A0A3Q0KSN0_SCHMA Loading...

Coiled-coil domain-containing protein 142 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,434 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low34.1Very low195 Ų195131.6 Ų131.696%0.96162%0.621SS**  0-57.70-96.1176.3168.700113.2S3 V4 I5M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.7Å; M1-V4 WeakPolarHBondContact O-CA 3.2Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 2.77Å; M1-I5 PolarHBondContact O-N 3.2Å
2Y26.7Very low34.5Very low205 Ų205125.6 Ų125.680%0.80461%0.61SS**Hα-helixtrans-54.4-40.9-176.5-133.9-89000114.6V4 I5 Y6Y2-V4 PolarHBondContact O-N 2.87Å; Y2-I5 PolarHBondContact O-N 3.21Å; Y2-Y6 VanDerWaalsContact O-CB 3.23Å; Y2-Y6 WeakPolarHBondContact O-CB 3.46Å; Y2-Y6 PolarHBondContact O-N 2.8Å
3S28.4Very low34.8Very low73 Ų73125 Ų12551%0.5161%0.612SS.*Hα-helixtrans-64.9-34.5174.3170.40000113.5M1 R7M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.7Å; S3-R7 WeakPolarHBondContact O-CB 3.39Å; S3-R7 VanDerWaalsContact O-CG 3.28Å; S3-R7 WeakPolarHBondContact O-CG 3.46Å; S3-R7 PolarHBondContact O-N 3.11Å
4V36.2Very low35Very low84 Ų84125.1 Ų125.151%0.50961%0.607SS.*Hα-helixtrans-73.5-44.7178.2178.60000110M1 Y2 Y6 R7 M8M1-V4 WeakPolarHBondContact O-CA 3.2Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 2.77Å; Y2-V4 PolarHBondContact O-N 2.87Å; V4-Y6 VanDerWaalsContact C-N 3.34Å; V4-Y6 PolarHBondContact O-N 3.28Å; V4-R7 PolarHBondContact O-N 3.45Å; V4-M8 HydrophobicContact CG1-CG 4.44Å; V4-M8 HydrophobicContact CG1-SD 4.07Å; V4-M8 WeakPolarHBondContact O-CB 3.48Å; V4-M8 WeakPolarHBondContact O-CG 3.31Å; V4-M8 PolarHBondContact O-N 2.64Å
5I31.5Very low35.3Very low95 Ų95121.9 Ų121.949%0.48759%0.594SS.*Hα-helixtrans-62.7-42.5175-63.8170.2000110.3M1 Y2 R7 M8 N9M1-I5 PolarHBondContact O-N 3.2Å; Y2-I5 PolarHBondContact O-N 3.21Å; I5-R7 PolarHBondContact O-N 3.17Å; I5-M8 PolarHBondContact O-N 3.45Å; I5-N9 WeakPolarHBondContact O-CB 3.04Å; I5-N9 PolarHBondContact O-N 3.19Å
6Y37.9Very low35.7Very low149 Ų149115.4 Ų115.458%0.58457%0.568SS**Hα-helixtrans-62.6-42.1175.4-174.5-97.1000112Y2 V4 K10Y2-Y6 VanDerWaalsContact O-CB 3.23Å; Y2-Y6 WeakPolarHBondContact O-CB 3.46Å; Y2-Y6 PolarHBondContact O-N 2.8Å; V4-Y6 VanDerWaalsContact C-N 3.34Å; V4-Y6 PolarHBondContact O-N 3.28Å; Y6-K10 HydrophobicContact CE1-CD 4.35Å; Y6-K10 WeakPolarHBondContact O-CB 3.43Å; Y6-K10 PolarHBondContact O-N 3.45Å
7R35.1Very low35.9Very low180 Ų180115.1 Ų115.168%0.67956%0.562SS**Hα-helixtrans-67.9-39.7175.6-77.1179.8-177.6-168.70.8112.6S3 V4 I5 K10 L11S3-R7 WeakPolarHBondContact O-CB 3.39Å; S3-R7 VanDerWaalsContact O-CG 3.28Å; S3-R7 WeakPolarHBondContact O-CG 3.46Å; S3-R7 PolarHBondContact O-N 3.11Å; V4-R7 PolarHBondContact O-N 3.45Å; I5-R7 PolarHBondContact O-N 3.17Å; R7-K10 PolarHBondContact O-N 3.43Å; R7-L11 WeakPolarHBondContact O-CB 3.26Å; R7-L11 PolarHBondContact O-N 3.01Å
8M35.7Very low36.3Very low127 Ų127113.2 Ų113.263%0.62655%0.552SS**Hα-helixtrans-66.1-41.8175.7-73.1179.586.300111.3V4 I5 K10 L11 A12V4-M8 HydrophobicContact CG1-CG 4.44Å; V4-M8 HydrophobicContact CG1-SD 4.07Å; V4-M8 WeakPolarHBondContact O-CB 3.48Å; V4-M8 WeakPolarHBondContact O-CG 3.31Å; V4-M8 PolarHBondContact O-N 2.64Å; I5-M8 PolarHBondContact O-N 3.45Å; M8-K10 VanDerWaalsContact C-N 3.34Å; M8-K10 PolarHBondContact O-N 2.58Å; M8-L11 PolarHBondContact O-N 3.11Å; M8-A12 WeakPolarHBondContact O-CB 3.42Å; M8-A12 PolarHBondContact O-N 3.1Å
9N36.8Very low36.6Very low97 Ų97114.6 Ų114.652%0.51955%0.551SS.*Hα-helixtrans-64.3-38.1172.7-84.1-7.3000112I5 N13I5-N9 WeakPolarHBondContact O-CB 3.04Å; I5-N9 PolarHBondContact O-N 3.19Å; N9-N13 VanDerWaalsContact O-CB 3.26Å; N9-N13 WeakPolarHBondContact O-CB 3.4Å; N9-N13 VanDerWaalsContact O-CG 3.23Å; N9-N13 PolarHBondContact O-N 3.25Å; N9-N13 PolarHBondContact O-ND2 2.93Å
10K37.2Very low37Very low135 Ų135109.9 Ų109.959%0.58753%0.529SS*.Hα-helixtrans-66.3-39175.8-143.5179.8-172.8-176.50111.7Y6 R7 M8 F14Y6-K10 HydrophobicContact CE1-CD 4.35Å; Y6-K10 WeakPolarHBondContact O-CB 3.43Å; Y6-K10 PolarHBondContact O-N 3.45Å; R7-K10 PolarHBondContact O-N 3.43Å; M8-K10 VanDerWaalsContact C-N 3.34Å; M8-K10 PolarHBondContact O-N 2.58Å; K10-F14 WeakPolarHBondContact O-CB 3.44Å; K10-F14 PolarHBondContact O-N 3Å
11L37.1Very low37.3Very low108 Ų108109.3 Ų109.357%0.56553%0.525SS*.Hα-helixtrans-69.2-43.9176.6-162.780000111.5R7 M8 N13 F14 I15R7-L11 WeakPolarHBondContact O-CB 3.26Å; R7-L11 PolarHBondContact O-N 3.01Å; M8-L11 PolarHBondContact O-N 3.11Å; L11-N13 PolarHBondContact O-N 3.06Å; L11-F14 PolarHBondContact O-N 3.32Å; L11-F14 VanDerWaalsContact O-N 3.17Å; L11-I15 HydrophobicContact CD2-CD1 4.33Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.06Å
12A39.1Very low38Very low59 Ų59104.3 Ų104.349%0.48850%0.497SS..Hα-helixtrans-62.1-42.2175.200000111.7M8 F14 G16M8-A12 WeakPolarHBondContact O-CB 3.42Å; M8-A12 PolarHBondContact O-N 3.1Å; A12-F14 VanDerWaalsContact C-N 3.32Å; A12-F14 PolarHBondContact O-N 2.99Å; A12-G16 PolarHBondContact O-N 3.01Å
13N38.1Very low38.9Very low118 Ų11898.9 Ų98.963%0.63148%0.477SS*.Hα-helixtrans-66.1-33174.1-76.1-13.1000112.5N9 L11 K17N9-N13 VanDerWaalsContact O-CB 3.26Å; N9-N13 WeakPolarHBondContact O-CB 3.4Å; N9-N13 VanDerWaalsContact O-CG 3.23Å; N9-N13 PolarHBondContact O-N 3.25Å; N9-N13 PolarHBondContact O-ND2 2.93Å; L11-N13 PolarHBondContact O-N 3.06Å; N13-K17 WeakPolarHBondContact O-CB 3.48Å; N13-K17 PolarHBondContact O-N 2.62Å; N13-K17 VanDerWaalsContact O-N 3.09Å
14F37Very low39.6Very low126 Ų12696.2 Ų96.255%0.55346%0.457SS*.Hα-helixtrans-70.9-47.5176.4-166.1-90.8000111.6K10 L11 A12 G16 K17 E18K10-F14 WeakPolarHBondContact O-CB 3.44Å; K10-F14 PolarHBondContact O-N 3Å; L11-F14 PolarHBondContact O-N 3.32Å; L11-F14 VanDerWaalsContact O-N 3.17Å; A12-F14 VanDerWaalsContact C-N 3.32Å; A12-F14 PolarHBondContact O-N 2.99Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.45Å; F14-K17 PolarHBondContact O-N 2.78Å; F14-K17 VanDerWaalsContact O-N 3.14Å; F14-E18 HydrophobicContact CE1-CG 4.33Å; F14-E18 PolarHBondContact O-N 2.98Å; F14-E18 VanDerWaalsContact O-N 3.12Å
15I39.5Very low40.1Very low78 Ų7895.2 Ų95.240%0.445%0.446SS..Hα-helixtrans-64.1-39.3177-65.3166.9000110.9L11 K17 R19L11-I15 HydrophobicContact CD2-CD1 4.33Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.06Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3.42Å; I15-R19 WeakPolarHBondContact O-CB 3.03Å; I15-R19 PolarHBondContact O-N 3.04Å; I15-R19 VanDerWaalsContact O-N 3.09Å
16G42.2Very low40.8Very low18 Ų1892.4 Ų92.419%0.18644%0.437CS..Hα-helixtrans-63.5-35.1173.500000113.1A12 F14 D20 R103A12-G16 PolarHBondContact O-N 3.01Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.45Å; G16-D20 WeakPolarHBondContact O-CB 3.22Å; G16-D20 PolarHBondContact O-N 2.88Å; G16-R103 PolarHBondContact O-NH1 2.93Å
17K38.6Very low41.2Very low109 Ų10986.1 Ų86.147%0.47442%0.415SS..Hα-helixtrans-68.4-48175.9-90.9-171.5172.1-169.40112.5N13 F14 I15 D20 E21N13-K17 WeakPolarHBondContact O-CB 3.48Å; N13-K17 PolarHBondContact O-N 2.62Å; N13-K17 VanDerWaalsContact O-N 3.09Å; F14-K17 PolarHBondContact O-N 2.78Å; F14-K17 VanDerWaalsContact O-N 3.14Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3.42Å; K17-D20 PolarHBondContact O-N 3.42Å; K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 PolarHBondContact O-N 3.21Å
18E43.3Very low41.6Very low81 Ų8177.9 Ų77.938%0.37938%0.384SS..Hα-helixtrans-65.8-41.5-179.9-78.1-171.7162.800112.5F14 D20 E21 Y22F14-E18 HydrophobicContact CE1-CG 4.33Å; F14-E18 PolarHBondContact O-N 2.98Å; F14-E18 VanDerWaalsContact O-N 3.12Å; E18-D20 VanDerWaalsContact C-N 3.26Å; E18-D20 PolarHBondContact O-N 3.24Å; E18-E21 PolarHBondContact O-N 2.75Å; E18-Y22 WeakPolarHBondContact O-CB 3.42Å; E18-Y22 WeakPolarHBondContact O-CD2 3.45Å; E18-Y22 PolarHBondContact O-N 2.92Å
19R42.5Very low42Very low140 Ų14073.9 Ų73.953%0.52837%0.368SS..Hα-helixtrans-59.3-40.2177.5-172.3-177.8-174.5-167.51.9111.7I15 K23I15-R19 WeakPolarHBondContact O-CB 3.03Å; I15-R19 PolarHBondContact O-N 3.04Å; I15-R19 VanDerWaalsContact O-N 3.09Å; R19-K23 PolarHBondContact O-N 3.29Å
20D43.5Very low42.3Very low21 Ų2172 Ų7211%0.11237%0.366CS..Hα-helixtrans-77.6-37-178.3-79.331.1000112.3G16 K17 E18 Y22 K23 L24 F100 R103G16-D20 WeakPolarHBondContact O-CB 3.22Å; G16-D20 PolarHBondContact O-N 2.88Å; K17-D20 PolarHBondContact O-N 3.42Å; E18-D20 VanDerWaalsContact C-N 3.26Å; E18-D20 PolarHBondContact O-N 3.24Å; D20-Y22 VanDerWaalsContact C-N 3.26Å; D20-Y22 PolarHBondContact O-N 2.72Å; D20-K23 PolarHBondContact O-N 3.28Å; D20-L24 WeakPolarHBondContact O-CB 3.46Å; D20-L24 PolarHBondContact O-N 3.41Å; D20-F100 HydrophobicContact CB-CD1 4.01Å; D20-F100 HydrophobicContact CB-CE1 3.82Å; D20-F100 WeakPolarHBondContact O-CE1 3.4Å; D20-R103 IonicContact OD1-CZ 3.82Å; D20-R103 IonicContact OD1-NH1 2.99Å; D20-R103 PolarHBondContact OD1-NH1 2.95Å; D20-R103 WeakPolarHBondContact OD2-CD 3.35Å; D20-R103 IonicContact OD2-CZ 2.84Å; D20-R103 IonicContact OD2-NE 3.08Å; D20-R103 PolarHBondContact OD2-NE 2.91Å; D20-R103 VanDerWaalsContact OD2-NE 3.08Å; D20-R103 IonicContact OD2-NH1 2.68Å; D20-R103 PolarHBondContact OD2-NH1 3.22Å; D20-R103 IonicContact OD2-NH2 3.58Å
21E44.3Very low42.6Very low97 Ų9766.5 Ų66.545%0.45335%0.347SS..Hα-helixtrans-61.9-37.4172.1-157.5-169.7148.500111.3K17 E18 K25K17-E21 WeakPolarHBondContact O-CB 3.43Å; K17-E21 PolarHBondContact O-N 3.21Å; E18-E21 PolarHBondContact O-N 2.75Å; E21-K25 WeakPolarHBondContact O-CG 3.29Å; E21-K25 PolarHBondContact O-N 3.22Å; E21-K25 WeakPolarHBondContact OE1-CE 3.45Å; E21-K25 IonicContact OE1-NZ 3.19Å; E21-K25 PolarHBondContact OE1-NZ 3.41Å
22Y48.1Very low42.8Very low91 Ų9163.1 Ų63.136%0.35733%0.329SS..Hα-helixtrans-69.7-42.7174.3-99.7-81.2000113.4E18 D20 L24 K25 A26 F1110 P1116E18-Y22 WeakPolarHBondContact O-CB 3.42Å; E18-Y22 WeakPolarHBondContact O-CD2 3.45Å; E18-Y22 PolarHBondContact O-N 2.92Å; D20-Y22 VanDerWaalsContact C-N 3.26Å; D20-Y22 PolarHBondContact O-N 2.72Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 2.68Å; Y22-K25 PolarHBondContact O-N 3.05Å; Y22-A26 WeakPolarHBondContact O-CB 3.33Å; Y22-A26 PolarHBondContact O-N 2.93Å; Y22-F1110 AromaticContact CD1-CE1 3.49Å; Y22-F1110 HydrophobicContact CD1-CE1 3.49Å; Y22-F1110 VanDerWaalsContact CD1-CE1 3.49Å; Y22-F1110 AromaticContact CD1-CZ 3.65Å; Y22-F1110 HydrophobicContact CD1-CZ 3.65Å; Y22-F1110 HydrophobicContact CE1-CD1 4.22Å; Y22-F1110 AromaticContact CE1-CE1 3.4Å; Y22-F1110 HydrophobicContact CE1-CE1 3.4Å; Y22-F1110 VanDerWaalsContact CE1-CE1 3.4Å; Y22-F1110 AromaticContact CE1-CZ 3.99Å; Y22-F1110 HydrophobicContact CE1-CZ 3.99Å; Y22-F1110 HydrophobicContact CG-CE1 4.17Å; Y22-F1110 HydrophobicContact CG-CZ 4.35Å; Y22-P1116 HydrophobicContact CD1-CG 4.44Å; Y22-P1116 HydrophobicContact CD2-CB 4.34Å; Y22-P1116 HydrophobicContact CD2-CG 3.53Å; Y22-P1116 HydrophobicContact CE2-CB 4.46Å; Y22-P1116 HydrophobicContact CE2-CG 3.75Å; Y22-P1116 HydrophobicContact CG-CG 3.89Å
23K45.3Very low43Very low91 Ų9165.3 Ų65.340%0.39634%0.337SS..Hα-helixtrans-61.2-42.3173.5-77.2-175171.8-172.70110.8R19 D20 K25 A26 S27 F100R19-K23 PolarHBondContact O-N 3.29Å; D20-K23 PolarHBondContact O-N 3.28Å; K23-K25 PolarHBondContact O-N 3.09Å; K23-A26 PolarHBondContact O-N 3.22Å; K23-S27 VanDerWaalsContact O-CB 3.29Å; K23-S27 WeakPolarHBondContact O-CB 3.35Å; K23-S27 PolarHBondContact O-N 3.49Å; K23-S27 PolarHBondContact O-OG 3.01Å; K23-F100 HydrophobicContact CB-CE1 3.89Å; K23-F100 HydrophobicContact CB-CZ 3.49Å; K23-F100 VanDerWaalsContact CB-CZ 3.49Å; K23-F100 HydrophobicContact CD-CZ 4.36Å
24L43.7Very low43.1Very low16 Ų1665.9 Ų65.98%0.08434%0.336CS..Hα-helixtrans-57.5-47.7174.5-174.671.3000111.3D20 Y22 S27 I28 I95 F100 L104D20-L24 WeakPolarHBondContact O-CB 3.46Å; D20-L24 PolarHBondContact O-N 3.41Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 2.68Å; L24-S27 PolarHBondContact O-N 2.71Å; L24-I28 HydrophobicContact CG-CD1 4.05Å; L24-I28 WeakPolarHBondContact O-CD1 3.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3.33Å; L24-I95 HydrophobicContact CD1-CG1 4.29Å; L24-F100 HydrophobicContact CB-CD1 4.35Å; L24-F100 HydrophobicContact CB-CE1 4.43Å; L24-F100 HydrophobicContact CD1-CB 4.24Å; L24-F100 HydrophobicContact CD1-CD2 3.96Å; L24-F100 HydrophobicContact CD1-CG 4.07Å; L24-L104 HydrophobicContact CD2-CD1 4.4Å
25K45.5Very low43.2Very low64 Ų6468 Ų6828%0.27834%0.344SS..Hα-helixtrans-63.5-43.2177.8-75.7173.6-173.5163.50113.1E21 Y22 K23 I28 C29E21-K25 WeakPolarHBondContact O-CG 3.29Å; E21-K25 PolarHBondContact O-N 3.22Å; E21-K25 WeakPolarHBondContact OE1-CE 3.45Å; E21-K25 IonicContact OE1-NZ 3.19Å; E21-K25 PolarHBondContact OE1-NZ 3.41Å; Y22-K25 PolarHBondContact O-N 3.05Å; K23-K25 PolarHBondContact O-N 3.09Å; K25-I28 PolarHBondContact O-N 2.71Å; K25-C29 PolarHBondContact O-N 3.23Å; K25-C29 VanDerWaalsContact O-N 3.13Å; K25-C29 PolarHBondContact O-SG 3.01Å
26A47Very low43.3Very low36 Ų3669.8 Ų69.830%0.29836%0.355SS..Hα-helixtrans-65.1-41.617700000111.5Y22 K23 C29 A30Y22-A26 WeakPolarHBondContact O-CB 3.33Å; Y22-A26 PolarHBondContact O-N 2.93Å; K23-A26 PolarHBondContact O-N 3.22Å; A26-C29 PolarHBondContact O-N 3.03Å; A26-A30 PolarHBondContact O-N 3.46Å
27S45.2Very low43.3Very low17 Ų1770.6 Ų70.612%0.11936%0.355CS..Hα-helixtrans-66.4-35.4175.9-64.40000112.8K23 L24 A30 G31 H94K23-S27 VanDerWaalsContact O-CB 3.29Å; K23-S27 WeakPolarHBondContact O-CB 3.35Å; K23-S27 PolarHBondContact O-N 3.49Å; K23-S27 PolarHBondContact O-OG 3.01Å; L24-S27 PolarHBondContact O-N 2.71Å; S27-A30 PolarHBondContact O-N 3.16Å; S27-G31 PolarHBondContact O-N 2.88Å; S27-H94 VanDerWaalsContact CB-CD2 3.45Å; S27-H94 WeakPolarHBondContact CB-CD2 3.41Å; S27-H94 PolarHBondContact OG-CD2 3.39Å; S27-H94 PolarHBondContact OG-NE2 2.76Å
28I43Very low43.6Very low6 Ų672.4 Ų72.43%0.03137%0.365CS..Hα-helixtrans-59.6-46.1170.9-71158.3000110.7L24 K25 A30 G31 I32 L54 I59 F91L24-I28 HydrophobicContact CG-CD1 4.05Å; L24-I28 WeakPolarHBondContact O-CD1 3.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3.33Å; K25-I28 PolarHBondContact O-N 2.71Å; I28-A30 PolarHBondContact O-N 3.24Å; I28-G31 PolarHBondContact O-N 3.44Å; I28-I32 HydrophobicContact CG2-CD1 3.74Å; I28-I32 VanDerWaalsContact O-CG1 3.3Å; I28-I32 WeakPolarHBondContact O-CG1 3.45Å; I28-I32 PolarHBondContact O-N 3.37Å; I28-I32 VanDerWaalsContact O-N 3.15Å; I28-L54 HydrophobicContact CG2-CD1 3.75Å; I28-I59 HydrophobicContact CD1-CD1 3.48Å; I28-I59 VanDerWaalsContact CD1-CD1 3.48Å; I28-I59 HydrophobicContact CD1-CG1 4.04Å; I28-F91 VanDerWaalsContact CA-CE2 3.44Å; I28-F91 HydrophobicContact CB-CE2 4.1Å; I28-F91 HydrophobicContact CB-CZ 4.28Å; I28-F91 HydrophobicContact CG1-CE2 3.61Å; I28-F91 HydrophobicContact CG1-CZ 3.49Å; I28-F91 VanDerWaalsContact CG1-CZ 3.49Å
29C44.9Very low43.7Very low44 Ų4472.5 Ų72.530%0.29737%0.373SS..Hα-helixtrans-65.4-38.5178.3-62.70000112.2K25 A26 T33K25-C29 PolarHBondContact O-N 3.23Å; K25-C29 VanDerWaalsContact O-N 3.13Å; K25-C29 PolarHBondContact O-SG 3.01Å; A26-C29 PolarHBondContact O-N 3.03Å; C29-T33 WeakPolarHBondContact O-CG2 3.39Å; C29-T33 PolarHBondContact O-N 3Å; C29-T33 PolarHBondContact O-OG1 3.03Å
30A43.6Very low43.7Very low57 Ų5767.1 Ų67.147%0.47135%0.354SS..Hα-helixtrans-68.9-39.2177.200000112.8A26 S27 I28 T33A26-A30 PolarHBondContact O-N 3.46Å; S27-A30 PolarHBondContact O-N 3.16Å; I28-A30 PolarHBondContact O-N 3.24Å; A30-T33 PolarHBondContact O-OG1 2.98Å
31G42.3Very low43.9Very low19 Ų1971.3 Ų71.320%0.19637%0.373CS..Hα-helixtrans-66-38.7177.300000113.2S27 I28S27-G31 PolarHBondContact O-N 2.88Å; I28-G31 PolarHBondContact O-N 3.44Å
32I42.9Very low44Very low37 Ų3773.3 Ų73.319%0.1938%0.383CS..Hα-helixtrans-71.9-29.8-179.3-68.9168.8000112.2I28 H34 L40 L44 L54 F62I28-I32 HydrophobicContact CG2-CD1 3.74Å; I28-I32 VanDerWaalsContact O-CG1 3.3Å; I28-I32 WeakPolarHBondContact O-CG1 3.45Å; I28-I32 PolarHBondContact O-N 3.37Å; I28-I32 VanDerWaalsContact O-N 3.15Å; I32-H34 VanDerWaalsContact C-N 3.3Å; I32-H34 PolarHBondContact O-N 2.86Å; I32-L40 HydrophobicContact CG2-CD2 3.79Å; I32-L44 HydrophobicContact CG2-CD1 4.25Å; I32-L54 HydrophobicContact CD1-CD1 4.47Å; I32-F62 HydrophobicContact CD1-CZ 4.46Å; I32-F62 HydrophobicContact CG1-CZ 4.17Å
33T42.8Very low43.6Very low106 Ų10673.1 Ų73.165%0.6539%0.387SS*.THydrogen-bonded Turntrans-79.6-8.9-178.144.50000114C29 A30 K35C29-T33 WeakPolarHBondContact O-CG2 3.39Å; C29-T33 PolarHBondContact O-N 3Å; C29-T33 PolarHBondContact O-OG1 3.03Å; A30-T33 PolarHBondContact O-OG1 2.98Å; T33-K35 PolarHBondContact O-N 3.33Å; T33-K35 VanDerWaalsContact O-N 3.07Å
34H39.2Very low43.4Very low129 Ų12972.2 Ų72.260%0.59739%0.386SS*.SBendtrans-78.996.1179-123.2-67.1000111.9I32I32-H34 VanDerWaalsContact C-N 3.3Å; I32-H34 PolarHBondContact O-N 2.86Å
35K40.4Very low43.6Very low170 Ų17076.6 Ų76.674%0.73941%0.41SS*.SBendtrans37.2118.9159.6-68.8-176.1177178.80119T33T33-K35 PolarHBondContact O-N 3.33Å; T33-K35 VanDerWaalsContact O-N 3.07Å
36N41.5Very low43.5Very low117 Ų11780.3 Ų80.363%0.62643%0.431SS*.  trans87.715.2147.2-71.311.7000122.7H38 E83N36-H38 PolarHBondContact O-N 3.24Å; N36-E83 HydrophobicContact CB-CG 4.26Å
37N41Very low43.2Very low34 Ų3481.5 Ų81.518%0.18243%0.432CS..  trans-95101.2168-80.2-28.6000112.4P39 L40 K84N37-P39 VanDerWaalsContact C-CD 3.4Å; N37-L40 HydrophobicContact CB-CB 3.85Å; N37-L40 HydrophobicContact CB-CD1 3.44Å; N37-L40 VanDerWaalsContact CB-CD1 3.44Å; N37-L40 HydrophobicContact CB-CG 4.19Å; N37-L40 WeakPolarHBondContact O-CB 3.48Å; N37-L40 PolarHBondContact O-N 3.16Å; N37-K84 PolarHBondContact ND2-O 2.98Å; N37-K84 WeakPolarHBondContact OD1-CA 3.47Å; N37-K84 VanDerWaalsContact OD1-CG 3.3Å; N37-K84 WeakPolarHBondContact OD1-CG 3.31Å; N37-K84 PolarHBondContact OD1-O 2.76Å
38H46.6Very low42.8Very low147 Ų14786.4 Ų86.468%0.68146%0.457SS*.Hα-helixtrans-59.8-33.9178.5-142-62.4000115.2N36 L40 Q41N36-H38 PolarHBondContact O-N 3.24Å; H38-L40 PolarHBondContact O-N 3.08Å; H38-Q41 PolarHBondContact O-N 3.11Å
39P43.5Very low42.7Very low83 Ų8393.6 Ų93.654%0.53950%0.495SS..Hα-helixtrans-67.3-23.9173.7-16.529.1000113N37 Q41N37-P39 VanDerWaalsContact C-CD 3.4Å; P39-Q41 VanDerWaalsContact C-N 3.31Å
40L44Very low42.3Very low27 Ų2797.9 Ų97.914%0.14151%0.511CS..Hα-helixtrans-76.5-22.3-178.9-107.4157.7000111.9I32 N37 H38 L44 F62I32-L40 HydrophobicContact CG2-CD2 3.79Å; N37-L40 HydrophobicContact CB-CB 3.85Å; N37-L40 HydrophobicContact CB-CD1 3.44Å; N37-L40 VanDerWaalsContact CB-CD1 3.44Å; N37-L40 HydrophobicContact CB-CG 4.19Å; N37-L40 WeakPolarHBondContact O-CB 3.48Å; N37-L40 PolarHBondContact O-N 3.16Å; H38-L40 PolarHBondContact O-N 3.08Å; L40-L44 PolarHBondContact O-N 3.2Å; L40-F62 HydrophobicContact CD1-CE2 4.42Å; L40-F62 HydrophobicContact CD2-CD2 4.29Å; L40-F62 HydrophobicContact CD2-CE2 3.45Å; L40-F62 VanDerWaalsContact CD2-CE2 3.45Å; L40-F62 HydrophobicContact CD2-CZ 4.18Å; L40-F62 HydrophobicContact CG-CE2 4.17Å
41Q47.3Very low41.9Very low110 Ų11098.3 Ų98.351%0.51451%0.51SS..Hα-helixtrans-76.6-33.4179.7-147.1162.90.800112H38 P39 L43 L44 D45H38-Q41 PolarHBondContact O-N 3.11Å; P39-Q41 VanDerWaalsContact C-N 3.31Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-L43 PolarHBondContact O-N 3.02Å; Q41-L44 WeakPolarHBondContact O-CB 3.4Å; Q41-L44 PolarHBondContact O-N 3.13Å; Q41-L44 VanDerWaalsContact O-N 3.14Å; Q41-D45 PolarHBondContact O-N 3.1Å
42E46.4Very low41.9Very low139 Ų139100.7 Ų100.765%0.6552%0.518SS*.Hα-helixtrans-66.2-34.2174.8-74-174161.900112.7L44 D45 I46E42-L44 VanDerWaalsContact C-N 3.33Å; E42-D45 PolarHBondContact O-N 3.29Å; E42-I46 WeakPolarHBondContact O-CG1 3.42Å; E42-I46 PolarHBondContact O-N 3.48Å
43L40.4Very low41.7Very low86 Ų86108.6 Ų108.645%0.4555%0.545SS..Hα-helixtrans-70.4-30.4173.3-108.1157.8000112.3Q41 L65Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-L43 PolarHBondContact O-N 3.02Å; L43-L65 HydrophobicContact CD1-CD1 3.77Å
44L40.3Very low41.8Very low73 Ų73105.7 Ų105.738%0.38253%0.526SS..Hα-helixtrans-72.8-40.1171.9-78.3164.7000111.7I32 L40 Q41 E42 I46 N47 L48I32-L44 HydrophobicContact CG2-CD1 4.25Å; L40-L44 PolarHBondContact O-N 3.2Å; Q41-L44 WeakPolarHBondContact O-CB 3.4Å; Q41-L44 PolarHBondContact O-N 3.13Å; Q41-L44 VanDerWaalsContact O-N 3.14Å; E42-L44 VanDerWaalsContact C-N 3.33Å; L44-I46 VanDerWaalsContact C-N 3.27Å; L44-I46 PolarHBondContact O-N 3.27Å; L44-N47 CarbonylContact O-C 3.56Å; L44-N47 PolarHBondContact O-N 3.38Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.18Å
45D46.9Very low42.6Very low107 Ų107101.8 Ų101.857%0.57251%0.513SS*.Hα-helixtrans-65.4-31-178.2-77.3-15.5000112.4Q41 E42 N47Q41-D45 PolarHBondContact O-N 3.1Å; E42-D45 PolarHBondContact O-N 3.29Å; D45-N47 VanDerWaalsContact C-N 3.34Å
46I44.9Very low43.3Very low143 Ų14396.5 Ų96.573%0.73350%0.495SS*.Hα-helixtrans-76.3-22.2175.8-63.5171.5000112E42 L44E42-I46 WeakPolarHBondContact O-CG1 3.42Å; E42-I46 PolarHBondContact O-N 3.48Å; L44-I46 VanDerWaalsContact C-N 3.27Å; L44-I46 PolarHBondContact O-N 3.27Å
47N40.2Very low44.2Very low60 Ų6096 Ų9632%0.32149%0.492SS..Hα-helixtrans-123.415.4-170.5-86.6-19.2000115.9L44 D45 N49 H50 S51L44-N47 CarbonylContact O-C 3.56Å; L44-N47 PolarHBondContact O-N 3.38Å; D45-N47 VanDerWaalsContact C-N 3.34Å; N47-N49 PolarHBondContact O-N 3Å; N47-H50 PolarHBondContact O-N 3.08Å; N47-S51 PolarHBondContact O-N 2.95Å
48L37.6Very low45.2Very low120 Ų12097.4 Ų97.463%0.62850%0.498SS*.THydrogen-bonded Turntrans-52-21.7179.2-97.3157.5000115L44L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.18Å
49N39.4Very low45.7Very low158 Ų15891.1 Ų91.185%0.84547%0.469SS*.THydrogen-bonded Turntrans-93.3-5.8177-74.2-22.8000115.2N47N47-N49 PolarHBondContact O-N 3Å
50H36.4Very low46.5Very low134 Ų13490.2 Ų90.262%0.6246%0.456SS*.THydrogen-bonded Turntrans-134.919.9-176.2-80.4-33.7000114.9N47 L52 R53N47-H50 PolarHBondContact O-N 3.08Å; H50-L52 PolarHBondContact O-N 3.47Å; H50-R53 PolarHBondContact O-N 3.48Å
51S36.7Very low47.6Very low65 Ų6592.7 Ų92.746%0.45547%0.473SS..THydrogen-bonded Turntrans-54.4-5.8-178.357.70000116.8N47N47-S51 PolarHBondContact O-N 2.95Å
52L41.1Very low48.6Very low70 Ų7088.9 Ų88.937%0.36645%0.454SS..THydrogen-bonded Turntrans-102.30.3175.5-72.7163.1000115.1H50 H1108 L1109H50-L52 PolarHBondContact O-N 3.47Å; L52-H1108 WeakPolarHBondContact CD1-O 3.29Å; L52-L1109 HydrophobicContact CD2-CB 4.44Å; L52-L1109 HydrophobicContact CD2-CD2 3.28Å; L52-L1109 HydrophobicContact CD2-CG 3.97Å
53R40.3Very low49.5Very low202 Ų20282.6 Ų82.676%0.76243%0.425SS*.  trans-127.448.2176.3-69.8-172.7177.7179-0111.5H50 S55H50-R53 PolarHBondContact O-N 3.48Å; R53-S55 VanDerWaalsContact C-N 3.3Å; R53-S55 PolarHBondContact O-N 3.08Å
54L44.8Very low50.8Low45 Ų4580.9 Ų80.924%0.23642%0.42CS..  trans-55.7102.8160.6-77.8167000107.4I28 I32 E58 I59I28-L54 HydrophobicContact CG2-CD1 3.75Å; I32-L54 HydrophobicContact CD1-CD1 4.47Å; L54-E58 WeakPolarHBondContact CA-OE2 3.32Å; L54-E58 HydrophobicContact CB-CB 4.48Å; L54-E58 HydrophobicContact CD2-CB 3.74Å; L54-E58 HydrophobicContact CD2-CG 4.48Å; L54-E58 WeakPolarHBondContact CD2-OE2 3.43Å; L54-I59 HydrophobicContact CB-CG1 4.17Å
55S54.6Low52.3Low47 Ų4781 Ų8133%0.32942%0.421SS..  trans-61.3154.5175.161.30000108.9R53 N57 E58 I59R53-S55 VanDerWaalsContact C-N 3.3Å; R53-S55 PolarHBondContact O-N 3.08Å; S55-N57 PolarHBondContact O-N 3.45Å; S55-E58 WeakPolarHBondContact CB-OE1 3.45Å; S55-E58 PolarHBondContact N-OE1 2.67Å; S55-E58 WeakPolarHBondContact O-CA 3.13Å; S55-E58 WeakPolarHBondContact O-CB 3.27Å; S55-E58 PolarHBondContact O-N 3.21Å; S55-E58 WeakPolarHBondContact OG-CG 3.33Å; S55-E58 PolarHBondContact OG-N 2.92Å; S55-E58 VanDerWaalsContact OG-N 3.11Å; S55-E58 PolarHBondContact OG-OE1 2.97Å; S55-I59 PolarHBondContact O-N 3.36Å
56V54.5Low53.3Low59 Ų5976.5 Ų76.536%0.35840%0.397SS..Hα-helixtrans-51.2-32.8171.3168.30000110.7K60 M112V56-K60 VanDerWaalsContact O-CB 3.29Å; V56-K60 WeakPolarHBondContact O-CB 3.49Å; V56-K60 PolarHBondContact O-N 3Å; V56-M112 HydrophobicContact CB-CE 4.27Å; V56-M112 HydrophobicContact CG1-CE 3.79Å; V56-M112 HydrophobicContact CG2-CE 4.12Å
57N60.7Low54.3Low106 Ų10670.4 Ų70.457%0.56737%0.366SS*.Hα-helixtrans-64.7-45.3171.9-75.9-20.4000112.8S55 I59 K60 T61S55-N57 PolarHBondContact O-N 3.45Å; N57-I59 PolarHBondContact O-N 3.29Å; N57-K60 CarbonylContact O-C 3.53Å; N57-K60 WeakPolarHBondContact O-CB 3.39Å; N57-K60 PolarHBondContact O-N 3.47Å; N57-T61 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-OG1 3.31Å
58E61.8Low55.8Low65 Ų6572.7 Ų72.730%0.30438%0.375SS..Hα-helixtrans-63.9-39.5175.9-75.7152.8-114.600112.6L54 S55 K60 T61 F62L54-E58 WeakPolarHBondContact CA-OE2 3.32Å; L54-E58 HydrophobicContact CB-CB 4.48Å; L54-E58 HydrophobicContact CD2-CB 3.74Å; L54-E58 HydrophobicContact CD2-CG 4.48Å; L54-E58 WeakPolarHBondContact CD2-OE2 3.43Å; S55-E58 WeakPolarHBondContact CB-OE1 3.45Å; S55-E58 PolarHBondContact N-OE1 2.67Å; S55-E58 WeakPolarHBondContact O-CA 3.13Å; S55-E58 WeakPolarHBondContact O-CB 3.27Å; S55-E58 PolarHBondContact O-N 3.21Å; S55-E58 WeakPolarHBondContact OG-CG 3.33Å; S55-E58 PolarHBondContact OG-N 2.92Å; S55-E58 VanDerWaalsContact OG-N 3.11Å; S55-E58 PolarHBondContact OG-OE1 2.97Å; E58-K60 VanDerWaalsContact C-N 3.32Å; E58-T61 PolarHBondContact O-N 3.27Å; E58-F62 VanDerWaalsContact O-CB 3.22Å; E58-F62 WeakPolarHBondContact O-CB 3.33Å; E58-F62 PolarHBondContact O-N 3.17Å
59I57.8Low57.3Low14 Ų1469.3 Ų69.37%0.07236%0.357CS..Hα-helixtrans-63.4-42173.4-61.8163.6000109.9I28 L54 S55 N57 F62 L63 M112I28-I59 HydrophobicContact CD1-CD1 3.48Å; I28-I59 VanDerWaalsContact CD1-CD1 3.48Å; I28-I59 HydrophobicContact CD1-CG1 4.04Å; L54-I59 HydrophobicContact CB-CG1 4.17Å; S55-I59 PolarHBondContact O-N 3.36Å; N57-I59 PolarHBondContact O-N 3.29Å; I59-F62 WeakPolarHBondContact O-CB 3.19Å; I59-F62 PolarHBondContact O-N 2.75Å; I59-L63 HydrophobicContact CG2-CD1 4.07Å; I59-L63 HydrophobicContact CG2-CG 4.37Å; I59-L63 WeakPolarHBondContact O-CB 3.48Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 3.04Å; I59-M112 HydrophobicContact CB-CE 4.13Å; I59-M112 HydrophobicContact CD1-CE 4.02Å; I59-M112 HydrophobicContact CG2-CE 3.93Å; I59-M112 HydrophobicContact CG2-CG 4.35Å; I59-M112 HydrophobicContact CG2-SD 3.97Å
60K61.2Low58.7Low64 Ų6462 Ų6228%0.27832%0.319SS..Hα-helixtrans-61.1-48174.1177.1-173173.8-1740111V56 N57 E58 F62 L63 S64 E111V56-K60 VanDerWaalsContact O-CB 3.29Å; V56-K60 WeakPolarHBondContact O-CB 3.49Å; V56-K60 PolarHBondContact O-N 3Å; N57-K60 CarbonylContact O-C 3.53Å; N57-K60 WeakPolarHBondContact O-CB 3.39Å; N57-K60 PolarHBondContact O-N 3.47Å; E58-K60 VanDerWaalsContact C-N 3.32Å; K60-F62 VanDerWaalsContact C-N 3.29Å; K60-F62 PolarHBondContact O-N 3.32Å; K60-L63 PolarHBondContact O-N 3.49Å; K60-S64 VanDerWaalsContact O-CB 3.32Å; K60-S64 WeakPolarHBondContact O-CB 3.34Å; K60-S64 PolarHBondContact O-N 3.28Å; K60-S64 PolarHBondContact O-OG 2.72Å; K60-S64 VanDerWaalsContact O-OG 3.07Å; K60-E111 WeakPolarHBondContact CE-OE2 3.43Å; K60-E111 IonicContact NZ-OE2 2.79Å; K60-E111 PolarHBondContact NZ-OE2 3.11Å
61T67.3Low60.2Low79 Ų7961.8 Ų61.849%0.48532%0.316SS..Hα-helixtrans-61.3-41.2177.6-47.30000110.6N57 E58 S64 L65N57-T61 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-OG1 3.31Å; E58-T61 PolarHBondContact O-N 3.27Å; T61-S64 PolarHBondContact O-N 3.13Å; T61-L65 HydrophobicContact CG2-CD1 4.13Å; T61-L65 WeakPolarHBondContact O-CB 3.41Å; T61-L65 VanDerWaalsContact O-CG 3.27Å; T61-L65 WeakPolarHBondContact O-CG 3.41Å; T61-L65 PolarHBondContact O-N 3.45Å
62F67.5Low61.5Low30 Ų3066.9 Ų66.913%0.13233%0.33CS..Hα-helixtrans-61.5-52.6174.9173.6-106.3000111.9I32 L40 E58 I59 K60 S64 L65 M66I32-F62 HydrophobicContact CD1-CZ 4.46Å; I32-F62 HydrophobicContact CG1-CZ 4.17Å; L40-F62 HydrophobicContact CD1-CE2 4.42Å; L40-F62 HydrophobicContact CD2-CD2 4.29Å; L40-F62 HydrophobicContact CD2-CE2 3.45Å; L40-F62 VanDerWaalsContact CD2-CE2 3.45Å; L40-F62 HydrophobicContact CD2-CZ 4.18Å; L40-F62 HydrophobicContact CG-CE2 4.17Å; E58-F62 VanDerWaalsContact O-CB 3.22Å; E58-F62 WeakPolarHBondContact O-CB 3.33Å; E58-F62 PolarHBondContact O-N 3.17Å; I59-F62 WeakPolarHBondContact O-CB 3.19Å; I59-F62 PolarHBondContact O-N 2.75Å; K60-F62 VanDerWaalsContact C-N 3.29Å; K60-F62 PolarHBondContact O-N 3.32Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 2.91Å; F62-L65 PolarHBondContact O-N 3.4Å; F62-M66 HydrophobicContact CD2-CG 4.31Å; F62-M66 HydrophobicContact CE1-CG 4.24Å; F62-M66 HydrophobicContact CE2-CG 3.84Å; F62-M66 HydrophobicContact CE2-SD 4.12Å; F62-M66 HydrophobicContact CZ-CG 3.83Å; F62-M66 HydrophobicContact CZ-SD 4.26Å; F62-M66 VanDerWaalsContact O-CG 3.27Å; F62-M66 WeakPolarHBondContact O-CG 3.16Å; F62-M66 PolarHBondContact O-N 2.97Å
63L65.4Low62.7Low7 Ų764.1 Ų64.14%0.03732%0.316CS..Hα-helixtrans-60.7-39.1176.8-69.8172.7000111.4I59 K60 M66 V67 M112 A115 L119I59-L63 HydrophobicContact CG2-CD1 4.07Å; I59-L63 HydrophobicContact CG2-CG 4.37Å; I59-L63 WeakPolarHBondContact O-CB 3.48Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 3.04Å; K60-L63 PolarHBondContact O-N 3.49Å; L63-M66 PolarHBondContact O-N 3.32Å; L63-V67 WeakPolarHBondContact O-CB 3.2Å; L63-V67 VanDerWaalsContact O-CG2 3.3Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 3.24Å; L63-M112 HydrophobicContact CD1-CG 4.06Å; L63-A115 HydrophobicContact CB-CB 3.93Å; L63-A115 HydrophobicContact CD1-CB 4.13Å; L63-L119 HydrophobicContact CD2-CD2 3.7Å
64S68.3Low63.9Low50 Ų5057.6 Ų57.635%0.3531%0.313SS..Hα-helixtrans-66.3-41.5175.4-68.30000112.9K60 T61 F62 M66 V67 E68K60-S64 VanDerWaalsContact O-CB 3.32Å; K60-S64 WeakPolarHBondContact O-CB 3.34Å; K60-S64 PolarHBondContact O-N 3.28Å; K60-S64 PolarHBondContact O-OG 2.72Å; K60-S64 VanDerWaalsContact O-OG 3.07Å; T61-S64 PolarHBondContact O-N 3.13Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 2.91Å; S64-M66 VanDerWaalsContact C-N 3.33Å; S64-V67 WeakPolarHBondContact O-CB 3.29Å; S64-V67 PolarHBondContact O-N 3.33Å; S64-E68 PolarHBondContact O-N 3.02Å
65L70.1Confident65.1Low75 Ų7556.1 Ų56.139%0.39331%0.305SS..Hα-helixtrans-64.2-39.2174.8-79.3166.2000111.5L43 T61 F62 E68 D69L43-L65 HydrophobicContact CD1-CD1 3.77Å; T61-L65 HydrophobicContact CG2-CD1 4.13Å; T61-L65 WeakPolarHBondContact O-CB 3.41Å; T61-L65 VanDerWaalsContact O-CG 3.27Å; T61-L65 WeakPolarHBondContact O-CG 3.41Å; T61-L65 PolarHBondContact O-N 3.45Å; F62-L65 PolarHBondContact O-N 3.4Å; L65-E68 PolarHBondContact O-N 3.11Å; L65-D69 WeakPolarHBondContact O-CB 2.97Å; L65-D69 PolarHBondContact O-N 2.9Å
66M68.6Low66Low13 Ų1357.6 Ų57.66%0.06431%0.309CS..Hα-helixtrans-67.3-37.5175.3-68.4-64-69.800112F62 L63 S64 D69 L70 V88 L119F62-M66 HydrophobicContact CD2-CG 4.31Å; F62-M66 HydrophobicContact CE1-CG 4.24Å; F62-M66 HydrophobicContact CE2-CG 3.84Å; F62-M66 HydrophobicContact CE2-SD 4.12Å; F62-M66 HydrophobicContact CZ-CG 3.83Å; F62-M66 HydrophobicContact CZ-SD 4.26Å; F62-M66 VanDerWaalsContact O-CG 3.27Å; F62-M66 WeakPolarHBondContact O-CG 3.16Å; F62-M66 PolarHBondContact O-N 2.97Å; L63-M66 PolarHBondContact O-N 3.32Å; S64-M66 VanDerWaalsContact C-N 3.33Å; M66-D69 PolarHBondContact O-N 2.81Å; M66-L70 WeakPolarHBondContact O-CB 3.14Å; M66-L70 PolarHBondContact O-N 3.48Å; M66-V88 HydrophobicContact CE-CB 4.39Å; M66-V88 HydrophobicContact CE-CG1 4.23Å; M66-V88 HydrophobicContact CE-CG2 3.27Å; M66-L119 HydrophobicContact CB-CD1 3.75Å
67V66.3Low67.1Low15 Ų1557 Ų579%0.09131%0.308CS..Hα-helixtrans-61.2-44.5170.7158.50000111L63 S64 K71 N118 L119 D122L63-V67 WeakPolarHBondContact O-CB 3.2Å; L63-V67 VanDerWaalsContact O-CG2 3.3Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 3.24Å; S64-V67 WeakPolarHBondContact O-CB 3.29Å; S64-V67 PolarHBondContact O-N 3.33Å; V67-K71 HydrophobicContact CG1-CD 4.35Å; V67-K71 WeakPolarHBondContact O-CG 3.46Å; V67-K71 PolarHBondContact O-N 3.27Å; V67-K71 VanDerWaalsContact O-N 3.13Å; V67-N118 HydrophobicContact CG2-CB 4.36Å; V67-L119 HydrophobicContact CG2-CB 3.87Å; V67-L119 HydrophobicContact CG2-CD1 3.82Å; V67-L119 HydrophobicContact CG2-CG 4.49Å; V67-D122 WeakPolarHBondContact CG1-OD2 3.23Å
68E71Confident67.9Low109 Ų10952.3 Ų52.351%0.50928%0.282SS..Hα-helixtrans-64-45.8175.1-76-175.5171.700111.7S64 L65 L70 K71 F72S64-E68 PolarHBondContact O-N 3.02Å; L65-E68 PolarHBondContact O-N 3.11Å; E68-L70 PolarHBondContact O-N 3.26Å; E68-K71 WeakPolarHBondContact O-CB 3.31Å; E68-K71 PolarHBondContact O-N 3.07Å; E68-K71 VanDerWaalsContact O-N 3.13Å; E68-F72 HydrophobicContact CB-CD2 4.31Å; E68-F72 HydrophobicContact CB-CE2 4.38Å; E68-F72 WeakPolarHBondContact O-CD2 3.29Å; E68-F72 PolarHBondContact O-N 2.91Å
69D70.8Confident68.6Low48 Ų4855.1 Ų55.126%0.25730%0.299SS..Hα-helixtrans-62.5-40.4178.3-178.661.6000111.9L65 M66 K71 F72 S73 K84 Y85L65-D69 WeakPolarHBondContact O-CB 2.97Å; L65-D69 PolarHBondContact O-N 2.9Å; M66-D69 PolarHBondContact O-N 2.81Å; D69-K71 VanDerWaalsContact C-N 3.32Å; D69-K71 PolarHBondContact O-N 2.92Å; D69-F72 PolarHBondContact O-N 2.99Å; D69-S73 WeakPolarHBondContact O-CA 3.45Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.36Å; D69-S73 PolarHBondContact O-OG 3.37Å; D69-K84 IonicContact OD1-NZ 3.8Å; D69-K84 PolarHBondContact OD1-NZ 3.47Å; D69-K84 WeakPolarHBondContact OD2-CE 3.34Å; D69-K84 IonicContact OD2-NZ 2.94Å; D69-K84 PolarHBondContact OD2-NZ 3.38Å; D69-Y85 PolarHBondContact OD2-OH 3.39Å
70L67.6Low69.5Low5 Ų556 Ų563%0.02631%0.309CS..Hα-helixtrans-61.2-40.3173.5-85.9159.2000112.3M66 E68 S73 Y85 L119 D122 I123 R126M66-L70 WeakPolarHBondContact O-CB 3.14Å; M66-L70 PolarHBondContact O-N 3.48Å; E68-L70 PolarHBondContact O-N 3.26Å; L70-S73 PolarHBondContact O-OG 3.5Å; L70-Y85 HydrophobicContact CD1-CE1 4.42Å; L70-Y85 HydrophobicContact CD2-CD1 3.94Å; L70-Y85 HydrophobicContact CD2-CD2 4.25Å; L70-Y85 HydrophobicContact CD2-CE1 3.49Å; L70-Y85 VanDerWaalsContact CD2-CE1 3.49Å; L70-Y85 HydrophobicContact CD2-CE2 3.81Å; L70-Y85 HydrophobicContact CD2-CG 4.31Å; L70-Y85 VanDerWaalsContact CD2-CZ 3.42Å; L70-Y85 HydrophobicContact CG-CD1 4.28Å; L70-Y85 HydrophobicContact CG-CE1 3.63Å; L70-L119 HydrophobicContact CD1-CD1 3.46Å; L70-L119 VanDerWaalsContact CD1-CD1 3.46Å; L70-L119 HydrophobicContact CD1-CG 4.42Å; L70-D122 HydrophobicContact CB-CB 4.26Å; L70-D122 HydrophobicContact CD1-CB 4.3Å; L70-I123 HydrophobicContact CD1-CD1 4.46Å; L70-I123 HydrophobicContact CD1-CG1 3.58Å; L70-I123 HydrophobicContact CD2-CG1 4.31Å; L70-R126 HydrophobicContact CD2-CB 4.12Å; L70-R126 HydrophobicContact CD2-CG 4.25Å
71K67Low70.2Confident130 Ų13053 Ų5357%0.56530%0.296SS*.Hα-helixtrans-67.8-38177.5-74.7175.3-177.6175.30112.9V67 E68 D69 D122V67-K71 HydrophobicContact CG1-CD 4.35Å; V67-K71 WeakPolarHBondContact O-CG 3.46Å; V67-K71 PolarHBondContact O-N 3.27Å; V67-K71 VanDerWaalsContact O-N 3.13Å; E68-K71 WeakPolarHBondContact O-CB 3.31Å; E68-K71 PolarHBondContact O-N 3.07Å; E68-K71 VanDerWaalsContact O-N 3.13Å; D69-K71 VanDerWaalsContact C-N 3.32Å; D69-K71 PolarHBondContact O-N 2.92Å; K71-D122 VanDerWaalsContact CE-OD2 3.32Å; K71-D122 WeakPolarHBondContact CE-OD2 3.49Å
72F65.5Low70.6Confident171 Ų17151.3 Ų51.375%0.7529%0.286SS*.Hα-helixtrans-97-9.9-176.4-65.5-64.7000114.6E68 D69E68-F72 HydrophobicContact CB-CD2 4.31Å; E68-F72 HydrophobicContact CB-CE2 4.38Å; E68-F72 WeakPolarHBondContact O-CD2 3.29Å; E68-F72 PolarHBondContact O-N 2.91Å; D69-F72 PolarHBondContact O-N 2.99Å
73S64.9Low70.7Confident12 Ų1255.6 Ų55.68%0.08431%0.306CS..  trans-64.4141.3-177.864.30000112.5D69 L70 V75 Y85 R126D69-S73 WeakPolarHBondContact O-CA 3.45Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.36Å; D69-S73 PolarHBondContact O-OG 3.37Å; L70-S73 PolarHBondContact O-OG 3.5Å; S73-V75 VanDerWaalsContact C-N 3.27Å; S73-V75 PolarHBondContact O-N 3.4Å; S73-Y85 WeakPolarHBondContact CB-OH 3.07Å; S73-Y85 PolarHBondContact OG-OH 2.84Å; S73-R126 PolarHBondContact O-NH1 2.87Å; S73-R126 PolarHBondContact O-NH2 2.7Å; S73-R126 PolarHBondContact OG-NH1 2.9Å
74G66.8Low70.9Confident66 Ų6657.4 Ų57.468%0.6831%0.314SS*.  trans-87.919.9169.700000113.9N76G74-N76 PolarHBondContact O-N 3.2Å; G74-N76 PolarHBondContact O-OD1 3.2Å
75V69.3Low71Confident13 Ų1355 Ų558%0.07930%0.297CS..  trans-7099.2-175.3175.30000110.7S73 A80 F81 K84 Y85 R126 I130S73-V75 VanDerWaalsContact C-N 3.27Å; S73-V75 PolarHBondContact O-N 3.4Å; V75-A80 HydrophobicContact CG1-CB 3.87Å; V75-A80 HydrophobicContact CG2-CB 4.48Å; V75-F81 HydrophobicContact CG1-CB 3.85Å; V75-K84 HydrophobicContact CG2-CD 3.89Å; V75-Y85 HydrophobicContact CB-CE2 4.38Å; V75-Y85 HydrophobicContact CG1-CE2 4.35Å; V75-Y85 HydrophobicContact CG2-CE2 4.15Å; V75-R126 VanDerWaalsContact C-NH2 3.26Å; V75-R126 VanDerWaalsContact O-CZ 3.3Å; V75-R126 PolarHBondContact O-NE 3.44Å; V75-R126 PolarHBondContact O-NH2 2.82Å; V75-I130 HydrophobicContact CG1-CD1 4.24Å
76N74.8Confident71Confident78 Ų7853.5 Ų53.542%0.41729%0.29SS..  trans-112.55.1-176.7-64.9-6.5000113.3G74 R126 T134G74-N76 PolarHBondContact O-N 3.2Å; G74-N76 PolarHBondContact O-OD1 3.2Å; N76-R126 PolarHBondContact OD1-NH2 3.26Å; N76-T134 VanDerWaalsContact O-CG2 3.31Å; N76-T134 WeakPolarHBondContact O-CG2 3.43Å
77S77.4Confident70.7Confident47 Ų4753.9 Ų53.933%0.32930%0.297SS..SBendtrans-125.5153.9177.171.60000112.2D79 A80 F81S77-D79 VanDerWaalsContact C-N 3.31Å; S77-D79 PolarHBondContact O-N 3.05Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-A80 WeakPolarHBondContact OG-CB 3.31Å; S77-A80 PolarHBondContact OG-N 2.97Å; S77-F81 WeakPolarHBondContact O-CB 3.37Å; S77-F81 PolarHBondContact O-N 3.35Å
78Y77Confident70.8Confident7 Ų753.8 Ų53.83%0.02730%0.296CS..Hα-helixtrans-64.5-33.8176.5-82.8-67.2000113F81 T82 L127 I130 Q131 T134 N136 N139 F140 Y143Y78-F81 PolarHBondContact O-N 2.97Å; Y78-T82 WeakPolarHBondContact O-CB 3.2Å; Y78-T82 PolarHBondContact O-N 3.34Å; Y78-T82 PolarHBondContact O-OG1 2.88Å; Y78-L127 HydrophobicContact CE1-CD2 4.16Å; Y78-I130 HydrophobicContact CD1-CG2 3.97Å; Y78-I130 HydrophobicContact CD2-CG2 3.94Å; Y78-I130 HydrophobicContact CE1-CG2 3.91Å; Y78-I130 HydrophobicContact CE2-CG2 3.9Å; Y78-I130 HydrophobicContact CG-CG2 3.96Å; Y78-Q131 PolarHBondContact OH-OE1 2.89Å; Y78-T134 HydrophobicContact CD2-CG2 4.39Å; Y78-T134 WeakPolarHBondContact CD2-OG1 3.42Å; Y78-T134 WeakPolarHBondContact CE2-OG1 3.41Å; Y78-N136 HydrophobicContact CD2-CB 3.85Å; Y78-N136 HydrophobicContact CE2-CB 3.77Å; Y78-N136 VanDerWaalsContact CE2-O 3.31Å; Y78-N136 WeakPolarHBondContact CE2-O 3.47Å; Y78-N139 HydrophobicContact CD1-CB 3.6Å; Y78-N139 HydrophobicContact CD2-CB 3.63Å; Y78-N139 HydrophobicContact CE1-CB 3.9Å; Y78-N139 HydrophobicContact CE2-CB 3.89Å; Y78-N139 HydrophobicContact CG-CB 3.48Å; Y78-N139 VanDerWaalsContact CG-CB 3.48Å; Y78-F140 WeakPolarHBondContact OH-CA 3.37Å; Y78-F140 VanDerWaalsContact OH-CB 3.26Å; Y78-F140 WeakPolarHBondContact OH-CB 3.13Å; Y78-Y143 AromaticContact CD1-CD2 3.89Å; Y78-Y143 HydrophobicContact CD1-CD2 3.89Å; Y78-Y143 HydrophobicContact CD1-CE2 4.05Å; Y78-Y143 HydrophobicContact CE1-CD2 4.13Å
79D77Confident70.6Confident124 Ų12448.6 Ų48.666%0.66327%0.272SS*.Hα-helixtrans-65.8-47.5178.8-60.2-36000110.8S77 F81 T82 E83S77-D79 VanDerWaalsContact C-N 3.31Å; S77-D79 PolarHBondContact O-N 3.05Å; D79-F81 VanDerWaalsContact C-N 3.29Å; D79-F81 PolarHBondContact O-N 3.44Å; D79-T82 WeakPolarHBondContact O-CB 3.39Å; D79-T82 PolarHBondContact O-N 2.81Å; D79-T82 VanDerWaalsContact O-N 3.16Å; D79-E83 WeakPolarHBondContact O-CB 3.36Å; D79-E83 PolarHBondContact O-N 2.91Å
80A76.1Confident70.3Confident34 Ų3449.4 Ų49.428%0.28128%0.276SS..Hα-helixtrans-64.3-35.3175.800000111.8V75 S77 K84V75-A80 HydrophobicContact CG1-CB 3.87Å; V75-A80 HydrophobicContact CG2-CB 4.48Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-A80 WeakPolarHBondContact OG-CB 3.31Å; S77-A80 PolarHBondContact OG-N 2.97Å; A80-K84 WeakPolarHBondContact O-CB 3.29Å; A80-K84 PolarHBondContact O-N 2.66Å
81F76.5Confident70.2Confident0 Ų050 Ų500%028%0.279CS..Hα-helixtrans-67.3-40.2173.8-178.3-90.5000112.4V75 S77 Y78 D79 K84 Y85 I89 I123 R126 L127 I130 Y143V75-F81 HydrophobicContact CG1-CB 3.85Å; S77-F81 WeakPolarHBondContact O-CB 3.37Å; S77-F81 PolarHBondContact O-N 3.35Å; Y78-F81 PolarHBondContact O-N 2.97Å; D79-F81 VanDerWaalsContact C-N 3.29Å; D79-F81 PolarHBondContact O-N 3.44Å; F81-K84 PolarHBondContact O-N 3.33Å; F81-Y85 AromaticContact CD2-CD2 3.42Å; F81-Y85 HydrophobicContact CD2-CD2 3.42Å; F81-Y85 VanDerWaalsContact CD2-CD2 3.42Å; F81-Y85 HydrophobicContact CD2-CE2 4.16Å; F81-Y85 HydrophobicContact CD2-CG 4.27Å; F81-Y85 AromaticContact CE2-CD2 3.73Å; F81-Y85 HydrophobicContact CE2-CD2 3.73Å; F81-Y85 HydrophobicContact CE2-CG 4.2Å; F81-Y85 HydrophobicContact CG-CD2 4.08Å; F81-Y85 WeakPolarHBondContact O-CA 3.41Å; F81-Y85 WeakPolarHBondContact O-CB 3.34Å; F81-Y85 PolarHBondContact O-N 3.36Å; F81-I89 HydrophobicContact CE1-CD1 3.62Å; F81-I89 HydrophobicContact CZ-CD1 3.79Å; F81-I123 HydrophobicContact CE2-CG2 4.47Å; F81-I123 HydrophobicContact CZ-CG2 4.01Å; F81-R126 HydrophobicContact CD2-CG 4.34Å; F81-R126 HydrophobicContact CE2-CB 4.45Å; F81-R126 HydrophobicContact CE2-CG 4.35Å; F81-L127 HydrophobicContact CD1-CD2 4.08Å; F81-L127 HydrophobicContact CE1-CD1 4.5Å; F81-L127 HydrophobicContact CE1-CD2 3.5Å; F81-L127 HydrophobicContact CE1-CG 4.03Å; F81-L127 HydrophobicContact CE2-CD2 4.1Å; F81-L127 HydrophobicContact CE2-CG 3.99Å; F81-L127 HydrophobicContact CZ-CD1 4.04Å; F81-L127 HydrophobicContact CZ-CD2 3.51Å; F81-L127 HydrophobicContact CZ-CG 3.5Å; F81-I130 HydrophobicContact CB-CD1 3.55Å; F81-I130 HydrophobicContact CD2-CD1 3.18Å; F81-I130 HydrophobicContact CE2-CD1 4.03Å; F81-I130 HydrophobicContact CG-CD1 3.54Å; F81-Y143 HydrophobicContact CD1-CD2 4.31Å; F81-Y143 HydrophobicContact CD1-CE2 4.47Å; F81-Y143 HydrophobicContact CD1-CG 4.38Å; F81-Y143 HydrophobicContact CE1-CD1 4.09Å; F81-Y143 HydrophobicContact CE1-CD2 4.39Å; F81-Y143 HydrophobicContact CE1-CG 4.02Å
82T75.6Confident70.1Confident44 Ų4443.9 Ų43.927%0.2725%0.252SS..Hα-helixtrans-63.2-50.1178.1-55.30000110.3Y78 D79 K84 N86 Y143Y78-T82 WeakPolarHBondContact O-CB 3.2Å; Y78-T82 PolarHBondContact O-N 3.34Å; Y78-T82 PolarHBondContact O-OG1 2.88Å; D79-T82 WeakPolarHBondContact O-CB 3.39Å; D79-T82 PolarHBondContact O-N 2.81Å; D79-T82 VanDerWaalsContact O-N 3.16Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 2.95Å; T82-N86 HydrophobicContact CG2-CB 4.24Å; T82-N86 WeakPolarHBondContact O-CB 3.37Å; T82-N86 PolarHBondContact O-N 2.84Å; T82-N86 VanDerWaalsContact O-N 3.17Å; T82-Y143 VanDerWaalsContact CB-OH 3.32Å; T82-Y143 WeakPolarHBondContact CB-OH 3.46Å; T82-Y143 WeakPolarHBondContact CG2-OH 3.49Å; T82-Y143 VanDerWaalsContact OG1-CZ 3.29Å; T82-Y143 PolarHBondContact OG1-OH 3.08Å
83E69.6Low70.1Confident119 Ų11937.8 Ų37.856%0.55623%0.229SC*.Hα-helixtrans-61.8-41.4-179.1-170.7170.1-159.600111.4N36 D79N36-E83 HydrophobicContact CB-CG 4.26Å; D79-E83 WeakPolarHBondContact O-CB 3.36Å; D79-E83 PolarHBondContact O-N 2.91Å
84K68.1Low70Confident45 Ų4540.4 Ų40.420%0.19624%0.24CC..Hα-helixtrans-86.2-35-174.2-152.3176.5-176.9-165.20114.4N37 D69 V75 A80 F81 T82N37-K84 PolarHBondContact ND2-O 2.98Å; N37-K84 WeakPolarHBondContact OD1-CA 3.47Å; N37-K84 VanDerWaalsContact OD1-CG 3.3Å; N37-K84 WeakPolarHBondContact OD1-CG 3.31Å; N37-K84 PolarHBondContact OD1-O 2.76Å; D69-K84 IonicContact OD1-NZ 3.8Å; D69-K84 PolarHBondContact OD1-NZ 3.47Å; D69-K84 WeakPolarHBondContact OD2-CE 3.34Å; D69-K84 IonicContact OD2-NZ 2.94Å; D69-K84 PolarHBondContact OD2-NZ 3.38Å; V75-K84 HydrophobicContact CG2-CD 3.89Å; A80-K84 WeakPolarHBondContact O-CB 3.29Å; A80-K84 PolarHBondContact O-N 2.66Å; F81-K84 PolarHBondContact O-N 3.33Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 2.95Å
85Y70.6Confident69.6Low0 Ų038.4 Ų38.40%021%0.213CC..Hα-helixtrans-121.8-9.5-166.7-58-63.8000115.7D69 L70 S73 V75 F81 G87 V88 I89D69-Y85 PolarHBondContact OD2-OH 3.39Å; L70-Y85 HydrophobicContact CD1-CE1 4.42Å; L70-Y85 HydrophobicContact CD2-CD1 3.94Å; L70-Y85 HydrophobicContact CD2-CD2 4.25Å; L70-Y85 HydrophobicContact CD2-CE1 3.49Å; L70-Y85 VanDerWaalsContact CD2-CE1 3.49Å; L70-Y85 HydrophobicContact CD2-CE2 3.81Å; L70-Y85 HydrophobicContact CD2-CG 4.31Å; L70-Y85 VanDerWaalsContact CD2-CZ 3.42Å; L70-Y85 HydrophobicContact CG-CD1 4.28Å; L70-Y85 HydrophobicContact CG-CE1 3.63Å; S73-Y85 WeakPolarHBondContact CB-OH 3.07Å; S73-Y85 PolarHBondContact OG-OH 2.84Å; V75-Y85 HydrophobicContact CB-CE2 4.38Å; V75-Y85 HydrophobicContact CG1-CE2 4.35Å; V75-Y85 HydrophobicContact CG2-CE2 4.15Å; F81-Y85 AromaticContact CD2-CD2 3.42Å; F81-Y85 HydrophobicContact CD2-CD2 3.42Å; F81-Y85 VanDerWaalsContact CD2-CD2 3.42Å; F81-Y85 HydrophobicContact CD2-CE2 4.16Å; F81-Y85 HydrophobicContact CD2-CG 4.27Å; F81-Y85 AromaticContact CE2-CD2 3.73Å; F81-Y85 HydrophobicContact CE2-CD2 3.73Å; F81-Y85 HydrophobicContact CE2-CG 4.2Å; F81-Y85 HydrophobicContact CG-CD2 4.08Å; F81-Y85 WeakPolarHBondContact O-CA 3.41Å; F81-Y85 WeakPolarHBondContact O-CB 3.34Å; F81-Y85 PolarHBondContact O-N 3.36Å; Y85-G87 VanDerWaalsContact C-N 3.32Å; Y85-G87 PolarHBondContact O-N 3.38Å; Y85-V88 HydrophobicContact CD1-CG2 4.43Å; Y85-V88 WeakPolarHBondContact O-CB 3.31Å; Y85-V88 PolarHBondContact O-N 3.03Å; Y85-V88 VanDerWaalsContact O-N 3.08Å; Y85-I89 WeakPolarHBondContact O-CG1 3.31Å; Y85-I89 PolarHBondContact O-N 2.89Å
86N69.8Low69.2Low44 Ų4439.5 Ų39.524%0.23522%0.218CC..Hα-helixtrans-63.1-36.7-178.7-17549.5000112.7T82 V88 I89 N90 K146T82-N86 HydrophobicContact CG2-CB 4.24Å; T82-N86 WeakPolarHBondContact O-CB 3.37Å; T82-N86 PolarHBondContact O-N 2.84Å; T82-N86 VanDerWaalsContact O-N 3.17Å; N86-V88 VanDerWaalsContact C-N 3.32Å; N86-V88 PolarHBondContact O-N 2.68Å; N86-I89 PolarHBondContact O-N 3.25Å; N86-N90 VanDerWaalsContact O-CG 3.3Å; N86-N90 PolarHBondContact O-N 3.47Å; N86-K146 PolarHBondContact OD1-NZ 2.89Å
87G64.1Low68.5Low21 Ų2140.2 Ų40.222%0.21623%0.226CC..Hα-helixtrans-61.7-40172.900000112.5Y85 N90 F91Y85-G87 VanDerWaalsContact C-N 3.32Å; Y85-G87 PolarHBondContact O-N 3.38Å; G87-N90 PolarHBondContact O-N 3.45Å; G87-F91 WeakPolarHBondContact O-CB 3.24Å; G87-F91 PolarHBondContact O-N 3.41Å
88V66.7Low67.5Low13 Ų1341.7 Ų41.78%0.07923%0.227CC..Hα-helixtrans-66.2-45178.1-172.20000111.1M66 Y85 N86 F91 L92 L119 I123M66-V88 HydrophobicContact CE-CB 4.39Å; M66-V88 HydrophobicContact CE-CG1 4.23Å; M66-V88 HydrophobicContact CE-CG2 3.27Å; Y85-V88 HydrophobicContact CD1-CG2 4.43Å; Y85-V88 WeakPolarHBondContact O-CB 3.31Å; Y85-V88 PolarHBondContact O-N 3.03Å; Y85-V88 VanDerWaalsContact O-N 3.08Å; N86-V88 VanDerWaalsContact C-N 3.32Å; N86-V88 PolarHBondContact O-N 2.68Å; V88-F91 WeakPolarHBondContact O-CB 3.35Å; V88-F91 PolarHBondContact O-N 3.3Å; V88-L92 HydrophobicContact CG1-CD1 4.12Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.3Å; V88-L92 PolarHBondContact O-N 3.45Å; V88-L119 HydrophobicContact CG1-CD2 4.09Å; V88-I123 HydrophobicContact CG1-CD1 4.19Å
89I67.6Low66.5Low0 Ų046.4 Ų46.40%025%0.253CS..Hα-helixtrans-60.4-48.9177.5-68.5165.8000110.3F81 Y85 N86 F91 L92 V93 I123 Y143 K146 I147F81-I89 HydrophobicContact CE1-CD1 3.62Å; F81-I89 HydrophobicContact CZ-CD1 3.79Å; Y85-I89 WeakPolarHBondContact O-CG1 3.31Å; Y85-I89 PolarHBondContact O-N 2.89Å; N86-I89 PolarHBondContact O-N 3.25Å; I89-F91 PolarHBondContact O-N 3.07Å; I89-L92 PolarHBondContact O-N 3.49Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-V93 HydrophobicContact CG2-CG2 4.37Å; I89-V93 WeakPolarHBondContact O-CG2 3.47Å; I89-V93 PolarHBondContact O-N 2.98Å; I89-I123 HydrophobicContact CD1-CG2 4.44Å; I89-I123 HydrophobicContact CG1-CG2 4.32Å; I89-Y143 HydrophobicContact CD1-CD1 4.11Å; I89-K146 HydrophobicContact CG2-CB 3.83Å; I89-K146 HydrophobicContact CG2-CD 4.01Å; I89-I147 HydrophobicContact CD1-CD1 3.84Å; I89-I147 HydrophobicContact CG1-CD1 3.85Å; I89-I147 HydrophobicContact CG1-CG1 4.31Å; I89-I147 HydrophobicContact CG2-CD1 4.21Å; I89-I147 HydrophobicContact CG2-CG1 3.76Å
90N65.1Low65.3Low64 Ų6440.8 Ų40.834%0.34222%0.223SC..Hα-helixtrans-60.9-37.8178.6-69.3-13.2000111.5N86 G87 H94 K146N86-N90 VanDerWaalsContact O-CG 3.3Å; N86-N90 PolarHBondContact O-N 3.47Å; G87-N90 PolarHBondContact O-N 3.45Å; N90-H94 VanDerWaalsContact O-CB 3.29Å; N90-H94 WeakPolarHBondContact O-CB 3.4Å; N90-H94 PolarHBondContact O-N 2.88Å; N90-K146 PolarHBondContact OD1-NZ 2.85Å
91F64.9Low63.8Low18 Ų1840.9 Ų40.98%0.07922%0.216CC..Hα-helixtrans-62.5-44.6174.4172.1-109.5000112.5I28 G87 V88 I89 H94 I95I28-F91 VanDerWaalsContact CA-CE2 3.44Å; I28-F91 HydrophobicContact CB-CE2 4.1Å; I28-F91 HydrophobicContact CB-CZ 4.28Å; I28-F91 HydrophobicContact CG1-CE2 3.61Å; I28-F91 HydrophobicContact CG1-CZ 3.49Å; I28-F91 VanDerWaalsContact CG1-CZ 3.49Å; G87-F91 WeakPolarHBondContact O-CB 3.24Å; G87-F91 PolarHBondContact O-N 3.41Å; V88-F91 WeakPolarHBondContact O-CB 3.35Å; V88-F91 PolarHBondContact O-N 3.3Å; I89-F91 PolarHBondContact O-N 3.07Å; F91-H94 PolarHBondContact O-N 3.41Å; F91-I95 HydrophobicContact CD1-CD1 3.98Å; F91-I95 HydrophobicContact CD2-CD1 4.44Å; F91-I95 HydrophobicContact CE1-CD1 3.35Å; F91-I95 HydrophobicContact CE1-CG1 4.39Å; F91-I95 HydrophobicContact CE2-CD1 3.83Å; F91-I95 HydrophobicContact CE2-CG1 4.03Å; F91-I95 HydrophobicContact CG-CD1 4.49Å; F91-I95 HydrophobicContact CZ-CD1 3.24Å; F91-I95 HydrophobicContact CZ-CG1 3.94Å; F91-I95 WeakPolarHBondContact O-CG1 3.28Å; F91-I95 PolarHBondContact O-N 3.18Å
92L65.1Low62.4Low2 Ų246.3 Ų46.31%0.0124%0.244CC..Hα-helixtrans-65.6-42.4177.2-65.4166.8000112.2V88 I89 H94 I95 N96 Y116 L119 L120 I123 L150V88-L92 HydrophobicContact CG1-CD1 4.12Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.3Å; V88-L92 PolarHBondContact O-N 3.45Å; I89-L92 PolarHBondContact O-N 3.49Å; I89-L92 VanDerWaalsContact O-N 3.16Å; L92-H94 VanDerWaalsContact C-N 3.27Å; L92-H94 PolarHBondContact O-N 3.08Å; L92-I95 PolarHBondContact O-N 3.49Å; L92-N96 PolarHBondContact O-N 3.35Å; L92-Y116 HydrophobicContact CB-CE2 4.31Å; L92-Y116 HydrophobicContact CD2-CD2 3.51Å; L92-Y116 HydrophobicContact CD2-CE2 3.24Å; L92-Y116 HydrophobicContact CG-CE2 4.36Å; L92-L119 HydrophobicContact CD1-CD2 4.01Å; L92-L119 HydrophobicContact CD1-CG 4.48Å; L92-L119 HydrophobicContact CD2-CD2 4.05Å; L92-L119 HydrophobicContact CG-CD2 4.5Å; L92-L120 HydrophobicContact CD1-CD1 4.2Å; L92-I123 HydrophobicContact CD1-CD1 3.43Å; L92-I123 VanDerWaalsContact CD1-CD1 3.43Å; L92-L150 HydrophobicContact CB-CD1 3.96Å
93V65.4Low61.1Low42 Ų4250.3 Ų50.326%0.25525%0.254SS..Hα-helixtrans-56.1-47173.8172.90000110.3I89 I95 N96 T97 K146 L150I89-V93 HydrophobicContact CG2-CG2 4.37Å; I89-V93 WeakPolarHBondContact O-CG2 3.47Å; I89-V93 PolarHBondContact O-N 2.98Å; V93-I95 PolarHBondContact O-N 3Å; V93-N96 PolarHBondContact O-N 3.28Å; V93-T97 HydrophobicContact CG1-CG2 4.17Å; V93-T97 WeakPolarHBondContact O-CG2 3.27Å; V93-T97 PolarHBondContact O-N 3.01Å; V93-T97 PolarHBondContact O-OG1 3.36Å; V93-K146 WeakPolarHBondContact CG2-O 3.23Å; V93-L150 HydrophobicContact CB-CD1 4.44Å; V93-L150 HydrophobicContact CG2-CD1 3.74Å; V93-L150 HydrophobicContact CG2-CG 4.36Å
94H61.7Low59.9Low68 Ų6847 Ų4732%0.31524%0.24SC..Hα-helixtrans-64.8-39.6-177.6-169.779.8000112.9S27 N90 F91 L92 N96 T97 H98S27-H94 VanDerWaalsContact CB-CD2 3.45Å; S27-H94 WeakPolarHBondContact CB-CD2 3.41Å; S27-H94 PolarHBondContact OG-CD2 3.39Å; S27-H94 PolarHBondContact OG-NE2 2.76Å; N90-H94 VanDerWaalsContact O-CB 3.29Å; N90-H94 WeakPolarHBondContact O-CB 3.4Å; N90-H94 PolarHBondContact O-N 2.88Å; F91-H94 PolarHBondContact O-N 3.41Å; L92-H94 VanDerWaalsContact C-N 3.27Å; L92-H94 PolarHBondContact O-N 3.08Å; H94-N96 VanDerWaalsContact C-N 3.3Å; H94-N96 PolarHBondContact O-N 3.31Å; H94-T97 VanDerWaalsContact CA-OG1 3.31Å; H94-T97 WeakPolarHBondContact CA-OG1 3.1Å; H94-T97 PolarHBondContact O-N 3.25Å; H94-T97 PolarHBondContact O-OG1 3.05Å; H94-H98 AromaticContact CD2-CD2 3.78Å; H94-H98 AromaticContact CE1-CD2 3.46Å; H94-H98 PolarHBondContact CE1-CD2 3.48Å; H94-H98 VanDerWaalsContact CE1-CD2 3.46Å; H94-H98 AromaticContact CE1-NE2 3.05Å; H94-H98 PolarHBondContact CE1-NE2 3Å; H94-H98 AromaticContact ND1-CD2 3.94Å; H94-H98 AromaticContact ND1-NE2 3.75Å; H94-H98 AromaticContact NE2-CD2 3.36Å; H94-H98 PolarHBondContact NE2-CD2 3.22Å; H94-H98 AromaticContact NE2-NE2 3.36Å; H94-H98 PolarHBondContact NE2-NE2 2.98Å; H94-H98 PolarHBondContact O-CD2 3.35Å; H94-H98 PolarHBondContact O-N 2.91Å
95I60.3Low58.5Low24 Ų2452.8 Ų52.812%0.12327%0.268CS..Hα-helixtrans-57.1-45.1173.3-69.8164.3000110.8L24 F91 L92 V93 Y116L24-I95 HydrophobicContact CD1-CG1 4.29Å; F91-I95 HydrophobicContact CD1-CD1 3.98Å; F91-I95 HydrophobicContact CD2-CD1 4.44Å; F91-I95 HydrophobicContact CE1-CD1 3.35Å; F91-I95 HydrophobicContact CE1-CG1 4.39Å; F91-I95 HydrophobicContact CE2-CD1 3.83Å; F91-I95 HydrophobicContact CE2-CG1 4.03Å; F91-I95 HydrophobicContact CG-CD1 4.49Å; F91-I95 HydrophobicContact CZ-CD1 3.24Å; F91-I95 HydrophobicContact CZ-CG1 3.94Å; F91-I95 WeakPolarHBondContact O-CG1 3.28Å; F91-I95 PolarHBondContact O-N 3.18Å; L92-I95 PolarHBondContact O-N 3.49Å; V93-I95 PolarHBondContact O-N 3Å; I95-Y116 HydrophobicContact CB-CE2 4.47Å; I95-Y116 HydrophobicContact CD1-CD2 4.48Å; I95-Y116 HydrophobicContact CD1-CE2 4.26Å; I95-Y116 HydrophobicContact CG2-CE2 4.3Å
96N59.9Low57.2Low35 Ų3556.6 Ų56.619%0.18729%0.293CS..Hα-helixtrans-72.7-42.3-176.9-160.345000112.4L92 V93 H94 H98 N99 L150L92-N96 PolarHBondContact O-N 3.35Å; V93-N96 PolarHBondContact O-N 3.28Å; H94-N96 VanDerWaalsContact C-N 3.3Å; H94-N96 PolarHBondContact O-N 3.31Å; N96-H98 PolarHBondContact O-N 3.38Å; N96-N99 PolarHBondContact O-N 3.5Å; N96-L150 HydrophobicContact CB-CD2 3.18Å; N96-L150 WeakPolarHBondContact ND2-CD2 3.46Å
97T59.3Low56Low94 Ų9461.8 Ų61.858%0.57732%0.318SS*.Hα-helixtrans-58-21.3179.548.50000113.9V93 H94V93-T97 HydrophobicContact CG1-CG2 4.17Å; V93-T97 WeakPolarHBondContact O-CG2 3.27Å; V93-T97 PolarHBondContact O-N 3.01Å; V93-T97 PolarHBondContact O-OG1 3.36Å; H94-T97 VanDerWaalsContact CA-OG1 3.31Å; H94-T97 WeakPolarHBondContact CA-OG1 3.1Å; H94-T97 PolarHBondContact O-N 3.25Å; H94-T97 PolarHBondContact O-OG1 3.05Å
98H58.1Low55.4Low78 Ų7868.5 Ų68.536%0.36134%0.344SS..THydrogen-bonded Turntrans-99.810180-75.2-48.9000114.5H94 N96 F100H94-H98 AromaticContact CD2-CD2 3.78Å; H94-H98 AromaticContact CE1-CD2 3.46Å; H94-H98 PolarHBondContact CE1-CD2 3.48Å; H94-H98 VanDerWaalsContact CE1-CD2 3.46Å; H94-H98 AromaticContact CE1-NE2 3.05Å; H94-H98 PolarHBondContact CE1-NE2 3Å; H94-H98 AromaticContact ND1-CD2 3.94Å; H94-H98 AromaticContact ND1-NE2 3.75Å; H94-H98 AromaticContact NE2-CD2 3.36Å; H94-H98 PolarHBondContact NE2-CD2 3.22Å; H94-H98 AromaticContact NE2-NE2 3.36Å; H94-H98 PolarHBondContact NE2-NE2 2.98Å; H94-H98 PolarHBondContact O-CD2 3.35Å; H94-H98 PolarHBondContact O-N 2.91Å; N96-H98 PolarHBondContact O-N 3.38Å; H98-F100 HydrophobicContact CB-CD2 3.42Å; H98-F100 VanDerWaalsContact CB-CD2 3.42Å; H98-F100 HydrophobicContact CB-CE1 4.39Å; H98-F100 HydrophobicContact CB-CE2 3.06Å; H98-F100 HydrophobicContact CB-CG 4.23Å; H98-F100 HydrophobicContact CB-CZ 3.58Å; H98-F100 AromaticContact CD2-CE2 3.85Å; H98-F100 AromaticContact CG-CE2 3.72Å; H98-F100 PolarHBondContact O-N 3.28Å
99N54.2Low54.8Low106 Ų10668.4 Ų68.457%0.56734%0.344SS*.THydrogen-bonded Turntrans54.125.3176.8-89.4-16.1000114.3N96 R101N96-N99 PolarHBondContact O-N 3.5Å; N99-R101 PolarHBondContact O-N 2.95Å; N99-R101 VanDerWaalsContact O-N 3.08Å
100F53Low54.4Low6 Ų676.9 Ų76.93%0.02638%0.376CS..Hα-helixtrans-61.7-23.6-175-73.8-60.2000113.1D20 K23 L24 H98 R103 L104D20-F100 HydrophobicContact CB-CD1 4.01Å; D20-F100 HydrophobicContact CB-CE1 3.82Å; D20-F100 WeakPolarHBondContact O-CE1 3.4Å; K23-F100 HydrophobicContact CB-CE1 3.89Å; K23-F100 HydrophobicContact CB-CZ 3.49Å; K23-F100 VanDerWaalsContact CB-CZ 3.49Å; K23-F100 HydrophobicContact CD-CZ 4.36Å; L24-F100 HydrophobicContact CB-CD1 4.35Å; L24-F100 HydrophobicContact CB-CE1 4.43Å; L24-F100 HydrophobicContact CD1-CB 4.24Å; L24-F100 HydrophobicContact CD1-CD2 3.96Å; L24-F100 HydrophobicContact CD1-CG 4.07Å; H98-F100 HydrophobicContact CB-CD2 3.42Å; H98-F100 VanDerWaalsContact CB-CD2 3.42Å; H98-F100 HydrophobicContact CB-CE1 4.39Å; H98-F100 HydrophobicContact CB-CE2 3.06Å; H98-F100 HydrophobicContact CB-CG 4.23Å; H98-F100 HydrophobicContact CB-CZ 3.58Å; H98-F100 AromaticContact CD2-CE2 3.85Å; H98-F100 AromaticContact CG-CE2 3.72Å; H98-F100 PolarHBondContact O-N 3.28Å; F100-R103 PolarHBondContact O-N 3.43Å; F100-L104 HydrophobicContact CB-CD1 4.5Å; F100-L104 WeakPolarHBondContact O-CD1 3.36Å; F100-L104 WeakPolarHBondContact O-CG 3.42Å; F100-L104 PolarHBondContact O-N 3.29Å
101R44.7Very low54.2Low35 Ų3579.3 Ų79.313%0.13239%0.385CS..Hα-helixtrans-70.9-40.2-172.4-151.2163.2-177.3-147.912.6114.2N99 R103 L104 N113 D117 E154N99-R101 PolarHBondContact O-N 2.95Å; N99-R101 VanDerWaalsContact O-N 3.08Å; R101-R103 PolarHBondContact O-N 3.33Å; R101-L104 PolarHBondContact O-N 3.12Å; R101-L104 VanDerWaalsContact O-N 3.08Å; R101-N113 WeakPolarHBondContact CG-OD1 3.46Å; R101-N113 PolarHBondContact NE-OD1 2.78Å; R101-N113 PolarHBondContact NH2-O 2.85Å; R101-D117 IonicContact CZ-OD1 3.84Å; R101-D117 IonicContact NH1-OD1 3.14Å; R101-D117 PolarHBondContact NH1-OD1 3.46Å; R101-D117 IonicContact NH2-OD1 3.85Å; R101-D117 PolarHBondContact NH2-OD1 3.16Å; R101-D117 IonicContact NH2-OD2 3.5Å; R101-D117 PolarHBondContact NH2-OD2 3.06Å; R101-E154 VanDerWaalsContact CD-OE2 3.26Å; R101-E154 WeakPolarHBondContact CD-OE2 3.22Å; R101-E154 IonicContact CZ-OE2 2.64Å; R101-E154 IonicContact NE-OE2 2.72Å; R101-E154 IonicContact NH1-OE2 3.73Å; R101-E154 PolarHBondContact NH1-OE2 3.02Å; R101-E154 VanDerWaalsContact NH1-OE2 3.14Å
102L47.2Very low54Low115 Ų11579.6 Ų79.660%0.60239%0.387SS*.Hα-helixtrans-59.6-31.6173.7-86.9161.2000112.6
103R47.8Very low53.9Low128 Ų12880.4 Ų80.448%0.48339%0.391SS..Hα-helixtrans-82.7-14.6178.3-71.5-170.8-169.3-178.515.6113.8G16 D20 F100 R101G16-R103 PolarHBondContact O-NH1 2.93Å; D20-R103 IonicContact OD1-CZ 3.82Å; D20-R103 IonicContact OD1-NH1 2.99Å; D20-R103 PolarHBondContact OD1-NH1 2.95Å; D20-R103 WeakPolarHBondContact OD2-CD 3.35Å; D20-R103 IonicContact OD2-CZ 2.84Å; D20-R103 IonicContact OD2-NE 3.08Å; D20-R103 PolarHBondContact OD2-NE 2.91Å; D20-R103 VanDerWaalsContact OD2-NE 3.08Å; D20-R103 IonicContact OD2-NH1 2.68Å; D20-R103 PolarHBondContact OD2-NH1 3.22Å; D20-R103 IonicContact OD2-NH2 3.58Å; F100-R103 PolarHBondContact O-N 3.43Å; R101-R103 PolarHBondContact O-N 3.33Å
104L44.1Very low53.9Low48 Ų4880.5 Ų80.525%0.25140%0.397SS..THydrogen-bonded Turntrans-84.3-3.9-173.8-81162.8000114.3L24 F100 R101 C106 S109L24-L104 HydrophobicContact CD2-CD1 4.4Å; F100-L104 HydrophobicContact CB-CD1 4.5Å; F100-L104 WeakPolarHBondContact O-CD1 3.36Å; F100-L104 WeakPolarHBondContact O-CG 3.42Å; F100-L104 PolarHBondContact O-N 3.29Å; R101-L104 PolarHBondContact O-N 3.12Å; R101-L104 VanDerWaalsContact O-N 3.08Å; L104-C106 PolarHBondContact O-N 3.16Å; L104-S109 WeakPolarHBondContact O-CB 3.41Å; L104-S109 PolarHBondContact O-OG 3.37Å
105E39.2Very low54.2Low167 Ų16777.7 Ų77.778%0.7839%0.385SS*.  trans-59.312.1-173.3-72-16314200118.8
106C43.4Very low54.6Low80 Ų8077.2 Ų77.254%0.54138%0.382SS..SBendtrans-71.9142.6166-71.50000111.8L104 E108 S109L104-C106 PolarHBondContact O-N 3.16Å; C106-E108 VanDerWaalsContact C-N 3.27Å; C106-E108 PolarHBondContact O-N 2.91Å; C106-S109 WeakPolarHBondContact O-CB 3.35Å; C106-S109 PolarHBondContact O-N 2.96Å; C106-S109 PolarHBondContact O-OG 2.97Å
107M43.6Very low55.1Low153 Ų15376.6 Ų76.675%0.75438%0.378SS*.THydrogen-bonded Turntrans-51-28.7-163-71.1-147.2129.300117.8S109M107-S109 PolarHBondContact O-N 3.33Å
108E51.3Low55.8Low162 Ų16275.4 Ų75.476%0.75737%0.369SS*.THydrogen-bonded Turntrans-70.4-14.8176.9-66.8179.4168.400113.2C106C106-E108 VanDerWaalsContact C-N 3.27Å; C106-E108 PolarHBondContact O-N 2.91Å
109S55.5Low56.6Low12 Ų1271.7 Ų71.78%0.08435%0.352CS..Hα-helixtrans-85.5-15.2-177.7740000115.4L104 C106 M107 E111 M112 N113L104-S109 WeakPolarHBondContact O-CB 3.41Å; L104-S109 PolarHBondContact O-OG 3.37Å; C106-S109 WeakPolarHBondContact O-CB 3.35Å; C106-S109 PolarHBondContact O-N 2.96Å; C106-S109 PolarHBondContact O-OG 2.97Å; M107-S109 PolarHBondContact O-N 3.33Å; S109-E111 PolarHBondContact O-N 3.01Å; S109-M112 PolarHBondContact O-N 3.03Å; S109-N113 WeakPolarHBondContact O-CB 3.42Å; S109-N113 PolarHBondContact O-N 3.44Å; S109-N113 PolarHBondContact O-ND2 2.66Å
110R58.3Low57.6Low178 Ų17866.7 Ų66.767%0.67233%0.325SS*.Hα-helixtrans-59-38.1-179.4-80.7-173.6-179.8177.91111.4A114R110-A114 WeakPolarHBondContact O-CB 3.45Å; R110-A114 PolarHBondContact O-N 2.61Å
111E61.7Low58.6Low114 Ų11466.4 Ų66.453%0.53332%0.323SS..Hα-helixtrans-72.2-40.7178.3-61.1-172.8160.500112K60 S109 A114 A115K60-E111 WeakPolarHBondContact CE-OE2 3.43Å; K60-E111 IonicContact NZ-OE2 2.79Å; K60-E111 PolarHBondContact NZ-OE2 3.11Å; S109-E111 PolarHBondContact O-N 3.01Å; E111-A114 PolarHBondContact O-N 2.97Å; E111-A115 PolarHBondContact O-N 3.47Å
112M60.1Low60.2Low24 Ų2465.6 Ų65.612%0.11832%0.322CS..Hα-helixtrans-65.8-41.8176.4-156.9-149.9-83.400111.1V56 I59 L63 S109 A114 A115 Y116V56-M112 HydrophobicContact CB-CE 4.27Å; V56-M112 HydrophobicContact CG1-CE 3.79Å; V56-M112 HydrophobicContact CG2-CE 4.12Å; I59-M112 HydrophobicContact CB-CE 4.13Å; I59-M112 HydrophobicContact CD1-CE 4.02Å; I59-M112 HydrophobicContact CG2-CE 3.93Å; I59-M112 HydrophobicContact CG2-CG 4.35Å; I59-M112 HydrophobicContact CG2-SD 3.97Å; L63-M112 HydrophobicContact CD1-CG 4.06Å; S109-M112 PolarHBondContact O-N 3.03Å; M112-A114 VanDerWaalsContact C-N 3.31Å; M112-A114 PolarHBondContact O-N 3.45Å; M112-A115 WeakPolarHBondContact O-CB 3.34Å; M112-A115 PolarHBondContact O-N 3.14Å; M112-A115 VanDerWaalsContact O-N 3.17Å; M112-Y116 PolarHBondContact O-N 3.2Å
113N62.7Low61.8Low19 Ų1960.1 Ų60.110%0.10229%0.293CS..Hα-helixtrans-60.7-39.9173.2-83.1-36000112R101 S109 Y116 D117R101-N113 WeakPolarHBondContact CG-OD1 3.46Å; R101-N113 PolarHBondContact NE-OD1 2.78Å; R101-N113 PolarHBondContact NH2-O 2.85Å; S109-N113 WeakPolarHBondContact O-CB 3.42Å; S109-N113 PolarHBondContact O-N 3.44Å; S109-N113 PolarHBondContact O-ND2 2.66Å; N113-Y116 PolarHBondContact O-N 3.19Å; N113-D117 VanDerWaalsContact O-CG 3.29Å; N113-D117 PolarHBondContact O-N 2.86Å
114A66.4Low63.3Low44 Ų4454.1 Ų54.136%0.36427%0.271SS..Hα-helixtrans-66.9-37.3174.700000112.2R110 E111 M112 N118R110-A114 WeakPolarHBondContact O-CB 3.45Å; R110-A114 PolarHBondContact O-N 2.61Å; E111-A114 PolarHBondContact O-N 2.97Å; M112-A114 VanDerWaalsContact C-N 3.31Å; M112-A114 PolarHBondContact O-N 3.45Å; A114-N118 VanDerWaalsContact O-CB 3.32Å; A114-N118 WeakPolarHBondContact O-CB 3.35Å; A114-N118 VanDerWaalsContact O-CG 3.24Å; A114-N118 PolarHBondContact O-N 3.29Å; A114-N118 PolarHBondContact O-ND2 2.89Å
115A66.6Low65.1Low9 Ų955.2 Ų55.27%0.07427%0.273CS..Hα-helixtrans-65.6-42174.500000111.8L63 E111 M112 N118 L119L63-A115 HydrophobicContact CB-CB 3.93Å; L63-A115 HydrophobicContact CD1-CB 4.13Å; E111-A115 PolarHBondContact O-N 3.47Å; M112-A115 WeakPolarHBondContact O-CB 3.34Å; M112-A115 PolarHBondContact O-N 3.14Å; M112-A115 VanDerWaalsContact O-N 3.17Å; A115-N118 PolarHBondContact O-N 3.21Å; A115-L119 WeakPolarHBondContact O-CB 3.47Å; A115-L119 PolarHBondContact O-N 3.01Å
116Y70.5Confident67.1Low15 Ų1548.3 Ų48.36%0.05924%0.24CC..Hα-helixtrans-59.9-50.8173.4177.8-85.4000111.9L92 I95 M112 N113 N118 L119 L120L92-Y116 HydrophobicContact CB-CE2 4.31Å; L92-Y116 HydrophobicContact CD2-CD2 3.51Å; L92-Y116 HydrophobicContact CD2-CE2 3.24Å; L92-Y116 HydrophobicContact CG-CE2 4.36Å; I95-Y116 HydrophobicContact CB-CE2 4.47Å; I95-Y116 HydrophobicContact CD1-CD2 4.48Å; I95-Y116 HydrophobicContact CD1-CE2 4.26Å; I95-Y116 HydrophobicContact CG2-CE2 4.3Å; M112-Y116 PolarHBondContact O-N 3.2Å; N113-Y116 PolarHBondContact O-N 3.19Å; Y116-N118 VanDerWaalsContact C-N 3.29Å; Y116-N118 PolarHBondContact O-N 2.94Å; Y116-L119 PolarHBondContact O-N 2.86Å; Y116-L120 HydrophobicContact CE1-CD1 4.3Å; Y116-L120 PolarHBondContact O-N 3.37Å
117D69.5Low68.8Low21 Ų2144.5 Ų44.511%0.11221%0.214CC..Hα-helixtrans-61.2-39.5178.6-70.9-28.6000111.6R101 N113 A121 Y163R101-D117 IonicContact CZ-OD1 3.84Å; R101-D117 IonicContact NH1-OD1 3.14Å; R101-D117 PolarHBondContact NH1-OD1 3.46Å; R101-D117 IonicContact NH2-OD1 3.85Å; R101-D117 PolarHBondContact NH2-OD1 3.16Å; R101-D117 IonicContact NH2-OD2 3.5Å; R101-D117 PolarHBondContact NH2-OD2 3.06Å; N113-D117 VanDerWaalsContact O-CG 3.29Å; N113-D117 PolarHBondContact O-N 2.86Å; D117-A121 WeakPolarHBondContact O-CB 3.25Å; D117-A121 PolarHBondContact O-N 3.45Å; D117-Y163 PolarHBondContact O-OH 2.88Å
118N73.9Confident70.4Confident69 Ų6937.4 Ų37.437%0.36918%0.18SC..Hα-helixtrans-66.6-41.5176.2-77.8-36.9000112.2V67 A114 A115 Y116 A121 D122 K162V67-N118 HydrophobicContact CG2-CB 4.36Å; A114-N118 VanDerWaalsContact O-CB 3.32Å; A114-N118 WeakPolarHBondContact O-CB 3.35Å; A114-N118 VanDerWaalsContact O-CG 3.24Å; A114-N118 PolarHBondContact O-N 3.29Å; A114-N118 PolarHBondContact O-ND2 2.89Å; A115-N118 PolarHBondContact O-N 3.21Å; Y116-N118 VanDerWaalsContact C-N 3.29Å; Y116-N118 PolarHBondContact O-N 2.94Å; N118-A121 WeakPolarHBondContact O-CB 2.96Å; N118-A121 PolarHBondContact O-N 3.4Å; N118-D122 WeakPolarHBondContact O-CB 3.45Å; N118-D122 VanDerWaalsContact O-CG 3.24Å; N118-D122 PolarHBondContact O-N 2.92Å; N118-K162 PolarHBondContact OD1-NZ 2.89Å
119L75.8Confident71.6Confident1 Ų132.3 Ų32.31%0.00516%0.157CC..Hα-helixtrans-63.1-43.9176.9-173.772.8000111.2L63 M66 V67 L70 V88 L92 A115 Y116 A121 D122 I123L63-L119 HydrophobicContact CD2-CD2 3.7Å; M66-L119 HydrophobicContact CB-CD1 3.75Å; V67-L119 HydrophobicContact CG2-CB 3.87Å; V67-L119 HydrophobicContact CG2-CD1 3.82Å; V67-L119 HydrophobicContact CG2-CG 4.49Å; L70-L119 HydrophobicContact CD1-CD1 3.46Å; L70-L119 VanDerWaalsContact CD1-CD1 3.46Å; L70-L119 HydrophobicContact CD1-CG 4.42Å; V88-L119 HydrophobicContact CG1-CD2 4.09Å; L92-L119 HydrophobicContact CD1-CD2 4.01Å; L92-L119 HydrophobicContact CD1-CG 4.48Å; L92-L119 HydrophobicContact CD2-CD2 4.05Å; L92-L119 HydrophobicContact CG-CD2 4.5Å; A115-L119 WeakPolarHBondContact O-CB 3.47Å; A115-L119 PolarHBondContact O-N 3.01Å; Y116-L119 PolarHBondContact O-N 2.86Å; L119-A121 VanDerWaalsContact C-N 3.3Å; L119-A121 PolarHBondContact O-N 3.2Å; L119-D122 PolarHBondContact O-N 3.19Å; L119-I123 HydrophobicContact CG-CD1 4.08Å; L119-I123 VanDerWaalsContact O-CG1 3.28Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.25Å
120L75.4Confident72.7Confident0 Ų031.8 Ų31.80%015%0.153CC..Hα-helixtrans-61.6-40.8176.8-147.895.4000111.3L92 Y116 H124 I147 L150 L151 Y163L92-L120 HydrophobicContact CD1-CD1 4.2Å; Y116-L120 HydrophobicContact CE1-CD1 4.3Å; Y116-L120 PolarHBondContact O-N 3.37Å; L120-H124 WeakPolarHBondContact O-CB 3.22Å; L120-H124 PolarHBondContact O-N 3.05Å; L120-I147 HydrophobicContact CD1-CG2 4.27Å; L120-I147 HydrophobicContact CD2-CG2 4.48Å; L120-I147 HydrophobicContact CG-CG2 4.16Å; L120-L150 HydrophobicContact CD1-CB 3.85Å; L120-L150 HydrophobicContact CD1-CD1 3.95Å; L120-L150 HydrophobicContact CD2-CB 3.98Å; L120-L150 WeakPolarHBondContact CD2-O 3.43Å; L120-L151 HydrophobicContact CD2-CB 4.37Å; L120-L151 HydrophobicContact CD2-CD2 3.62Å; L120-L151 HydrophobicContact CD2-CG 3.85Å; L120-L151 HydrophobicContact CG-CD2 4.27Å; L120-Y163 HydrophobicContact CD2-CE2 4.33Å
121A74Confident73.6Confident0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-60.6-47.4174.400000111.4D117 N118 L119 H124 K125 K162 Y163D117-A121 WeakPolarHBondContact O-CB 3.25Å; D117-A121 PolarHBondContact O-N 3.45Å; N118-A121 WeakPolarHBondContact O-CB 2.96Å; N118-A121 PolarHBondContact O-N 3.4Å; L119-A121 VanDerWaalsContact C-N 3.3Å; L119-A121 PolarHBondContact O-N 3.2Å; A121-H124 WeakPolarHBondContact O-CB 3.47Å; A121-H124 PolarHBondContact O-N 3.11Å; A121-K125 WeakPolarHBondContact O-CB 2.9Å; A121-K125 PolarHBondContact O-N 3.27Å; A121-K162 HydrophobicContact CB-CD 4.03Å; A121-Y163 VanDerWaalsContact CA-CE1 3.43Å; A121-Y163 HydrophobicContact CB-CD1 3.93Å; A121-Y163 HydrophobicContact CB-CE1 3.56Å
122D77.8Confident74Confident18 Ų1820.4 Ų20.410%0.09611%0.108CC..Hα-helixtrans-71-34.3-175.7-68-21.1000111.4V67 L70 K71 N118 L119 K125 R126V67-D122 WeakPolarHBondContact CG1-OD2 3.23Å; L70-D122 HydrophobicContact CB-CB 4.26Å; L70-D122 HydrophobicContact CD1-CB 4.3Å; K71-D122 VanDerWaalsContact CE-OD2 3.32Å; K71-D122 WeakPolarHBondContact CE-OD2 3.49Å; N118-D122 WeakPolarHBondContact O-CB 3.45Å; N118-D122 VanDerWaalsContact O-CG 3.24Å; N118-D122 PolarHBondContact O-N 2.92Å; L119-D122 PolarHBondContact O-N 3.19Å; D122-K125 PolarHBondContact O-N 3.48Å; D122-R126 WeakPolarHBondContact O-CB 3.37Å; D122-R126 PolarHBondContact O-N 3.46Å
123I80.3Confident74.4Confident1 Ų124.4 Ų24.41%0.00513%0.126CC..Hα-helixtrans-64.4-44.8170.6-66.5168.8000110.6L70 F81 V88 I89 L92 L119 R126 L127 I147L70-I123 HydrophobicContact CD1-CD1 4.46Å; L70-I123 HydrophobicContact CD1-CG1 3.58Å; L70-I123 HydrophobicContact CD2-CG1 4.31Å; F81-I123 HydrophobicContact CE2-CG2 4.47Å; F81-I123 HydrophobicContact CZ-CG2 4.01Å; V88-I123 HydrophobicContact CG1-CD1 4.19Å; I89-I123 HydrophobicContact CD1-CG2 4.44Å; I89-I123 HydrophobicContact CG1-CG2 4.32Å; L92-I123 HydrophobicContact CD1-CD1 3.43Å; L92-I123 VanDerWaalsContact CD1-CD1 3.43Å; L119-I123 HydrophobicContact CG-CD1 4.08Å; L119-I123 VanDerWaalsContact O-CG1 3.28Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.25Å; I123-R126 PolarHBondContact O-N 3.17Å; I123-L127 HydrophobicContact CG2-CD1 4.22Å; I123-L127 PolarHBondContact O-N 3.46Å; I123-I147 HydrophobicContact CG2-CD1 3.53Å
124H80.3Confident74.8Confident2 Ų225.8 Ų25.81%0.00914%0.135CC..Hα-helixtrans-59.1-49.4175.5175.813.5000111.2L120 A121 R126 L127 L128 R144 L151L120-H124 WeakPolarHBondContact O-CB 3.22Å; L120-H124 PolarHBondContact O-N 3.05Å; A121-H124 WeakPolarHBondContact O-CB 3.47Å; A121-H124 PolarHBondContact O-N 3.11Å; H124-R126 VanDerWaalsContact C-N 3.28Å; H124-R126 PolarHBondContact O-N 2.93Å; H124-L127 PolarHBondContact O-N 2.82Å; H124-L128 WeakPolarHBondContact CE1-CD1 3.46Å; H124-L128 WeakPolarHBondContact O-CG 3.22Å; H124-L128 PolarHBondContact O-N 2.88Å; H124-R144 PolarHBondContact CE1-NH1 3.18Å; H124-R144 PolarHBondContact CE1-NH2 3.44Å; H124-R144 PolarHBondContact ND1-NH1 3.03Å; H124-R144 PolarHBondContact NE2-NH1 2.91Å; H124-R144 PolarHBondContact NE2-NH2 2.93Å; H124-L151 HydrophobicContact CB-CD2 4.22Å
125K80.3Confident74.8Confident70 Ų7028 Ų2830%0.30414%0.135SC..Hα-helixtrans-59.5-40.7178.4-167.9174.5-168.9117.70111.1A121 D122 L128 L129 D166 E169A121-K125 WeakPolarHBondContact O-CB 2.9Å; A121-K125 PolarHBondContact O-N 3.27Å; D122-K125 PolarHBondContact O-N 3.48Å; K125-L128 WeakPolarHBondContact O-CB 3.36Å; K125-L128 PolarHBondContact O-N 2.84Å; K125-L129 WeakPolarHBondContact O-CG 3.32Å; K125-L129 PolarHBondContact O-N 3.49Å; K125-D166 IonicContact NZ-OD1 3.42Å; K125-D166 PolarHBondContact NZ-OD1 3.13Å; K125-E169 IonicContact NZ-OE2 3.83Å; K125-E169 PolarHBondContact NZ-OE2 3.06Å
126R81.3Confident75.1Confident23 Ų2330.5 Ų30.59%0.08715%0.147CC..Hα-helixtrans-66.1-42.2176.4-163.475-162.4-172.16.4112.9L70 S73 V75 N76 F81 D122 I123 H124 L128 L129 I130L70-R126 HydrophobicContact CD2-CB 4.12Å; L70-R126 HydrophobicContact CD2-CG 4.25Å; S73-R126 PolarHBondContact O-NH1 2.87Å; S73-R126 PolarHBondContact O-NH2 2.7Å; S73-R126 PolarHBondContact OG-NH1 2.9Å; V75-R126 VanDerWaalsContact C-NH2 3.26Å; V75-R126 VanDerWaalsContact O-CZ 3.3Å; V75-R126 PolarHBondContact O-NE 3.44Å; V75-R126 PolarHBondContact O-NH2 2.82Å; N76-R126 PolarHBondContact OD1-NH2 3.26Å; F81-R126 HydrophobicContact CD2-CG 4.34Å; F81-R126 HydrophobicContact CE2-CB 4.45Å; F81-R126 HydrophobicContact CE2-CG 4.35Å; D122-R126 WeakPolarHBondContact O-CB 3.37Å; D122-R126 PolarHBondContact O-N 3.46Å; I123-R126 PolarHBondContact O-N 3.17Å; H124-R126 VanDerWaalsContact C-N 3.28Å; H124-R126 PolarHBondContact O-N 2.93Å; R126-L128 VanDerWaalsContact C-N 3.28Å; R126-L128 PolarHBondContact O-N 3.44Å; R126-L129 PolarHBondContact O-N 3.39Å; R126-I130 HydrophobicContact CG-CD1 3.94Å; R126-I130 HydrophobicContact CG-CG1 4.49Å; R126-I130 WeakPolarHBondContact O-CD1 3.2Å; R126-I130 WeakPolarHBondContact O-CG1 3.34Å; R126-I130 PolarHBondContact O-N 3.49Å
127L80.6Confident75Confident0 Ų030.9 Ų30.90%015%0.15CC..Hα-helixtrans-60.4-39175.4-84.1169.3000112.1Y78 F81 I123 H124 Q131 F140 Y143 I147Y78-L127 HydrophobicContact CE1-CD2 4.16Å; F81-L127 HydrophobicContact CD1-CD2 4.08Å; F81-L127 HydrophobicContact CE1-CD1 4.5Å; F81-L127 HydrophobicContact CE1-CD2 3.5Å; F81-L127 HydrophobicContact CE1-CG 4.03Å; F81-L127 HydrophobicContact CE2-CD2 4.1Å; F81-L127 HydrophobicContact CE2-CG 3.99Å; F81-L127 HydrophobicContact CZ-CD1 4.04Å; F81-L127 HydrophobicContact CZ-CD2 3.51Å; F81-L127 HydrophobicContact CZ-CG 3.5Å; I123-L127 HydrophobicContact CG2-CD1 4.22Å; I123-L127 PolarHBondContact O-N 3.46Å; H124-L127 PolarHBondContact O-N 2.82Å; L127-Q131 WeakPolarHBondContact O-CB 3.23Å; L127-Q131 PolarHBondContact O-N 2.81Å; L127-F140 HydrophobicContact CB-CE2 4.45Å; L127-Y143 HydrophobicContact CD2-CD2 4.49Å; L127-Y143 HydrophobicContact CD2-CG 4.31Å; L127-I147 HydrophobicContact CD1-CD1 3.62Å
128L76.8Confident75.1Confident4 Ų435.4 Ų35.42%0.02117%0.174CC..Hα-helixtrans-63.7-46.9173.4-70.9173.2000111.2H124 K125 R126 I130 Q131 Q132 F140 F170 V197H124-L128 WeakPolarHBondContact CE1-CD1 3.46Å; H124-L128 WeakPolarHBondContact O-CG 3.22Å; H124-L128 PolarHBondContact O-N 2.88Å; K125-L128 WeakPolarHBondContact O-CB 3.36Å; K125-L128 PolarHBondContact O-N 2.84Å; R126-L128 VanDerWaalsContact C-N 3.28Å; R126-L128 PolarHBondContact O-N 3.44Å; L128-I130 PolarHBondContact O-N 3.37Å; L128-Q131 PolarHBondContact O-N 3.24Å; L128-Q132 PolarHBondContact O-N 3.02Å; L128-F140 HydrophobicContact CD2-CE2 4.2Å; L128-F140 HydrophobicContact CD2-CZ 4.18Å; L128-F170 HydrophobicContact CB-CB 4.23Å; L128-F170 HydrophobicContact CB-CD2 3.7Å; L128-F170 HydrophobicContact CB-CE2 4.22Å; L128-F170 HydrophobicContact CB-CG 3.97Å; L128-F170 HydrophobicContact CD1-CB 3.87Å; L128-F170 HydrophobicContact CD1-CG 4.28Å; L128-F170 HydrophobicContact CD2-CB 4.32Å; L128-F170 HydrophobicContact CD2-CD1 3.83Å; L128-F170 HydrophobicContact CD2-CD2 4.25Å; L128-F170 HydrophobicContact CD2-CE1 4.18Å; L128-F170 HydrophobicContact CD2-CG 3.86Å; L128-F170 HydrophobicContact CG-CB 4.37Å; L128-F170 HydrophobicContact CG-CD2 4.45Å; L128-F170 HydrophobicContact CG-CG 4.25Å; L128-F170 WeakPolarHBondContact O-CE2 3.47Å; L128-V197 HydrophobicContact CD2-CG1 4.37Å
129L76.8Confident75.1Confident55 Ų5534.1 Ų34.129%0.28817%0.167SC..Hα-helixtrans-60.7-42.3176.3-72.6167.8000112.9K125 R126 Q131 Q132 H133K125-L129 WeakPolarHBondContact O-CG 3.32Å; K125-L129 PolarHBondContact O-N 3.49Å; R126-L129 PolarHBondContact O-N 3.39Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.38Å; L129-Q132 WeakPolarHBondContact O-CB 3.44Å; L129-Q132 PolarHBondContact O-N 2.96Å; L129-H133 PolarHBondContact O-CD2 2.93Å; L129-H133 PolarHBondContact O-N 2.9Å; L129-H133 VanDerWaalsContact O-N 3.17Å
130I77.5Confident75.1Confident0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-64.9-40.6177.1-67.6157.7000110.7V75 Y78 F81 R126 L128 Q132 H133 T134V75-I130 HydrophobicContact CG1-CD1 4.24Å; Y78-I130 HydrophobicContact CD1-CG2 3.97Å; Y78-I130 HydrophobicContact CD2-CG2 3.94Å; Y78-I130 HydrophobicContact CE1-CG2 3.91Å; Y78-I130 HydrophobicContact CE2-CG2 3.9Å; Y78-I130 HydrophobicContact CG-CG2 3.96Å; F81-I130 HydrophobicContact CB-CD1 3.55Å; F81-I130 HydrophobicContact CD2-CD1 3.18Å; F81-I130 HydrophobicContact CE2-CD1 4.03Å; F81-I130 HydrophobicContact CG-CD1 3.54Å; R126-I130 HydrophobicContact CG-CD1 3.94Å; R126-I130 HydrophobicContact CG-CG1 4.49Å; R126-I130 WeakPolarHBondContact O-CD1 3.2Å; R126-I130 WeakPolarHBondContact O-CG1 3.34Å; R126-I130 PolarHBondContact O-N 3.49Å; L128-I130 PolarHBondContact O-N 3.37Å; I130-Q132 VanDerWaalsContact C-N 3.27Å; I130-Q132 PolarHBondContact O-N 2.8Å; I130-H133 PolarHBondContact O-N 3.23Å; I130-H133 VanDerWaalsContact O-N 3.15Å; I130-T134 HydrophobicContact CG2-CG2 4.11Å; I130-T134 WeakPolarHBondContact O-CB 3.34Å; I130-T134 PolarHBondContact O-N 3.18Å; I130-T134 PolarHBondContact O-OG1 3.47Å
131Q76.8Confident74.9Confident4 Ų436.8 Ų36.82%0.01918%0.179CC..Hα-helixtrans-63.6-35.8174.8-177.757.513.300111.4Y78 L127 L128 L129 H133 Y135 N136 F140 V197Y78-Q131 PolarHBondContact OH-OE1 2.89Å; L127-Q131 WeakPolarHBondContact O-CB 3.23Å; L127-Q131 PolarHBondContact O-N 2.81Å; L128-Q131 PolarHBondContact O-N 3.24Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.38Å; Q131-H133 VanDerWaalsContact C-N 3.25Å; Q131-H133 PolarHBondContact O-N 2.77Å; Q131-Y135 PolarHBondContact O-N 3.43Å; Q131-N136 VanDerWaalsContact OE1-C 3.29Å; Q131-N136 PolarHBondContact OE1-O 3.39Å; Q131-N136 VanDerWaalsContact OE1-O 3.12Å; Q131-F140 HydrophobicContact CB-CD2 3.81Å; Q131-F140 HydrophobicContact CB-CE2 4.26Å; Q131-F140 HydrophobicContact CB-CG 4.49Å; Q131-F140 HydrophobicContact CG-CD2 4.06Å; Q131-F140 HydrophobicContact CG-CG 4.3Å; Q131-V197 HydrophobicContact CG-CG2 3.81Å
132Q71Confident75.1Confident50 Ų5042.4 Ų42.423%0.23420%0.203CC..Hα-helixtrans-60.1-34.7173.6-154174.1-9.600112.8L128 L129 I130 Y135 F170L128-Q132 PolarHBondContact O-N 3.02Å; L129-Q132 WeakPolarHBondContact O-CB 3.44Å; L129-Q132 PolarHBondContact O-N 2.96Å; I130-Q132 VanDerWaalsContact C-N 3.27Å; I130-Q132 PolarHBondContact O-N 2.8Å; Q132-Y135 WeakPolarHBondContact O-CE2 3.39Å; Q132-F170 HydrophobicContact CB-CE2 3.89Å; Q132-F170 HydrophobicContact CG-CE2 4.21Å
133H68.7Low74.9Confident107 Ų10741.8 Ų41.850%0.49520%0.199SC..Hα-helixtrans-89.3-34.7-177.2-73.3-56.7000114L129 I130 Q131L129-H133 PolarHBondContact O-CD2 2.93Å; L129-H133 PolarHBondContact O-N 2.9Å; L129-H133 VanDerWaalsContact O-N 3.17Å; I130-H133 PolarHBondContact O-N 3.23Å; I130-H133 VanDerWaalsContact O-N 3.15Å; Q131-H133 VanDerWaalsContact C-N 3.25Å; Q131-H133 PolarHBondContact O-N 2.77Å
134T70.7Confident74.6Confident48 Ų4842 Ų4229%0.29420%0.2SC..Hα-helixtrans-105.1-22.9-169.257.80000114.4N76 Y78 I130 N136N76-T134 VanDerWaalsContact O-CG2 3.31Å; N76-T134 WeakPolarHBondContact O-CG2 3.43Å; Y78-T134 HydrophobicContact CD2-CG2 4.39Å; Y78-T134 WeakPolarHBondContact CD2-OG1 3.42Å; Y78-T134 WeakPolarHBondContact CE2-OG1 3.41Å; I130-T134 HydrophobicContact CG2-CG2 4.11Å; I130-T134 WeakPolarHBondContact O-CB 3.34Å; I130-T134 PolarHBondContact O-N 3.18Å; I130-T134 PolarHBondContact O-OG1 3.47Å; T134-N136 PolarHBondContact O-N 3.14Å
135Y66Low74.3Confident90 Ų9050.4 Ų50.435%0.35323%0.232SC..  trans5332.7-176.3-60.5-85.6000113.8Q131 Q132 Y174 R190 D193Q131-Y135 PolarHBondContact O-N 3.43Å; Q132-Y135 WeakPolarHBondContact O-CE2 3.39Å; Y135-Y174 HydrophobicContact CE1-CE2 4.4Å; Y135-R190 HydrophobicContact CE1-CG 4.27Å; Y135-D193 HydrophobicContact CD1-CB 4.24Å
136N72.4Confident73.9Confident62 Ų6250.2 Ų50.233%0.33223%0.231SC..  trans-106.191.5-177.6-174.6-26.9000112.2Y78 Q131 T134 D138 N139 F140Y78-N136 HydrophobicContact CD2-CB 3.85Å; Y78-N136 HydrophobicContact CE2-CB 3.77Å; Y78-N136 VanDerWaalsContact CE2-O 3.31Å; Y78-N136 WeakPolarHBondContact CE2-O 3.47Å; Q131-N136 VanDerWaalsContact OE1-C 3.29Å; Q131-N136 PolarHBondContact OE1-O 3.39Å; Q131-N136 VanDerWaalsContact OE1-O 3.12Å; T134-N136 PolarHBondContact O-N 3.14Å; N136-D138 PolarHBondContact O-N 3.03Å; N136-D138 PolarHBondContact OD1-N 2.99Å; N136-N139 PolarHBondContact ND2-ND2 3.49Å; N136-N139 PolarHBondContact OD1-N 2.85Å; N136-F140 PolarHBondContact O-N 2.66Å; N136-F140 VanDerWaalsContact O-N 3.14Å
137I68.5Low73.4Confident23 Ų2349.3 Ų49.312%0.11823%0.228CC..Hα-helixtrans-66.4-31.4-173.2-167.263.7000114.9F140 K141 N196 V197I137-F140 HydrophobicContact CD1-CB 4.32Å; I137-F140 HydrophobicContact CD1-CD1 4.02Å; I137-F140 WeakPolarHBondContact O-CB 3.32Å; I137-F140 PolarHBondContact O-N 3.01Å; I137-K141 HydrophobicContact CG1-CD 4.28Å; I137-K141 HydrophobicContact CG1-CG 4.34Å; I137-K141 WeakPolarHBondContact O-CB 3.42Å; I137-K141 WeakPolarHBondContact O-CG 3.39Å; I137-K141 PolarHBondContact O-N 2.8Å; I137-N196 HydrophobicContact CD1-CB 3.53Å; I137-N196 HydrophobicContact CG1-CB 3.68Å; I137-V197 HydrophobicContact CD1-CG2 4.22Å
138D72.9Confident72.7Confident117 Ų11749.4 Ų49.463%0.62623%0.229SC*.Hα-helixtrans-68.9-41.7-176.7-69-31.5000110.7N136 K141 K142N136-D138 PolarHBondContact O-N 3.03Å; N136-D138 PolarHBondContact OD1-N 2.99Å; D138-K141 PolarHBondContact O-N 3.23Å; D138-K142 WeakPolarHBondContact O-CB 3.49Å; D138-K142 PolarHBondContact O-N 3.35Å
139N74.2Confident72.2Confident41 Ų4154.3 Ų54.322%0.21926%0.255CS..Hα-helixtrans-67.4-40.6172.6-76.5-26.6000111.5Y78 N136 K141 K142 Y143Y78-N139 HydrophobicContact CD1-CB 3.6Å; Y78-N139 HydrophobicContact CD2-CB 3.63Å; Y78-N139 HydrophobicContact CE1-CB 3.9Å; Y78-N139 HydrophobicContact CE2-CB 3.89Å; Y78-N139 HydrophobicContact CG-CB 3.48Å; Y78-N139 VanDerWaalsContact CG-CB 3.48Å; N136-N139 PolarHBondContact ND2-ND2 3.49Å; N136-N139 PolarHBondContact OD1-N 2.85Å; N139-K141 PolarHBondContact O-N 3.49Å; N139-K142 PolarHBondContact O-N 3.02Å; N139-Y143 WeakPolarHBondContact O-CD2 3.21Å; N139-Y143 PolarHBondContact O-N 2.84Å
140F74.7Confident71.7Confident0 Ų052.4 Ų52.40%025%0.245CC..Hα-helixtrans-55.3-53.2172.5-174.6-102.4000111.5Y78 L127 L128 Q131 N136 I137 K142 Y143 R144 V197 C200Y78-F140 WeakPolarHBondContact OH-CA 3.37Å; Y78-F140 VanDerWaalsContact OH-CB 3.26Å; Y78-F140 WeakPolarHBondContact OH-CB 3.13Å; L127-F140 HydrophobicContact CB-CE2 4.45Å; L128-F140 HydrophobicContact CD2-CE2 4.2Å; L128-F140 HydrophobicContact CD2-CZ 4.18Å; Q131-F140 HydrophobicContact CB-CD2 3.81Å; Q131-F140 HydrophobicContact CB-CE2 4.26Å; Q131-F140 HydrophobicContact CB-CG 4.49Å; Q131-F140 HydrophobicContact CG-CD2 4.06Å; Q131-F140 HydrophobicContact CG-CG 4.3Å; N136-F140 PolarHBondContact O-N 2.66Å; N136-F140 VanDerWaalsContact O-N 3.14Å; I137-F140 HydrophobicContact CD1-CB 4.32Å; I137-F140 HydrophobicContact CD1-CD1 4.02Å; I137-F140 WeakPolarHBondContact O-CB 3.32Å; I137-F140 PolarHBondContact O-N 3.01Å; F140-K142 VanDerWaalsContact C-N 3.34Å; F140-K142 PolarHBondContact O-N 2.95Å; F140-Y143 PolarHBondContact O-N 3.39Å; F140-R144 HydrophobicContact CD1-CB 4.46Å; F140-R144 HydrophobicContact CE1-CB 4.29Å; F140-R144 HydrophobicContact CE1-CG 4.25Å; F140-R144 HydrophobicContact CZ-CG 4.42Å; F140-R144 WeakPolarHBondContact O-CB 3.18Å; F140-R144 PolarHBondContact O-N 3.35Å; F140-V197 HydrophobicContact CD1-CG2 4.47Å; F140-V197 HydrophobicContact CE1-CG1 4.21Å; F140-V197 HydrophobicContact CE1-CG2 4.31Å; F140-V197 HydrophobicContact CZ-CG1 4.14Å; F140-C200 HydrophobicContact CE1-CB 4.09Å
141K72.5Confident71.2Confident58 Ų5852.7 Ų52.725%0.25225%0.246SC..Hα-helixtrans-58.2-43.2179.4-80.2177.4178.8173.80112.2I137 D138 N139 R144 R145 C200I137-K141 HydrophobicContact CG1-CD 4.28Å; I137-K141 HydrophobicContact CG1-CG 4.34Å; I137-K141 WeakPolarHBondContact O-CB 3.42Å; I137-K141 WeakPolarHBondContact O-CG 3.39Å; I137-K141 PolarHBondContact O-N 2.8Å; D138-K141 PolarHBondContact O-N 3.23Å; N139-K141 PolarHBondContact O-N 3.49Å; K141-R144 PolarHBondContact O-N 3.27Å; K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 WeakPolarHBondContact O-CG 3.24Å; K141-R145 PolarHBondContact O-N 3.49Å; K141-C200 VanDerWaalsContact CG-SG 3.6Å
142K77.1Confident70.4Confident118 Ų11853.1 Ų53.151%0.51325%0.248SC..Hα-helixtrans-60.5-48.6178.9-177.7-178.3177.9-176.80112.2D138 N139 F140D138-K142 WeakPolarHBondContact O-CB 3.49Å; D138-K142 PolarHBondContact O-N 3.35Å; N139-K142 PolarHBondContact O-N 3.02Å; F140-K142 VanDerWaalsContact C-N 3.34Å; F140-K142 PolarHBondContact O-N 2.95Å
143Y74.7Confident69.9Low5 Ų552.7 Ų52.72%0.0225%0.253CS..Hα-helixtrans-75.4-34.8179.2-70.5-61.9000112.5Y78 F81 T82 I89 L127 N139 F140 K146Y78-Y143 AromaticContact CD1-CD2 3.89Å; Y78-Y143 HydrophobicContact CD1-CD2 3.89Å; Y78-Y143 HydrophobicContact CD1-CE2 4.05Å; Y78-Y143 HydrophobicContact CE1-CD2 4.13Å; F81-Y143 HydrophobicContact CD1-CD2 4.31Å; F81-Y143 HydrophobicContact CD1-CE2 4.47Å; F81-Y143 HydrophobicContact CD1-CG 4.38Å; F81-Y143 HydrophobicContact CE1-CD1 4.09Å; F81-Y143 HydrophobicContact CE1-CD2 4.39Å; F81-Y143 HydrophobicContact CE1-CG 4.02Å; T82-Y143 VanDerWaalsContact CB-OH 3.32Å; T82-Y143 WeakPolarHBondContact CB-OH 3.46Å; T82-Y143 WeakPolarHBondContact CG2-OH 3.49Å; T82-Y143 VanDerWaalsContact OG1-CZ 3.29Å; T82-Y143 PolarHBondContact OG1-OH 3.08Å; I89-Y143 HydrophobicContact CD1-CD1 4.11Å; L127-Y143 HydrophobicContact CD2-CD2 4.49Å; L127-Y143 HydrophobicContact CD2-CG 4.31Å; N139-Y143 WeakPolarHBondContact O-CD2 3.21Å; N139-Y143 PolarHBondContact O-N 2.84Å; F140-Y143 PolarHBondContact O-N 3.39Å; Y143-K146 PolarHBondContact O-N 2.91Å
144R73.8Confident69.2Low6 Ų650.4 Ų50.42%0.02324%0.243CC..Hα-helixtrans-64.2-47.6179-171.762.5177.7-175.7-7.8111.8H124 F140 K141 K146 I147 A148 L151 D204H124-R144 PolarHBondContact CE1-NH1 3.18Å; H124-R144 PolarHBondContact CE1-NH2 3.44Å; H124-R144 PolarHBondContact ND1-NH1 3.03Å; H124-R144 PolarHBondContact NE2-NH1 2.91Å; H124-R144 PolarHBondContact NE2-NH2 2.93Å; F140-R144 HydrophobicContact CD1-CB 4.46Å; F140-R144 HydrophobicContact CE1-CB 4.29Å; F140-R144 HydrophobicContact CE1-CG 4.25Å; F140-R144 HydrophobicContact CZ-CG 4.42Å; F140-R144 WeakPolarHBondContact O-CB 3.18Å; F140-R144 PolarHBondContact O-N 3.35Å; K141-R144 PolarHBondContact O-N 3.27Å; R144-K146 PolarHBondContact O-N 2.66Å; R144-I147 CarbonylContact O-C 3.59Å; R144-I147 PolarHBondContact O-N 3.44Å; R144-A148 WeakPolarHBondContact O-CB 3.09Å; R144-A148 PolarHBondContact O-N 2.8Å; R144-L151 VanDerWaalsContact CZ-CD1 3.44Å; R144-L151 VanDerWaalsContact NH1-CD1 3.28Å; R144-D204 IonicContact CZ-OD2 3.97Å; R144-D204 IonicContact NE-OD2 3.28Å; R144-D204 PolarHBondContact NE-OD2 3.33Å; R144-D204 IonicContact NH2-OD2 3.7Å
145R72.4Confident68.3Low178 Ų17852.2 Ų52.267%0.67225%0.251SS*.Hα-helixtrans-54.7-35.7176.5-81.4-179.1-179.3164.2-0.3113.5K141 I147K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 WeakPolarHBondContact O-CG 3.24Å; K141-R145 PolarHBondContact O-N 3.49Å; R145-I147 VanDerWaalsContact C-N 3.27Å; R145-I147 PolarHBondContact O-N 2.79Å
146K72.8Confident67.9Low66 Ų6653.1 Ų53.129%0.28726%0.256SS..Hα-helixtrans-66.8-28.6177.4-70.2-174.4173.1-163.60113.1N86 I89 N90 V93 Y143 R144N86-K146 PolarHBondContact OD1-NZ 2.89Å; I89-K146 HydrophobicContact CG2-CB 3.83Å; I89-K146 HydrophobicContact CG2-CD 4.01Å; N90-K146 PolarHBondContact OD1-NZ 2.85Å; V93-K146 WeakPolarHBondContact CG2-O 3.23Å; Y143-K146 PolarHBondContact O-N 2.91Å; R144-K146 PolarHBondContact O-N 2.66Å
147I70.8Confident67.3Low3 Ų355 Ų552%0.01526%0.264CS..Hα-helixtrans-106.9-20.1-172.1-52.5171.8000111.4I89 L120 I123 L127 R144 R145 D149 L150 L151I89-I147 HydrophobicContact CD1-CD1 3.84Å; I89-I147 HydrophobicContact CG1-CD1 3.85Å; I89-I147 HydrophobicContact CG1-CG1 4.31Å; I89-I147 HydrophobicContact CG2-CD1 4.21Å; I89-I147 HydrophobicContact CG2-CG1 3.76Å; L120-I147 HydrophobicContact CD1-CG2 4.27Å; L120-I147 HydrophobicContact CD2-CG2 4.48Å; L120-I147 HydrophobicContact CG-CG2 4.16Å; I123-I147 HydrophobicContact CG2-CD1 3.53Å; L127-I147 HydrophobicContact CD1-CD1 3.62Å; R144-I147 CarbonylContact O-C 3.59Å; R144-I147 PolarHBondContact O-N 3.44Å; R145-I147 VanDerWaalsContact C-N 3.27Å; R145-I147 PolarHBondContact O-N 2.79Å; I147-D149 PolarHBondContact O-N 2.96Å; I147-L150 HydrophobicContact CG2-CB 4.49Å; I147-L150 HydrophobicContact CG2-CD1 4.45Å; I147-L150 WeakPolarHBondContact O-CA 3.23Å; I147-L150 VanDerWaalsContact O-CB 3.3Å; I147-L150 WeakPolarHBondContact O-CB 3.38Å; I147-L150 PolarHBondContact O-N 2.88Å; I147-L151 HydrophobicContact CG2-CD1 3.98Å; I147-L151 HydrophobicContact CG2-CG 3.95Å; I147-L151 WeakPolarHBondContact O-CG 3.49Å; I147-L151 PolarHBondContact O-N 2.95Å
148A66.5Low67.1Low3 Ų362.7 Ų62.73%0.02530%0.296CS..Hα-helixtrans-49.8-53.1-179.200000112R144 L150 L151 F152 D204R144-A148 WeakPolarHBondContact O-CB 3.09Å; R144-A148 PolarHBondContact O-N 2.8Å; A148-L150 PolarHBondContact O-N 3.32Å; A148-L151 PolarHBondContact O-N 3.47Å; A148-L151 VanDerWaalsContact O-N 3.11Å; A148-F152 WeakPolarHBondContact O-CD2 3.43Å; A148-F152 PolarHBondContact O-N 3.34Å; A148-D204 HydrophobicContact CB-CB 4.26Å; A148-D204 VanDerWaalsContact CB-OD1 3.24Å; A148-D204 WeakPolarHBondContact CB-OD1 3.2Å
149D64.7Low66.8Low107 Ų10757.8 Ų57.857%0.57227%0.271SS*.Hα-helixtrans-58.4-33.7177.7-61.9-19.4000112.2I147 A153I147-D149 PolarHBondContact O-N 2.96Å; D149-A153 WeakPolarHBondContact O-CB 3.44Å; D149-A153 PolarHBondContact O-N 3.06Å
150L67.8Low66.3Low15 Ų1556 Ų568%0.07926%0.261CS..Hα-helixtrans-75.2-33.2179.5-51177.1000113.1L92 V93 N96 L120 I147 A148 F152L92-L150 HydrophobicContact CB-CD1 3.96Å; V93-L150 HydrophobicContact CB-CD1 4.44Å; V93-L150 HydrophobicContact CG2-CD1 3.74Å; V93-L150 HydrophobicContact CG2-CG 4.36Å; N96-L150 HydrophobicContact CB-CD2 3.18Å; N96-L150 WeakPolarHBondContact ND2-CD2 3.46Å; L120-L150 HydrophobicContact CD1-CB 3.85Å; L120-L150 HydrophobicContact CD1-CD1 3.95Å; L120-L150 HydrophobicContact CD2-CB 3.98Å; L120-L150 WeakPolarHBondContact CD2-O 3.43Å; I147-L150 HydrophobicContact CG2-CB 4.49Å; I147-L150 HydrophobicContact CG2-CD1 4.45Å; I147-L150 WeakPolarHBondContact O-CA 3.23Å; I147-L150 VanDerWaalsContact O-CB 3.3Å; I147-L150 WeakPolarHBondContact O-CB 3.38Å; I147-L150 PolarHBondContact O-N 2.88Å; A148-L150 PolarHBondContact O-N 3.32Å; L150-F152 VanDerWaalsContact C-N 3.29Å; L150-F152 PolarHBondContact O-N 3.43Å
151L65.8Low66Low5 Ų557.5 Ų57.53%0.02627%0.272CS..Hα-helixtrans-68-32.7-177.1-74.4158000111.7L120 H124 R144 I147 A148 Y163L120-L151 HydrophobicContact CD2-CB 4.37Å; L120-L151 HydrophobicContact CD2-CD2 3.62Å; L120-L151 HydrophobicContact CD2-CG 3.85Å; L120-L151 HydrophobicContact CG-CD2 4.27Å; H124-L151 HydrophobicContact CB-CD2 4.22Å; R144-L151 VanDerWaalsContact CZ-CD1 3.44Å; R144-L151 VanDerWaalsContact NH1-CD1 3.28Å; I147-L151 HydrophobicContact CG2-CD1 3.98Å; I147-L151 HydrophobicContact CG2-CG 3.95Å; I147-L151 WeakPolarHBondContact O-CG 3.49Å; I147-L151 PolarHBondContact O-N 2.95Å; A148-L151 PolarHBondContact O-N 3.47Å; A148-L151 VanDerWaalsContact O-N 3.11Å; L151-Y163 HydrophobicContact CB-CD2 4.19Å; L151-Y163 HydrophobicContact CB-CE2 4.36Å; L151-Y163 HydrophobicContact CD2-CD1 3.76Å; L151-Y163 HydrophobicContact CD2-CD2 3.58Å; L151-Y163 HydrophobicContact CD2-CE1 3.89Å; L151-Y163 HydrophobicContact CD2-CE2 3.74Å; L151-Y163 HydrophobicContact CD2-CG 3.62Å; L151-Y163 VanDerWaalsContact O-CE2 3.26Å; L151-Y163 WeakPolarHBondContact O-CE2 3.21Å
152F61.6Low66Low13 Ų1358.4 Ų58.46%0.05728%0.276CS..Hα-helixtrans-113.4-2.4-173-62.2-82.5000114.9A148 L150 E154 V160 L164 D204 F205 S210A148-F152 WeakPolarHBondContact O-CD2 3.43Å; A148-F152 PolarHBondContact O-N 3.34Å; L150-F152 VanDerWaalsContact C-N 3.29Å; L150-F152 PolarHBondContact O-N 3.43Å; F152-E154 VanDerWaalsContact C-N 3.27Å; F152-E154 PolarHBondContact O-N 3.4Å; F152-E154 VanDerWaalsContact O-N 3.12Å; F152-V160 HydrophobicContact CD1-CG1 4.43Å; F152-V160 HydrophobicContact CE1-CG1 4.35Å; F152-L164 HydrophobicContact CE1-CD2 4.46Å; F152-L164 HydrophobicContact CZ-CD2 4.47Å; F152-D204 HydrophobicContact CD2-CB 4.31Å; F152-D204 HydrophobicContact CE2-CB 3.64Å; F152-D204 HydrophobicContact CZ-CB 4.43Å; F152-F205 AromaticContact CE1-CD1 3.76Å; F152-F205 HydrophobicContact CE1-CD1 3.76Å; F152-F205 AromaticContact CE1-CE1 3.92Å; F152-F205 HydrophobicContact CE1-CE1 3.92Å; F152-F205 HydrophobicContact CZ-CD1 4.02Å; F152-F205 HydrophobicContact CZ-CE1 4.24Å; F152-F205 HydrophobicContact CZ-CG 4.48Å; F152-S210 PolarHBondContact O-OG 3.3Å
153A59.9Low65.8Low41 Ų4153.1 Ų53.134%0.33925%0.253SS..SBendtrans-59.5-22.3-174.300000116.2D149D149-A153 WeakPolarHBondContact O-CB 3.44Å; D149-A153 PolarHBondContact O-N 3.06Å
154E52.9Low65.5Low59 Ų5953 Ų5328%0.27625%0.253SS..SBendtrans-148.6144.1-172.5-77.9-174.315700118R101 F152 K156R101-E154 VanDerWaalsContact CD-OE2 3.26Å; R101-E154 WeakPolarHBondContact CD-OE2 3.22Å; R101-E154 IonicContact CZ-OE2 2.64Å; R101-E154 IonicContact NE-OE2 2.72Å; R101-E154 IonicContact NH1-OE2 3.73Å; R101-E154 PolarHBondContact NH1-OE2 3.02Å; R101-E154 VanDerWaalsContact NH1-OE2 3.14Å; F152-E154 VanDerWaalsContact C-N 3.27Å; F152-E154 PolarHBondContact O-N 3.4Å; F152-E154 VanDerWaalsContact O-N 3.12Å; E154-K156 VanDerWaalsContact C-N 3.28Å; E154-K156 PolarHBondContact O-N 3.3Å
155N53.5Low65.5Low87 Ų8755.2 Ų55.247%0.46527%0.269SS..  trans-52.217.2-168.8-68.7-9.2000120.7E157 D212N155-E157 PolarHBondContact O-N 3.3Å; N155-D212 PolarHBondContact ND2-OD2 2.94Å
156K57.8Low65.5Low108 Ų10847.3 Ų47.347%0.4724%0.24SC..  trans-88.7100.6173.1-75.8-171.9-175.2168.70110.9E154 K158 S159 V160E154-K156 VanDerWaalsContact C-N 3.28Å; E154-K156 PolarHBondContact O-N 3.3Å; K156-K158 PolarHBondContact O-N 3Å; K156-S159 PolarHBondContact O-N 3.36Å; K156-S159 PolarHBondContact O-OG 2.98Å; K156-V160 PolarHBondContact O-N 3.04Å
157E59Low65.5Low103 Ų10344.3 Ų44.348%0.48123%0.228SC..Hα-helixtrans-43.2-36.6173.9-170168-163.600113.9N155 S161 L213 T216N155-E157 PolarHBondContact O-N 3.3Å; E157-S161 WeakPolarHBondContact O-CB 3.29Å; E157-S161 PolarHBondContact O-N 3.15Å; E157-L213 VanDerWaalsContact CA-CD2 3.41Å; E157-L213 HydrophobicContact CB-CD2 3.65Å; E157-L213 HydrophobicContact CG-CD2 3.97Å; E157-T216 HydrophobicContact CG-CG2 3.52Å; E157-T216 WeakPolarHBondContact CG-OG1 3.42Å; E157-T216 PolarHBondContact OE1-OG1 2.96Å
158K64.9Low65.4Low183 Ų18345.2 Ų45.280%0.79623%0.232SC*.Hα-helixtrans-67.6-39.8-179.9-69.9-174.5178.5-178.20115K156 K162K156-K158 PolarHBondContact O-N 3Å; K158-K162 PolarHBondContact O-N 3.44Å; K158-K162 VanDerWaalsContact O-N 3.08Å
159S65Low65.8Low15 Ų1548.5 Ų48.511%0.10525%0.246CC..Hα-helixtrans-75.3-45.8-17748.10000110.7K156 S161 K162 Y163K156-S159 PolarHBondContact O-N 3.36Å; K156-S159 PolarHBondContact O-OG 2.98Å; S159-S161 VanDerWaalsContact C-N 3.31Å; S159-S161 PolarHBondContact O-N 3.34Å; S159-K162 WeakPolarHBondContact O-CB 3.28Å; S159-K162 PolarHBondContact O-N 3.43Å; S159-Y163 VanDerWaalsContact O-CD2 3.26Å; S159-Y163 WeakPolarHBondContact O-CD2 3.26Å; S159-Y163 VanDerWaalsContact O-CG 3.26Å; S159-Y163 PolarHBondContact O-N 3.26Å
160V65.1Low66.1Low3 Ų344.1 Ų44.12%0.01822%0.222CC..Hα-helixtrans-58-46.5172.9178.90000110.2F152 K156 K162 Y163 L164 L213F152-V160 HydrophobicContact CD1-CG1 4.43Å; F152-V160 HydrophobicContact CE1-CG1 4.35Å; K156-V160 PolarHBondContact O-N 3.04Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 3.27Å; V160-Y163 PolarHBondContact O-N 2.91Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.22Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.43Å; V160-L213 HydrophobicContact CB-CD1 4.31Å; V160-L213 HydrophobicContact CG2-CD1 3.81Å
161S67.1Low66Low32 Ų3243.5 Ų43.522%0.22422%0.219CC..Hα-helixtrans-54.1-41.4173.9174.80000112.9E157 S159 S165 Y220E157-S161 WeakPolarHBondContact O-CB 3.29Å; E157-S161 PolarHBondContact O-N 3.15Å; S159-S161 VanDerWaalsContact C-N 3.31Å; S159-S161 PolarHBondContact O-N 3.34Å; S161-S165 VanDerWaalsContact O-CB 3.3Å; S161-S165 WeakPolarHBondContact O-CB 3.32Å; S161-S165 PolarHBondContact O-N 3.49Å; S161-Y220 VanDerWaalsContact CA-CE2 3.46Å; S161-Y220 VanDerWaalsContact O-CZ 3.24Å; S161-Y220 PolarHBondContact O-OH 3.13Å; S161-Y220 VanDerWaalsContact O-OH 3.07Å; S161-Y220 WeakPolarHBondContact OG-CE2 3.47Å; S161-Y220 VanDerWaalsContact OG-CZ 3.32Å; S161-Y220 PolarHBondContact OG-OH 3.43Å
162K72.4Confident66.1Low77 Ų7747.6 Ų47.634%0.33524%0.238SC..Hα-helixtrans-67-46.7176.4-169.9-178.2178-165.10112.3N118 A121 K158 S159 V160 L164 S165 D166N118-K162 PolarHBondContact OD1-NZ 2.89Å; A121-K162 HydrophobicContact CB-CD 4.03Å; K158-K162 PolarHBondContact O-N 3.44Å; K158-K162 VanDerWaalsContact O-N 3.08Å; S159-K162 WeakPolarHBondContact O-CB 3.28Å; S159-K162 PolarHBondContact O-N 3.43Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 3.27Å; K162-L164 VanDerWaalsContact C-N 3.3Å; K162-L164 PolarHBondContact O-N 3.44Å; K162-S165 WeakPolarHBondContact O-CB 3.42Å; K162-S165 PolarHBondContact O-N 3.11Å; K162-S165 VanDerWaalsContact O-N 3.16Å; K162-D166 PolarHBondContact O-N 2.68Å
163Y72.8Confident66.4Low6 Ų650.9 Ų50.92%0.02425%0.254CS..Hα-helixtrans-59.9-42.5178-54.8-34.6000111.9D117 L120 A121 L151 S159 V160 S165 D166 A167D117-Y163 PolarHBondContact O-OH 2.88Å; L120-Y163 HydrophobicContact CD2-CE2 4.33Å; A121-Y163 VanDerWaalsContact CA-CE1 3.43Å; A121-Y163 HydrophobicContact CB-CD1 3.93Å; A121-Y163 HydrophobicContact CB-CE1 3.56Å; L151-Y163 HydrophobicContact CB-CD2 4.19Å; L151-Y163 HydrophobicContact CB-CE2 4.36Å; L151-Y163 HydrophobicContact CD2-CD1 3.76Å; L151-Y163 HydrophobicContact CD2-CD2 3.58Å; L151-Y163 HydrophobicContact CD2-CE1 3.89Å; L151-Y163 HydrophobicContact CD2-CE2 3.74Å; L151-Y163 HydrophobicContact CD2-CG 3.62Å; L151-Y163 VanDerWaalsContact O-CE2 3.26Å; L151-Y163 WeakPolarHBondContact O-CE2 3.21Å; S159-Y163 VanDerWaalsContact O-CD2 3.26Å; S159-Y163 WeakPolarHBondContact O-CD2 3.26Å; S159-Y163 VanDerWaalsContact O-CG 3.26Å; S159-Y163 PolarHBondContact O-N 3.26Å; V160-Y163 PolarHBondContact O-N 2.91Å; Y163-S165 VanDerWaalsContact C-N 3.35Å; Y163-D166 PolarHBondContact O-N 2.96Å; Y163-A167 PolarHBondContact O-N 3.01Å
164L69.6Low66.5Low4 Ų450.2 Ų50.22%0.02124%0.242CC..Hα-helixtrans-68.9-35.4177.2-62.2-175.2000111.9F152 V160 K162 E168 F205 Y220F152-L164 HydrophobicContact CE1-CD2 4.46Å; F152-L164 HydrophobicContact CZ-CD2 4.47Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.22Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.43Å; K162-L164 VanDerWaalsContact C-N 3.3Å; K162-L164 PolarHBondContact O-N 3.44Å; L164-E168 WeakPolarHBondContact O-CB 3.29Å; L164-E168 PolarHBondContact O-N 3.1Å; L164-F205 HydrophobicContact CD1-CE1 3.71Å; L164-F205 HydrophobicContact CD1-CZ 3.85Å; L164-F205 HydrophobicContact CD2-CE1 3.46Å; L164-F205 VanDerWaalsContact CD2-CE1 3.46Å; L164-F205 HydrophobicContact CD2-CE2 4.08Å; L164-F205 HydrophobicContact CD2-CZ 3.14Å; L164-F205 HydrophobicContact CG-CE1 4.2Å; L164-F205 HydrophobicContact CG-CZ 4.09Å; L164-Y220 HydrophobicContact CB-CD1 3.48Å; L164-Y220 VanDerWaalsContact CB-CD1 3.48Å; L164-Y220 HydrophobicContact CB-CD2 4.13Å; L164-Y220 HydrophobicContact CB-CE1 3.94Å; L164-Y220 HydrophobicContact CB-CG 3.6Å; L164-Y220 VanDerWaalsContact CD1-CB 3.49Å; L164-Y220 HydrophobicContact CD1-CD1 4.41Å; L164-Y220 HydrophobicContact CD1-CD2 3.83Å; L164-Y220 HydrophobicContact CD1-CG 3.64Å; L164-Y220 HydrophobicContact CG-CG 4.27Å
165S73.4Confident66.3Low52 Ų5252.3 Ų52.336%0.36426%0.26SS..Hα-helixtrans-66.9-37.3172.7-171.20000112.6S161 K162 Y163 E168 E169S161-S165 VanDerWaalsContact O-CB 3.3Å; S161-S165 WeakPolarHBondContact O-CB 3.32Å; S161-S165 PolarHBondContact O-N 3.49Å; K162-S165 WeakPolarHBondContact O-CB 3.42Å; K162-S165 PolarHBondContact O-N 3.11Å; K162-S165 VanDerWaalsContact O-N 3.16Å; Y163-S165 VanDerWaalsContact C-N 3.35Å; S165-E168 PolarHBondContact O-N 3.31Å; S165-E169 WeakPolarHBondContact O-CB 3.44Å; S165-E169 PolarHBondContact O-N 2.91Å
166D73.4Confident66.3Low12 Ų1250.7 Ų50.76%0.06425%0.249CC..Hα-helixtrans-70.3-38.9176.2-76.5-43.8000111.2K125 K162 Y163 E169 F170K125-D166 IonicContact NZ-OD1 3.42Å; K125-D166 PolarHBondContact NZ-OD1 3.13Å; K162-D166 PolarHBondContact O-N 2.68Å; Y163-D166 PolarHBondContact O-N 2.96Å; D166-E169 PolarHBondContact O-N 3.01Å; D166-F170 WeakPolarHBondContact O-CB 3.26Å; D166-F170 PolarHBondContact O-N 3.4Å
167A71.7Confident65.9Low3 Ų347.7 Ų47.73%0.02524%0.241CC..Hα-helixtrans-65.3-41.1171.600000111.6Y163 F170 L171Y163-A167 PolarHBondContact O-N 3.01Å; A167-F170 PolarHBondContact O-N 2.77Å; A167-L171 WeakPolarHBondContact O-CB 3.49Å; A167-L171 WeakPolarHBondContact O-CG 3.36Å; A167-L171 PolarHBondContact O-N 2.94Å
168E68.4Low65.3Low22 Ų2250.3 Ų50.310%0.10326%0.259CS..Hα-helixtrans-60.5-46.7172.5-173.7-174.7168.900110.9L164 S165 F170 L171 Q172 K223 V227L164-E168 WeakPolarHBondContact O-CB 3.29Å; L164-E168 PolarHBondContact O-N 3.1Å; S165-E168 PolarHBondContact O-N 3.31Å; E168-F170 PolarHBondContact O-N 3.42Å; E168-L171 CarbonylContact O-C 3.56Å; E168-L171 PolarHBondContact O-N 3.11Å; E168-Q172 HydrophobicContact CG-CG 4.45Å; E168-Q172 WeakPolarHBondContact O-CB 3.38Å; E168-Q172 VanDerWaalsContact O-CG 3.28Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 3.09Å; E168-Q172 PolarHBondContact OE1-NE2 3.11Å; E168-Q172 VanDerWaalsContact OE1-NE2 3.09Å; E168-K223 WeakPolarHBondContact OE2-CD 3.07Å; E168-V227 HydrophobicContact CG-CG2 3.97Å
169E74.4Confident64.6Low71 Ų7146.5 Ų46.533%0.33225%0.247SC..Hα-helixtrans-59.7-45.9177-171.8-175-175.400111K125 S165 D166 Q172 Q173K125-E169 IonicContact NZ-OE2 3.83Å; K125-E169 PolarHBondContact NZ-OE2 3.06Å; S165-E169 WeakPolarHBondContact O-CB 3.44Å; S165-E169 PolarHBondContact O-N 2.91Å; D166-E169 PolarHBondContact O-N 3.01Å; E169-Q172 CarbonylContact O-C 3.52Å; E169-Q172 WeakPolarHBondContact O-CB 3.39Å; E169-Q172 PolarHBondContact O-N 3.4Å; E169-Q173 HydrophobicContact CG-CG 4.38Å; E169-Q173 WeakPolarHBondContact O-CB 3.27Å; E169-Q173 WeakPolarHBondContact O-CG 3.49Å; E169-Q173 PolarHBondContact O-N 3.14Å; E169-Q173 PolarHBondContact OE1-NE2 2.85Å
170F71.7Confident64Low15 Ų1550.6 Ų50.67%0.06628%0.275CS..Hα-helixtrans-60.4-47175.3171.5-94000112L128 Q132 D166 A167 E168 Q172 Q173 Y174 V197L128-F170 HydrophobicContact CB-CB 4.23Å; L128-F170 HydrophobicContact CB-CD2 3.7Å; L128-F170 HydrophobicContact CB-CE2 4.22Å; L128-F170 HydrophobicContact CB-CG 3.97Å; L128-F170 HydrophobicContact CD1-CB 3.87Å; L128-F170 HydrophobicContact CD1-CG 4.28Å; L128-F170 HydrophobicContact CD2-CB 4.32Å; L128-F170 HydrophobicContact CD2-CD1 3.83Å; L128-F170 HydrophobicContact CD2-CD2 4.25Å; L128-F170 HydrophobicContact CD2-CE1 4.18Å; L128-F170 HydrophobicContact CD2-CG 3.86Å; L128-F170 HydrophobicContact CG-CB 4.37Å; L128-F170 HydrophobicContact CG-CD2 4.45Å; L128-F170 HydrophobicContact CG-CG 4.25Å; L128-F170 WeakPolarHBondContact O-CE2 3.47Å; Q132-F170 HydrophobicContact CB-CE2 3.89Å; Q132-F170 HydrophobicContact CG-CE2 4.21Å; D166-F170 WeakPolarHBondContact O-CB 3.26Å; D166-F170 PolarHBondContact O-N 3.4Å; A167-F170 PolarHBondContact O-N 2.77Å; E168-F170 PolarHBondContact O-N 3.42Å; F170-Q172 VanDerWaalsContact C-N 3.26Å; F170-Q172 PolarHBondContact O-N 3.35Å; F170-Q173 PolarHBondContact O-N 3.17Å; F170-Y174 PolarHBondContact O-N 3.48Å; F170-Y174 VanDerWaalsContact O-N 3.11Å; F170-V197 HydrophobicContact CD1-CG1 4.41Å; F170-V197 HydrophobicContact CE1-CB 4.45Å; F170-V197 HydrophobicContact CE1-CG1 3.79Å
171L66.4Low63.7Low2 Ų257.4 Ų57.41%0.0131%0.312CS..Hα-helixtrans-63.6-33.4176.4-67.3171.6000111A167 E168 Y174 Y194 L198 L224 V227 K231A167-L171 WeakPolarHBondContact O-CB 3.49Å; A167-L171 WeakPolarHBondContact O-CG 3.36Å; A167-L171 PolarHBondContact O-N 2.94Å; E168-L171 CarbonylContact O-C 3.56Å; E168-L171 PolarHBondContact O-N 3.11Å; L171-Y174 WeakPolarHBondContact O-CB 3.3Å; L171-Y194 HydrophobicContact CB-CE2 4.35Å; L171-Y194 HydrophobicContact CD2-CD2 4.03Å; L171-Y194 HydrophobicContact CD2-CE2 3.35Å; L171-Y194 HydrophobicContact CG-CE2 4.44Å; L171-L198 HydrophobicContact CD1-CD1 4.27Å; L171-L224 HydrophobicContact CD1-CD1 4.31Å; L171-L224 HydrophobicContact CD1-CD2 3.81Å; L171-L224 HydrophobicContact CD1-CG 3.91Å; L171-V227 HydrophobicContact CB-CG1 4.06Å; L171-K231 WeakPolarHBondContact O-CD 3.45Å; L171-K231 WeakPolarHBondContact O-CE 3.44Å; L171-K231 PolarHBondContact O-NZ 3.25Å
172Q67.7Low63.6Low92 Ų9257.1 Ų57.143%0.4331%0.307SS..Hα-helixtrans-74.2-32.4174.2-76.9-177.68.700114E168 E169 F170 Y174 V227 K231E168-Q172 HydrophobicContact CG-CG 4.45Å; E168-Q172 WeakPolarHBondContact O-CB 3.38Å; E168-Q172 VanDerWaalsContact O-CG 3.28Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 3.09Å; E168-Q172 PolarHBondContact OE1-NE2 3.11Å; E168-Q172 VanDerWaalsContact OE1-NE2 3.09Å; E169-Q172 CarbonylContact O-C 3.52Å; E169-Q172 WeakPolarHBondContact O-CB 3.39Å; E169-Q172 PolarHBondContact O-N 3.4Å; F170-Q172 VanDerWaalsContact C-N 3.26Å; F170-Q172 PolarHBondContact O-N 3.35Å; Q172-Y174 VanDerWaalsContact C-N 3.26Å; Q172-Y174 PolarHBondContact O-N 3.44Å; Q172-V227 HydrophobicContact CB-CG1 4.47Å; Q172-V227 HydrophobicContact CG-CB 4.29Å; Q172-V227 HydrophobicContact CG-CG1 3.61Å; Q172-V227 HydrophobicContact CG-CG2 3.61Å; Q172-K231 VanDerWaalsContact CA-NZ 3.35Å; Q172-K231 WeakPolarHBondContact O-CE 3.47Å; Q172-K231 PolarHBondContact O-NZ 3.23Å
173Q68.4Low63.3Low81 Ų8157.1 Ų57.138%0.37931%0.314SS..Hα-helixtrans-77.9-12.5175.1-74.2-176.711.300112.9E169 F170 T175E169-Q173 HydrophobicContact CG-CG 4.38Å; E169-Q173 WeakPolarHBondContact O-CB 3.27Å; E169-Q173 WeakPolarHBondContact O-CG 3.49Å; E169-Q173 PolarHBondContact O-N 3.14Å; E169-Q173 PolarHBondContact OE1-NE2 2.85Å; F170-Q173 PolarHBondContact O-N 3.17Å; Q173-T175 PolarHBondContact O-N 2.98Å; Q173-T175 PolarHBondContact O-OG1 3.48Å
174Y60.1Low63Low27 Ų2758.1 Ų58.111%0.10632%0.319CS..  trans-67.361169.1-153.7-97000111.7Y135 F170 L171 Q172 R190 Y194 K231Y135-Y174 HydrophobicContact CE1-CE2 4.4Å; F170-Y174 PolarHBondContact O-N 3.48Å; F170-Y174 VanDerWaalsContact O-N 3.11Å; L171-Y174 WeakPolarHBondContact O-CB 3.3Å; Q172-Y174 VanDerWaalsContact C-N 3.26Å; Q172-Y174 PolarHBondContact O-N 3.44Å; Y174-R190 WeakPolarHBondContact OH-CA 3.35Å; Y174-R190 VanDerWaalsContact OH-CB 3.22Å; Y174-R190 WeakPolarHBondContact OH-CB 3.33Å; Y174-R190 PolarHBondContact OH-O 3.49Å; Y174-Y194 AromaticContact CD1-CD2 3.47Å; Y174-Y194 HydrophobicContact CD1-CD2 3.47Å; Y174-Y194 VanDerWaalsContact CD1-CD2 3.47Å; Y174-Y194 HydrophobicContact CD1-CE2 4.06Å; Y174-Y194 HydrophobicContact CD1-CG 4.1Å; Y174-Y194 HydrophobicContact CD2-CD2 4.1Å; Y174-Y194 AromaticContact CE1-CD2 3.91Å; Y174-Y194 HydrophobicContact CE1-CD2 3.91Å; Y174-Y194 HydrophobicContact CE1-CG 4.12Å; Y174-Y194 AromaticContact CG-CD2 3.56Å; Y174-Y194 HydrophobicContact CG-CD2 3.56Å; Y174-Y194 HydrophobicContact CG-CE2 4.07Å; Y174-K231 PolarHBondContact O-NZ 3.17Å
175T50.4Low62.7Low104 Ų10458.9 Ų58.964%0.63833%0.325SS*.  trans-77.9129.2174.344.40000107.6Q173 S177Q173-T175 PolarHBondContact O-N 2.98Å; Q173-T175 PolarHBondContact O-OG1 3.48Å; T175-S177 PolarHBondContact O-N 3.38Å
176F53.5Low62.4Low53 Ų5361.1 Ų61.123%0.23233%0.33CS..  trans-59.399.2154.7-70.7-88.8000104.3D178 M187 S235F176-D178 PolarHBondContact O-N 2.95Å; F176-D178 VanDerWaalsContact O-N 3.12Å; F176-M187 HydrophobicContact CD1-CG 4.31Å; F176-M187 HydrophobicContact CD1-SD 4.4Å; F176-M187 HydrophobicContact CE1-CG 3.72Å; F176-M187 HydrophobicContact CE1-SD 4.05Å; F176-S235 VanDerWaalsContact CZ-CB 3.42Å
177S48.6Very low62Low45 Ų4560.7 Ų60.732%0.31533%0.327SS..  trans-53.2123164.552.30000105.2T175 N179T175-S177 PolarHBondContact O-N 3.38Å; S177-N179 PolarHBondContact O-N 3.07Å
178D45.9Very low61.8Low158 Ų15860.6 Ų60.685%0.84533%0.326SS*.  trans-61.230.8175.1-69.6-42.8000112.9F176 S180F176-D178 PolarHBondContact O-N 2.95Å; F176-D178 VanDerWaalsContact O-N 3.12Å; D178-S180 PolarHBondContact O-N 2.66Å
179N49.7Very low61.7Low103 Ų10361.4 Ų61.455%0.55133%0.334SS*.  trans-63.3100.2169.5-73.6-5.7000106.8S177 N181 I182S177-N179 PolarHBondContact O-N 3.07Å; N179-N181 PolarHBondContact O-N 2.93Å; N179-I182 HydrophobicContact CB-CD1 4.28Å; N179-I182 HydrophobicContact CB-CG1 4.31Å; N179-I182 PolarHBondContact O-N 2.87Å
180S54.3Low61.4Low100 Ų10062 Ų6270%0.69933%0.334SS*.THydrogen-bonded Turntrans-60.35.8-175.2550000115.7D178D178-S180 PolarHBondContact O-N 2.66Å
181N58.9Low61.1Low146 Ų14661.9 Ų61.978%0.78133%0.333SS*.THydrogen-bonded Turntrans-126.419.9-172.8-70.9-4.7000114.1N179N179-N181 PolarHBondContact O-N 2.93Å
182I63.8Low61.2Low26 Ų2664.6 Ų64.613%0.13334%0.344CS..  trans-77.7127.9176-60.9168.8000109.1N179 E186 M187N179-I182 HydrophobicContact CB-CD1 4.28Å; N179-I182 HydrophobicContact CB-CG1 4.31Å; N179-I182 PolarHBondContact O-N 2.87Å; I182-E186 HydrophobicContact CG2-CB 3.82Å; I182-M187 HydrophobicContact CG2-CB 4.07Å
183T66.9Low61.1Low77 Ų7761.4 Ų61.447%0.47233%0.33SS..  trans-70148.5175.360.10000111.2C185 E186 M187T183-C185 PolarHBondContact O-N 3.1Å; T183-C185 VanDerWaalsContact O-N 3.16Å; T183-E186 PolarHBondContact N-OE2 3.25Å; T183-E186 PolarHBondContact O-N 3.35Å; T183-E186 VanDerWaalsContact O-N 3.09Å; T183-E186 VanDerWaalsContact OG1-CG 3.3Å; T183-E186 WeakPolarHBondContact OG1-CG 3.35Å; T183-E186 PolarHBondContact OG1-N 2.89Å; T183-E186 PolarHBondContact OG1-OE2 2.92Å; T183-M187 PolarHBondContact O-N 3.06Å
184L65.4Low61.1Low27 Ų2757.9 Ų57.914%0.14131%0.314CS..Hα-helixtrans-52.1-40.3177.917968.8000111.9M187 L188 L242 L250 E254L184-M187 HydrophobicContact CD1-CE 4.21Å; L184-M187 PolarHBondContact O-N 2.79Å; L184-L188 HydrophobicContact CD1-CD1 4.38Å; L184-L188 HydrophobicContact CD1-CG 4.36Å; L184-L188 HydrophobicContact CG-CD1 4.02Å; L184-L188 HydrophobicContact CG-CG 4.41Å; L184-L188 WeakPolarHBondContact O-CB 3.48Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.32Å; L184-L242 HydrophobicContact CD1-CB 4.28Å; L184-L242 HydrophobicContact CD1-CD1 3.95Å; L184-L250 HydrophobicContact CD2-CD2 3.42Å; L184-L250 VanDerWaalsContact CD2-CD2 3.42Å; L184-E254 HydrophobicContact CD2-CG 4.25Å; L184-E254 HydrophobicContact CG-CG 4.37Å
185C64.5Low61.4Low20 Ų2056.6 Ų56.614%0.13531%0.309CS..Hα-helixtrans-62.9-44178-164.10000113.9T183 M187 S189 E254T183-C185 PolarHBondContact O-N 3.1Å; T183-C185 VanDerWaalsContact O-N 3.16Å; C185-M187 VanDerWaalsContact C-N 3.3Å; C185-S189 WeakPolarHBondContact O-CB 3.4Å; C185-S189 PolarHBondContact O-N 3.36Å; C185-S189 PolarHBondContact O-OG 3.38Å; C185-E254 HydrophobicContact CB-CG 3.92Å
186E66.5Low62.4Low99 Ų9952.3 Ų52.346%0.46328%0.282SS..Hα-helixtrans-64.2-39.7174.8-76.3174.4156.700111I182 T183 S189 R190I182-E186 HydrophobicContact CG2-CB 3.82Å; T183-E186 PolarHBondContact N-OE2 3.25Å; T183-E186 PolarHBondContact O-N 3.35Å; T183-E186 VanDerWaalsContact O-N 3.09Å; T183-E186 VanDerWaalsContact OG1-CG 3.3Å; T183-E186 WeakPolarHBondContact OG1-CG 3.35Å; T183-E186 PolarHBondContact OG1-N 2.89Å; T183-E186 PolarHBondContact OG1-OE2 2.92Å; E186-S189 PolarHBondContact O-N 2.93Å; E186-R190 WeakPolarHBondContact O-CB 2.81Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 3.42Å
187M65.4Low63.1Low4 Ų449.9 Ų49.92%0.0227%0.271CS..Hα-helixtrans-65.9-44.8179-160.9-179.47200112.3F176 I182 T183 L184 C185 S189 R190 W191 Y238 I239 L242F176-M187 HydrophobicContact CD1-CG 4.31Å; F176-M187 HydrophobicContact CD1-SD 4.4Å; F176-M187 HydrophobicContact CE1-CG 3.72Å; F176-M187 HydrophobicContact CE1-SD 4.05Å; I182-M187 HydrophobicContact CG2-CB 4.07Å; T183-M187 PolarHBondContact O-N 3.06Å; L184-M187 HydrophobicContact CD1-CE 4.21Å; L184-M187 PolarHBondContact O-N 2.79Å; C185-M187 VanDerWaalsContact C-N 3.3Å; M187-S189 VanDerWaalsContact C-N 3.32Å; M187-S189 PolarHBondContact O-N 3.23Å; M187-R190 PolarHBondContact O-N 2.86Å; M187-W191 WeakPolarHBondContact O-CB 3.16Å; M187-W191 PolarHBondContact O-N 2.73Å; M187-Y238 HydrophobicContact CE-CD1 3.82Å; M187-Y238 HydrophobicContact CE-CE1 4.36Å; M187-Y238 HydrophobicContact SD-CD1 3.23Å; M187-Y238 WeakPolarHBondContact SD-CD1 3.41Å; M187-Y238 HydrophobicContact SD-CE1 3.44Å; M187-Y238 WeakPolarHBondContact SD-CE1 3.11Å; M187-Y238 HydrophobicContact SD-CG 4.4Å; M187-I239 HydrophobicContact CE-CB 4.19Å; M187-I239 HydrophobicContact CE-CD1 4.34Å; M187-I239 HydrophobicContact CE-CG1 3.23Å; M187-L242 HydrophobicContact CE-CD1 3.47Å; M187-L242 VanDerWaalsContact CE-CD1 3.47Å; M187-L242 HydrophobicContact SD-CD1 3.88Å
188L66.6Low64Low1 Ų147.9 Ų47.91%0.00526%0.257CS..Hα-helixtrans-62.7-39.3174.7-72.4169.9000111.7L184 W191 K192 E254 N257 I258 I261L184-L188 HydrophobicContact CD1-CD1 4.38Å; L184-L188 HydrophobicContact CD1-CG 4.36Å; L184-L188 HydrophobicContact CG-CD1 4.02Å; L184-L188 HydrophobicContact CG-CG 4.41Å; L184-L188 WeakPolarHBondContact O-CB 3.48Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.32Å; L188-W191 HydrophobicContact CD2-CE3 4.32Å; L188-W191 PolarHBondContact O-N 3.34Å; L188-K192 WeakPolarHBondContact O-CB 3.44Å; L188-K192 PolarHBondContact O-N 3.17Å; L188-E254 HydrophobicContact CD1-CB 3.85Å; L188-E254 HydrophobicContact CD1-CG 4.05Å; L188-N257 HydrophobicContact CB-CB 3.9Å; L188-N257 HydrophobicContact CD1-CB 4.38Å; L188-I258 HydrophobicContact CD1-CD1 4.1Å; L188-I258 HydrophobicContact CD1-CG1 3.83Å; L188-I258 HydrophobicContact CD2-CG1 3.8Å; L188-I258 HydrophobicContact CG-CG1 4.48Å; L188-I261 HydrophobicContact CB-CD1 4.24Å; L188-I261 HydrophobicContact CD2-CD1 3.93Å; L188-I261 VanDerWaalsContact O-CD1 3.3Å; L188-I261 WeakPolarHBondContact O-CD1 3.32Å
189S67.2Low65.1Low38 Ų3842.1 Ų42.127%0.26622%0.224SC..Hα-helixtrans-63.5-47.1177.3-56.20000111.1C185 E186 M187 W191 K192 D193 N257C185-S189 WeakPolarHBondContact O-CB 3.4Å; C185-S189 PolarHBondContact O-N 3.36Å; C185-S189 PolarHBondContact O-OG 3.38Å; E186-S189 PolarHBondContact O-N 2.93Å; M187-S189 VanDerWaalsContact C-N 3.32Å; M187-S189 PolarHBondContact O-N 3.23Å; S189-W191 VanDerWaalsContact C-N 3.31Å; S189-W191 PolarHBondContact O-N 2.9Å; S189-K192 WeakPolarHBondContact O-CB 3.36Å; S189-K192 PolarHBondContact O-N 3.21Å; S189-D193 PolarHBondContact O-N 3.34Å; S189-D193 VanDerWaalsContact O-N 3.1Å; S189-N257 PolarHBondContact OG-ND2 3.38Å; S189-N257 VanDerWaalsContact OG-ND2 3.12Å
190R66.9Low66.1Low84 Ų8437.7 Ų37.732%0.31720%0.201SC..Hα-helixtrans-57.8-42.6172.5-79.6-177.1-174.2-176.55.5111.9Y135 Y174 E186 M187 D193 Y194Y135-R190 HydrophobicContact CE1-CG 4.27Å; Y174-R190 WeakPolarHBondContact OH-CA 3.35Å; Y174-R190 VanDerWaalsContact OH-CB 3.22Å; Y174-R190 WeakPolarHBondContact OH-CB 3.33Å; Y174-R190 PolarHBondContact OH-O 3.49Å; E186-R190 WeakPolarHBondContact O-CB 2.81Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 3.42Å; M187-R190 PolarHBondContact O-N 2.86Å; R190-D193 PolarHBondContact O-N 3.05Å; R190-Y194 PolarHBondContact O-N 3.47Å; R190-Y194 VanDerWaalsContact O-N 3.11Å
191W66.9Low66.8Low13 Ų1333.1 Ų33.15%0.04917%0.169CC..Hα-helixtrans-67.8-38179.9-167.340.9000112.5M187 L188 S189 D193 Y194 A195 S235 Q236 I239 I261 W265 L391M187-W191 WeakPolarHBondContact O-CB 3.16Å; M187-W191 PolarHBondContact O-N 2.73Å; L188-W191 HydrophobicContact CD2-CE3 4.32Å; L188-W191 PolarHBondContact O-N 3.34Å; S189-W191 VanDerWaalsContact C-N 3.31Å; S189-W191 PolarHBondContact O-N 2.9Å; W191-D193 VanDerWaalsContact C-N 3.33Å; W191-D193 PolarHBondContact O-N 2.83Å; W191-Y194 PolarHBondContact O-N 2.89Å; W191-A195 PolarHBondContact O-N 3.23Å; W191-S235 PolarHBondContact NE1-OG 3Å; W191-Q236 HydrophobicContact CZ2-CG 4.4Å; W191-I239 HydrophobicContact CD2-CD1 4.01Å; W191-I239 HydrophobicContact CE3-CD1 3.4Å; W191-I239 VanDerWaalsContact CE3-CD1 3.4Å; W191-I239 HydrophobicContact CH2-CD1 4.09Å; W191-I239 HydrophobicContact CZ3-CD1 3.46Å; W191-I239 VanDerWaalsContact CZ3-CD1 3.46Å; W191-I261 HydrophobicContact CB-CD1 4.42Å; W191-I261 HydrophobicContact CD2-CD1 4.36Å; W191-I261 HydrophobicContact CD2-CG2 4.08Å; W191-I261 HydrophobicContact CE3-CB 4.49Å; W191-I261 HydrophobicContact CE3-CD1 3.64Å; W191-I261 HydrophobicContact CE3-CG1 4.41Å; W191-I261 HydrophobicContact CE3-CG2 3.61Å; W191-I261 HydrophobicContact CH2-CG2 3.85Å; W191-I261 HydrophobicContact CZ2-CG2 4.33Å; W191-I261 HydrophobicContact CZ3-CB 4.49Å; W191-I261 HydrophobicContact CZ3-CD1 4.3Å; W191-I261 HydrophobicContact CZ3-CG2 3.47Å; W191-I261 VanDerWaalsContact CZ3-CG2 3.47Å; W191-W265 AromaticContact CE2-NE1 3.98Å; W191-W265 AromaticContact CH2-NE1 3.94Å; W191-W265 HydrophobicContact CZ2-CZ2 4.49Å; W191-W265 AromaticContact CZ2-NE1 3.45Å; W191-L391 HydrophobicContact CH2-CD2 4.28Å
192K67.7Low67.1Low59 Ų5926.4 Ų26.426%0.25713%0.133SC..Hα-helixtrans-57.2-44.4171.6-179.2-174.3174.8-179.50112L188 S189 A195 N196 E260 I261 I264L188-K192 WeakPolarHBondContact O-CB 3.44Å; L188-K192 PolarHBondContact O-N 3.17Å; S189-K192 WeakPolarHBondContact O-CB 3.36Å; S189-K192 PolarHBondContact O-N 3.21Å; K192-A195 PolarHBondContact O-N 3.46Å; K192-N196 PolarHBondContact O-N 3.16Å; K192-N196 PolarHBondContact O-ND2 3.26Å; K192-N196 VanDerWaalsContact O-ND2 3.09Å; K192-E260 HydrophobicContact CD-CB 4.42Å; K192-I261 HydrophobicContact CB-CD1 4.13Å; K192-I261 HydrophobicContact CB-CG1 3.71Å; K192-I261 HydrophobicContact CG-CG1 4.28Å; K192-I264 HydrophobicContact CG-CD1 3.84Å
193D66.3Low67.2Low25 Ų2527.8 Ų27.813%0.13414%0.141CC..Hα-helixtrans-67.3-41.2179.8-64.8-31.8000112Y135 S189 R190 W191 N196 V197Y135-D193 HydrophobicContact CD1-CB 4.24Å; S189-D193 PolarHBondContact O-N 3.34Å; S189-D193 VanDerWaalsContact O-N 3.1Å; R190-D193 PolarHBondContact O-N 3.05Å; W191-D193 VanDerWaalsContact C-N 3.33Å; W191-D193 PolarHBondContact O-N 2.83Å; D193-N196 PolarHBondContact O-N 3.35Å; D193-V197 WeakPolarHBondContact O-CG2 3.32Å; D193-V197 PolarHBondContact O-N 3.47Å
194Y68.4Low67.2Low7 Ų724.6 Ų24.63%0.02712%0.121CC..Hα-helixtrans-58.1-50173.7178.1-91.7000111.9L171 Y174 R190 W191 N196 V197 L198 V232L171-Y194 HydrophobicContact CB-CE2 4.35Å; L171-Y194 HydrophobicContact CD2-CD2 4.03Å; L171-Y194 HydrophobicContact CD2-CE2 3.35Å; L171-Y194 HydrophobicContact CG-CE2 4.44Å; Y174-Y194 AromaticContact CD1-CD2 3.47Å; Y174-Y194 HydrophobicContact CD1-CD2 3.47Å; Y174-Y194 VanDerWaalsContact CD1-CD2 3.47Å; Y174-Y194 HydrophobicContact CD1-CE2 4.06Å; Y174-Y194 HydrophobicContact CD1-CG 4.1Å; Y174-Y194 HydrophobicContact CD2-CD2 4.1Å; Y174-Y194 AromaticContact CE1-CD2 3.91Å; Y174-Y194 HydrophobicContact CE1-CD2 3.91Å; Y174-Y194 HydrophobicContact CE1-CG 4.12Å; Y174-Y194 AromaticContact CG-CD2 3.56Å; Y174-Y194 HydrophobicContact CG-CD2 3.56Å; Y174-Y194 HydrophobicContact CG-CE2 4.07Å; R190-Y194 PolarHBondContact O-N 3.47Å; R190-Y194 VanDerWaalsContact O-N 3.11Å; W191-Y194 PolarHBondContact O-N 2.89Å; Y194-N196 VanDerWaalsContact C-N 3.31Å; Y194-N196 PolarHBondContact O-N 2.98Å; Y194-V197 PolarHBondContact O-N 3.02Å; Y194-L198 PolarHBondContact O-N 3.22Å; Y194-V232 HydrophobicContact CE1-CG2 4.45Å
195A66.5Low67Low0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-61.3-39177.800000112W191 K192 L198 F199 I264 I268W191-A195 PolarHBondContact O-N 3.23Å; K192-A195 PolarHBondContact O-N 3.46Å; A195-L198 PolarHBondContact O-N 3.49Å; A195-F199 PolarHBondContact O-N 2.68Å; A195-I264 HydrophobicContact CB-CB 4.41Å; A195-I264 HydrophobicContact CB-CG2 3.76Å; A195-I268 HydrophobicContact CB-CD1 4.4Å
196N69.7Low66.8Low14 Ų1427.8 Ų27.88%0.07513%0.13CC..Hα-helixtrans-65.9-40.7176.2-83.4-51.5000113.2I137 K192 D193 Y194 L198 F199 C200 I264I137-N196 HydrophobicContact CD1-CB 3.53Å; I137-N196 HydrophobicContact CG1-CB 3.68Å; K192-N196 PolarHBondContact O-N 3.16Å; K192-N196 PolarHBondContact O-ND2 3.26Å; K192-N196 VanDerWaalsContact O-ND2 3.09Å; D193-N196 PolarHBondContact O-N 3.35Å; Y194-N196 VanDerWaalsContact C-N 3.31Å; Y194-N196 PolarHBondContact O-N 2.98Å; N196-L198 VanDerWaalsContact C-N 3.34Å; N196-F199 PolarHBondContact O-N 2.99Å; N196-C200 PolarHBondContact O-N 3.37Å; N196-C200 PolarHBondContact O-SG 3.38Å; N196-I264 WeakPolarHBondContact ND2-CD1 3.35Å; N196-I264 VanDerWaalsContact OD1-CD1 3.3Å; N196-I264 WeakPolarHBondContact OD1-CD1 3.21Å
197V69.2Low66.5Low2 Ų226 Ų261%0.01213%0.128CC..Hα-helixtrans-63.9-43.7176.1174.40000110.1L128 Q131 I137 F140 F170 D193 Y194 F199 C200 V201L128-V197 HydrophobicContact CD2-CG1 4.37Å; Q131-V197 HydrophobicContact CG-CG2 3.81Å; I137-V197 HydrophobicContact CD1-CG2 4.22Å; F140-V197 HydrophobicContact CD1-CG2 4.47Å; F140-V197 HydrophobicContact CE1-CG1 4.21Å; F140-V197 HydrophobicContact CE1-CG2 4.31Å; F140-V197 HydrophobicContact CZ-CG1 4.14Å; F170-V197 HydrophobicContact CD1-CG1 4.41Å; F170-V197 HydrophobicContact CE1-CB 4.45Å; F170-V197 HydrophobicContact CE1-CG1 3.79Å; D193-V197 WeakPolarHBondContact O-CG2 3.32Å; D193-V197 PolarHBondContact O-N 3.47Å; Y194-V197 PolarHBondContact O-N 3.02Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 3.4Å; V197-C200 PolarHBondContact O-N 2.79Å; V197-V201 WeakPolarHBondContact O-CG2 3.44Å; V197-V201 PolarHBondContact O-N 3.19Å
198L68.4Low66.1Low3 Ų326.7 Ų26.72%0.01613%0.133CC..Hα-helixtrans-58.8-44.9175.3-177.763.2000111.9L171 Y194 A195 N196 C200 V201 L202 L224 T228 W265 I268L171-L198 HydrophobicContact CD1-CD1 4.27Å; Y194-L198 PolarHBondContact O-N 3.22Å; A195-L198 PolarHBondContact O-N 3.49Å; N196-L198 VanDerWaalsContact C-N 3.34Å; L198-C200 PolarHBondContact O-N 3.47Å; L198-V201 PolarHBondContact O-N 2.72Å; L198-L202 HydrophobicContact CD1-CD1 4.48Å; L198-L202 HydrophobicContact CG-CD1 4.21Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.14Å; L198-L224 HydrophobicContact CD1-CD2 3.7Å; L198-T228 HydrophobicContact CD1-CG2 3.95Å; L198-T228 HydrophobicContact CD2-CG2 4.03Å; L198-W265 HydrophobicContact CD2-CH2 4.37Å; L198-I268 HydrophobicContact CD2-CD1 4.2Å; L198-I268 HydrophobicContact CG-CD1 4.43Å
199F68.5Low65.3Low36 Ų3631.7 Ų31.716%0.15817%0.168CC..Hα-helixtrans-58.7-44.7175.4177.4-99.2000112.1A195 N196 V197 V201 L202 D203 I264 N267 I268 Q271A195-F199 PolarHBondContact O-N 2.68Å; N196-F199 PolarHBondContact O-N 2.99Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 3.4Å; F199-V201 VanDerWaalsContact C-N 3.34Å; F199-V201 PolarHBondContact O-N 3.5Å; F199-L202 PolarHBondContact O-N 3.05Å; F199-D203 WeakPolarHBondContact O-CB 3.31Å; F199-D203 PolarHBondContact O-N 3.28Å; F199-I264 HydrophobicContact CB-CG2 4.29Å; F199-N267 HydrophobicContact CD2-CB 4Å; F199-N267 HydrophobicContact CE2-CB 3.68Å; F199-N267 HydrophobicContact CZ-CB 4.43Å; F199-I268 HydrophobicContact CB-CD1 4.33Å; F199-I268 HydrophobicContact CB-CG1 3.83Å; F199-I268 HydrophobicContact CD2-CG1 4.01Å; F199-I268 HydrophobicContact CG-CG1 4.43Å; F199-Q271 HydrophobicContact CD2-CG 4.45Å; F199-Q271 HydrophobicContact CE2-CG 3.69Å; F199-Q271 HydrophobicContact CZ-CG 4.4Å
200C70.2Confident64.4Low10 Ų1031.2 Ų31.27%0.06817%0.165CC..Hα-helixtrans-62.3-41.6178.6-61.70000111.7F140 K141 N196 V197 L198 L202 D203 D204F140-C200 HydrophobicContact CE1-CB 4.09Å; K141-C200 VanDerWaalsContact CG-SG 3.6Å; N196-C200 PolarHBondContact O-N 3.37Å; N196-C200 PolarHBondContact O-SG 3.38Å; V197-C200 PolarHBondContact O-N 2.79Å; L198-C200 PolarHBondContact O-N 3.47Å; C200-L202 VanDerWaalsContact C-N 3.32Å; C200-L202 PolarHBondContact O-N 3.3Å; C200-D203 PolarHBondContact O-N 3.5Å; C200-D204 PolarHBondContact O-N 2.95Å
201V67.9Low63.6Low4 Ų431.2 Ų31.22%0.02417%0.167CC..Hα-helixtrans-62.5-40.8176.8173.40000111.1V197 L198 F199 F205V197-V201 WeakPolarHBondContact O-CG2 3.44Å; V197-V201 PolarHBondContact O-N 3.19Å; L198-V201 PolarHBondContact O-N 2.72Å; F199-V201 VanDerWaalsContact C-N 3.34Å; F199-V201 PolarHBondContact O-N 3.5Å; V201-F205 HydrophobicContact CG1-CD2 4Å; V201-F205 HydrophobicContact CG1-CE2 3.62Å; V201-F205 WeakPolarHBondContact O-CD2 3.16Å; V201-F205 PolarHBondContact O-N 2.88Å
202L65.9Low63Low5 Ų536.7 Ų36.73%0.02620%0.198CC..Hα-helixtrans-69-36.7176.2-69.7172.4000113.9L198 F199 C200 F205 Y206 I268 L272 I275L198-L202 HydrophobicContact CD1-CD1 4.48Å; L198-L202 HydrophobicContact CG-CD1 4.21Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.14Å; F199-L202 PolarHBondContact O-N 3.05Å; C200-L202 VanDerWaalsContact C-N 3.32Å; C200-L202 PolarHBondContact O-N 3.3Å; L202-F205 HydrophobicContact CD2-CD2 4.24Å; L202-F205 WeakPolarHBondContact O-CB 3.38Å; L202-F205 PolarHBondContact O-N 3.43Å; L202-Y206 PolarHBondContact O-N 2.9Å; L202-I268 HydrophobicContact CD1-CB 4.45Å; L202-I268 HydrophobicContact CD1-CG1 4.45Å; L202-I268 HydrophobicContact CD1-CG2 3.67Å; L202-L272 HydrophobicContact CD1-CD1 4.4Å; L202-L272 HydrophobicContact CD1-CD2 4.2Å; L202-L272 HydrophobicContact CD1-CG 4.08Å; L202-L272 HydrophobicContact CD2-CD2 3.76Å; L202-L272 HydrophobicContact CD2-CG 4.49Å; L202-I275 HydrophobicContact CD2-CD1 4.41Å
203D67.2Low62.5Low55 Ų5534.5 Ų34.529%0.29419%0.189SC..Hα-helixtrans-66-42.4175.8-152.842.4000110.6F199 C200 F205 Y206 S207 Q271F199-D203 WeakPolarHBondContact O-CB 3.31Å; F199-D203 PolarHBondContact O-N 3.28Å; C200-D203 PolarHBondContact O-N 3.5Å; D203-F205 VanDerWaalsContact C-N 3.34Å; D203-F205 PolarHBondContact O-N 2.98Å; D203-Y206 PolarHBondContact O-N 3.31Å; D203-Y206 VanDerWaalsContact O-N 3.12Å; D203-S207 PolarHBondContact O-N 3.42Å; D203-S207 VanDerWaalsContact O-N 3.08Å; D203-Q271 PolarHBondContact OD1-NE2 2.82Å
204D65.1Low62.1Low11 Ų1135 Ų356%0.05919%0.193CC..Hα-helixtrans-59-44.8174.8-62-18.6000110.9R144 A148 F152 C200 Y206 S207 S208R144-D204 IonicContact CZ-OD2 3.97Å; R144-D204 IonicContact NE-OD2 3.28Å; R144-D204 PolarHBondContact NE-OD2 3.33Å; R144-D204 IonicContact NH2-OD2 3.7Å; A148-D204 HydrophobicContact CB-CB 4.26Å; A148-D204 VanDerWaalsContact CB-OD1 3.24Å; A148-D204 WeakPolarHBondContact CB-OD1 3.2Å; F152-D204 HydrophobicContact CD2-CB 4.31Å; F152-D204 HydrophobicContact CE2-CB 3.64Å; F152-D204 HydrophobicContact CZ-CB 4.43Å; C200-D204 PolarHBondContact O-N 2.95Å; D204-Y206 VanDerWaalsContact C-N 3.26Å; D204-Y206 PolarHBondContact O-N 3.1Å; D204-S207 PolarHBondContact O-N 3.03Å; D204-S207 PolarHBondContact O-OG 3.42Å; D204-S208 PolarHBondContact O-N 3.08Å
205F62.5Low61.7Low16 Ų1640.9 Ų40.97%0.0722%0.224CC..Hα-helixtrans-58.3-34.2175.7-81.7-62.8000113.7F152 L164 V201 L202 D203 S208 L217 I275F152-F205 AromaticContact CE1-CD1 3.76Å; F152-F205 HydrophobicContact CE1-CD1 3.76Å; F152-F205 AromaticContact CE1-CE1 3.92Å; F152-F205 HydrophobicContact CE1-CE1 3.92Å; F152-F205 HydrophobicContact CZ-CD1 4.02Å; F152-F205 HydrophobicContact CZ-CE1 4.24Å; F152-F205 HydrophobicContact CZ-CG 4.48Å; L164-F205 HydrophobicContact CD1-CE1 3.71Å; L164-F205 HydrophobicContact CD1-CZ 3.85Å; L164-F205 HydrophobicContact CD2-CE1 3.46Å; L164-F205 VanDerWaalsContact CD2-CE1 3.46Å; L164-F205 HydrophobicContact CD2-CE2 4.08Å; L164-F205 HydrophobicContact CD2-CZ 3.14Å; L164-F205 HydrophobicContact CG-CE1 4.2Å; L164-F205 HydrophobicContact CG-CZ 4.09Å; V201-F205 HydrophobicContact CG1-CD2 4Å; V201-F205 HydrophobicContact CG1-CE2 3.62Å; V201-F205 WeakPolarHBondContact O-CD2 3.16Å; V201-F205 PolarHBondContact O-N 2.88Å; L202-F205 HydrophobicContact CD2-CD2 4.24Å; L202-F205 WeakPolarHBondContact O-CB 3.38Å; L202-F205 PolarHBondContact O-N 3.43Å; D203-F205 VanDerWaalsContact C-N 3.34Å; D203-F205 PolarHBondContact O-N 2.98Å; F205-S208 PolarHBondContact O-OG 3.41Å; F205-L217 HydrophobicContact CD1-CD2 3.45Å; F205-L217 VanDerWaalsContact CD1-CD2 3.45Å; F205-L217 HydrophobicContact CE1-CD2 3.44Å; F205-L217 VanDerWaalsContact CE1-CD2 3.44Å; F205-I275 HydrophobicContact CB-CD1 4.45Å
206Y59.5Low61.5Low98 Ų9841.2 Ų41.238%0.38423%0.226SC..Hα-helixtrans-75.9-35.4178.3-178.2-98.6000111.9L202 D203 D204 S208 R274 I275 N278L202-Y206 PolarHBondContact O-N 2.9Å; D203-Y206 PolarHBondContact O-N 3.31Å; D203-Y206 VanDerWaalsContact O-N 3.12Å; D204-Y206 VanDerWaalsContact C-N 3.26Å; D204-Y206 PolarHBondContact O-N 3.1Å; Y206-S208 VanDerWaalsContact C-N 3.31Å; Y206-S208 PolarHBondContact O-N 3.24Å; Y206-R274 HydrophobicContact CD2-CB 4.25Å; Y206-R274 HydrophobicContact CE2-CB 3.87Å; Y206-I275 HydrophobicContact CD2-CG1 4.28Å; Y206-N278 WeakPolarHBondContact CE2-ND2 3.48Å
207S60Low61.1Low62 Ų6241.8 Ų41.843%0.43423%0.23SC..Hα-helixtrans-70.4-23.9-178.968.50000113.9D203 D204 S209D203-S207 PolarHBondContact O-N 3.42Å; D203-S207 VanDerWaalsContact O-N 3.08Å; D204-S207 PolarHBondContact O-N 3.03Å; D204-S207 PolarHBondContact O-OG 3.42Å; S207-S209 PolarHBondContact O-N 3.2Å
208S57.8Low60.7Low18 Ų1842.8 Ų42.813%0.12624%0.236CC..  trans-73.3109-179.363.50000112.3D204 F205 Y206 S210D204-S208 PolarHBondContact O-N 3.08Å; F205-S208 PolarHBondContact O-OG 3.41Å; Y206-S208 VanDerWaalsContact C-N 3.31Å; Y206-S208 PolarHBondContact O-N 3.24Å; S208-S210 PolarHBondContact O-N 3.11Å
209S48.6Very low60.6Low105 Ų10547 Ų4773%0.73426%0.257SS*.  trans-79.8-5.7-175.4560000115.5S207 F211S207-S209 PolarHBondContact O-N 3.2Å; S209-F211 WeakPolarHBondContact O-CD2 3.37Å
210S50Low60.4Low29 Ų2946.1 Ų46.120%0.20325%0.253CS..  trans-96.596.6-174.956.90000112.2F152 S208 D212F152-S210 PolarHBondContact O-OG 3.3Å; S208-S210 PolarHBondContact O-N 3.11Å; S210-D212 VanDerWaalsContact C-N 3.35Å; S210-D212 PolarHBondContact O-N 3.5Å
211F48.9Very low60.1Low83 Ų8347 Ų4736%0.36426%0.257SS..G310 helixtrans-83.58.9-171.2-72.6-88.4000115.7S209 L213 V214S209-F211 WeakPolarHBondContact O-CD2 3.37Å; F211-L213 PolarHBondContact O-N 3.5Å; F211-V214 HydrophobicContact CD1-CG2 4.47Å; F211-V214 VanDerWaalsContact O-CG2 3.3Å; F211-V214 WeakPolarHBondContact O-CG2 3.47Å
212D54.8Low59.8Low129 Ų12950 Ų5069%0.6927%0.268SS*.G310 helixtrans-67.9-6.8180-69.9-24.4000113.6N155 S210N155-D212 PolarHBondContact ND2-OD2 2.94Å; S210-D212 VanDerWaalsContact C-N 3.35Å; S210-D212 PolarHBondContact O-N 3.5Å
213L57.7Low59.8Low13 Ų1353.8 Ų53.87%0.06828%0.284CS..G310 helixtrans-10815.4-174.4-72.5165.2000114.6E157 V160 F211 N215 T216 L217E157-L213 VanDerWaalsContact CA-CD2 3.41Å; E157-L213 HydrophobicContact CB-CD2 3.65Å; E157-L213 HydrophobicContact CG-CD2 3.97Å; V160-L213 HydrophobicContact CB-CD1 4.31Å; V160-L213 HydrophobicContact CG2-CD1 3.81Å; F211-L213 PolarHBondContact O-N 3.5Å; L213-N215 VanDerWaalsContact C-N 3.25Å; L213-N215 PolarHBondContact O-N 3.14Å; L213-N215 VanDerWaalsContact O-N 3.11Å; L213-T216 WeakPolarHBondContact O-CB 3.16Å; L213-T216 PolarHBondContact O-N 3.44Å; L213-L217 HydrophobicContact CB-CD1 4.08Å; L213-L217 WeakPolarHBondContact O-CB 3.35Å; L213-L217 PolarHBondContact O-N 2.97Å
214V56.9Low59.6Low36 Ų3651.3 Ų51.322%0.21827%0.271CS..Hα-helixtrans-49.8-42.2-174.2167.30000112.9F211 L217 V218 L279F211-V214 HydrophobicContact CD1-CG2 4.47Å; F211-V214 VanDerWaalsContact O-CG2 3.3Å; F211-V214 WeakPolarHBondContact O-CG2 3.47Å; V214-L217 WeakPolarHBondContact O-CB 3.44Å; V214-L217 PolarHBondContact O-N 3.42Å; V214-V218 HydrophobicContact CG1-CG2 4.29Å; V214-V218 WeakPolarHBondContact O-CB 3.29Å; V214-V218 WeakPolarHBondContact O-CG2 3.2Å; V214-V218 PolarHBondContact O-N 2.86Å; V214-L279 HydrophobicContact CG1-CD2 3.88Å; V214-L279 HydrophobicContact CG2-CD2 4.21Å
215N59.9Low59.4Low129 Ų12951.7 Ų51.769%0.6927%0.274SS*.Hα-helixtrans-64.7-45.1179.3-78.4-19.6000112.9L213 L217 V218 I219L213-N215 VanDerWaalsContact C-N 3.25Å; L213-N215 PolarHBondContact O-N 3.14Å; L213-N215 VanDerWaalsContact O-N 3.11Å; N215-L217 VanDerWaalsContact C-N 3.34Å; N215-V218 PolarHBondContact O-N 3.2Å; N215-I219 VanDerWaalsContact O-CG1 3.31Å; N215-I219 WeakPolarHBondContact O-CG1 3.23Å; N215-I219 PolarHBondContact O-N 3.4Å
216T62.8Low59.4Low7 Ų757 Ų574%0.04330%0.297CS..Hα-helixtrans-63.7-44.4177.2-32.70000110.2E157 L213 V218 I219 Y220E157-T216 HydrophobicContact CG-CG2 3.52Å; E157-T216 WeakPolarHBondContact CG-OG1 3.42Å; E157-T216 PolarHBondContact OE1-OG1 2.96Å; L213-T216 WeakPolarHBondContact O-CB 3.16Å; L213-T216 PolarHBondContact O-N 3.44Å; T216-V218 PolarHBondContact O-N 2.83Å; T216-I219 PolarHBondContact O-N 3.17Å; T216-Y220 HydrophobicContact CG2-CD2 4.04Å; T216-Y220 HydrophobicContact CG2-CE2 4.06Å; T216-Y220 WeakPolarHBondContact O-CD2 3.42Å; T216-Y220 PolarHBondContact O-N 3.21Å
217L61.4Low59.5Low27 Ų2752.9 Ų52.914%0.14128%0.282CS..Hα-helixtrans-56.9-47.4174.7-82.4156.3000111F205 L213 V214 N215 I219 Y220 L221F205-L217 HydrophobicContact CD1-CD2 3.45Å; F205-L217 VanDerWaalsContact CD1-CD2 3.45Å; F205-L217 HydrophobicContact CE1-CD2 3.44Å; F205-L217 VanDerWaalsContact CE1-CD2 3.44Å; L213-L217 HydrophobicContact CB-CD1 4.08Å; L213-L217 WeakPolarHBondContact O-CB 3.35Å; L213-L217 PolarHBondContact O-N 2.97Å; V214-L217 WeakPolarHBondContact O-CB 3.44Å; V214-L217 PolarHBondContact O-N 3.42Å; N215-L217 VanDerWaalsContact C-N 3.34Å; L217-I219 PolarHBondContact O-N 2.99Å; L217-Y220 PolarHBondContact O-N 3.42Å; L217-L221 VanDerWaalsContact O-CB 3.29Å; L217-L221 WeakPolarHBondContact O-CB 3.46Å; L217-L221 VanDerWaalsContact O-CG 3.26Å; L217-L221 WeakPolarHBondContact O-CG 3.37Å; L217-L221 PolarHBondContact O-N 2.96Å
218V61.4Low59.6Low23 Ų2349.9 Ų49.914%0.13926%0.262CS..Hα-helixtrans-63.1-42177.91700000111.6V214 N215 T216 R222V214-V218 HydrophobicContact CG1-CG2 4.29Å; V214-V218 WeakPolarHBondContact O-CB 3.29Å; V214-V218 WeakPolarHBondContact O-CG2 3.2Å; V214-V218 PolarHBondContact O-N 2.86Å; N215-V218 PolarHBondContact O-N 3.2Å; T216-V218 PolarHBondContact O-N 2.83Å; V218-R222 WeakPolarHBondContact O-CB 3.36Å; V218-R222 WeakPolarHBondContact O-CG 3.39Å; V218-R222 PolarHBondContact O-N 3.42Å
219I65.7Low59.6Low91 Ų9153.1 Ų53.147%0.46728%0.275SS..Hα-helixtrans-61.2-46.3177.2-68.9164.5000110.9N215 T216 L217 R222 K223N215-I219 VanDerWaalsContact O-CG1 3.31Å; N215-I219 WeakPolarHBondContact O-CG1 3.23Å; N215-I219 PolarHBondContact O-N 3.4Å; T216-I219 PolarHBondContact O-N 3.17Å; L217-I219 PolarHBondContact O-N 2.99Å; I219-R222 WeakPolarHBondContact O-CB 3.49Å; I219-R222 PolarHBondContact O-N 3.17Å; I219-K223 PolarHBondContact O-N 3.37Å; I219-K223 VanDerWaalsContact O-N 3.07Å
220Y63.4Low60.2Low18 Ų1851.1 Ų51.17%0.07126%0.261CS..Hα-helixtrans-72.8-39.6-179.9-83.8-75.2000112.7S161 L164 T216 L217 R222 K223 L224S161-Y220 VanDerWaalsContact CA-CE2 3.46Å; S161-Y220 VanDerWaalsContact O-CZ 3.24Å; S161-Y220 PolarHBondContact O-OH 3.13Å; S161-Y220 VanDerWaalsContact O-OH 3.07Å; S161-Y220 WeakPolarHBondContact OG-CE2 3.47Å; S161-Y220 VanDerWaalsContact OG-CZ 3.32Å; S161-Y220 PolarHBondContact OG-OH 3.43Å; L164-Y220 HydrophobicContact CB-CD1 3.48Å; L164-Y220 VanDerWaalsContact CB-CD1 3.48Å; L164-Y220 HydrophobicContact CB-CD2 4.13Å; L164-Y220 HydrophobicContact CB-CE1 3.94Å; L164-Y220 HydrophobicContact CB-CG 3.6Å; L164-Y220 VanDerWaalsContact CD1-CB 3.49Å; L164-Y220 HydrophobicContact CD1-CD1 4.41Å; L164-Y220 HydrophobicContact CD1-CD2 3.83Å; L164-Y220 HydrophobicContact CD1-CG 3.64Å; L164-Y220 HydrophobicContact CG-CG 4.27Å; T216-Y220 HydrophobicContact CG2-CD2 4.04Å; T216-Y220 HydrophobicContact CG2-CE2 4.06Å; T216-Y220 WeakPolarHBondContact O-CD2 3.42Å; T216-Y220 PolarHBondContact O-N 3.21Å; L217-Y220 PolarHBondContact O-N 3.42Å; Y220-R222 PolarHBondContact O-N 3.48Å; Y220-K223 HydrophobicContact CD1-CD 4.39Å; Y220-K223 HydrophobicContact CE1-CD 4.4Å; Y220-K223 PolarHBondContact O-N 2.96Å; Y220-K223 VanDerWaalsContact O-N 3.08Å; Y220-L224 WeakPolarHBondContact O-CB 3.37Å; Y220-L224 PolarHBondContact O-N 2.62Å
221L63.9Low60.7Low29 Ų2951.3 Ų51.315%0.15226%0.258CS..Hα-helixtrans-57.7-37.4171.9-76.6169.9000111.2L217 S225 I275L217-L221 VanDerWaalsContact O-CB 3.29Å; L217-L221 WeakPolarHBondContact O-CB 3.46Å; L217-L221 VanDerWaalsContact O-CG 3.26Å; L217-L221 WeakPolarHBondContact O-CG 3.37Å; L217-L221 PolarHBondContact O-N 2.96Å; L221-S225 WeakPolarHBondContact O-CB 3.48Å; L221-S225 PolarHBondContact O-N 3.33Å; L221-I275 HydrophobicContact CD1-CG2 4.5Å
222R62.7Low61.3Low65 Ų6547.9 Ų47.925%0.24524%0.243CC..Hα-helixtrans-64.9-44.3172.2-76.6-175.9-173.1170.97.7112.9V218 I219 Y220 S225 K226 I379V218-R222 WeakPolarHBondContact O-CB 3.36Å; V218-R222 WeakPolarHBondContact O-CG 3.39Å; V218-R222 PolarHBondContact O-N 3.42Å; I219-R222 WeakPolarHBondContact O-CB 3.49Å; I219-R222 PolarHBondContact O-N 3.17Å; Y220-R222 PolarHBondContact O-N 3.48Å; R222-S225 WeakPolarHBondContact O-CB 3.26Å; R222-S225 PolarHBondContact O-N 3.29Å; R222-K226 WeakPolarHBondContact O-CG 3.4Å; R222-K226 PolarHBondContact O-N 3.04Å; R222-I379 HydrophobicContact CG-CG2 3.84Å
223K65.4Low61.5Low85 Ų8545 Ų4537%0.3723%0.228SC..Hα-helixtrans-65.6-48.2177.4-73.6-174.5179.1-176.70111.8E168 I219 Y220 S225 K226 V227E168-K223 WeakPolarHBondContact OE2-CD 3.07Å; I219-K223 PolarHBondContact O-N 3.37Å; I219-K223 VanDerWaalsContact O-N 3.07Å; Y220-K223 HydrophobicContact CD1-CD 4.39Å; Y220-K223 HydrophobicContact CE1-CD 4.4Å; Y220-K223 PolarHBondContact O-N 2.96Å; Y220-K223 VanDerWaalsContact O-N 3.08Å; K223-S225 PolarHBondContact O-N 3.28Å; K223-K226 PolarHBondContact O-N 2.95Å; K223-V227 WeakPolarHBondContact O-CG2 3.42Å; K223-V227 PolarHBondContact O-N 3.49Å
224L63.9Low61.5Low3 Ų349.4 Ų49.42%0.01625%0.251CS..Hα-helixtrans-56.1-44.4175-130.2109000109.5L171 L198 Y220 K226 V227 T228L171-L224 HydrophobicContact CD1-CD1 4.31Å; L171-L224 HydrophobicContact CD1-CD2 3.81Å; L171-L224 HydrophobicContact CD1-CG 3.91Å; L198-L224 HydrophobicContact CD1-CD2 3.7Å; Y220-L224 WeakPolarHBondContact O-CB 3.37Å; Y220-L224 PolarHBondContact O-N 2.62Å; L224-K226 PolarHBondContact O-N 2.87Å; L224-V227 PolarHBondContact O-N 3.02Å; L224-T228 HydrophobicContact CD2-CG2 4.44Å; L224-T228 WeakPolarHBondContact O-CB 3.46Å; L224-T228 VanDerWaalsContact O-CG2 3.26Å; L224-T228 WeakPolarHBondContact O-CG2 3.43Å; L224-T228 PolarHBondContact O-N 3.5Å; L224-T228 PolarHBondContact O-OG1 2.96Å
225S60.5Low61.7Low20 Ų2047.8 Ų47.814%0.1424%0.241CC..Hα-helixtrans-58.2-43174.4-176.50000113.4L221 R222 K223 T228 H229 V384 Y385L221-S225 WeakPolarHBondContact O-CB 3.48Å; L221-S225 PolarHBondContact O-N 3.33Å; R222-S225 WeakPolarHBondContact O-CB 3.26Å; R222-S225 PolarHBondContact O-N 3.29Å; K223-S225 PolarHBondContact O-N 3.28Å; S225-T228 WeakPolarHBondContact CA-OG1 3.39Å; S225-T228 PolarHBondContact O-OG1 2.91Å; S225-T228 VanDerWaalsContact O-OG1 3.07Å; S225-H229 WeakPolarHBondContact O-CA 3.23Å; S225-H229 WeakPolarHBondContact O-CB 3.48Å; S225-H229 PolarHBondContact O-N 3.41Å; S225-V384 WeakPolarHBondContact OG-CG1 3.37Å; S225-Y385 WeakPolarHBondContact CA-OH 3.49Å; S225-Y385 WeakPolarHBondContact CB-OH 3.26Å; S225-Y385 PolarHBondContact OG-OH 2.94Å
226K62Low61.9Low126 Ų12642 Ų4255%0.54821%0.21SC..Hα-helixtrans-65.3-43175.1-71.7178.7178.5-169.40112.7R222 K223 L224 S230R222-K226 WeakPolarHBondContact O-CG 3.4Å; R222-K226 PolarHBondContact O-N 3.04Å; K223-K226 PolarHBondContact O-N 2.95Å; L224-K226 PolarHBondContact O-N 2.87Å; K226-S230 PolarHBondContact O-N 2.95Å; K226-S230 VanDerWaalsContact O-N 3.08Å; K226-S230 PolarHBondContact O-OG 3.38Å
227V61.3Low61.8Low12 Ų1245.6 Ų45.67%0.07323%0.229CC..Hα-helixtrans-66.9-47.4179.41730000110.8E168 L171 Q172 K223 L224 S230 K231E168-V227 HydrophobicContact CG-CG2 3.97Å; L171-V227 HydrophobicContact CB-CG1 4.06Å; Q172-V227 HydrophobicContact CB-CG1 4.47Å; Q172-V227 HydrophobicContact CG-CB 4.29Å; Q172-V227 HydrophobicContact CG-CG1 3.61Å; Q172-V227 HydrophobicContact CG-CG2 3.61Å; K223-V227 WeakPolarHBondContact O-CG2 3.42Å; K223-V227 PolarHBondContact O-N 3.49Å; L224-V227 PolarHBondContact O-N 3.02Å; V227-S230 PolarHBondContact O-OG 3.32Å; V227-S230 VanDerWaalsContact O-OG 3.07Å; V227-K231 HydrophobicContact CG1-CD 4.27Å; V227-K231 WeakPolarHBondContact O-CB 3.41Å; V227-K231 WeakPolarHBondContact O-CG 3.27Å; V227-K231 PolarHBondContact O-N 3Å
228T62.2Low61.8Low0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-66.3-43.3177.754.10000110.3L198 L224 S225 K231 V232 Y385L198-T228 HydrophobicContact CD1-CG2 3.95Å; L198-T228 HydrophobicContact CD2-CG2 4.03Å; L224-T228 HydrophobicContact CD2-CG2 4.44Å; L224-T228 WeakPolarHBondContact O-CB 3.46Å; L224-T228 VanDerWaalsContact O-CG2 3.26Å; L224-T228 WeakPolarHBondContact O-CG2 3.43Å; L224-T228 PolarHBondContact O-N 3.5Å; L224-T228 PolarHBondContact O-OG1 2.96Å; S225-T228 WeakPolarHBondContact CA-OG1 3.39Å; S225-T228 PolarHBondContact O-OG1 2.91Å; S225-T228 VanDerWaalsContact O-OG1 3.07Å; T228-K231 PolarHBondContact O-N 2.95Å; T228-V232 WeakPolarHBondContact O-CA 3.38Å; T228-V232 WeakPolarHBondContact O-CB 3.36Å; T228-V232 WeakPolarHBondContact O-CG2 3.48Å; T228-V232 PolarHBondContact O-N 2.79Å; T228-Y385 VanDerWaalsContact OG1-CE1 3.26Å; T228-Y385 WeakPolarHBondContact OG1-CE1 3.44Å; T228-Y385 PolarHBondContact OG1-OH 3.35Å
229H59.1Low61.9Low86 Ų8647.4 Ų47.440%0.39823%0.232SC..Hα-helixtrans-59.1-53.5179.1-174.773.6000111.9S225 K231 V232 L233 V384S225-H229 WeakPolarHBondContact O-CA 3.23Å; S225-H229 WeakPolarHBondContact O-CB 3.48Å; S225-H229 PolarHBondContact O-N 3.41Å; H229-K231 VanDerWaalsContact C-N 3.33Å; H229-K231 PolarHBondContact O-N 3.3Å; H229-V232 PolarHBondContact O-N 3.05Å; H229-L233 WeakPolarHBondContact O-CB 3.22Å; H229-L233 PolarHBondContact O-N 3.19Å; H229-V384 HydrophobicContact CB-CG1 3.79Å; H229-V384 WeakPolarHBondContact ND1-CG1 3.31Å
230S59.9Low61.7Low63 Ų6345.5 Ų45.544%0.44122%0.221SC..Hα-helixtrans-58.7-42.5179.855.40000112.7K226 V227 L234K226-S230 PolarHBondContact O-N 2.95Å; K226-S230 VanDerWaalsContact O-N 3.08Å; K226-S230 PolarHBondContact O-OG 3.38Å; V227-S230 PolarHBondContact O-OG 3.32Å; V227-S230 VanDerWaalsContact O-OG 3.07Å; S230-L234 WeakPolarHBondContact O-CB 3.47Å; S230-L234 PolarHBondContact O-N 3.4Å
231K60.9Low61.7Low33 Ų3350.3 Ų50.314%0.14324%0.242CC..Hα-helixtrans-77.3-38.4-178.3-70.9-172.4169.2-142.80114.2L171 Q172 Y174 V227 T228 H229 L234 S235L171-K231 WeakPolarHBondContact O-CD 3.45Å; L171-K231 WeakPolarHBondContact O-CE 3.44Å; L171-K231 PolarHBondContact O-NZ 3.25Å; Q172-K231 VanDerWaalsContact CA-NZ 3.35Å; Q172-K231 WeakPolarHBondContact O-CE 3.47Å; Q172-K231 PolarHBondContact O-NZ 3.23Å; Y174-K231 PolarHBondContact O-NZ 3.17Å; V227-K231 HydrophobicContact CG1-CD 4.27Å; V227-K231 WeakPolarHBondContact O-CB 3.41Å; V227-K231 WeakPolarHBondContact O-CG 3.27Å; V227-K231 PolarHBondContact O-N 3Å; T228-K231 PolarHBondContact O-N 2.95Å; H229-K231 VanDerWaalsContact C-N 3.33Å; H229-K231 PolarHBondContact O-N 3.3Å; K231-L234 PolarHBondContact O-N 3.09Å; K231-S235 WeakPolarHBondContact O-CB 3.46Å; K231-S235 PolarHBondContact O-N 3.09Å; K231-S235 PolarHBondContact O-OG 3.36Å
232V61.2Low61.5Low10 Ų1050.6 Ų50.66%0.06124%0.244CC..Hα-helixtrans-65.3-45.1175.1171.30000108.5Y194 T228 H229 L234 S235 Q236 W265Y194-V232 HydrophobicContact CE1-CG2 4.45Å; T228-V232 WeakPolarHBondContact O-CA 3.38Å; T228-V232 WeakPolarHBondContact O-CB 3.36Å; T228-V232 WeakPolarHBondContact O-CG2 3.48Å; T228-V232 PolarHBondContact O-N 2.79Å; H229-V232 PolarHBondContact O-N 3.05Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3.1Å; V232-S235 WeakPolarHBondContact CA-OG 3.3Å; V232-S235 PolarHBondContact O-N 2.82Å; V232-S235 PolarHBondContact O-OG 3.43Å; V232-Q236 HydrophobicContact CG1-CG 4.13Å; V232-Q236 VanDerWaalsContact O-CB 3.31Å; V232-Q236 WeakPolarHBondContact O-CB 3.36Å; V232-Q236 WeakPolarHBondContact O-CG 3.22Å; V232-Q236 PolarHBondContact O-N 3.4Å; V232-W265 HydrophobicContact CG1-CH2 4.21Å; V232-W265 HydrophobicContact CG1-CZ2 4.01Å; V232-W265 HydrophobicContact CG2-CH2 3.75Å; V232-W265 HydrophobicContact CG2-CZ2 3.73Å
233L60.4Low61.5Low70 Ų7048.2 Ų48.237%0.36624%0.236SC..Hα-helixtrans-58.6-45.3174.6-157.496.5000111.5H229 Q236 L237H229-L233 WeakPolarHBondContact O-CB 3.22Å; H229-L233 PolarHBondContact O-N 3.19Å; L233-Q236 PolarHBondContact O-N 3.42Å; L233-L237 HydrophobicContact CD2-CD1 4.05Å; L233-L237 HydrophobicContact CG-CD1 4.25Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.94Å
234L57.4Low61.3Low105 Ų10546.5 Ų46.555%0.5524%0.235SC..Hα-helixtrans-61.9-45.2176.3-122.7142.5000112.3S230 K231 V232 Q236 L237 Y238S230-L234 WeakPolarHBondContact O-CB 3.47Å; S230-L234 PolarHBondContact O-N 3.4Å; K231-L234 PolarHBondContact O-N 3.09Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3.1Å; L234-Q236 VanDerWaalsContact C-N 3.31Å; L234-Q236 PolarHBondContact O-N 3.17Å; L234-L237 PolarHBondContact O-N 2.75Å; L234-Y238 WeakPolarHBondContact O-CB 3.49Å; L234-Y238 PolarHBondContact O-N 3.4Å
235S61.2Low60.9Low2 Ų251.6 Ų51.61%0.01426%0.262CS..Hα-helixtrans-62.3-40.4175.670.70000111.7F176 W191 K231 V232 Y238 I239F176-S235 VanDerWaalsContact CZ-CB 3.42Å; W191-S235 PolarHBondContact NE1-OG 3Å; K231-S235 WeakPolarHBondContact O-CB 3.46Å; K231-S235 PolarHBondContact O-N 3.09Å; K231-S235 PolarHBondContact O-OG 3.36Å; V232-S235 WeakPolarHBondContact CA-OG 3.3Å; V232-S235 PolarHBondContact O-N 2.82Å; V232-S235 PolarHBondContact O-OG 3.43Å; S235-Y238 PolarHBondContact O-N 3.36Å; S235-I239 WeakPolarHBondContact O-CB 3.43Å; S235-I239 WeakPolarHBondContact O-CD1 3.35Å; S235-I239 WeakPolarHBondContact O-CG1 3.3Å; S235-I239 PolarHBondContact O-N 3.13Å
236Q63.2Low60.5Low6 Ų656 Ų563%0.02828%0.284CS..Hα-helixtrans-70.5-40.6-179.6-71.7172.8-10.400111.2W191 V232 L233 L234 Y238 Q240 N388 L391W191-Q236 HydrophobicContact CZ2-CG 4.4Å; V232-Q236 HydrophobicContact CG1-CG 4.13Å; V232-Q236 VanDerWaalsContact O-CB 3.31Å; V232-Q236 WeakPolarHBondContact O-CB 3.36Å; V232-Q236 WeakPolarHBondContact O-CG 3.22Å; V232-Q236 PolarHBondContact O-N 3.4Å; L233-Q236 PolarHBondContact O-N 3.42Å; L234-Q236 VanDerWaalsContact C-N 3.31Å; L234-Q236 PolarHBondContact O-N 3.17Å; Q236-Y238 VanDerWaalsContact C-N 3.34Å; Q236-Q240 WeakPolarHBondContact O-CB 3.14Å; Q236-Q240 PolarHBondContact O-N 3.05Å; Q236-N388 HydrophobicContact CB-CB 4.18Å; Q236-L391 HydrophobicContact CB-CD2 3.94Å; Q236-L391 HydrophobicContact CG-CD2 3.65Å
237L60.7Low59.7Low84 Ų8457 Ų5744%0.4429%0.289SS..Hα-helixtrans-64.9-37.7173.9-74.1169.8000111.6L233 L234 Q240 K241L233-L237 HydrophobicContact CD2-CD1 4.05Å; L233-L237 HydrophobicContact CG-CD1 4.25Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.94Å; L234-L237 PolarHBondContact O-N 2.75Å; L237-Q240 PolarHBondContact O-N 2.61Å; L237-K241 VanDerWaalsContact O-CB 3.32Å; L237-K241 WeakPolarHBondContact O-CB 3.45Å; L237-K241 PolarHBondContact O-N 3.22Å
238Y60.6Low59.3Low82 Ų8258.6 Ų58.632%0.32231%0.307SS..Hα-helixtrans-75.2-39.4178-165.3-88.4000112.4M187 L234 S235 Q236 Q240 K241 L242M187-Y238 HydrophobicContact CE-CD1 3.82Å; M187-Y238 HydrophobicContact CE-CE1 4.36Å; M187-Y238 HydrophobicContact SD-CD1 3.23Å; M187-Y238 WeakPolarHBondContact SD-CD1 3.41Å; M187-Y238 HydrophobicContact SD-CE1 3.44Å; M187-Y238 WeakPolarHBondContact SD-CE1 3.11Å; M187-Y238 HydrophobicContact SD-CG 4.4Å; L234-Y238 WeakPolarHBondContact O-CB 3.49Å; L234-Y238 PolarHBondContact O-N 3.4Å; S235-Y238 PolarHBondContact O-N 3.36Å; Q236-Y238 VanDerWaalsContact C-N 3.34Å; Y238-Q240 VanDerWaalsContact C-N 3.31Å; Y238-K241 PolarHBondContact O-N 3.25Å; Y238-L242 HydrophobicContact CD1-CD1 3.65Å; Y238-L242 HydrophobicContact CD1-CG 4.17Å; Y238-L242 HydrophobicContact CE1-CD1 3.45Å; Y238-L242 VanDerWaalsContact CE1-CD1 3.45Å; Y238-L242 HydrophobicContact CE1-CG 3.95Å; Y238-L242 WeakPolarHBondContact O-CB 3.46Å; Y238-L242 PolarHBondContact O-N 3.05Å
239I64.3Low59.1Low5 Ų565 Ų653%0.02634%0.335CS..Hα-helixtrans-61.9-43169.3-63.9161.2000109.5M187 W191 S235 K241 L242 L243 L391M187-I239 HydrophobicContact CE-CB 4.19Å; M187-I239 HydrophobicContact CE-CD1 4.34Å; M187-I239 HydrophobicContact CE-CG1 3.23Å; W191-I239 HydrophobicContact CD2-CD1 4.01Å; W191-I239 HydrophobicContact CE3-CD1 3.4Å; W191-I239 VanDerWaalsContact CE3-CD1 3.4Å; W191-I239 HydrophobicContact CH2-CD1 4.09Å; W191-I239 HydrophobicContact CZ3-CD1 3.46Å; W191-I239 VanDerWaalsContact CZ3-CD1 3.46Å; S235-I239 WeakPolarHBondContact O-CB 3.43Å; S235-I239 WeakPolarHBondContact O-CD1 3.35Å; S235-I239 WeakPolarHBondContact O-CG1 3.3Å; S235-I239 PolarHBondContact O-N 3.13Å; I239-K241 VanDerWaalsContact C-N 3.31Å; I239-K241 PolarHBondContact O-N 2.93Å; I239-L242 PolarHBondContact O-N 3.24Å; I239-L243 HydrophobicContact CG2-CD1 3.7Å; I239-L243 HydrophobicContact CG2-CG 4.11Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 VanDerWaalsContact O-CG 3.22Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 3.2Å; I239-L391 HydrophobicContact CB-CD1 3.85Å; I239-L391 HydrophobicContact CD1-CD2 4.44Å; I239-L391 HydrophobicContact CG2-CD1 3.4Å
240Q62.5Low59.4Low52 Ų5261.7 Ų61.724%0.24332%0.32CS..Hα-helixtrans-59.5-44175.5179.9-178.2-8.300110.8Q236 L237 Y238 L243 S244 S390Q236-Q240 WeakPolarHBondContact O-CB 3.14Å; Q236-Q240 PolarHBondContact O-N 3.05Å; L237-Q240 PolarHBondContact O-N 2.61Å; Y238-Q240 VanDerWaalsContact C-N 3.31Å; Q240-L243 PolarHBondContact O-N 3.5Å; Q240-S244 WeakPolarHBondContact O-CB 3.35Å; Q240-S244 PolarHBondContact O-N 3.35Å; Q240-S244 PolarHBondContact O-OG 3.16Å; Q240-S390 PolarHBondContact OE1-OG 3.2Å
241K61.7Low59.7Low119 Ų11961.1 Ų61.152%0.51732%0.316SS..Hα-helixtrans-63.6-44.6177-172.5175.1179.9-178.20112L237 Y238 I239 L243 S244 D245L237-K241 VanDerWaalsContact O-CB 3.32Å; L237-K241 WeakPolarHBondContact O-CB 3.45Å; L237-K241 PolarHBondContact O-N 3.22Å; Y238-K241 PolarHBondContact O-N 3.25Å; I239-K241 VanDerWaalsContact C-N 3.31Å; I239-K241 PolarHBondContact O-N 2.93Å; K241-L243 PolarHBondContact O-N 2.94Å; K241-S244 WeakPolarHBondContact CA-OG 3.3Å; K241-S244 PolarHBondContact O-N 2.59Å; K241-S244 PolarHBondContact O-OG 3.42Å; K241-D245 WeakPolarHBondContact CE-OD2 3.39Å; K241-D245 WeakPolarHBondContact CG-OD2 3.5Å; K241-D245 VanDerWaalsContact O-CB 3.23Å; K241-D245 WeakPolarHBondContact O-CB 3.38Å; K241-D245 PolarHBondContact O-N 3.17Å
242L60.6Low59.9Low35 Ų3561.7 Ų61.718%0.18332%0.32CS..Hα-helixtrans-62.3-42.4174.6-80.7167.8000111.8L184 M187 Y238 I239 S244 D246L184-L242 HydrophobicContact CD1-CB 4.28Å; L184-L242 HydrophobicContact CD1-CD1 3.95Å; M187-L242 HydrophobicContact CE-CD1 3.47Å; M187-L242 VanDerWaalsContact CE-CD1 3.47Å; M187-L242 HydrophobicContact SD-CD1 3.88Å; Y238-L242 HydrophobicContact CD1-CD1 3.65Å; Y238-L242 HydrophobicContact CD1-CG 4.17Å; Y238-L242 HydrophobicContact CE1-CD1 3.45Å; Y238-L242 VanDerWaalsContact CE1-CD1 3.45Å; Y238-L242 HydrophobicContact CE1-CG 3.95Å; Y238-L242 WeakPolarHBondContact O-CB 3.46Å; Y238-L242 PolarHBondContact O-N 3.05Å; I239-L242 PolarHBondContact O-N 3.24Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.43Å; L242-D246 WeakPolarHBondContact O-CB 3.28Å; L242-D246 PolarHBondContact O-N 3.13Å
243L63.6Low60.1Low15 Ų1569.3 Ų69.38%0.07935%0.348CS..Hα-helixtrans-69.9-27176.6-70.5172.3000113I239 Q240 K241 D246 L250 L391 C394 L395 A398I239-L243 HydrophobicContact CG2-CD1 3.7Å; I239-L243 HydrophobicContact CG2-CG 4.11Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 VanDerWaalsContact O-CG 3.22Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 3.2Å; Q240-L243 PolarHBondContact O-N 3.5Å; K241-L243 PolarHBondContact O-N 2.94Å; L243-D246 CarbonylContact O-C 3.33Å; L243-L250 HydrophobicContact CD2-CD1 4.31Å; L243-L250 HydrophobicContact CD2-CD2 3.91Å; L243-L250 HydrophobicContact CD2-CG 4.42Å; L243-L391 HydrophobicContact CD1-CD1 3.78Å; L243-C394 HydrophobicContact CB-CB 4.23Å; L243-C394 HydrophobicContact CD1-CB 3.92Å; L243-L395 HydrophobicContact CD1-CD2 3.92Å; L243-L395 HydrophobicContact CD1-CG 4.22Å; L243-A398 HydrophobicContact CD2-CB 4.38Å
244S59.9Low60.5Low49 Ų4967.4 Ų67.434%0.34334%0.337SS..Hα-helixtrans-84.4-36.6177.164.40000112.9Q240 K241 L242 F247Q240-S244 WeakPolarHBondContact O-CB 3.35Å; Q240-S244 PolarHBondContact O-N 3.35Å; Q240-S244 PolarHBondContact O-OG 3.16Å; K241-S244 WeakPolarHBondContact CA-OG 3.3Å; K241-S244 PolarHBondContact O-N 2.59Å; K241-S244 PolarHBondContact O-OG 3.42Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.43Å; S244-F247 WeakPolarHBondContact O-CD2 3.3Å; S244-F247 VanDerWaalsContact O-CE2 3.31Å; S244-F247 WeakPolarHBondContact O-CE2 3.42Å
245D56.3Low61Low110 Ų11062.4 Ų62.459%0.58831%0.311SS*.Hα-helixtrans-76.1-40.5179.9-67.9-8.3000109.8K241K241-D245 WeakPolarHBondContact CE-OD2 3.39Å; K241-D245 WeakPolarHBondContact CG-OD2 3.5Å; K241-D245 VanDerWaalsContact O-CB 3.23Å; K241-D245 WeakPolarHBondContact O-CB 3.38Å; K241-D245 PolarHBondContact O-N 3.17Å
246D52.3Low61.2Low112 Ų11265 Ų6560%0.59932%0.32SS*.  trans-10681.2169.3-71.4-36000109.7L242 L243 G248L242-D246 WeakPolarHBondContact O-CB 3.28Å; L242-D246 PolarHBondContact O-N 3.13Å; L243-D246 CarbonylContact O-C 3.33Å; D246-G248 PolarHBondContact O-N 3.04Å
247F45.4Very low61.4Low148 Ų14865.6 Ų65.665%0.64932%0.324SS*.  trans-58.819154.7-78.2-82.5000112.7S244 Q401S244-F247 WeakPolarHBondContact O-CD2 3.3Å; S244-F247 VanDerWaalsContact O-CE2 3.31Å; S244-F247 WeakPolarHBondContact O-CE2 3.42Å; F247-Q401 PolarHBondContact O-NE2 3.2Å; F247-Q401 PolarHBondContact O-OE1 3.38Å
248G51.8Low61.7Low44 Ų4462 Ų6245%0.45431%0.305SS..PPolyproline II helixtrans-78.8154176.700000112.3D246 L250D246-G248 PolarHBondContact O-N 3.04Å; G248-L250 PolarHBondContact O-N 3.32Å
249K58.7Low61.9Low136 Ų13658.6 Ų58.659%0.59129%0.293SS*.PPolyproline II helixtrans-56.9120.5-172.4-53.2-173.7175.8-152.60111S251 D405K249-S251 PolarHBondContact O-N 3.16Å; K249-D405 WeakPolarHBondContact CD-OD2 3.48Å; K249-D405 WeakPolarHBondContact CE-OD1 3.49Å; K249-D405 WeakPolarHBondContact CE-OD2 3.3Å; K249-D405 VanDerWaalsContact CG-OD2 3.3Å; K249-D405 WeakPolarHBondContact CG-OD2 3.07Å; K249-D405 VanDerWaalsContact NZ-CG 3.27Å; K249-D405 IonicContact NZ-OD1 3.44Å; K249-D405 PolarHBondContact NZ-OD1 3.31Å; K249-D405 IonicContact NZ-OD2 3.2Å; K249-D405 PolarHBondContact NZ-OD2 2.68Å
250L65.7Low62Low15 Ų1561.1 Ų61.18%0.07930%0.304CS..PPolyproline II helixtrans-66.2128.3169.8-70.9172.7000109.7L184 L243 G248 E254 L255 I258 A398 T402L184-L250 HydrophobicContact CD2-CD2 3.42Å; L184-L250 VanDerWaalsContact CD2-CD2 3.42Å; L243-L250 HydrophobicContact CD2-CD1 4.31Å; L243-L250 HydrophobicContact CD2-CD2 3.91Å; L243-L250 HydrophobicContact CD2-CG 4.42Å; G248-L250 PolarHBondContact O-N 3.32Å; L250-E254 HydrophobicContact CD2-CB 4.29Å; L250-L255 HydrophobicContact CB-CD1 4.4Å; L250-L255 HydrophobicContact CB-CD2 4.18Å; L250-L255 HydrophobicContact CB-CG 3.97Å; L250-L255 HydrophobicContact CD1-CD2 3.67Å; L250-L255 HydrophobicContact CD1-CG 4.35Å; L250-I258 HydrophobicContact CD1-CD1 4.12Å; L250-A398 HydrophobicContact CD1-CB 3.5Å; L250-A398 HydrophobicContact CG-CB 4.17Å; L250-T402 HydrophobicContact CB-CG2 4.07Å
251S66.5Low62.1Low52 Ų5258.7 Ų58.736%0.36429%0.293SS..PPolyproline II helixtrans-66.8152.4172.268.60000110.8K249 R253 E254 L255K249-S251 PolarHBondContact O-N 3.16Å; S251-R253 PolarHBondContact O-N 3.44Å; S251-R253 VanDerWaalsContact O-N 3.1Å; S251-E254 WeakPolarHBondContact CB-OE2 3.22Å; S251-E254 PolarHBondContact N-OE2 3.15Å; S251-E254 PolarHBondContact O-N 3.14Å; S251-E254 VanDerWaalsContact OG-CG 3.23Å; S251-E254 WeakPolarHBondContact OG-CG 3.3Å; S251-E254 PolarHBondContact OG-N 3.2Å; S251-E254 PolarHBondContact OG-OE2 2.95Å; S251-L255 PolarHBondContact O-N 3.5Å; S251-L255 VanDerWaalsContact O-N 3.11Å
252L64.4Low62.3Low45 Ų4553.3 Ų53.324%0.23627%0.27CS..Hα-helixtrans-53.8-33.9176.7-161.7111.9000112.2R256 Y406 I529L252-R256 WeakPolarHBondContact O-CG 3.4Å; L252-R256 PolarHBondContact O-N 3.24Å; L252-R256 VanDerWaalsContact O-N 3.1Å; L252-Y406 WeakPolarHBondContact CD1-OH 3.39Å; L252-I529 HydrophobicContact CD1-CD1 3.54Å; L252-I529 HydrophobicContact CD2-CD1 4.41Å; L252-I529 HydrophobicContact CG-CD1 3.51Å
253R65.7Low62.4Low170 Ų17053.8 Ų53.864%0.64227%0.27SS*.Hα-helixtrans-69.8-38.9178.2-168.6175.7-178168.60.5112.4S251 N257S251-R253 PolarHBondContact O-N 3.44Å; S251-R253 VanDerWaalsContact O-N 3.1Å; R253-N257 PolarHBondContact O-N 2.71Å; R253-N257 VanDerWaalsContact O-N 3.13Å
254E67.6Low62.4Low29 Ų2953.4 Ų53.414%0.13627%0.268CS..Hα-helixtrans-66.7-44.2176.3-72.6156.7163.100111L184 C185 L188 L250 S251 R256 N257 I258L184-E254 HydrophobicContact CD2-CG 4.25Å; L184-E254 HydrophobicContact CG-CG 4.37Å; C185-E254 HydrophobicContact CB-CG 3.92Å; L188-E254 HydrophobicContact CD1-CB 3.85Å; L188-E254 HydrophobicContact CD1-CG 4.05Å; L250-E254 HydrophobicContact CD2-CB 4.29Å; S251-E254 WeakPolarHBondContact CB-OE2 3.22Å; S251-E254 PolarHBondContact N-OE2 3.15Å; S251-E254 PolarHBondContact O-N 3.14Å; S251-E254 VanDerWaalsContact OG-CG 3.23Å; S251-E254 WeakPolarHBondContact OG-CG 3.3Å; S251-E254 PolarHBondContact OG-N 3.2Å; S251-E254 PolarHBondContact OG-OE2 2.95Å; E254-R256 PolarHBondContact O-N 3.31Å; E254-N257 PolarHBondContact O-N 3.41Å; E254-N257 VanDerWaalsContact O-N 3.16Å; E254-I258 WeakPolarHBondContact O-CD1 3.5Å; E254-I258 VanDerWaalsContact O-CG1 3.31Å; E254-I258 WeakPolarHBondContact O-CG1 3.26Å; E254-I258 PolarHBondContact O-N 3.17Å
255L67.7Low62.6Low1 Ų151.6 Ų51.61%0.00525%0.254CS..Hα-helixtrans-62.1-40.4176.6-71.7171.4000112.9L250 S251 N257 I258 N259 T399 T402 F525 I529 M533L250-L255 HydrophobicContact CB-CD1 4.4Å; L250-L255 HydrophobicContact CB-CD2 4.18Å; L250-L255 HydrophobicContact CB-CG 3.97Å; L250-L255 HydrophobicContact CD1-CD2 3.67Å; L250-L255 HydrophobicContact CD1-CG 4.35Å; S251-L255 PolarHBondContact O-N 3.5Å; S251-L255 VanDerWaalsContact O-N 3.11Å; L255-N257 VanDerWaalsContact C-N 3.34Å; L255-N257 PolarHBondContact O-N 3.1Å; L255-I258 HydrophobicContact CD2-CD1 4.44Å; L255-I258 PolarHBondContact O-N 3.24Å; L255-N259 WeakPolarHBondContact O-CB 3.36Å; L255-N259 PolarHBondContact O-N 3.21Å; L255-T399 HydrophobicContact CD2-CG2 3.71Å; L255-T402 HydrophobicContact CD1-CG2 4.31Å; L255-F525 HydrophobicContact CD1-CE2 3.72Å; L255-I529 HydrophobicContact CB-CD1 4.18Å; L255-I529 HydrophobicContact CB-CG2 3.61Å; L255-I529 HydrophobicContact CD1-CD1 4.4Å; L255-I529 HydrophobicContact CD1-CG2 4.04Å; L255-I529 HydrophobicContact CG-CG2 4.28Å; L255-M533 HydrophobicContact CD2-CE 3.94Å
256R66.6Low62.9Low55 Ų5546.6 Ų46.621%0.20823%0.228CC..Hα-helixtrans-60.1-43.8173-77-179.6-179168.92.4111.8L252 E254 N259 E260 N435 E528 I529L252-R256 WeakPolarHBondContact O-CG 3.4Å; L252-R256 PolarHBondContact O-N 3.24Å; L252-R256 VanDerWaalsContact O-N 3.1Å; E254-R256 PolarHBondContact O-N 3.31Å; R256-N259 PolarHBondContact O-N 3.06Å; R256-E260 PolarHBondContact O-N 3.27Å; R256-E260 VanDerWaalsContact O-N 3.1Å; R256-N435 PolarHBondContact NH1-O 2.88Å; R256-E528 IonicContact CZ-OE2 2.67Å; R256-E528 IonicContact NE-OE2 2.78Å; R256-E528 IonicContact NH2-OE1 3.51Å; R256-E528 IonicContact NH2-OE2 2.77Å; R256-E528 PolarHBondContact NH2-OE2 3.45Å; R256-I529 HydrophobicContact CG-CG1 4.42Å
257N66.2Low63.4Low20 Ų2042.9 Ų42.911%0.10721%0.208CC..Hα-helixtrans-64.3-43.7177.1-78-13.9000111.7L188 S189 R253 E254 L255 N259 E260 I261L188-N257 HydrophobicContact CB-CB 3.9Å; L188-N257 HydrophobicContact CD1-CB 4.38Å; S189-N257 PolarHBondContact OG-ND2 3.38Å; S189-N257 VanDerWaalsContact OG-ND2 3.12Å; R253-N257 PolarHBondContact O-N 2.71Å; R253-N257 VanDerWaalsContact O-N 3.13Å; E254-N257 PolarHBondContact O-N 3.41Å; E254-N257 VanDerWaalsContact O-N 3.16Å; L255-N257 VanDerWaalsContact C-N 3.34Å; L255-N257 PolarHBondContact O-N 3.1Å; N257-N259 VanDerWaalsContact C-N 3.32Å; N257-N259 PolarHBondContact O-N 2.71Å; N257-E260 PolarHBondContact O-N 2.96Å; N257-I261 WeakPolarHBondContact O-CD1 3.27Å; N257-I261 WeakPolarHBondContact O-CG1 3.26Å; N257-I261 PolarHBondContact O-N 3.47Å
258I67Low64.1Low8 Ų835.9 Ų35.94%0.04118%0.177CC..Hα-helixtrans-57.1-47175.1-70.3158.4000110.4L188 L250 E254 L255 E260 I261 L262 L395 M533L188-I258 HydrophobicContact CD1-CD1 4.1Å; L188-I258 HydrophobicContact CD1-CG1 3.83Å; L188-I258 HydrophobicContact CD2-CG1 3.8Å; L188-I258 HydrophobicContact CG-CG1 4.48Å; L250-I258 HydrophobicContact CD1-CD1 4.12Å; E254-I258 WeakPolarHBondContact O-CD1 3.5Å; E254-I258 VanDerWaalsContact O-CG1 3.31Å; E254-I258 WeakPolarHBondContact O-CG1 3.26Å; E254-I258 PolarHBondContact O-N 3.17Å; L255-I258 HydrophobicContact CD2-CD1 4.44Å; L255-I258 PolarHBondContact O-N 3.24Å; I258-E260 PolarHBondContact O-N 3.41Å; I258-I261 WeakPolarHBondContact O-CB 3.47Å; I258-I261 PolarHBondContact O-N 3.19Å; I258-I261 VanDerWaalsContact O-N 3.16Å; I258-L262 HydrophobicContact CG2-CD1 4.09Å; I258-L262 HydrophobicContact CG2-CG 4.33Å; I258-L262 WeakPolarHBondContact O-CG 3.49Å; I258-L262 PolarHBondContact O-N 3.06Å; I258-L395 HydrophobicContact CD1-CD2 3.65Å; I258-L395 HydrophobicContact CG1-CD2 4.14Å; I258-L395 HydrophobicContact CG2-CD1 4.09Å; I258-L395 HydrophobicContact CG2-CD2 3.89Å; I258-M533 HydrophobicContact CG2-CE 4.02Å
259N65.6Low64.5Low11 Ų1136 Ų366%0.05917%0.171CC..Hα-helixtrans-63.3-42.1-177.6-156.44.1000112.5L255 R256 N257 I261 L262 K263 I529 P532 M533 N536L255-N259 WeakPolarHBondContact O-CB 3.36Å; L255-N259 PolarHBondContact O-N 3.21Å; R256-N259 PolarHBondContact O-N 3.06Å; N257-N259 VanDerWaalsContact C-N 3.32Å; N257-N259 PolarHBondContact O-N 2.71Å; N259-I261 VanDerWaalsContact C-N 3.35Å; N259-L262 PolarHBondContact O-N 3.08Å; N259-K263 WeakPolarHBondContact O-CB 3.46Å; N259-K263 PolarHBondContact O-N 3.43Å; N259-I529 PolarHBondContact ND2-O 3.32Å; N259-P532 VanDerWaalsContact ND2-CB 3.34Å; N259-P532 WeakPolarHBondContact ND2-CB 3.31Å; N259-M533 PolarHBondContact OD1-N 2.95Å; N259-N536 PolarHBondContact OD1-ND2 3.05Å
260E66.5Low64.6Low58 Ų5832.5 Ų32.527%0.27116%0.156SC..Hα-helixtrans-66.2-36.4173.9-80.2-65.1126.300112.3K192 R256 N257 I258 K263 I264 K476K192-E260 HydrophobicContact CD-CB 4.42Å; R256-E260 PolarHBondContact O-N 3.27Å; R256-E260 VanDerWaalsContact O-N 3.1Å; N257-E260 PolarHBondContact O-N 2.96Å; I258-E260 PolarHBondContact O-N 3.41Å; E260-K263 PolarHBondContact O-N 2.97Å; E260-I264 WeakPolarHBondContact O-CD1 3.48Å; E260-I264 WeakPolarHBondContact O-CG1 3.27Å; E260-I264 PolarHBondContact O-N 3.29Å; E260-K476 IonicContact OE1-NZ 2.78Å; E260-K476 PolarHBondContact OE1-NZ 3.43Å; E260-K476 VanDerWaalsContact OE1-NZ 3.13Å
261I64.7Low64.4Low1 Ų132.5 Ų32.51%0.00516%0.155CC..Hα-helixtrans-64.9-46174.9-67.1162.2000111.1L188 W191 K192 N257 I258 N259 K263 I264 W265L188-I261 HydrophobicContact CB-CD1 4.24Å; L188-I261 HydrophobicContact CD2-CD1 3.93Å; L188-I261 VanDerWaalsContact O-CD1 3.3Å; L188-I261 WeakPolarHBondContact O-CD1 3.32Å; W191-I261 HydrophobicContact CB-CD1 4.42Å; W191-I261 HydrophobicContact CD2-CD1 4.36Å; W191-I261 HydrophobicContact CD2-CG2 4.08Å; W191-I261 HydrophobicContact CE3-CB 4.49Å; W191-I261 HydrophobicContact CE3-CD1 3.64Å; W191-I261 HydrophobicContact CE3-CG1 4.41Å; W191-I261 HydrophobicContact CE3-CG2 3.61Å; W191-I261 HydrophobicContact CH2-CG2 3.85Å; W191-I261 HydrophobicContact CZ2-CG2 4.33Å; W191-I261 HydrophobicContact CZ3-CB 4.49Å; W191-I261 HydrophobicContact CZ3-CD1 4.3Å; W191-I261 HydrophobicContact CZ3-CG2 3.47Å; W191-I261 VanDerWaalsContact CZ3-CG2 3.47Å; K192-I261 HydrophobicContact CB-CD1 4.13Å; K192-I261 HydrophobicContact CB-CG1 3.71Å; K192-I261 HydrophobicContact CG-CG1 4.28Å; N257-I261 WeakPolarHBondContact O-CD1 3.27Å; N257-I261 WeakPolarHBondContact O-CG1 3.26Å; N257-I261 PolarHBondContact O-N 3.47Å; I258-I261 WeakPolarHBondContact O-CB 3.47Å; I258-I261 PolarHBondContact O-N 3.19Å; I258-I261 VanDerWaalsContact O-N 3.16Å; N259-I261 VanDerWaalsContact C-N 3.35Å; I261-K263 VanDerWaalsContact C-N 3.26Å; I261-K263 PolarHBondContact O-N 2.88Å; I261-I264 PolarHBondContact O-N 3.33Å; I261-W265 VanDerWaalsContact O-CD1 3.27Å; I261-W265 PolarHBondContact O-N 3.06Å
262L64.8Low64.1Low5 Ų531.7 Ų31.73%0.02615%0.147CC..Hα-helixtrans-55.6-43.4175.3-72.3173.9000111.4I258 N259 W265 S266 I387 M533 N536I258-L262 HydrophobicContact CG2-CD1 4.09Å; I258-L262 HydrophobicContact CG2-CG 4.33Å; I258-L262 WeakPolarHBondContact O-CG 3.49Å; I258-L262 PolarHBondContact O-N 3.06Å; N259-L262 PolarHBondContact O-N 3.08Å; L262-W265 PolarHBondContact O-N 2.81Å; L262-S266 PolarHBondContact O-N 3.41Å; L262-I387 HydrophobicContact CD2-CD1 3.34Å; L262-M533 HydrophobicContact CD1-CG 4.04Å; L262-N536 HydrophobicContact CB-CB 4.15Å
263K64.4Low63.8Low46 Ų4632.2 Ų32.220%0.215%0.147CC..Hα-helixtrans-64.5-46.3176.6-178.9-133.2175.7170.50112.4N259 E260 I261 W265 S266 N267 K476N259-K263 WeakPolarHBondContact O-CB 3.46Å; N259-K263 PolarHBondContact O-N 3.43Å; E260-K263 PolarHBondContact O-N 2.97Å; I261-K263 VanDerWaalsContact C-N 3.26Å; I261-K263 PolarHBondContact O-N 2.88Å; K263-W265 VanDerWaalsContact C-N 3.27Å; K263-W265 PolarHBondContact O-N 3.07Å; K263-S266 WeakPolarHBondContact O-CB 3.48Å; K263-S266 PolarHBondContact O-N 3.22Å; K263-N267 PolarHBondContact O-N 2.96Å; K263-K476 HydrophobicContact CD-CD 4.41Å; K263-K476 HydrophobicContact CD-CG 4.47Å
264I63.5Low63.6Low7 Ų728.1 Ų28.14%0.03613%0.132CC..Hα-helixtrans-60.8-40.9177.3-64157.1000110.1K192 A195 N196 F199 E260 I261 N267 I268K192-I264 HydrophobicContact CG-CD1 3.84Å; A195-I264 HydrophobicContact CB-CB 4.41Å; A195-I264 HydrophobicContact CB-CG2 3.76Å; N196-I264 WeakPolarHBondContact ND2-CD1 3.35Å; N196-I264 VanDerWaalsContact OD1-CD1 3.3Å; N196-I264 WeakPolarHBondContact OD1-CD1 3.21Å; F199-I264 HydrophobicContact CB-CG2 4.29Å; E260-I264 WeakPolarHBondContact O-CD1 3.48Å; E260-I264 WeakPolarHBondContact O-CG1 3.27Å; E260-I264 PolarHBondContact O-N 3.29Å; I261-I264 PolarHBondContact O-N 3.33Å; I264-N267 WeakPolarHBondContact O-CB 2.75Å; I264-N267 PolarHBondContact O-N 3.17Å; I264-I268 HydrophobicContact CG2-CD1 3.89Å; I264-I268 HydrophobicContact CG2-CG1 4.38Å; I264-I268 WeakPolarHBondContact O-CG1 3.26Å; I264-I268 PolarHBondContact O-N 3.3Å
265W63.5Low63.2Low10 Ų1027.8 Ų27.84%0.03813%0.131CC..Hα-helixtrans-63.8-42.9175.3-86.8113.2000113.6W191 L198 V232 I261 L262 K263 N267 I268 S269 Y385 I387W191-W265 AromaticContact CE2-NE1 3.98Å; W191-W265 AromaticContact CH2-NE1 3.94Å; W191-W265 HydrophobicContact CZ2-CZ2 4.49Å; W191-W265 AromaticContact CZ2-NE1 3.45Å; L198-W265 HydrophobicContact CD2-CH2 4.37Å; V232-W265 HydrophobicContact CG1-CH2 4.21Å; V232-W265 HydrophobicContact CG1-CZ2 4.01Å; V232-W265 HydrophobicContact CG2-CH2 3.75Å; V232-W265 HydrophobicContact CG2-CZ2 3.73Å; I261-W265 VanDerWaalsContact O-CD1 3.27Å; I261-W265 PolarHBondContact O-N 3.06Å; L262-W265 PolarHBondContact O-N 2.81Å; K263-W265 VanDerWaalsContact C-N 3.27Å; K263-W265 PolarHBondContact O-N 3.07Å; W265-N267 PolarHBondContact O-N 2.8Å; W265-I268 HydrophobicContact CD2-CD1 4.39Å; W265-I268 HydrophobicContact CE3-CB 4.31Å; W265-I268 HydrophobicContact CE3-CD1 4.15Å; W265-I268 HydrophobicContact CE3-CG2 4.14Å; W265-I268 HydrophobicContact CZ3-CD1 4.38Å; W265-I268 HydrophobicContact CZ3-CG2 4.07Å; W265-I268 PolarHBondContact O-N 3.5Å; W265-S269 WeakPolarHBondContact O-CB 3.44Å; W265-S269 PolarHBondContact O-N 3.49Å; W265-Y385 HydrophobicContact CH2-CD1 4.29Å; W265-Y385 AromaticContact CZ3-CD1 3.96Å; W265-Y385 HydrophobicContact CZ3-CD1 3.96Å; W265-Y385 HydrophobicContact CZ3-CG 4.43Å; W265-I387 HydrophobicContact CB-CD1 4.35Å; W265-I387 HydrophobicContact CG-CD1 4.39Å; W265-I387 HydrophobicContact CG-CG1 4.48Å
266S61.5Low62.8Low6 Ų630.6 Ų30.64%0.04214%0.144CC..Hα-helixtrans-56.7-41.4172.9-175.10000111.1L262 K263 S269 K270L262-S266 PolarHBondContact O-N 3.41Å; K263-S266 WeakPolarHBondContact O-CB 3.48Å; K263-S266 PolarHBondContact O-N 3.22Å; S266-S269 PolarHBondContact O-N 3.44Å; S266-K270 WeakPolarHBondContact O-CG 3.45Å; S266-K270 PolarHBondContact O-N 3.39Å
267N62.7Low62.4Low34 Ų3432.8 Ų32.818%0.18216%0.159CC..Hα-helixtrans-69.2-41.1176.7-73.1-12000113.4F199 K263 I264 W265 S269 K270 Q271F199-N267 HydrophobicContact CD2-CB 4Å; F199-N267 HydrophobicContact CE2-CB 3.68Å; F199-N267 HydrophobicContact CZ-CB 4.43Å; K263-N267 PolarHBondContact O-N 2.96Å; I264-N267 WeakPolarHBondContact O-CB 2.75Å; I264-N267 PolarHBondContact O-N 3.17Å; W265-N267 PolarHBondContact O-N 2.8Å; N267-S269 VanDerWaalsContact C-N 3.33Å; N267-K270 PolarHBondContact O-N 2.85Å; N267-Q271 PolarHBondContact O-N 3.45Å
268I60.1Low62.1Low0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-58.3-47.6173-72.6165.5000110.1A195 L198 F199 L202 I264 W265 K270 Q271 L272A195-I268 HydrophobicContact CB-CD1 4.4Å; L198-I268 HydrophobicContact CD2-CD1 4.2Å; L198-I268 HydrophobicContact CG-CD1 4.43Å; F199-I268 HydrophobicContact CB-CD1 4.33Å; F199-I268 HydrophobicContact CB-CG1 3.83Å; F199-I268 HydrophobicContact CD2-CG1 4.01Å; F199-I268 HydrophobicContact CG-CG1 4.43Å; L202-I268 HydrophobicContact CD1-CB 4.45Å; L202-I268 HydrophobicContact CD1-CG1 4.45Å; L202-I268 HydrophobicContact CD1-CG2 3.67Å; I264-I268 HydrophobicContact CG2-CD1 3.89Å; I264-I268 HydrophobicContact CG2-CG1 4.38Å; I264-I268 WeakPolarHBondContact O-CG1 3.26Å; I264-I268 PolarHBondContact O-N 3.3Å; W265-I268 HydrophobicContact CD2-CD1 4.39Å; W265-I268 HydrophobicContact CE3-CB 4.31Å; W265-I268 HydrophobicContact CE3-CD1 4.15Å; W265-I268 HydrophobicContact CE3-CG2 4.14Å; W265-I268 HydrophobicContact CZ3-CD1 4.38Å; W265-I268 HydrophobicContact CZ3-CG2 4.07Å; W265-I268 PolarHBondContact O-N 3.5Å; I268-K270 PolarHBondContact O-N 2.97Å; I268-Q271 PolarHBondContact O-N 3.21Å; I268-L272 HydrophobicContact CG2-CD1 3.87Å; I268-L272 HydrophobicContact CG2-CG 4.49Å; I268-L272 WeakPolarHBondContact O-CG 3.46Å; I268-L272 PolarHBondContact O-N 3.24Å
269S60.6Low61.7Low46 Ų4635.3 Ų35.332%0.32217%0.172SC..Hα-helixtrans-60.2-45.2177.8-179.80000111.7W265 S266 N267 Q271 L272 K273W265-S269 WeakPolarHBondContact O-CB 3.44Å; W265-S269 PolarHBondContact O-N 3.49Å; S266-S269 PolarHBondContact O-N 3.44Å; N267-S269 VanDerWaalsContact C-N 3.33Å; S269-Q271 PolarHBondContact O-N 3.1Å; S269-L272 PolarHBondContact O-N 2.92Å; S269-K273 WeakPolarHBondContact O-CB 3.28Å; S269-K273 PolarHBondContact O-N 3Å
270K61.5Low61.2Low64 Ų6436.3 Ų36.328%0.27818%0.18SC..Hα-helixtrans-58.8-45.9174.5-75.4177.6-175-1770112.1S266 N267 I268 K273 R274 N477S266-K270 WeakPolarHBondContact O-CG 3.45Å; S266-K270 PolarHBondContact O-N 3.39Å; N267-K270 PolarHBondContact O-N 2.85Å; I268-K270 PolarHBondContact O-N 2.97Å; K270-K273 PolarHBondContact O-N 3.03Å; K270-R274 PolarHBondContact O-N 3.19Å; K270-N477 PolarHBondContact NZ-OD1 2.67Å
271Q61.1Low61Low14 Ų1437.4 Ų37.47%0.06519%0.191CC..Hα-helixtrans-66.8-41.8179.6-72.8-64.519.100112.3F199 D203 N267 I268 S269 K273 R274 I275F199-Q271 HydrophobicContact CD2-CG 4.45Å; F199-Q271 HydrophobicContact CE2-CG 3.69Å; F199-Q271 HydrophobicContact CZ-CG 4.4Å; D203-Q271 PolarHBondContact OD1-NE2 2.82Å; N267-Q271 PolarHBondContact O-N 3.45Å; I268-Q271 PolarHBondContact O-N 3.21Å; S269-Q271 PolarHBondContact O-N 3.1Å; Q271-K273 VanDerWaalsContact C-N 3.33Å; Q271-K273 PolarHBondContact O-N 3.28Å; Q271-R274 WeakPolarHBondContact O-CB 3.48Å; Q271-R274 PolarHBondContact O-N 2.9Å; Q271-R274 VanDerWaalsContact O-N 3.17Å; Q271-I275 WeakPolarHBondContact O-CG1 3.25Å; Q271-I275 PolarHBondContact O-N 3.31Å
272L60.4Low60.6Low35 Ų3540.1 Ų40.118%0.18320%0.204CC..Hα-helixtrans-60.7-41.9174.2-74.6169.6000111.9L202 I268 S269 R274 I275 Q276 Y385L202-L272 HydrophobicContact CD1-CD1 4.4Å; L202-L272 HydrophobicContact CD1-CD2 4.2Å; L202-L272 HydrophobicContact CD1-CG 4.08Å; L202-L272 HydrophobicContact CD2-CD2 3.76Å; L202-L272 HydrophobicContact CD2-CG 4.49Å; I268-L272 HydrophobicContact CG2-CD1 3.87Å; I268-L272 HydrophobicContact CG2-CG 4.49Å; I268-L272 WeakPolarHBondContact O-CG 3.46Å; I268-L272 PolarHBondContact O-N 3.24Å; S269-L272 PolarHBondContact O-N 2.92Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 2.98Å; L272-I275 PolarHBondContact O-N 3.43Å; L272-Q276 WeakPolarHBondContact O-CB 3.15Å; L272-Q276 PolarHBondContact O-N 2.66Å; L272-Y385 HydrophobicContact CD1-CD2 3.48Å; L272-Y385 VanDerWaalsContact CD1-CD2 3.48Å; L272-Y385 HydrophobicContact CD1-CE2 3.66Å; L272-Y385 HydrophobicContact CD1-CG 4.07Å
273K59Low60.2Low56 Ų5643 Ų4324%0.24322%0.219CC..Hα-helixtrans-62.2-37.5175.6-168173.1-176.91740111.9S269 K270 Q271 Q276 L277S269-K273 WeakPolarHBondContact O-CB 3.28Å; S269-K273 PolarHBondContact O-N 3Å; K270-K273 PolarHBondContact O-N 3.03Å; Q271-K273 VanDerWaalsContact C-N 3.33Å; Q271-K273 PolarHBondContact O-N 3.28Å; K273-Q276 PolarHBondContact O-N 3.25Å; K273-L277 WeakPolarHBondContact O-CB 3.17Å; K273-L277 PolarHBondContact O-N 3.19Å
274R60.8Low59.7Low85 Ų8544.2 Ų44.232%0.32123%0.228SC..Hα-helixtrans-65-45.9173-74.7178176.8175.4-1.3112Y206 K270 Q271 L272 Q276 L277 N278Y206-R274 HydrophobicContact CD2-CB 4.25Å; Y206-R274 HydrophobicContact CE2-CB 3.87Å; K270-R274 PolarHBondContact O-N 3.19Å; Q271-R274 WeakPolarHBondContact O-CB 3.48Å; Q271-R274 PolarHBondContact O-N 2.9Å; Q271-R274 VanDerWaalsContact O-N 3.17Å; L272-R274 VanDerWaalsContact C-N 3.31Å; L272-R274 PolarHBondContact O-N 2.98Å; R274-Q276 VanDerWaalsContact C-N 3.31Å; R274-Q276 PolarHBondContact O-N 3.48Å; R274-L277 PolarHBondContact O-N 2.91Å; R274-N278 PolarHBondContact O-N 3.29Å
275I59.6Low59.4Low22 Ų2246.4 Ų46.411%0.11324%0.244CC..Hα-helixtrans-59.6-44.2176.2-66.6165.8000110.3L202 F205 Y206 L221 Q271 L272 N278 L279L202-I275 HydrophobicContact CD2-CD1 4.41Å; F205-I275 HydrophobicContact CB-CD1 4.45Å; Y206-I275 HydrophobicContact CD2-CG1 4.28Å; L221-I275 HydrophobicContact CD1-CG2 4.5Å; Q271-I275 WeakPolarHBondContact O-CG1 3.25Å; Q271-I275 PolarHBondContact O-N 3.31Å; L272-I275 PolarHBondContact O-N 3.43Å; I275-N278 PolarHBondContact O-N 3.01Å; I275-L279 HydrophobicContact CG2-CD1 3.91Å; I275-L279 HydrophobicContact CG2-CG 4.49Å; I275-L279 WeakPolarHBondContact O-CB 3.01Å; I275-L279 WeakPolarHBondContact O-CG 3.46Å; I275-L279 PolarHBondContact O-N 2.64Å
276Q58.4Low58.9Low60 Ų6048.2 Ų48.228%0.2826%0.261SS..Hα-helixtrans-60.3-47.5176.3-176.4-171.4300112.1L272 K273 R274 N278 L279 S280L272-Q276 WeakPolarHBondContact O-CB 3.15Å; L272-Q276 PolarHBondContact O-N 2.66Å; K273-Q276 PolarHBondContact O-N 3.25Å; R274-Q276 VanDerWaalsContact C-N 3.31Å; R274-Q276 PolarHBondContact O-N 3.48Å; Q276-N278 VanDerWaalsContact C-N 3.33Å; Q276-N278 PolarHBondContact O-N 2.64Å; Q276-L279 PolarHBondContact O-N 3.29Å; Q276-S280 PolarHBondContact O-N 3.4Å
277L58.8Low58.1Low101 Ų10152.7 Ų52.753%0.52928%0.279SS..Hα-helixtrans-60.6-45.1180-154.1100000110.8K273 R274 S280 T281K273-L277 WeakPolarHBondContact O-CB 3.17Å; K273-L277 PolarHBondContact O-N 3.19Å; R274-L277 PolarHBondContact O-N 2.91Å; L277-S280 PolarHBondContact O-N 3.38Å; L277-T281 WeakPolarHBondContact O-CG2 3.32Å; L277-T281 PolarHBondContact O-N 3.49Å; L277-T281 PolarHBondContact O-OG1 3.39Å
278N60.4Low57.5Low49 Ų4955.2 Ų55.226%0.26230%0.296SS..Hα-helixtrans-62.6-46177.7-74.9-2.8000111.9Y206 R274 I275 Q276 S280 T281 Q282Y206-N278 WeakPolarHBondContact CE2-ND2 3.48Å; R274-N278 PolarHBondContact O-N 3.29Å; I275-N278 PolarHBondContact O-N 3.01Å; Q276-N278 VanDerWaalsContact C-N 3.33Å; Q276-N278 PolarHBondContact O-N 2.64Å; N278-S280 VanDerWaalsContact C-N 3.33Å; N278-S280 PolarHBondContact O-N 2.82Å; N278-T281 WeakPolarHBondContact CA-OG1 3.12Å; N278-T281 PolarHBondContact O-N 2.83Å; N278-T281 PolarHBondContact O-OG1 3.22Å; N278-Q282 PolarHBondContact O-N 3.19Å; N278-Q282 VanDerWaalsContact O-N 3.12Å
279L58.7Low56.9Low31 Ų3159.6 Ų59.616%0.16232%0.319CS..Hα-helixtrans-60.3-41.5175.8-75.7168.7000111.8V214 I275 Q276 Q282 L283V214-L279 HydrophobicContact CG1-CD2 3.88Å; V214-L279 HydrophobicContact CG2-CD2 4.21Å; I275-L279 HydrophobicContact CG2-CD1 3.91Å; I275-L279 HydrophobicContact CG2-CG 4.49Å; I275-L279 WeakPolarHBondContact O-CB 3.01Å; I275-L279 WeakPolarHBondContact O-CG 3.46Å; I275-L279 PolarHBondContact O-N 2.64Å; Q276-L279 PolarHBondContact O-N 3.29Å; L279-Q282 PolarHBondContact O-N 2.91Å; L279-L283 WeakPolarHBondContact O-CB 3.32Å; L279-L283 PolarHBondContact O-N 2.84Å
280S54.7Low56.1Low33 Ų3361.8 Ų61.823%0.23133%0.326CS..Hα-helixtrans-63.3-47.1176.3-169.20000111.5Q276 L277 N278 Q282 L283 D284Q276-S280 PolarHBondContact O-N 3.4Å; L277-S280 PolarHBondContact O-N 3.38Å; N278-S280 VanDerWaalsContact C-N 3.33Å; N278-S280 PolarHBondContact O-N 2.82Å; S280-Q282 VanDerWaalsContact C-N 3.25Å; S280-Q282 PolarHBondContact O-N 2.88Å; S280-L283 PolarHBondContact O-N 3.46Å; S280-D284 PolarHBondContact O-N 3.29Å
281T61Low55.1Low80 Ų8065.5 Ų65.549%0.49135%0.345SS..Hα-helixtrans-60.2-35.7-179.854.50000112.7L277 N278 S285L277-T281 WeakPolarHBondContact O-CG2 3.32Å; L277-T281 PolarHBondContact O-N 3.49Å; L277-T281 PolarHBondContact O-OG1 3.39Å; N278-T281 WeakPolarHBondContact CA-OG1 3.12Å; N278-T281 PolarHBondContact O-N 2.83Å; N278-T281 PolarHBondContact O-OG1 3.22Å; T281-S285 PolarHBondContact O-N 3.17Å
282Q58.3Low54.1Low59 Ų5973.3 Ų73.328%0.27637%0.374SS..Hα-helixtrans-76.1-36.6176.7-73.5-174.1-6.400113.2N278 L279 S280 D284 S285 A286N278-Q282 PolarHBondContact O-N 3.19Å; N278-Q282 VanDerWaalsContact O-N 3.12Å; L279-Q282 PolarHBondContact O-N 2.91Å; S280-Q282 VanDerWaalsContact C-N 3.25Å; S280-Q282 PolarHBondContact O-N 2.88Å; Q282-D284 PolarHBondContact O-N 3.37Å; Q282-S285 WeakPolarHBondContact CA-OG 3.09Å; Q282-S285 PolarHBondContact O-N 3.28Å; Q282-S285 PolarHBondContact O-OG 3.32Å; Q282-A286 WeakPolarHBondContact O-CB 3.15Å; Q282-A286 PolarHBondContact O-N 3.49Å
283L54.7Low53.3Low64 Ų6478.6 Ų78.634%0.33540%0.397SS..Hα-helixtrans-62.9-36.2175.1-152.779.7000111L279 S280 K287 I372L279-L283 WeakPolarHBondContact O-CB 3.32Å; L279-L283 PolarHBondContact O-N 2.84Å; S280-L283 PolarHBondContact O-N 3.46Å; L283-K287 WeakPolarHBondContact O-CG 3.3Å; L283-K287 PolarHBondContact O-N 2.91Å; L283-I372 HydrophobicContact CD1-CD1 3.71Å; L283-I372 HydrophobicContact CD2-CD1 3.65Å; L283-I372 HydrophobicContact CG-CD1 3.83Å
284D55.3Low52.6Low73 Ų7379.8 Ų79.839%0.3941%0.405SS..Hα-helixtrans-72.4-39.2175.2-67.3-29.7000111.7S280 Q282 K287 T288S280-D284 PolarHBondContact O-N 3.29Å; Q282-D284 PolarHBondContact O-N 3.37Å; D284-K287 PolarHBondContact O-N 3.02Å; D284-T288 PolarHBondContact O-N 3.22Å; D284-T288 VanDerWaalsContact O-N 3.13Å
285S56.8Low51.7Low53 Ų5382.7 Ų82.737%0.37143%0.427SS..Hα-helixtrans-65.3-42.2174.371.30000112.5T281 Q282 K287 T288 D289T281-S285 PolarHBondContact O-N 3.17Å; Q282-S285 WeakPolarHBondContact CA-OG 3.09Å; Q282-S285 PolarHBondContact O-N 3.28Å; Q282-S285 PolarHBondContact O-OG 3.32Å; S285-K287 VanDerWaalsContact C-N 3.29Å; S285-K287 PolarHBondContact O-N 3.07Å; S285-T288 WeakPolarHBondContact CA-OG1 3.44Å; S285-T288 PolarHBondContact O-N 2.9Å; S285-T288 PolarHBondContact O-OG1 3.08Å; S285-D289 PolarHBondContact O-N 3.35Å
286A52.2Low50.7Low48 Ų4888.4 Ų88.440%0.39746%0.456SS..Hα-helixtrans-62.1-36.4176.400000112.1Q282 T288 I290Q282-A286 WeakPolarHBondContact O-CB 3.15Å; Q282-A286 PolarHBondContact O-N 3.49Å; A286-T288 VanDerWaalsContact C-N 3.35Å; A286-I290 WeakPolarHBondContact O-CD1 3.46Å; A286-I290 VanDerWaalsContact O-CG1 3.3Å; A286-I290 WeakPolarHBondContact O-CG1 3.5Å; A286-I290 PolarHBondContact O-N 2.97Å
287K45.7Very low49.5Very low100 Ų10089.7 Ų89.744%0.43547%0.472SS..Hα-helixtrans-64.1-37.9171.5-76.2172.4-174.7167.40112.1L283 D284 S285 H291L283-K287 WeakPolarHBondContact O-CG 3.3Å; L283-K287 PolarHBondContact O-N 2.91Å; D284-K287 PolarHBondContact O-N 3.02Å; S285-K287 VanDerWaalsContact C-N 3.29Å; S285-K287 PolarHBondContact O-N 3.07Å; K287-H291 PolarHBondContact O-N 3.15Å
288T49.2Very low48.3Very low87 Ų8792.1 Ų92.153%0.53449%0.486SS..Hα-helixtrans-70.8-36.8178.954.60000113.4D284 S285 A286 H291 R292D284-T288 PolarHBondContact O-N 3.22Å; D284-T288 VanDerWaalsContact O-N 3.13Å; S285-T288 WeakPolarHBondContact CA-OG1 3.44Å; S285-T288 PolarHBondContact O-N 2.9Å; S285-T288 PolarHBondContact O-OG1 3.08Å; A286-T288 VanDerWaalsContact C-N 3.35Å; T288-H291 PolarHBondContact O-N 3.08Å; T288-R292 PolarHBondContact O-N 3.05Å; T288-R292 VanDerWaalsContact O-N 3.16Å
289D47.3Very low46.8Very low91 Ų9194.6 Ų94.649%0.48751%0.507SS..Hα-helixtrans-69.8-38.9179.6-74.9-27.5000112S285 H291 R292 E293S285-D289 PolarHBondContact O-N 3.35Å; D289-H291 VanDerWaalsContact C-N 3.26Å; D289-H291 PolarHBondContact O-N 3.14Å; D289-R292 WeakPolarHBondContact O-CB 3.45Å; D289-R292 PolarHBondContact O-N 2.83Å; D289-E293 PolarHBondContact O-N 3.25Å
290I44.7Very low45.4Very low92 Ų9299.1 Ų99.147%0.47254%0.541SS..Hα-helixtrans-61.3-37173.6-65.1167000110.9A286 R292 I294A286-I290 WeakPolarHBondContact O-CD1 3.46Å; A286-I290 VanDerWaalsContact O-CG1 3.3Å; A286-I290 WeakPolarHBondContact O-CG1 3.5Å; A286-I290 PolarHBondContact O-N 2.97Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.01Å; I290-I294 HydrophobicContact CG2-CD1 3.96Å; I290-I294 WeakPolarHBondContact O-CD1 3.4Å; I290-I294 VanDerWaalsContact O-CG1 3.3Å; I290-I294 WeakPolarHBondContact O-CG1 3.45Å; I290-I294 PolarHBondContact O-N 3.39Å
291H40.2Very low44.1Very low143 Ų143102.4 Ų102.466%0.66256%0.564SS**Hα-helixtrans-68-28.2174.8-95.3-58.9000113.4K287 T288 D289K287-H291 PolarHBondContact O-N 3.15Å; T288-H291 PolarHBondContact O-N 3.08Å; D289-H291 VanDerWaalsContact C-N 3.26Å; D289-H291 PolarHBondContact O-N 3.14Å
292R41Very low42.6Very low178 Ų178105.6 Ų105.667%0.67258%0.578SS**Hα-helixtrans-79.5-39.8177.5-118.8179.5-173.4161.92112.6T288 D289 I290 L295 L296T288-R292 PolarHBondContact O-N 3.05Å; T288-R292 VanDerWaalsContact O-N 3.16Å; D289-R292 WeakPolarHBondContact O-CB 3.45Å; D289-R292 PolarHBondContact O-N 2.83Å; I290-R292 VanDerWaalsContact C-N 3.3Å; I290-R292 PolarHBondContact O-N 3.01Å; R292-L295 PolarHBondContact O-N 2.88Å; R292-L296 PolarHBondContact O-N 3.34Å
293E41.9Very low41.1Very low145 Ų145111.3 Ų111.368%0.67861%0.61SS**Hα-helixtrans-66.7-37.6178.7-80.9-171.3149.800112.3D289 L295 L296 S297D289-E293 PolarHBondContact O-N 3.25Å; E293-L295 PolarHBondContact O-N 2.82Å; E293-L296 PolarHBondContact O-N 3.41Å; E293-L296 VanDerWaalsContact O-N 3.14Å; E293-S297 PolarHBondContact O-N 2.95Å
294I45.4Very low39.7Very low81 Ų81116.8 Ų116.842%0.41564%0.638SS.*Hα-helixtrans-64.2-24.7176.9-65.5167.8000111.8I290 P367I290-I294 HydrophobicContact CG2-CD1 3.96Å; I290-I294 WeakPolarHBondContact O-CD1 3.4Å; I290-I294 VanDerWaalsContact O-CG1 3.3Å; I290-I294 WeakPolarHBondContact O-CG1 3.45Å; I290-I294 PolarHBondContact O-N 3.39Å; I294-P367 HydrophobicContact CD1-CB 3.89Å; I294-P367 HydrophobicContact CD1-CG 4.09Å
295L41.6Very low38.3Very low147 Ų147116.6 Ų116.677%0.7765%0.654SS**Hα-helixtrans-84.5-14.7177.7-84.6161.7000114.2R292 E293R292-L295 PolarHBondContact O-N 2.88Å; E293-L295 PolarHBondContact O-N 2.82Å
296L39.4Very low36.8Very low141 Ų141123 Ų12374%0.73868%0.678SS**Hα-helixtrans-109.9-6.5-175.2-73.5170.1000114.1R292 E293 D298R292-L296 PolarHBondContact O-N 3.34Å; E293-L296 PolarHBondContact O-N 3.41Å; E293-L296 VanDerWaalsContact O-N 3.14Å; L296-D298 VanDerWaalsContact C-N 3.35Å; L296-D298 PolarHBondContact O-N 2.69Å
297S32.5Very low35.5Very low88 Ų88129.1 Ų129.162%0.61570%0.698SS**  trans-86.18-178.761.20000115.8E293 S299E293-S297 PolarHBondContact O-N 2.95Å; S297-S299 PolarHBondContact O-N 3.13Å
298D32.4Very low34.5Very low152 Ų152134 Ų13481%0.81372%0.72SS**SBendtrans-97.254.2172.4-82.3-8.3000111.6L296L296-D298 VanDerWaalsContact C-N 3.35Å; L296-D298 PolarHBondContact O-N 2.69Å
299S29.7Very low33.3Very low101 Ų101138.7 Ų138.771%0.70673%0.733SS**SBendtrans178.295.4155.142.70000111.7S297S297-S299 PolarHBondContact O-N 3.13Å
300S29.3Very low32.3Very low125 Ų125139 Ų13987%0.87474%0.743SS**  trans168.598.8137.541.20000109
301S27.9Very low31.4Very low103 Ų103139.7 Ų139.772%0.7276%0.755SS**  trans-72.6147.116449.90000110.3
302D28.5Very low30.8Very low147 Ų147142.2 Ų142.279%0.78677%0.765SS**  trans77.495.8158.8-55.4-28.6000118.2
303L27.3Very low30Very low179 Ų179139.7 Ų139.794%0.93777%0.769SS**  -161.4130.1121.6-104.2145.9000111.7
304L26.3Very low29.2Very low178 Ų178138.7 Ų138.793%0.93277%0.768SS**  trans-57.8143.3179.9-71.6148.1000113.8
305G25Very low28.4Very low70 Ų70139.6 Ų139.672%0.72278%0.779SS**  trans155.5100.8154.800000116.2
306E26.1Very low27.6Very low187 Ų187136.8 Ų136.887%0.87477%0.772SS**  trans76.894.4159.6-59.7-167.7161.200119.2F308E306-F308 PolarHBondContact O-N 2.76Å; E306-F308 VanDerWaalsContact O-N 3.13Å
307Q24Very low27Very low176 Ų176136.1 Ų136.182%0.82277%0.774SS**  trans-58.399.8168.6-67.4173.3-14.600112.4K309Q307-K309 PolarHBondContact O-N 3.49Å; Q307-K309 VanDerWaalsContact O-N 3.14Å
308F24.5Very low26.8Very low203 Ų203137.8 Ų137.889%0.8978%0.78SS**  trans-70.599.8151.3-86-85000108.3E306 S310E306-F308 PolarHBondContact O-N 2.76Å; E306-F308 VanDerWaalsContact O-N 3.13Å; F308-S310 PolarHBondContact O-N 3.28Å
309K25Very low26.5Very low185 Ų185137.1 Ų137.180%0.80477%0.77SS**  trans-64.694.3170.8-78.7-179.8176176.30109.1Q307 S311Q307-K309 PolarHBondContact O-N 3.49Å; Q307-K309 VanDerWaalsContact O-N 3.14Å; K309-S311 PolarHBondContact O-N 3.14Å
310S25.9Very low26.3Very low99 Ų99139 Ų13969%0.69277%0.772SS**  trans-64.6117.9164.955.30000109F308 K312F308-S310 PolarHBondContact O-N 3.28Å; S310-K312 PolarHBondContact O-N 2.9Å
311S25.9Very low26.2Very low106 Ų106137.4 Ų137.474%0.74175%0.753SS**  trans-69.297.4171.4500000108.6K309 T313K309-S311 PolarHBondContact O-N 3.14Å; S311-T313 VanDerWaalsContact C-N 3.28Å; S311-T313 PolarHBondContact O-N 2.96Å
312K26.2Very low26.2Very low196 Ų196137.2 Ų137.285%0.85275%0.752SS**  trans-64.785.1167-73.7-176.4175.1-174.40109.8S310S310-K312 PolarHBondContact O-N 2.9Å
313T25.1Very low26.2Very low124 Ų124136.9 Ų136.976%0.76174%0.744SS**  trans-93.3101.915836.40000107.7S311 P315S311-T313 VanDerWaalsContact C-N 3.28Å; S311-T313 PolarHBondContact O-N 2.96Å; T313-P315 WeakPolarHBondContact O-CD 3.28Å
314N25.6Very low26.1Very low125 Ų125134.5 Ų134.567%0.66873%0.726SS**  trans-57.6118.4174-109.7-13.8000109.5S316N314-S316 PolarHBondContact O-N 3.11Å; N314-S316 VanDerWaalsContact O-N 3.15Å
315P27.9Very low26.1Very low99 Ų99133.8 Ų133.864%0.64372%0.724SS**G310 helixtrans-76.15.4-175.928.8-32.5000114.2T313T313-P315 WeakPolarHBondContact O-CD 3.28Å
316S25.8Very low26.1Very low89 Ų89134.4 Ų134.462%0.62272%0.717SS**G310 helixtrans-78.3-17.2179.855.10000114.7N314N314-S316 PolarHBondContact O-N 3.11Å; N314-S316 VanDerWaalsContact O-N 3.15Å
317T26.9Very low26.1Very low126 Ų126132.1 Ų132.177%0.77370%0.704SS**G310 helixtrans-97.613.2-17649.60000115.2
318V27.5Very low26.3Very low123 Ų123130.6 Ų130.675%0.74570%0.695SS**G310 helixtrans-107.5-0.2176.4-1740000112.9
319F25.8Very low26.4Very low138 Ų138130.6 Ų130.661%0.60570%0.695SS**  trans-109.782.6-178.7-69.9-80.9000111.6
320D25.3Very low26.4Very low141 Ų141124.9 Ų124.975%0.75468%0.678SS**  trans-90.7102.1163.5-159-20.5000108S322D320-S322 PolarHBondContact OD1-OG 2.69Å
321L27.8Very low26.6Very low91 Ų91125.8 Ų125.848%0.47668%0.675SS.*  trans-91.511.9-168.8-82.9163.7000114F323L321-F323 PolarHBondContact O-N 3.28Å; L321-F323 VanDerWaalsContact O-N 3.1Å
322S27.2Very low27.4Very low100 Ų100129.7 Ų129.770%0.69968%0.681SS**THydrogen-bonded Turntrans-74.73.8-174.953.60000115.8D320D320-S322 PolarHBondContact OD1-OG 2.69Å
323F29.4Very low28Very low140 Ų140124.6 Ų124.661%0.61467%0.671SS**THydrogen-bonded Turntrans-93.1-20.8-176-166.8-100.7000115L321L321-F323 PolarHBondContact O-N 3.28Å; L321-F323 VanDerWaalsContact O-N 3.1Å
324F25.5Very low28.4Very low128 Ų128127.9 Ų127.956%0.56167%0.671SS**SBendtrans-94.9-13.8-167-77.9-75.9000116.5S326F324-S326 PolarHBondContact O-N 2.95Å; F324-S326 VanDerWaalsContact O-N 3.13Å
325D26.3Very low28.6Very low164 Ų164129 Ų12988%0.87767%0.672SS**SBendtrans-81.914.1-175.3-72.4-18.7000114.7
326S24.8Very low28.7Very low83 Ų83131.8 Ų131.858%0.5867%0.67SS**  trans-130.552.1-171.5620000114.4F324F324-S326 PolarHBondContact O-N 2.95Å; F324-S326 VanDerWaalsContact O-N 3.13Å
327F26.7Very low28.9Very low138 Ų138133.8 Ų133.861%0.60568%0.679SS**  trans-137.2102.5170.1-77.1-66.2000114.8
328F26.7Very low29.1Very low144 Ų144134.1 Ų134.163%0.63268%0.681SS**  trans63.2105150.8-58.7-62.7000119.2Y336F328-Y336 HydrophobicContact CB-CD1 4.35Å; F328-Y336 HydrophobicContact CB-CE1 4.19Å; F328-Y336 AromaticContact CD1-CD1 3.55Å; F328-Y336 HydrophobicContact CD1-CD1 3.55Å; F328-Y336 HydrophobicContact CD1-CE1 4.13Å; F328-Y336 HydrophobicContact CD1-CG 4.39Å; F328-Y336 HydrophobicContact CE1-CD1 4.14Å; F328-Y336 HydrophobicContact CG-CD1 4.16Å; F328-Y336 HydrophobicContact CG-CE1 4.27Å
329F26.4Very low29.1Very low203 Ų203134.4 Ų134.489%0.8968%0.678SS**  trans-96.7138.7153.9-126.5-90.8000109.9
330C25.7Very low29.3Very low66 Ų66133.4 Ų133.445%0.44668%0.683SS.*  trans-94114.5177.4-168.60000107.9
331D30.8Very low29.5Very low118 Ų118136.3 Ų136.363%0.63168%0.684SS**  trans-90.8159.9174.8-144.1-12.3000110.8S333 Y334D331-S333 PolarHBondContact O-N 3.26Å; D331-Y334 PolarHBondContact O-N 3.2Å
332Q41.4Very low29.5Very low187 Ų187141 Ų14187%0.87470%0.703SS**THydrogen-bonded Turntrans-60.7-6.1-165.4-69.8-175.7-11.200115.9
333S39Very low29.4Very low90 Ų90145.3 Ų145.363%0.62971%0.712SS**THydrogen-bonded Turntrans-99.87.9172.459.60000114.6D331 E335D331-S333 PolarHBondContact O-N 3.26Å; S333-E335 PolarHBondContact O-N 3.02Å
334Y33.6Very low29.3Very low193 Ų193144 Ų14476%0.75772%0.72SS**  trans54.929.9177.6-64-80.5000115.1D331D331-Y334 PolarHBondContact O-N 3.2Å
335E29.6Very low29.2Very low148 Ų148144.6 Ų144.669%0.69274%0.738SS**  trans-116.2136.9171.2-74.5-170.7164.100111.3S333S333-E335 PolarHBondContact O-N 3.02Å
336Y31.5Very low29.2Very low157 Ų157141.8 Ų141.862%0.61673%0.732SS**  trans-91.7113.5-174.2-68.4-83.4000111.4F328F328-Y336 HydrophobicContact CB-CD1 4.35Å; F328-Y336 HydrophobicContact CB-CE1 4.19Å; F328-Y336 AromaticContact CD1-CD1 3.55Å; F328-Y336 HydrophobicContact CD1-CD1 3.55Å; F328-Y336 HydrophobicContact CD1-CE1 4.13Å; F328-Y336 HydrophobicContact CD1-CG 4.39Å; F328-Y336 HydrophobicContact CE1-CD1 4.14Å; F328-Y336 HydrophobicContact CG-CD1 4.16Å; F328-Y336 HydrophobicContact CG-CE1 4.27Å
337T29.6Very low29.3Very low132 Ų132143.8 Ų143.881%0.8174%0.743SS**  trans-123.2141.1172.953.60000113.2
338V30.1Very low29.2Very low132 Ų132145.5 Ų145.580%0.876%0.757SS**  trans-80.5112.7-176.3179.70000110.1T340V338-T340 HydrophobicContact CG1-CG2 4.34Å
339D28.3Very low29.1Very low129 Ų129146.8 Ų146.869%0.6977%0.765SS**  trans-100.4124.3177.9-160.2-0.7000112.1
340T30.2Very low29.1Very low117 Ų117142.6 Ų142.672%0.71876%0.761SS**  trans-10927.6-172.760.50000113.2V338V338-T340 HydrophobicContact CG1-CG2 4.34Å
341R30.1Very low29Very low203 Ų203147.7 Ų147.777%0.76678%0.778SS**  trans-117.346.3-171.8-61.1-170.6-162.3171.68.9115.6
342H26.6Very low28.8Very low190 Ų190151.5 Ų151.588%0.8879%0.789SS**  trans-142.270163.5-79.3-50.7000112.8
343H26.1Very low28Very low189 Ų189148.6 Ų148.688%0.87579%0.786SS**  trans-111.882.7161.5-74.2-50.7000109.7
344S26.8Very low27.3Very low113 Ų113154.4 Ų154.479%0.7980%0.8SS**  trans172.494.8150.255.30000111.2
345C23.9Very low26.9Very low140 Ų140151 Ų15195%0.94680%0.804SS**  trans-145.3111.8152.2-104.60000108.6
346S24.8Very low26.6Very low106 Ų106148.2 Ų148.274%0.74181%0.807SS**PPolyproline II helixtrans-70.9152.5-178.122.40000112.5L348S346-L348 PolarHBondContact O-N 3.08Å
347P28.1Very low26.3Very low125 Ų125148.1 Ų148.181%0.81282%0.816SS**PPolyproline II helixtrans-75.6123.4-169.230.2-33000111.7E349P347-E349 PolarHBondContact O-N 3.09Å
348L24.6Very low26.1Very low173 Ų173150.7 Ų150.791%0.90682%0.816SS**PPolyproline II helixtrans-71.5121.5175.3-10782.5000111S346 S350S346-L348 PolarHBondContact O-N 3.08Å; L348-S350 PolarHBondContact O-N 2.97Å
349E24.7Very low25.9Very low172 Ų172153.9 Ų153.980%0.80482%0.819SS**PPolyproline II helixtrans-65.4123.3170.3-71.7-177.9147.700111.5P347 H351P347-E349 PolarHBondContact O-N 3.09Å; E349-H351 PolarHBondContact O-N 3.15Å
350S25.7Very low26.3Very low114 Ų114153.3 Ų153.380%0.79782%0.822SS**  trans-76.5109174.659.20000111.2L348 K352L348-S350 PolarHBondContact O-N 2.97Å; S350-K352 PolarHBondContact O-N 3.33Å
351H24Very low26Very low173 Ų173152.7 Ų152.780%0.80182%0.823SS**  trans-74.5115.5171-83.7-68.2000111.6E349E349-H351 PolarHBondContact O-N 3.15Å
352K25.3Very low25.8Very low198 Ų198150.1 Ų150.186%0.86182%0.824SS**  trans-68.1126.2168.8-87.5179.5175.2175.10110.9S350S350-K352 PolarHBondContact O-N 3.33Å
353P25.3Very low25.9Very low126 Ų126149.5 Ų149.582%0.81883%0.826SS**  trans-83.4141.3178.929.5-26.3000112.2S355P353-S355 PolarHBondContact O-N 2.96Å
354K25.2Very low25.9Very low212 Ų212145.3 Ų145.392%0.92282%0.818SS**  trans-78.5108.5-176.9-68.9169.6175.9171.80110.8
355S24.8Very low25.9Very low121 Ų121146.4 Ų146.485%0.84682%0.82SS**  trans-92.1120.2164.457.40000110.3P353P353-S355 PolarHBondContact O-N 2.96Å
356A23.4Very low26.1Very low90 Ų90147.2 Ų147.274%0.74481%0.813SS**  trans-80.1144.317600000111.8
357L25Very low26.2Very low156 Ų156145.7 Ų145.782%0.81780%0.801SS**  trans114.5102.5150.8-63.8166.9000118.2
358K24.2Very low26.1Very low186 Ų186148.9 Ų148.981%0.80981%0.805SS**  trans92.997137-76.2179.9175.8174.50120.4
359K26.8Very low26.3Very low198 Ų198149.5 Ų149.586%0.86180%0.8SS**  trans90.6122.2136.7-71-169.8174.5-174.50118.2
360P36.3Very low26.5Very low117 Ų117147.1 Ų147.176%0.7680%0.797SS**  trans-99.8172.8-168.941.6-33.8000113.1
361S24.7Very low26.6Very low105 Ų105148.6 Ų148.673%0.73480%0.796SS**  trans77.8106.7-175.774.30000112.7
362D26.2Very low27.1Very low148 Ų148143.7 Ų143.779%0.79178%0.775SS**  -140.6147.552.5-73.2-44.3000114.8S364D362-S364 PolarHBondContact O-N 3.39Å
363I28.8Very low27.8Very low177 Ų177137 Ų13791%0.90875%0.753SS**  trans-63.799175.1-62.6159.9000107.7
364S25.4Very low28.6Very low102 Ų102140.6 Ų140.671%0.71375%0.75SS**  trans-118.7123.6161.150.70000108.6D362 I366D362-S364 PolarHBondContact O-N 3.39Å; S364-I366 PolarHBondContact O-N 3.46Å
365T27.6Very low29.4Very low135 Ų135135 Ų13583%0.82873%0.728SS**  trans-40.6114.3178.629.80000112.7P367T365-P367 WeakPolarHBondContact O-CD 3.45Å
366I27.4Very low30.1Very low158 Ų158130 Ų13081%0.8169%0.694SS**  trans-60.4117.6169-60.8169.8000107S364 E368S364-I366 PolarHBondContact O-N 3.46Å; I366-E368 PolarHBondContact O-N 2.86Å
367P27.4Very low30.7Very low74 Ų74128.8 Ų128.848%0.48167%0.673SS.*  trans-68.3131.2176.928-30.6000108.3I294 T365 K369I294-P367 HydrophobicContact CD1-CB 3.89Å; I294-P367 HydrophobicContact CD1-CG 4.09Å; T365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-K369 PolarHBondContact O-N 3.29Å
368E26.2Very low31.4Very low191 Ų191125.5 Ų125.589%0.89366%0.655SS**  trans-54.8102175.8-73.8177.6155.600109.1I366 V370I366-E368 PolarHBondContact O-N 2.86Å; E368-V370 PolarHBondContact O-N 3.38Å
369K27.3Very low32.3Very low186 Ų186120 Ų12081%0.80963%0.634SS**  trans-57.8112.3166.5-81.1-177.1173.7-1760107.3P367 N371P367-K369 PolarHBondContact O-N 3.29Å; K369-N371 PolarHBondContact O-N 3.03Å
370V28.4Very low32.9Very low122 Ų122114.1 Ų114.174%0.73961%0.611SS**  trans-62.190164.7179.90000106.9E368 I372E368-V370 PolarHBondContact O-N 3.38Å; V370-I372 VanDerWaalsContact C-N 3.34Å; V370-I372 PolarHBondContact O-N 3.47Å
371N29.8Very low33Very low146 Ų146112.4 Ų112.478%0.78159%0.59SS**  trans-71.295.2170.3-99.4-7.9000107K369 S373K369-N371 PolarHBondContact O-N 3.03Å; N371-S373 PolarHBondContact O-N 2.98Å; N371-S373 VanDerWaalsContact O-N 3.13Å
372I33.8Very low33.7Very low69 Ų69113 Ų11335%0.35458%0.581SS.*  trans-56.2116.1156.7-60.5172.8000104.8L283 V370 R374 A376L283-I372 HydrophobicContact CD1-CD1 3.71Å; L283-I372 HydrophobicContact CD2-CD1 3.65Å; L283-I372 HydrophobicContact CG-CD1 3.83Å; V370-I372 VanDerWaalsContact C-N 3.34Å; V370-I372 PolarHBondContact O-N 3.47Å; I372-R374 PolarHBondContact O-N 3.18Å; I372-A376 HydrophobicContact CG2-CB 3.97Å
373S40.1Very low34.3Very low57 Ų57109.7 Ų109.740%0.39957%0.568SS.*  trans-57.4136-176.461.20000108.6N371 E375 A376N371-S373 PolarHBondContact O-N 2.98Å; N371-S373 VanDerWaalsContact O-N 3.13Å; S373-E375 PolarHBondContact O-N 2.69Å; S373-A376 WeakPolarHBondContact O-CB 3.43Å; S373-A376 PolarHBondContact O-N 3.4Å
374R41Very low34.9Very low202 Ų202102.7 Ų102.776%0.76253%0.533SS*.Hα-helixtrans-47.7-30.4177.6-136.6173.1-174.6166.6-1.6111.9I372 E377 I378I372-R374 PolarHBondContact O-N 3.18Å; R374-E377 PolarHBondContact O-N 3.37Å; R374-I378 WeakPolarHBondContact O-CD1 3.41Å; R374-I378 WeakPolarHBondContact O-CG1 3.49Å; R374-I378 PolarHBondContact O-N 2.93Å
375E43.1Very low36.1Very low95 Ų95100.4 Ų100.444%0.44451%0.509SS..Hα-helixtrans-63.6-37.1174.9-66.4159.4-177.900114S373 E377 I378 I379S373-E375 PolarHBondContact O-N 2.69Å; E375-E377 VanDerWaalsContact C-N 3.33Å; E375-I378 PolarHBondContact O-N 3.1Å; E375-I379 WeakPolarHBondContact O-CB 3.31Å; E375-I379 WeakPolarHBondContact O-CD1 3.41Å; E375-I379 VanDerWaalsContact O-CG1 3.23Å; E375-I379 WeakPolarHBondContact O-CG1 3.11Å; E375-I379 PolarHBondContact O-N 3.42Å
376A40.1Very low37.2Very low16 Ų1697 Ų9713%0.13249%0.488CS..Hα-helixtrans-68.8-34.9178.100000112.4I372 S373I372-A376 HydrophobicContact CG2-CB 3.97Å; S373-A376 WeakPolarHBondContact O-CB 3.43Å; S373-A376 PolarHBondContact O-N 3.4Å
377E35.9Very low38.5Very low65 Ų6589.9 Ų89.930%0.30445%0.452SS..Hα-helixtrans-65.4-55.5166.8-82.1-177.5153.300109.6R374 E375 I379 L380 W381R374-E377 PolarHBondContact O-N 3.37Å; E375-E377 VanDerWaalsContact C-N 3.33Å; E377-I379 VanDerWaalsContact C-N 3.28Å; E377-I379 PolarHBondContact O-N 3.05Å; E377-I379 VanDerWaalsContact O-N 3.16Å; E377-L380 CarbonylContact O-C 3.51Å; E377-L380 WeakPolarHBondContact O-CA 3.41Å; E377-L380 WeakPolarHBondContact O-CB 3.48Å; E377-L380 PolarHBondContact O-N 2.87Å; E377-W381 VanDerWaalsContact C-CD1 3.48Å; E377-W381 PolarHBondContact O-N 3.26Å
378I39.3Very low40.1Very low87 Ų8788.4 Ų88.445%0.44644%0.44SS..Hα-helixtrans-52.9-43.5-176.1-67.6160.7000112.4R374 E375 L380 W381 E382R374-I378 WeakPolarHBondContact O-CD1 3.41Å; R374-I378 WeakPolarHBondContact O-CG1 3.49Å; R374-I378 PolarHBondContact O-N 2.93Å; E375-I378 PolarHBondContact O-N 3.1Å; I378-L380 VanDerWaalsContact C-N 3.29Å; I378-L380 PolarHBondContact O-N 2.78Å; I378-W381 CarbonylContact O-C 3.59Å; I378-W381 PolarHBondContact O-N 2.87Å; I378-W381 VanDerWaalsContact O-N 3.08Å; I378-E382 HydrophobicContact CG2-CG 4.41Å; I378-E382 PolarHBondContact O-N 3.49Å
379I43.7Very low41.9Very low71 Ų7181.4 Ų81.436%0.36441%0.406SS..Hα-helixtrans-66.8-28178.7-64.7163.7000112.8R222 E375 E377R222-I379 HydrophobicContact CG-CG2 3.84Å; E375-I379 WeakPolarHBondContact O-CB 3.31Å; E375-I379 WeakPolarHBondContact O-CD1 3.41Å; E375-I379 VanDerWaalsContact O-CG1 3.23Å; E375-I379 WeakPolarHBondContact O-CG1 3.11Å; E375-I379 PolarHBondContact O-N 3.42Å; E377-I379 VanDerWaalsContact C-N 3.28Å; E377-I379 PolarHBondContact O-N 3.05Å; E377-I379 VanDerWaalsContact O-N 3.16Å
380L38.5Very low43.7Very low74 Ų7474.1 Ų74.139%0.38738%0.379SS..Hα-helixtrans-82.7-21.3173.3-76.3167.2000112.6E377 I378E377-L380 CarbonylContact O-C 3.51Å; E377-L380 WeakPolarHBondContact O-CA 3.41Å; E377-L380 WeakPolarHBondContact O-CB 3.48Å; E377-L380 PolarHBondContact O-N 2.87Å; I378-L380 VanDerWaalsContact C-N 3.29Å; I378-L380 PolarHBondContact O-N 2.78Å
381W37.6Very low45.4Very low81 Ų8168.3 Ų68.331%0.30734%0.344SS..Hα-helixtrans-94.2-22.3-179-74.1104.7000113.8E377 I378 P383E377-W381 VanDerWaalsContact C-CD1 3.48Å; E377-W381 PolarHBondContact O-N 3.26Å; I378-W381 CarbonylContact O-C 3.59Å; I378-W381 PolarHBondContact O-N 2.87Å; I378-W381 VanDerWaalsContact O-N 3.08Å; W381-P383 WeakPolarHBondContact O-CD 3.47Å
382E40.8Very low47.1Very low116 Ų11661.6 Ų61.654%0.54231%0.308SS..SBendtrans-62.5125.2175.1-83.4-175164.600109.8I378 V384I378-E382 HydrophobicContact CG2-CG 4.41Å; I378-E382 PolarHBondContact O-N 3.49Å; E382-V384 HydrophobicContact CB-CG2 3.69Å; E382-V384 PolarHBondContact O-N 3.32Å
383P38.4Very low48.8Very low80 Ų8061.8 Ų61.852%0.51931%0.306SS..  trans-76.865.8179.532.3-33.6000109.3W381 Y385 T386W381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-Y385 PolarHBondContact O-N 2.92Å; P383-T386 HydrophobicContact CB-CG2 4.39Å; P383-T386 PolarHBondContact O-N 3.43Å; P383-T386 PolarHBondContact O-OG1 2.92Å
384V41.9Very low50.1Low30 Ų3060.7 Ų60.718%0.18230%0.298CS..THydrogen-bonded Turntrans-64.6-1.8-171.3176.70000113.6S225 H229 E382S225-V384 WeakPolarHBondContact OG-CG1 3.37Å; H229-V384 HydrophobicContact CB-CG1 3.79Å; H229-V384 WeakPolarHBondContact ND1-CG1 3.31Å; E382-V384 HydrophobicContact CB-CG2 3.69Å; E382-V384 PolarHBondContact O-N 3.32Å
385Y49.5Very low51.6Low53 Ų5351.6 Ų51.621%0.20826%0.264CS..THydrogen-bonded Turntrans-124.915.9-173.1-58.8-72.5000115.4S225 T228 W265 L272 P383 I387S225-Y385 WeakPolarHBondContact CA-OH 3.49Å; S225-Y385 WeakPolarHBondContact CB-OH 3.26Å; S225-Y385 PolarHBondContact OG-OH 2.94Å; T228-Y385 VanDerWaalsContact OG1-CE1 3.26Å; T228-Y385 WeakPolarHBondContact OG1-CE1 3.44Å; T228-Y385 PolarHBondContact OG1-OH 3.35Å; W265-Y385 HydrophobicContact CH2-CD1 4.29Å; W265-Y385 AromaticContact CZ3-CD1 3.96Å; W265-Y385 HydrophobicContact CZ3-CD1 3.96Å; W265-Y385 HydrophobicContact CZ3-CG 4.43Å; L272-Y385 HydrophobicContact CD1-CD2 3.48Å; L272-Y385 VanDerWaalsContact CD1-CD2 3.48Å; L272-Y385 HydrophobicContact CD1-CE2 3.66Å; L272-Y385 HydrophobicContact CD1-CG 4.07Å; P383-Y385 PolarHBondContact O-N 2.92Å; Y385-I387 PolarHBondContact O-N 2.98Å
386T50.4Low52.9Low64 Ų6447.1 Ų47.139%0.39324%0.244SC..SBendtrans-66.6133.4166.247.30000108.9P383 N388P383-T386 HydrophobicContact CB-CG2 4.39Å; P383-T386 PolarHBondContact O-N 3.43Å; P383-T386 PolarHBondContact O-OG1 2.92Å; T386-N388 PolarHBondContact O-N 3.08Å
387I56.1Low54.6Low8 Ų850.4 Ų50.44%0.04126%0.256CS..PPolyproline II helixtrans-55.7133170.9-64.2171.8000107L262 W265 Y385 K389 L391 M392L262-I387 HydrophobicContact CD2-CD1 3.34Å; W265-I387 HydrophobicContact CB-CD1 4.35Å; W265-I387 HydrophobicContact CG-CD1 4.39Å; W265-I387 HydrophobicContact CG-CG1 4.48Å; Y385-I387 PolarHBondContact O-N 2.98Å; I387-K389 PolarHBondContact O-N 3.41Å; I387-K389 VanDerWaalsContact O-N 3.08Å; I387-L391 HydrophobicContact CG2-CB 4.39Å; I387-L391 HydrophobicContact CG2-CD2 3.86Å; I387-L391 HydrophobicContact CG2-CG 4.26Å; I387-M392 HydrophobicContact CB-CE 3.86Å; I387-M392 HydrophobicContact CB-CG 3.84Å; I387-M392 HydrophobicContact CB-SD 4.04Å; I387-M392 HydrophobicContact CG2-CG 3.49Å; I387-M392 VanDerWaalsContact CG2-CG 3.49Å; I387-M392 HydrophobicContact CG2-SD 4.35Å; I387-M392 WeakPolarHBondContact O-CE 3.36Å
388N60.5Low56.3Low44 Ų4448 Ų4824%0.23525%0.247CC..PPolyproline II helixtrans-48.6125.8-179.3-178-11.5000109.2Q236 T386 S390 L391 M392Q236-N388 HydrophobicContact CB-CB 4.18Å; T386-N388 PolarHBondContact O-N 3.08Å; N388-S390 PolarHBondContact ND2-OG 2.86Å; N388-S390 PolarHBondContact O-N 2.93Å; N388-S390 PolarHBondContact OD1-N 2.97Å; N388-S390 PolarHBondContact OD1-OG 2.92Å; N388-L391 HydrophobicContact CB-CB 4.26Å; N388-L391 WeakPolarHBondContact O-CA 3.5Å; N388-L391 WeakPolarHBondContact O-CB 3.14Å; N388-L391 PolarHBondContact O-N 3.11Å; N388-M392 PolarHBondContact O-N 2.96Å
389K62.9Low58Low43 Ų4344 Ų4419%0.18723%0.227CC..Hα-helixtrans-55.2-38.9-179-70.3-174.6178.9-171.90110.7I387 L391 M392 K393 E544 D580I387-K389 PolarHBondContact O-N 3.41Å; I387-K389 VanDerWaalsContact O-N 3.08Å; K389-L391 VanDerWaalsContact C-N 3.33Å; K389-L391 PolarHBondContact O-N 2.81Å; K389-M392 PolarHBondContact O-N 2.87Å; K389-K393 VanDerWaalsContact O-CG 3.26Å; K389-K393 WeakPolarHBondContact O-CG 3.38Å; K389-K393 PolarHBondContact O-N 3.29Å; K389-E544 VanDerWaalsContact CE-OE1 3.32Å; K389-E544 WeakPolarHBondContact CE-OE1 3.4Å; K389-E544 IonicContact NZ-OE1 2.83Å; K389-E544 PolarHBondContact NZ-OE1 3.4Å; K389-E544 IonicContact NZ-OE2 3.98Å; K389-D580 HydrophobicContact CD-CB 4.27Å; K389-D580 WeakPolarHBondContact CD-O 3.39Å; K389-D580 WeakPolarHBondContact CE-O 3.14Å; K389-D580 PolarHBondContact NZ-O 2.91Å
390S64.9Low59.6Low33 Ų3341.3 Ų41.323%0.23121%0.213CC..Hα-helixtrans-59-43.7175.664.60000112.1Q240 N388 K393 C394Q240-S390 PolarHBondContact OE1-OG 3.2Å; N388-S390 PolarHBondContact ND2-OG 2.86Å; N388-S390 PolarHBondContact O-N 2.93Å; N388-S390 PolarHBondContact OD1-N 2.97Å; N388-S390 PolarHBondContact OD1-OG 2.92Å; S390-K393 WeakPolarHBondContact O-CB 3.44Å; S390-K393 PolarHBondContact O-N 3.05Å; S390-C394 PolarHBondContact O-N 3.38Å; S390-C394 PolarHBondContact O-SG 3.38Å
391L64.9Low61.5Low1 Ų141 Ų411%0.00521%0.21CC..Hα-helixtrans-63.5-44175.4175.564.1000111.2W191 Q236 I239 L243 I387 N388 K389 K393 C394 L395W191-L391 HydrophobicContact CH2-CD2 4.28Å; Q236-L391 HydrophobicContact CB-CD2 3.94Å; Q236-L391 HydrophobicContact CG-CD2 3.65Å; I239-L391 HydrophobicContact CB-CD1 3.85Å; I239-L391 HydrophobicContact CD1-CD2 4.44Å; I239-L391 HydrophobicContact CG2-CD1 3.4Å; L243-L391 HydrophobicContact CD1-CD1 3.78Å; I387-L391 HydrophobicContact CG2-CB 4.39Å; I387-L391 HydrophobicContact CG2-CD2 3.86Å; I387-L391 HydrophobicContact CG2-CG 4.26Å; N388-L391 HydrophobicContact CB-CB 4.26Å; N388-L391 WeakPolarHBondContact O-CA 3.5Å; N388-L391 WeakPolarHBondContact O-CB 3.14Å; N388-L391 PolarHBondContact O-N 3.11Å; K389-L391 VanDerWaalsContact C-N 3.33Å; K389-L391 PolarHBondContact O-N 2.81Å; L391-K393 VanDerWaalsContact C-N 3.31Å; L391-K393 PolarHBondContact O-N 3.49Å; L391-C394 PolarHBondContact O-N 2.99Å; L391-L395 HydrophobicContact CD1-CD1 4.37Å; L391-L395 HydrophobicContact CD1-CG 4.18Å; L391-L395 HydrophobicContact CG-CD1 4.11Å; L391-L395 HydrophobicContact CG-CG 4.36Å; L391-L395 WeakPolarHBondContact O-CB 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.35Å; L391-L395 PolarHBondContact O-N 2.89Å
392M66.4Low63.5Low4 Ų437.4 Ų37.42%0.0220%0.197CC..Hα-helixtrans-61.7-39.9175.9-68.5-156.7-10100111.5I387 N388 K389 L395 I396 L537 L582I387-M392 HydrophobicContact CB-CE 3.86Å; I387-M392 HydrophobicContact CB-CG 3.84Å; I387-M392 HydrophobicContact CB-SD 4.04Å; I387-M392 HydrophobicContact CG2-CG 3.49Å; I387-M392 VanDerWaalsContact CG2-CG 3.49Å; I387-M392 HydrophobicContact CG2-SD 4.35Å; I387-M392 WeakPolarHBondContact O-CE 3.36Å; N388-M392 PolarHBondContact O-N 2.96Å; K389-M392 PolarHBondContact O-N 2.87Å; M392-L395 PolarHBondContact O-N 2.86Å; M392-I396 WeakPolarHBondContact O-CB 3.5Å; M392-I396 WeakPolarHBondContact O-CG1 3.17Å; M392-I396 PolarHBondContact O-N 3.34Å; M392-L537 HydrophobicContact SD-CD2 4.17Å; M392-L582 HydrophobicContact CB-CD1 4.36Å; M392-L582 HydrophobicContact CB-CD2 3.57Å; M392-L582 HydrophobicContact CE-CD1 3.38Å; M392-L582 HydrophobicContact CG-CD1 4.49Å; M392-L582 HydrophobicContact SD-CD1 3.38Å; M392-L582 WeakPolarHBondContact SD-CD1 3.32Å; M392-L582 HydrophobicContact SD-CD2 4.38Å
393K67.8Low65.4Low74 Ų7431.9 Ų31.932%0.32217%0.171SC..Hα-helixtrans-60.8-47.5172.9-64.8-170.8179.5178.60111.3K389 S390 L391 L395 I396 H397 L585K389-K393 VanDerWaalsContact O-CG 3.26Å; K389-K393 WeakPolarHBondContact O-CG 3.38Å; K389-K393 PolarHBondContact O-N 3.29Å; S390-K393 WeakPolarHBondContact O-CB 3.44Å; S390-K393 PolarHBondContact O-N 3.05Å; L391-K393 VanDerWaalsContact C-N 3.31Å; L391-K393 PolarHBondContact O-N 3.49Å; K393-L395 PolarHBondContact O-N 3.41Å; K393-I396 PolarHBondContact O-N 2.97Å; K393-H397 PolarHBondContact O-CD2 2.86Å; K393-H397 PolarHBondContact O-N 3.39Å; K393-L585 HydrophobicContact CB-CD1 4.03Å; K393-L585 HydrophobicContact CD-CD1 4.11Å; K393-L585 HydrophobicContact CG-CD1 3.49Å; K393-L585 VanDerWaalsContact CG-CD1 3.49Å
394C68.5Low67.4Low33 Ų3331.7 Ų31.722%0.22316%0.163CC..Hα-helixtrans-60.9-42.6176.2-69.40000112.4L243 S390 L391 H397 A398L243-C394 HydrophobicContact CB-CB 4.23Å; L243-C394 HydrophobicContact CD1-CB 3.92Å; S390-C394 PolarHBondContact O-N 3.38Å; S390-C394 PolarHBondContact O-SG 3.38Å; L391-C394 PolarHBondContact O-N 2.99Å; C394-H397 PolarHBondContact O-N 3.42Å; C394-A398 WeakPolarHBondContact O-CB 3.46Å; C394-A398 PolarHBondContact O-N 3.48Å
395L71.5Confident69.1Low11 Ų1131.7 Ų31.76%0.05816%0.162CC..Hα-helixtrans-63-43.1176.4-76.2174.1000111.6L243 I258 L391 M392 K393 A398 T399L243-L395 HydrophobicContact CD1-CD2 3.92Å; L243-L395 HydrophobicContact CD1-CG 4.22Å; I258-L395 HydrophobicContact CD1-CD2 3.65Å; I258-L395 HydrophobicContact CG1-CD2 4.14Å; I258-L395 HydrophobicContact CG2-CD1 4.09Å; I258-L395 HydrophobicContact CG2-CD2 3.89Å; L391-L395 HydrophobicContact CD1-CD1 4.37Å; L391-L395 HydrophobicContact CD1-CG 4.18Å; L391-L395 HydrophobicContact CG-CD1 4.11Å; L391-L395 HydrophobicContact CG-CG 4.36Å; L391-L395 WeakPolarHBondContact O-CB 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.35Å; L391-L395 PolarHBondContact O-N 2.89Å; M392-L395 PolarHBondContact O-N 2.86Å; K393-L395 PolarHBondContact O-N 3.41Å; L395-A398 PolarHBondContact O-N 3.39Å; L395-T399 WeakPolarHBondContact O-CB 3.35Å; L395-T399 WeakPolarHBondContact O-CG2 3.43Å; L395-T399 PolarHBondContact O-N 3.13Å; L395-T399 PolarHBondContact O-OG1 2.91Å
396I71.8Confident70.5Confident2 Ų232 Ų321%0.0116%0.163CC..Hα-helixtrans-65.9-41.6177.1-66.4164.9000110.9M392 K393 T399 L400 L537 L582 L585 I586 V589M392-I396 WeakPolarHBondContact O-CB 3.5Å; M392-I396 WeakPolarHBondContact O-CG1 3.17Å; M392-I396 PolarHBondContact O-N 3.34Å; K393-I396 PolarHBondContact O-N 2.97Å; I396-T399 WeakPolarHBondContact CA-OG1 3.3Å; I396-T399 PolarHBondContact O-N 2.82Å; I396-T399 PolarHBondContact O-OG1 3.3Å; I396-L400 VanDerWaalsContact O-CB 3.31Å; I396-L400 WeakPolarHBondContact O-CB 3.28Å; I396-L400 PolarHBondContact O-N 3.26Å; I396-L537 HydrophobicContact CD1-CD1 4.25Å; I396-L537 HydrophobicContact CG1-CD1 3.91Å; I396-L582 HydrophobicContact CD1-CD2 4.26Å; I396-L585 HydrophobicContact CB-CB 4.38Å; I396-L585 HydrophobicContact CD1-CB 3.73Å; I396-L585 HydrophobicContact CD1-CD1 4.42Å; I396-L585 HydrophobicContact CG2-CB 3.8Å; I396-L585 HydrophobicContact CG2-CD2 4.39Å; I396-I586 HydrophobicContact CD1-CG1 4.32Å; I396-V589 HydrophobicContact CG2-CG2 3.55Å
397H74.5Confident71.9Confident84 Ų8428.9 Ų28.939%0.38914%0.144SC..Hα-helixtrans-63.8-43.7175-78-53.8000112.3K393 C394 T399 L400 Q401K393-H397 PolarHBondContact O-CD2 2.86Å; K393-H397 PolarHBondContact O-N 3.39Å; C394-H397 PolarHBondContact O-N 3.42Å; H397-T399 VanDerWaalsContact C-N 3.31Å; H397-T399 PolarHBondContact O-N 3.23Å; H397-L400 WeakPolarHBondContact O-CB 3.38Å; H397-L400 PolarHBondContact O-N 3.21Å; H397-Q401 PolarHBondContact O-N 3.14Å
398A72.6Confident72.9Confident15 Ų1530.5 Ų30.512%0.12416%0.156CC..Hα-helixtrans-63.6-38.5176.800000111.5L243 L250 C394 L395 Q401 T402L243-A398 HydrophobicContact CD2-CB 4.38Å; L250-A398 HydrophobicContact CD1-CB 3.5Å; L250-A398 HydrophobicContact CG-CB 4.17Å; C394-A398 WeakPolarHBondContact O-CB 3.46Å; C394-A398 PolarHBondContact O-N 3.48Å; L395-A398 PolarHBondContact O-N 3.39Å; A398-Q401 PolarHBondContact O-N 2.92Å; A398-T402 WeakPolarHBondContact O-CG2 3.47Å; A398-T402 PolarHBondContact O-N 3.32Å; A398-T402 PolarHBondContact O-OG1 3.11Å
399T74.7Confident73.9Confident3 Ų333.7 Ų33.72%0.01817%0.17CC..Hα-helixtrans-71-38.2177.9610000112.1L255 L395 I396 H397 Q401 T402 L403 M533L255-T399 HydrophobicContact CD2-CG2 3.71Å; L395-T399 WeakPolarHBondContact O-CB 3.35Å; L395-T399 WeakPolarHBondContact O-CG2 3.43Å; L395-T399 PolarHBondContact O-N 3.13Å; L395-T399 PolarHBondContact O-OG1 2.91Å; I396-T399 WeakPolarHBondContact CA-OG1 3.3Å; I396-T399 PolarHBondContact O-N 2.82Å; I396-T399 PolarHBondContact O-OG1 3.3Å; H397-T399 VanDerWaalsContact C-N 3.31Å; H397-T399 PolarHBondContact O-N 3.23Å; T399-Q401 VanDerWaalsContact C-N 3.33Å; T399-Q401 PolarHBondContact O-N 3.38Å; T399-T402 WeakPolarHBondContact CA-OG1 3.37Å; T399-T402 PolarHBondContact O-N 2.89Å; T399-T402 PolarHBondContact O-OG1 3.07Å; T399-L403 WeakPolarHBondContact O-CB 3.43Å; T399-L403 PolarHBondContact O-N 3.25Å; T399-M533 HydrophobicContact CG2-CE 3.66Å; T399-M533 HydrophobicContact CG2-SD 3.2Å; T399-M533 WeakPolarHBondContact CG2-SD 3.41Å
400L78.1Confident74.9Confident15 Ų1532 Ų328%0.07916%0.162CC..Hα-helixtrans-58-45.3171.4-167.2111.5000111.2I396 H397 L403 Q404 E588 V589 V592I396-L400 VanDerWaalsContact O-CB 3.31Å; I396-L400 WeakPolarHBondContact O-CB 3.28Å; I396-L400 PolarHBondContact O-N 3.26Å; H397-L400 WeakPolarHBondContact O-CB 3.38Å; H397-L400 PolarHBondContact O-N 3.21Å; L400-L403 WeakPolarHBondContact O-CB 3.34Å; L400-L403 PolarHBondContact O-N 3.3Å; L400-Q404 VanDerWaalsContact O-CG 3.29Å; L400-Q404 WeakPolarHBondContact O-CG 3.46Å; L400-Q404 PolarHBondContact O-N 3.45Å; L400-E588 HydrophobicContact CD1-CB 4.47Å; L400-E588 HydrophobicContact CD1-CG 3.93Å; L400-V589 HydrophobicContact CD1-CG2 4.04Å; L400-V592 HydrophobicContact CD1-CB 4.33Å; L400-V592 HydrophobicContact CD1-CG2 3.85Å; L400-V592 HydrophobicContact CG-CG2 4.49Å
401Q78.1Confident75.7Confident67 Ų6735.5 Ų35.531%0.31318%0.175SC..Hα-helixtrans-65.1-42.1176.9-169.3177.6-7.800111.9F247 H397 A398 T399 L403 Q404 D405F247-Q401 PolarHBondContact O-NE2 3.2Å; F247-Q401 PolarHBondContact O-OE1 3.38Å; H397-Q401 PolarHBondContact O-N 3.14Å; A398-Q401 PolarHBondContact O-N 2.92Å; T399-Q401 VanDerWaalsContact C-N 3.33Å; T399-Q401 PolarHBondContact O-N 3.38Å; Q401-L403 VanDerWaalsContact C-N 3.35Å; Q401-L403 PolarHBondContact O-N 3.15Å; Q401-Q404 PolarHBondContact O-N 3.22Å; Q401-D405 PolarHBondContact O-N 3.47Å
402T78.5Confident76.6Confident5 Ų535.8 Ų35.83%0.03118%0.177CC..Hα-helixtrans-65-37.4174.458.10000112.7L250 L255 A398 T399 D405 Y406L250-T402 HydrophobicContact CB-CG2 4.07Å; L255-T402 HydrophobicContact CD1-CG2 4.31Å; A398-T402 WeakPolarHBondContact O-CG2 3.47Å; A398-T402 PolarHBondContact O-N 3.32Å; A398-T402 PolarHBondContact O-OG1 3.11Å; T399-T402 WeakPolarHBondContact CA-OG1 3.37Å; T399-T402 PolarHBondContact O-N 2.89Å; T399-T402 PolarHBondContact O-OG1 3.07Å; T402-D405 WeakPolarHBondContact O-CB 3.46Å; T402-D405 PolarHBondContact O-N 3.12Å; T402-Y406 VanDerWaalsContact O-CD2 3.27Å; T402-Y406 WeakPolarHBondContact O-CD2 3.44Å; T402-Y406 PolarHBondContact O-N 2.75Å
403L81Confident77Confident0 Ų035.7 Ų35.70%018%0.176CC..Hα-helixtrans-62.7-43.8174.7175.464.6000110.8T399 L400 Q401 D405 Y406 A407 F522 F525 L530 V592 L593 I596T399-L403 WeakPolarHBondContact O-CB 3.43Å; T399-L403 PolarHBondContact O-N 3.25Å; L400-L403 WeakPolarHBondContact O-CB 3.34Å; L400-L403 PolarHBondContact O-N 3.3Å; Q401-L403 VanDerWaalsContact C-N 3.35Å; Q401-L403 PolarHBondContact O-N 3.15Å; L403-D405 VanDerWaalsContact C-N 3.33Å; L403-Y406 PolarHBondContact O-N 2.83Å; L403-A407 VanDerWaalsContact O-CB 3.32Å; L403-A407 WeakPolarHBondContact O-CB 3.34Å; L403-A407 PolarHBondContact O-N 2.89Å; L403-F522 HydrophobicContact CD1-CE2 3.99Å; L403-F525 HydrophobicContact CB-CE1 4.23Å; L403-F525 HydrophobicContact CD1-CE1 4.01Å; L403-L530 HydrophobicContact CD1-CD2 4.12Å; L403-L530 HydrophobicContact CD2-CD2 4.38Å; L403-V592 HydrophobicContact CD2-CB 4.36Å; L403-V592 HydrophobicContact CD2-CG1 3.86Å; L403-V592 HydrophobicContact CG-CG1 4.46Å; L403-L593 HydrophobicContact CD1-CD1 4.29Å; L403-L593 HydrophobicContact CD2-CB 4.24Å; L403-I596 HydrophobicContact CD1-CD1 4.24Å; L403-I596 HydrophobicContact CD2-CD1 4.28Å; L403-I596 HydrophobicContact CG-CD1 3.95Å
404Q80.4Confident77.5Confident77 Ų7734.1 Ų34.136%0.3617%0.174SC..Hα-helixtrans-63.4-38175.1-71.6174.9-8.900112.1L400 Q401 A407 S408 V592 L602L400-Q404 VanDerWaalsContact O-CG 3.29Å; L400-Q404 WeakPolarHBondContact O-CG 3.46Å; L400-Q404 PolarHBondContact O-N 3.45Å; Q401-Q404 PolarHBondContact O-N 3.22Å; Q404-A407 PolarHBondContact O-N 3.05Å; Q404-S408 WeakPolarHBondContact O-CB 3.31Å; Q404-S408 PolarHBondContact O-N 3.47Å; Q404-V592 HydrophobicContact CG-CG1 4.42Å; Q404-L602 HydrophobicContact CG-CD1 4.04Å
405D78.3Confident77.9Confident30 Ų3038.1 Ų38.116%0.1619%0.193CC..Hα-helixtrans-63.6-49.2174.7-85.7-38.1000111.8K249 Q401 T402 L403 A407 S408 Q409K249-D405 WeakPolarHBondContact CD-OD2 3.48Å; K249-D405 WeakPolarHBondContact CE-OD1 3.49Å; K249-D405 WeakPolarHBondContact CE-OD2 3.3Å; K249-D405 VanDerWaalsContact CG-OD2 3.3Å; K249-D405 WeakPolarHBondContact CG-OD2 3.07Å; K249-D405 VanDerWaalsContact NZ-CG 3.27Å; K249-D405 IonicContact NZ-OD1 3.44Å; K249-D405 PolarHBondContact NZ-OD1 3.31Å; K249-D405 IonicContact NZ-OD2 3.2Å; K249-D405 PolarHBondContact NZ-OD2 2.68Å; Q401-D405 PolarHBondContact O-N 3.47Å; T402-D405 WeakPolarHBondContact O-CB 3.46Å; T402-D405 PolarHBondContact O-N 3.12Å; L403-D405 VanDerWaalsContact C-N 3.33Å; D405-A407 VanDerWaalsContact C-N 3.25Å; D405-A407 PolarHBondContact O-N 3.36Å; D405-S408 PolarHBondContact O-N 2.71Å; D405-S408 PolarHBondContact O-OG 3.16Å; D405-Q409 WeakPolarHBondContact O-CG 2.87Å; D405-Q409 PolarHBondContact O-N 2.75Å
406Y78.7Confident78.2Confident58 Ų5838.7 Ų38.723%0.22720%0.198CC..Hα-helixtrans-62-36.9175.6-85.1-78000111.3L252 T402 L403 Q409 L410 A521 F525L252-Y406 WeakPolarHBondContact CD1-OH 3.39Å; T402-Y406 VanDerWaalsContact O-CD2 3.27Å; T402-Y406 WeakPolarHBondContact O-CD2 3.44Å; T402-Y406 PolarHBondContact O-N 2.75Å; L403-Y406 PolarHBondContact O-N 2.83Å; Y406-Q409 PolarHBondContact O-N 3.3Å; Y406-L410 PolarHBondContact O-N 3.02Å; Y406-A521 HydrophobicContact CE1-CB 4.3Å; Y406-F525 HydrophobicContact CD1-CB 4.5Å; Y406-F525 HydrophobicContact CD2-CB 4.35Å; Y406-F525 HydrophobicContact CD2-CD1 4.15Å; Y406-F525 AromaticContact CD2-CD2 3.69Å; Y406-F525 HydrophobicContact CD2-CD2 3.69Å; Y406-F525 HydrophobicContact CD2-CE1 4.4Å; Y406-F525 AromaticContact CD2-CE2 3.95Å; Y406-F525 HydrophobicContact CD2-CE2 3.95Å; Y406-F525 AromaticContact CD2-CG 3.8Å; Y406-F525 HydrophobicContact CD2-CG 3.8Å; Y406-F525 HydrophobicContact CD2-CZ 4.3Å; Y406-F525 HydrophobicContact CE1-CB 4.44Å; Y406-F525 HydrophobicContact CE2-CB 4.32Å; Y406-F525 AromaticContact CE2-CD2 3.42Å; Y406-F525 HydrophobicContact CE2-CD2 3.42Å; Y406-F525 VanDerWaalsContact CE2-CD2 3.42Å; Y406-F525 AromaticContact CE2-CE2 3.83Å; Y406-F525 HydrophobicContact CE2-CE2 3.83Å; Y406-F525 AromaticContact CE2-CG 3.91Å; Y406-F525 HydrophobicContact CE2-CG 3.91Å; Y406-F525 HydrophobicContact CG-CB 4.46Å; Y406-F525 HydrophobicContact CG-CG 4.27Å
407A80.5Confident78.2Confident0 Ų040.3 Ų40.30%021%0.208CC..Hα-helixtrans-63.9-46.2174.600000111.7L403 Q404 D405 Q409 L410 I596 F628L403-A407 VanDerWaalsContact O-CB 3.32Å; L403-A407 WeakPolarHBondContact O-CB 3.34Å; L403-A407 PolarHBondContact O-N 2.89Å; Q404-A407 PolarHBondContact O-N 3.05Å; D405-A407 VanDerWaalsContact C-N 3.25Å; D405-A407 PolarHBondContact O-N 3.36Å; A407-Q409 PolarHBondContact O-N 3.39Å; A407-Q409 VanDerWaalsContact O-N 3.09Å; A407-L410 HydrophobicContact CB-CD1 4.49Å; A407-L410 VanDerWaalsContact O-CB 3.25Å; A407-L410 WeakPolarHBondContact O-CB 3.1Å; A407-L410 PolarHBondContact O-N 2.84Å; A407-I596 HydrophobicContact CB-CD1 3.68Å; A407-I596 HydrophobicContact CB-CG1 4.07Å; A407-I596 HydrophobicContact CB-CG2 4.32Å; A407-F628 VanDerWaalsContact C-CD2 3.4Å; A407-F628 HydrophobicContact CB-CD2 4.02Å; A407-F628 HydrophobicContact CB-CE2 4.12Å; A407-F628 HydrophobicContact CB-CG 4.29Å; A407-F628 HydrophobicContact CB-CZ 4.5Å; A407-F628 WeakPolarHBondContact O-CD2 3.32Å; A407-F628 WeakPolarHBondContact O-CE2 3.32Å
408S77.3Confident77.9Confident41 Ų4138.3 Ų38.329%0.28721%0.206SC..Hα-helixtrans-59.7-23.5179.273.40000113.7Q404 D405Q404-S408 WeakPolarHBondContact O-CB 3.31Å; Q404-S408 PolarHBondContact O-N 3.47Å; D405-S408 PolarHBondContact O-N 2.71Å; D405-S408 PolarHBondContact O-OG 3.16Å
409Q81.2Confident77.4Confident111 Ų11138.1 Ų38.152%0.51920%0.203SC..THydrogen-bonded Turntrans-91.8-7.3178-65.917331.300113.5D405 Y406 A407 Q411 S518D405-Q409 WeakPolarHBondContact O-CG 2.87Å; D405-Q409 PolarHBondContact O-N 2.75Å; Y406-Q409 PolarHBondContact O-N 3.3Å; A407-Q409 PolarHBondContact O-N 3.39Å; A407-Q409 VanDerWaalsContact O-N 3.09Å; Q409-Q411 PolarHBondContact O-N 3.19Å; Q409-S518 VanDerWaalsContact O-CB 3.23Å; Q409-S518 WeakPolarHBondContact O-CB 3.33Å
410L83.2Confident76.6Confident7 Ų739.2 Ų39.24%0.03721%0.208CC..  trans-63.4124177.7-74.3172.2000110.1Y406 A407 L519 F522 I596 F628 L631 Q634Y406-L410 PolarHBondContact O-N 3.02Å; A407-L410 HydrophobicContact CB-CD1 4.49Å; A407-L410 VanDerWaalsContact O-CB 3.25Å; A407-L410 WeakPolarHBondContact O-CB 3.1Å; A407-L410 PolarHBondContact O-N 2.84Å; L410-L519 HydrophobicContact CD2-CB 4.42Å; L410-L519 HydrophobicContact CD2-CD1 4.18Å; L410-F522 HydrophobicContact CD1-CD1 4.34Å; L410-F522 HydrophobicContact CD1-CD2 3.96Å; L410-F522 HydrophobicContact CD1-CE1 4.45Å; L410-F522 HydrophobicContact CD1-CE2 4.08Å; L410-F522 HydrophobicContact CD1-CG 4.1Å; L410-F522 HydrophobicContact CD1-CZ 4.32Å; L410-F522 HydrophobicContact CD2-CB 3.51Å; L410-F522 HydrophobicContact CD2-CD1 4.18Å; L410-F522 HydrophobicContact CD2-CD2 4.25Å; L410-F522 HydrophobicContact CD2-CG 3.74Å; L410-F522 HydrophobicContact CG-CB 4.39Å; L410-F522 HydrophobicContact CG-CD2 4.3Å; L410-F522 HydrophobicContact CG-CG 4.29Å; L410-I596 HydrophobicContact CD1-CG2 4.2Å; L410-F628 HydrophobicContact CB-CE2 4.3Å; L410-F628 HydrophobicContact CD1-CE2 4.24Å; L410-L631 HydrophobicContact CB-CD2 4.32Å; L410-L631 HydrophobicContact CD1-CD2 4.06Å; L410-Q634 PolarHBondContact O-NE2 2.97Å; L410-Q634 PolarHBondContact O-OE1 3.03Å
411Q82Confident75.5Confident108 Ų10839.3 Ų39.351%0.50521%0.209SC..  trans-139.2125.3176.7-67.9-175.6-10.500108.5Q409 C414 S516 S518Q409-Q411 PolarHBondContact O-N 3.19Å; Q411-C414 HydrophobicContact CB-CB 4.28Å; Q411-S516 WeakPolarHBondContact O-CB 3.33Å; Q411-S518 PolarHBondContact N-OG 2.69Å; Q411-S518 PolarHBondContact O-OG 2.89Å
412F83.4Confident74Confident7 Ų737.7 Ų37.73%0.03120%0.202CC..THydrogen-bonded Turntrans-79.2145.8175-75.8-76.3000112.9C414 L631 Q634 L635 I638 D658 L662F412-C414 VanDerWaalsContact C-N 3.26Å; F412-C414 PolarHBondContact O-N 2.85Å; F412-C414 PolarHBondContact O-SG 2.67Å; F412-L631 HydrophobicContact CD2-CD2 4.47Å; F412-L631 HydrophobicContact CE2-CB 3.72Å; F412-L631 HydrophobicContact CE2-CD2 3.51Å; F412-L631 HydrophobicContact CE2-CG 4.11Å; F412-L631 HydrophobicContact CZ-CB 4.13Å; F412-L631 HydrophobicContact CZ-CD1 4.44Å; F412-L631 HydrophobicContact CZ-CD2 3.96Å; F412-L631 HydrophobicContact CZ-CG 4.39Å; F412-Q634 HydrophobicContact CD2-CB 4.01Å; F412-L635 HydrophobicContact CD1-CD2 4.35Å; F412-L635 HydrophobicContact CD2-CD2 4.26Å; F412-L635 HydrophobicContact CD2-CG 4.29Å; F412-L635 HydrophobicContact CE2-CD2 4.44Å; F412-L635 HydrophobicContact CE2-CG 4.18Å; F412-L635 HydrophobicContact CG-CD2 4.2Å; F412-I638 HydrophobicContact CB-CD1 3.58Å; F412-D658 WeakPolarHBondContact CA-OD2 3.45Å; F412-D658 HydrophobicContact CD1-CB 3.38Å; F412-D658 HydrophobicContact CE1-CB 3.66Å; F412-L662 HydrophobicContact CE1-CD1 3.74Å; F412-L662 HydrophobicContact CZ-CD1 3.55Å
413G76.2Confident72.3Confident1 Ų142 Ų421%0.0122%0.223CC..THydrogen-bonded Turntrans62.226.4171.400000115.1S516 D658G413-S516 PolarHBondContact N-OG 2.82Å; G413-D658 PolarHBondContact N-OD2 2.7Å
414C77.5Confident70.2Confident42 Ų4246.3 Ų46.328%0.28425%0.253SS..  trans-128.4136.9-172.6-74.10000111.7Q411 F412 S516Q411-C414 HydrophobicContact CB-CB 4.28Å; F412-C414 VanDerWaalsContact C-N 3.26Å; F412-C414 PolarHBondContact O-N 2.85Å; F412-C414 PolarHBondContact O-SG 2.67Å; C414-S516 PolarHBondContact N-OG 2.81Å; C414-S516 VanDerWaalsContact N-OG 3.11Å; C414-S516 WeakPolarHBondContact O-CA 3.48Å; C414-S516 WeakPolarHBondContact O-CB 3.33Å; C414-S516 PolarHBondContact O-OG 3.36Å
415N77Confident68.1Low116 Ų11645.1 Ų45.162%0.6225%0.253SS*.SBendtrans49.464.2178.4-63.6-35.8000112.8T417 K517N415-T417 PolarHBondContact O-N 3.03Å; N415-K517 PolarHBondContact O-N 3.49Å
416P78.3Confident66.1Low23 Ų2351.8 Ų51.815%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-64.8133.5-175.629.4-36.4000111Y514 I515 L654 L743P416-Y514 HydrophobicContact CB-CD1 4.05Å; P416-Y514 HydrophobicContact CB-CG 4.46Å; P416-I515 WeakPolarHBondContact CA-O 3.35Å; P416-L654 HydrophobicContact CB-CD1 4.2Å; P416-L654 HydrophobicContact CB-CD2 3.84Å; P416-L654 HydrophobicContact CG-CD1 4.17Å; P416-L743 HydrophobicContact CG-CB 3.99Å; P416-L743 WeakPolarHBondContact CG-O 3.5Å
417T70.5Confident64Low36 Ų3653.9 Ų53.922%0.22130%0.299CS..EExtended strand (participates in β ladder)trans-113.5130.6172.942.40000109.2N415 I419 Y514 I515 K517 Q520N415-T417 PolarHBondContact O-N 3.03Å; T417-I419 PolarHBondContact O-N 3.35Å; T417-Y514 WeakPolarHBondContact O-CA 3.26Å; T417-I515 PolarHBondContact N-O 3.19Å; T417-I515 PolarHBondContact O-N 3.19Å; T417-I515 PolarHBondContact OG1-O 2.92Å; T417-K517 HydrophobicContact CG2-CB 3.92Å; T417-K517 HydrophobicContact CG2-CD 4.27Å; T417-K517 HydrophobicContact CG2-CG 4.09Å; T417-Q520 PolarHBondContact OG1-OE1 2.85Å
418A69.1Low61.6Low42 Ų4258.4 Ų58.435%0.34732%0.324SS..EExtended strand (participates in β ladder)trans-72.2127.2175.400000110R512 Y514A418-R512 HydrophobicContact CB-CB 4.15Å; A418-R512 HydrophobicContact CB-CG 4.12Å; A418-Y514 HydrophobicContact CB-CD1 4.03Å; A418-Y514 HydrophobicContact CB-CE1 3.56Å
419I62.2Low59.4Low11 Ų1160.4 Ų60.46%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-93.9108.4165.4-74148.6000107.7T417 I421 L444 L448 R512 I513 I515T417-I419 PolarHBondContact O-N 3.35Å; I419-I421 HydrophobicContact CG2-CG1 4.43Å; I419-L444 HydrophobicContact CB-CD2 4.31Å; I419-L444 HydrophobicContact CD1-CD1 4.24Å; I419-L444 HydrophobicContact CD1-CD2 3.55Å; I419-L444 HydrophobicContact CG1-CD1 4.46Å; I419-L444 HydrophobicContact CG1-CD2 3.97Å; I419-L444 HydrophobicContact CG2-CD2 3.53Å; I419-L448 HydrophobicContact CG2-CD1 4.21Å; I419-R512 VanDerWaalsContact O-CA 3.26Å; I419-R512 WeakPolarHBondContact O-CA 3.31Å; I419-I513 PolarHBondContact N-O 2.97Å; I419-I513 PolarHBondContact O-N 3.19Å; I419-I515 HydrophobicContact CD1-CB 4.12Å; I419-I515 HydrophobicContact CD1-CD1 3.3Å; I419-I515 HydrophobicContact CD1-CG1 3.76Å
420D57.7Low57.1Low26 Ų2660 Ų6014%0.13935%0.347CS..EExtended strand (participates in β ladder)trans-82.9114.3174.5-158.4-42.3000110.2M422 M423 R512D420-M422 WeakPolarHBondContact OD1-CB 3.33Å; D420-M422 PolarHBondContact OD1-N 3.44Å; D420-M423 PolarHBondContact OD1-N 2.57Å; D420-R512 HydrophobicContact CB-CG 4.27Å; D420-R512 IonicContact OD2-CZ 3.98Å; D420-R512 IonicContact OD2-NE 3.44Å; D420-R512 PolarHBondContact OD2-NE 3.49Å; D420-R512 IonicContact OD2-NH2 2.66Å; D420-R512 PolarHBondContact OD2-NH2 2.88Å
421I54.5Low54.6Low18 Ų1867.8 Ų67.89%0.09238%0.383CS..SBendtrans-82.8-22.6-177.6-51.6167.9000110.8I419 L448 M510 P511 I513I419-I421 HydrophobicContact CG2-CG1 4.43Å; I421-L448 HydrophobicContact CD1-CD1 3.72Å; I421-L448 HydrophobicContact CG1-CD1 3.68Å; I421-M510 HydrophobicContact CB-CE 3.69Å; I421-M510 HydrophobicContact CD1-CG 4.07Å; I421-M510 HydrophobicContact CG2-CE 3.68Å; I421-P511 PolarHBondContact N-O 2.83Å; I421-I513 HydrophobicContact CD1-CG1 4.43Å
422M47.4Very low52.2Low33 Ų3365.8 Ų65.816%0.16338%0.38CS..SBendtrans-83.4-37.9-172.8-76.3-97.4173.200113.2D420 S424 M510 P511 F1364 K1368D420-M422 WeakPolarHBondContact OD1-CB 3.33Å; D420-M422 PolarHBondContact OD1-N 3.44Å; M422-S424 VanDerWaalsContact C-N 3.3Å; M422-S424 PolarHBondContact O-N 3.21Å; M422-M510 HydrophobicContact CE-CE 3.44Å; M422-M510 VanDerWaalsContact CE-CE 3.44Å; M422-M510 HydrophobicContact CE-SD 3.34Å; M422-M510 WeakPolarHBondContact CE-SD 3.41Å; M422-M510 HydrophobicContact CG-CE 3.58Å; M422-M510 HydrophobicContact CG-SD 4.43Å; M422-M510 HydrophobicContact SD-CE 4.11Å; M422-P511 HydrophobicContact CG-CB 4.33Å; M422-F1364 HydrophobicContact CE-CB 3.48Å; M422-F1364 VanDerWaalsContact CE-CB 3.48Å; M422-F1364 HydrophobicContact CE-CD1 3.62Å; M422-F1364 HydrophobicContact CE-CG 3.82Å; M422-F1364 HydrophobicContact SD-CB 3.79Å; M422-F1364 HydrophobicContact SD-CG 4.26Å; M422-K1368 HydrophobicContact CE-CD 4.38Å; M422-K1368 HydrophobicContact CE-CG 4.29Å; M422-K1368 HydrophobicContact SD-CD 4.16Å; M422-K1368 WeakPolarHBondContact SD-CE 3.18Å
423M41Very low49.8Very low95 Ų9569 Ų6947%0.46842%0.416SS..  trans-85.369.9-170.6-62.5-62.6-117.300111.7D420 S425D420-M423 PolarHBondContact OD1-N 2.57Å; M423-S425 PolarHBondContact O-N 3.26Å
424S38.2Very low47.9Very low90 Ų9074.2 Ų74.263%0.62944%0.443SS*.  trans-75.7-1.5161.863.60000112.7M422 K426M422-S424 VanDerWaalsContact C-N 3.3Å; M422-S424 PolarHBondContact O-N 3.21Å; S424-K426 PolarHBondContact O-N 3.13Å
425S35.1Very low45.8Very low52 Ų5278.9 Ų78.936%0.36447%0.466SS..  trans-63.2114.8178.353.90000109.4M423 T427M423-S425 PolarHBondContact O-N 3.26Å; S425-T427 PolarHBondContact O-N 2.64Å
426K37.4Very low44Very low170 Ų17076.1 Ų76.174%0.73945%0.45SS*.G310 helixtrans-47.1-15.7179.3-71.5177.4175.2176.50115.2S424 S429S424-K426 PolarHBondContact O-N 3.13Å; K426-S429 PolarHBondContact O-OG 3.42Å
427T34.4Very low42.4Very low102 Ų10278.8 Ų78.863%0.62646%0.463SS*.G310 helixtrans-65.9-38.1-171.848.20000114.1S425 S429S425-T427 PolarHBondContact O-N 2.64Å; T427-S429 VanDerWaalsContact C-N 3.34Å; T427-S429 PolarHBondContact O-N 3.39Å
428D30.4Very low41.1Very low96 Ų9682.1 Ų82.151%0.51348%0.479SS..G310 helixtrans-89.8-2-174.1-65.4-10.7000113.4S430 Q431D428-S430 PolarHBondContact O-N 3.27Å; D428-Q431 PolarHBondContact O-N 3.11Å
429S30Very low39.8Very low82 Ų8284.4 Ų84.457%0.57348%0.482SS*.G310 helixtrans-60.7-16.1177.5640000114.2K426 T427K426-S429 PolarHBondContact O-OG 3.42Å; T427-S429 VanDerWaalsContact C-N 3.34Å; T427-S429 PolarHBondContact O-N 3.39Å
430S34.3Very low39.1Very low102 Ų10284.5 Ų84.571%0.71348%0.482SS*.G310 helixtrans-76.9-17.9178.662.90000114.6D428D428-S430 PolarHBondContact O-N 3.27Å
431Q31.1Very low38.6Very low171 Ų17188.2 Ų88.280%0.79950%0.495SS*.SBendtrans-99.7-7.7-174.4-74.2-172.3-1.900114.9D428 G433D428-Q431 PolarHBondContact O-N 3.11Å; Q431-G433 PolarHBondContact O-N 3.38Å
432C30.9Very low38.4Very low67 Ų6790.5 Ų90.545%0.45351%0.507SS..  trans-77.793.5171.4-141.40000108.5N434C432-N434 CarbonylContact O-C 3.12Å; C432-N434 PolarHBondContact O-N 3.46Å
433G32.4Very low38.5Very low75 Ų7590 Ų9077%0.77351%0.507SS*.SBendtrans-58.7-8.2-177.400000115.2Q431Q431-G433 PolarHBondContact O-N 3.38Å
434N35.9Very low39Very low110 Ų11086 Ų8659%0.58849%0.487SS*.SBendtrans-105.2115.6165-65.2-14.6000107.2C432 L436C432-N434 CarbonylContact O-C 3.12Å; C432-N434 PolarHBondContact O-N 3.46Å; N434-L436 PolarHBondContact O-N 3.4Å
435N34.8Very low39.6Very low140 Ų14083.8 Ų83.875%0.74947%0.468SS*.  trans-6059.1177.6-68.1-32.1000113.6R256 N437R256-N435 PolarHBondContact NH1-O 2.88Å; N435-N437 PolarHBondContact O-N 3.16Å
436L38.7Very low40.3Very low57 Ų5782.9 Ų82.930%0.29846%0.459SS..  trans-80.4103.6166.7-71.1165.6000105.6N434 Y440N434-L436 PolarHBondContact O-N 3.4Å; L436-Y440 HydrophobicContact CB-CD1 4.34Å; L436-Y440 HydrophobicContact CB-CG 4.2Å; L436-Y440 HydrophobicContact CD2-CD2 4.36Å; L436-Y440 HydrophobicContact CD2-CG 4.48Å
437N45.3Very low41Very low79 Ų7974.9 Ų74.942%0.42242%0.424SS..  trans-59.7166.9-173-88.1-18.9000112.3N435 E439 Y440N435-N437 PolarHBondContact O-N 3.16Å; N437-E439 HydrophobicContact CB-CB 4.14Å; N437-E439 HydrophobicContact CB-CG 4.34Å; N437-E439 PolarHBondContact ND2-OE2 2.95Å; N437-E439 PolarHBondContact O-N 3.23Å; N437-Y440 WeakPolarHBondContact O-CB 3.41Å; N437-Y440 PolarHBondContact O-N 3.14Å
438I42.7Very low41.8Very low107 Ų10770.2 Ų70.255%0.54940%0.395SS..Hα-helixtrans-45.1-30.7164.1-65.3163.8000112.3Y440 Y441 N442I438-Y440 VanDerWaalsContact C-N 3.29Å; I438-Y440 PolarHBondContact O-N 2.87Å; I438-Y441 PolarHBondContact O-N 3.24Å; I438-N442 PolarHBondContact O-N 3.48Å; I438-N442 VanDerWaalsContact O-N 3.15Å
439E42.2Very low42.6Very low90 Ų9067.2 Ų67.242%0.42138%0.378SS..Hα-helixtrans-57.9-37.7174.4-65.5171149.800112.9N437 N442 C443 F472N437-E439 HydrophobicContact CB-CB 4.14Å; N437-E439 HydrophobicContact CB-CG 4.34Å; N437-E439 PolarHBondContact ND2-OE2 2.95Å; N437-E439 PolarHBondContact O-N 3.23Å; E439-N442 WeakPolarHBondContact O-CB 3.07Å; E439-N442 PolarHBondContact O-N 3.47Å; E439-C443 PolarHBondContact O-N 3.32Å; E439-C443 PolarHBondContact O-SG 2.95Å; E439-C443 VanDerWaalsContact O-SG 3.4Å; E439-F472 HydrophobicContact CG-CZ 4.49Å
440Y47.2Very low43.6Very low12 Ų1263.9 Ų63.95%0.04736%0.355CS..Hα-helixtrans-60.3-48.8177.1178.9-109.4000111.8L436 N437 I438 N442 C443 L444 Q520 A524 E528L436-Y440 HydrophobicContact CB-CD1 4.34Å; L436-Y440 HydrophobicContact CB-CG 4.2Å; L436-Y440 HydrophobicContact CD2-CD2 4.36Å; L436-Y440 HydrophobicContact CD2-CG 4.48Å; N437-Y440 WeakPolarHBondContact O-CB 3.41Å; N437-Y440 PolarHBondContact O-N 3.14Å; I438-Y440 VanDerWaalsContact C-N 3.29Å; I438-Y440 PolarHBondContact O-N 2.87Å; Y440-N442 VanDerWaalsContact C-N 3.26Å; Y440-N442 PolarHBondContact O-N 3.16Å; Y440-C443 PolarHBondContact O-N 3.38Å; Y440-L444 HydrophobicContact CE1-CD1 3.7Å; Y440-L444 HydrophobicContact CE2-CD1 3.78Å; Y440-L444 PolarHBondContact O-N 3.46Å; Y440-L444 WeakPolarHBondContact OH-CD1 3.39Å; Y440-Q520 WeakPolarHBondContact OH-CG 3.15Å; Y440-Q520 PolarHBondContact OH-NE2 3.23Å; Y440-A524 HydrophobicContact CD2-CB 3.69Å; Y440-A524 HydrophobicContact CE2-CB 3.33Å; Y440-E528 VanDerWaalsContact CA-OE1 3.27Å; Y440-E528 WeakPolarHBondContact CA-OE1 2.97Å; Y440-E528 VanDerWaalsContact CB-OE1 3.22Å; Y440-E528 WeakPolarHBondContact CB-OE1 3.28Å
441Y47.6Very low44.2Very low105 Ų10561.4 Ų61.441%0.41234%0.336SS..Hα-helixtrans-62.8-35.1176.6-82.3-85.6000111.6I438 L444 N445I438-Y441 PolarHBondContact O-N 3.24Å; Y441-L444 PolarHBondContact O-N 3.32Å; Y441-N445 VanDerWaalsContact O-CB 3.28Å; Y441-N445 WeakPolarHBondContact O-CB 3.09Å; Y441-N445 VanDerWaalsContact O-CG 3.26Å; Y441-N445 PolarHBondContact O-N 2.69Å; Y441-N445 PolarHBondContact O-ND2 2.8Å
442N49.1Very low45Very low66 Ų6653.5 Ų53.535%0.35330%0.299SS..Hα-helixtrans-66.3-46.5173.7-68.4-18.1000111.4I438 E439 Y440 L444 N445 I446I438-N442 PolarHBondContact O-N 3.48Å; I438-N442 VanDerWaalsContact O-N 3.15Å; E439-N442 WeakPolarHBondContact O-CB 3.07Å; E439-N442 PolarHBondContact O-N 3.47Å; Y440-N442 VanDerWaalsContact C-N 3.26Å; Y440-N442 PolarHBondContact O-N 3.16Å; N442-L444 PolarHBondContact O-N 2.77Å; N442-N445 PolarHBondContact O-N 3.35Å; N442-I446 VanDerWaalsContact O-CB 3.28Å; N442-I446 WeakPolarHBondContact O-CB 3.36Å; N442-I446 WeakPolarHBondContact O-CD1 3.36Å; N442-I446 WeakPolarHBondContact O-CG1 3.48Å; N442-I446 PolarHBondContact O-N 3.23Å
443C49.4Very low45.8Very low23 Ų2350.5 Ų50.516%0.15528%0.279CS..Hα-helixtrans-60.3-34.4176.3-72.10000112.7E439 Y440 I446 L447 L527E439-C443 PolarHBondContact O-N 3.32Å; E439-C443 PolarHBondContact O-SG 2.95Å; E439-C443 VanDerWaalsContact O-SG 3.4Å; Y440-C443 PolarHBondContact O-N 3.38Å; C443-I446 WeakPolarHBondContact O-CB 3.39Å; C443-L447 WeakPolarHBondContact O-CB 3.33Å; C443-L447 PolarHBondContact O-N 2.9Å; C443-L527 HydrophobicContact CB-CB 4.27Å; C443-L527 HydrophobicContact CB-CD1 3.95Å
444L52.1Low46.2Very low9 Ų947.2 Ų47.25%0.04724%0.244CC..Hα-helixtrans-80-39.3178.1-129.1140.8000112.8I419 Y440 Y441 N442 I446 L447 L448I419-L444 HydrophobicContact CB-CD2 4.31Å; I419-L444 HydrophobicContact CD1-CD1 4.24Å; I419-L444 HydrophobicContact CD1-CD2 3.55Å; I419-L444 HydrophobicContact CG1-CD1 4.46Å; I419-L444 HydrophobicContact CG1-CD2 3.97Å; I419-L444 HydrophobicContact CG2-CD2 3.53Å; Y440-L444 HydrophobicContact CE1-CD1 3.7Å; Y440-L444 HydrophobicContact CE2-CD1 3.78Å; Y440-L444 PolarHBondContact O-N 3.46Å; Y440-L444 WeakPolarHBondContact OH-CD1 3.39Å; Y441-L444 PolarHBondContact O-N 3.32Å; N442-L444 PolarHBondContact O-N 2.77Å; L444-I446 PolarHBondContact O-N 2.98Å; L444-L447 PolarHBondContact O-N 2.92Å; L444-L447 VanDerWaalsContact O-N 3.1Å; L444-L448 HydrophobicContact CD2-CD1 4.15Å; L444-L448 HydrophobicContact CD2-CG 4.32Å; L444-L448 WeakPolarHBondContact O-CB 3.25Å; L444-L448 VanDerWaalsContact O-CG 3.26Å; L444-L448 WeakPolarHBondContact O-CG 3.44Å; L444-L448 PolarHBondContact O-N 2.93Å
445N50.7Low46.5Very low45 Ų4543.2 Ų43.224%0.24122%0.224CC..Hα-helixtrans-56.8-41.4167.9-80.1-20.3000111.1Y441 N442 L448 Q449Y441-N445 VanDerWaalsContact O-CB 3.28Å; Y441-N445 WeakPolarHBondContact O-CB 3.09Å; Y441-N445 VanDerWaalsContact O-CG 3.26Å; Y441-N445 PolarHBondContact O-N 2.69Å; Y441-N445 PolarHBondContact O-ND2 2.8Å; N442-N445 PolarHBondContact O-N 3.35Å; N445-L448 CarbonylContact O-C 3.5Å; N445-L448 PolarHBondContact O-N 3.1Å; N445-Q449 WeakPolarHBondContact O-CB 3.29Å; N445-Q449 VanDerWaalsContact O-CD 3.29Å; N445-Q449 WeakPolarHBondContact O-CG 3.3Å; N445-Q449 PolarHBondContact O-N 2.78Å; N445-Q449 PolarHBondContact O-OE1 3.08Å
446I49.2Very low46.6Very low33 Ų3336.8 Ų36.817%0.16919%0.19CC..Hα-helixtrans-57.7-48.6172.4-79.7165.6000110.9N442 C443 L444 L448 Q449 T450 F469 L668N442-I446 VanDerWaalsContact O-CB 3.28Å; N442-I446 WeakPolarHBondContact O-CB 3.36Å; N442-I446 WeakPolarHBondContact O-CD1 3.36Å; N442-I446 WeakPolarHBondContact O-CG1 3.48Å; N442-I446 PolarHBondContact O-N 3.23Å; C443-I446 WeakPolarHBondContact O-CB 3.39Å; L444-I446 PolarHBondContact O-N 2.98Å; I446-L448 VanDerWaalsContact C-N 3.3Å; I446-L448 PolarHBondContact O-N 3.33Å; I446-Q449 PolarHBondContact O-N 3.26Å; I446-Q449 VanDerWaalsContact O-N 3.14Å; I446-T450 PolarHBondContact O-N 2.73Å; I446-T450 PolarHBondContact O-OG1 3.39Å; I446-F469 HydrophobicContact CB-CE1 4.16Å; I446-F469 HydrophobicContact CB-CZ 3.97Å; I446-F469 HydrophobicContact CD1-CD1 4.23Å; I446-F469 HydrophobicContact CD1-CE1 3.71Å; I446-F469 HydrophobicContact CD1-CZ 4.09Å; I446-F469 HydrophobicContact CG1-CE1 3.71Å; I446-F469 HydrophobicContact CG1-CE2 4.28Å; I446-F469 HydrophobicContact CG1-CZ 3.56Å; I446-F469 HydrophobicContact CG2-CE1 3.46Å; I446-F469 VanDerWaalsContact CG2-CE1 3.46Å; I446-F469 HydrophobicContact CG2-CZ 3.5Å; I446-F469 VanDerWaalsContact CG2-CZ 3.5Å; I446-L668 HydrophobicContact CG2-CD1 4.01Å; I446-L668 HydrophobicContact CG2-CD2 3.72Å
447L51.9Low46.4Very low1 Ų136.9 Ų36.91%0.00519%0.192CC..Hα-helixtrans-66.5-33.2-179.1-157.5132.6000111.7C443 L444 Q449 T450 F453 I523 L527 A664 L665C443-L447 WeakPolarHBondContact O-CB 3.33Å; C443-L447 PolarHBondContact O-N 2.9Å; L444-L447 PolarHBondContact O-N 2.92Å; L444-L447 VanDerWaalsContact O-N 3.1Å; L447-Q449 VanDerWaalsContact C-N 3.35Å; L447-T450 VanDerWaalsContact C-OG1 3.25Å; L447-T450 WeakPolarHBondContact CA-OG1 3.42Å; L447-T450 WeakPolarHBondContact O-CB 3.19Å; L447-T450 PolarHBondContact O-N 2.75Å; L447-T450 PolarHBondContact O-OG1 3.4Å; L447-F453 HydrophobicContact CD2-CE2 4.03Å; L447-F453 WeakPolarHBondContact O-CD2 3.41Å; L447-I523 HydrophobicContact CD1-CG2 3.6Å; L447-L527 HydrophobicContact CD1-CD1 3.91Å; L447-A664 HydrophobicContact CD2-CB 3.56Å; L447-A664 HydrophobicContact CG-CB 3.79Å; L447-L665 HydrophobicContact CD1-CB 4.09Å; L447-L665 HydrophobicContact CD1-CD1 4.41Å
448L51.5Low46.1Very low4 Ų434.7 Ų34.72%0.02118%0.18CC..Hα-helixtrans-78.5-14.9174.4-64.5175.8000114.1I419 I421 L444 N445 I446 T450 F453 I513I419-L448 HydrophobicContact CG2-CD1 4.21Å; I421-L448 HydrophobicContact CD1-CD1 3.72Å; I421-L448 HydrophobicContact CG1-CD1 3.68Å; L444-L448 HydrophobicContact CD2-CD1 4.15Å; L444-L448 HydrophobicContact CD2-CG 4.32Å; L444-L448 WeakPolarHBondContact O-CB 3.25Å; L444-L448 VanDerWaalsContact O-CG 3.26Å; L444-L448 WeakPolarHBondContact O-CG 3.44Å; L444-L448 PolarHBondContact O-N 2.93Å; N445-L448 CarbonylContact O-C 3.5Å; N445-L448 PolarHBondContact O-N 3.1Å; I446-L448 VanDerWaalsContact C-N 3.3Å; I446-L448 PolarHBondContact O-N 3.33Å; L448-T450 VanDerWaalsContact C-N 3.33Å; L448-F453 HydrophobicContact CD2-CB 4.47Å; L448-F453 HydrophobicContact CD2-CD1 3.67Å; L448-F453 HydrophobicContact CD2-CD2 3.85Å; L448-F453 HydrophobicContact CD2-CE1 3.71Å; L448-F453 HydrophobicContact CD2-CE2 3.87Å; L448-F453 HydrophobicContact CD2-CG 3.74Å; L448-F453 HydrophobicContact CD2-CZ 3.8Å; L448-F453 WeakPolarHBondContact O-CB 3.27Å; L448-I513 HydrophobicContact CD2-CD1 3.47Å; L448-I513 VanDerWaalsContact CD2-CD1 3.47Å
449Q48.3Very low45.7Very low33 Ų3329.9 Ų29.915%0.15416%0.156CC..Hα-helixtrans-87.6-8.6171-73.5160.3-11.800112.4N445 I446 L447 A454 F462 L467N445-Q449 WeakPolarHBondContact O-CB 3.29Å; N445-Q449 VanDerWaalsContact O-CD 3.29Å; N445-Q449 WeakPolarHBondContact O-CG 3.3Å; N445-Q449 PolarHBondContact O-N 2.78Å; N445-Q449 PolarHBondContact O-OE1 3.08Å; I446-Q449 PolarHBondContact O-N 3.26Å; I446-Q449 VanDerWaalsContact O-N 3.14Å; L447-Q449 VanDerWaalsContact C-N 3.35Å; Q449-A454 WeakPolarHBondContact O-CB 3.24Å; Q449-F462 HydrophobicContact CB-CB 4.1Å; Q449-F462 HydrophobicContact CB-CD1 4.23Å; Q449-F462 HydrophobicContact CB-CD2 4.2Å; Q449-F462 HydrophobicContact CB-CG 3.91Å; Q449-F462 HydrophobicContact CG-CD1 3.89Å; Q449-F462 HydrophobicContact CG-CD2 4.43Å; Q449-F462 HydrophobicContact CG-CE1 4.05Å; Q449-F462 HydrophobicContact CG-CG 4.07Å; Q449-F462 HydrophobicContact CG-CZ 4.4Å; Q449-L467 HydrophobicContact CB-CD1 4.22Å; Q449-L467 VanDerWaalsContact CD-CD1 3.45Å; Q449-L467 HydrophobicContact CG-CD1 4.24Å
450T49.6Very low45.5Very low13 Ų1331.1 Ų31.18%0.0816%0.162CC..SBendtrans-58.1144.4173.1-39.30000109.7I446 L447 L448 V452 F453 A454 A664I446-T450 PolarHBondContact O-N 2.73Å; I446-T450 PolarHBondContact O-OG1 3.39Å; L447-T450 VanDerWaalsContact C-OG1 3.25Å; L447-T450 WeakPolarHBondContact CA-OG1 3.42Å; L447-T450 WeakPolarHBondContact O-CB 3.19Å; L447-T450 PolarHBondContact O-N 2.75Å; L447-T450 PolarHBondContact O-OG1 3.4Å; L448-T450 VanDerWaalsContact C-N 3.33Å; T450-V452 PolarHBondContact O-N 3.33Å; T450-F453 PolarHBondContact O-N 3.11Å; T450-A454 PolarHBondContact O-N 3Å; T450-A664 HydrophobicContact CG2-CB 4.19Å
451P47.8Very low45Very low49 Ų4931.2 Ų31.232%0.31816%0.164SC..THydrogen-bonded Turntrans-54.3-11.1-173.6-27.231.5000117.4A454 S456P451-A454 CarbonylContact C-O 3.23Å; P451-A454 VanDerWaalsContact C-O 3.23Å; P451-A454 VanDerWaalsContact CA-O 3.26Å; P451-A454 WeakPolarHBondContact CA-O 3.23Å; P451-A454 CarbonylContact O-C 3.56Å; P451-S456 WeakPolarHBondContact O-CA 3.4Å
452V48.7Very low44.5Very low5 Ų528.2 Ų28.23%0.0315%0.153CC..THydrogen-bonded Turntrans-73.8-43176.5-175.30000111.2T450 L660 R663T450-V452 PolarHBondContact O-N 3.33Å; V452-L660 HydrophobicContact CG1-CB 4.5Å; V452-L660 HydrophobicContact CG1-CD2 3.51Å; V452-R663 HydrophobicContact CG2-CG 4.1Å
453F47Very low43.8Very low5 Ų528 Ų282%0.02215%0.152CC..THydrogen-bonded Turntrans-91.2-31.3178.7-73-72.3000110.8L447 L448 T450 L508 I513 L660 A664L447-F453 HydrophobicContact CD2-CE2 4.03Å; L447-F453 WeakPolarHBondContact O-CD2 3.41Å; L448-F453 HydrophobicContact CD2-CB 4.47Å; L448-F453 HydrophobicContact CD2-CD1 3.67Å; L448-F453 HydrophobicContact CD2-CD2 3.85Å; L448-F453 HydrophobicContact CD2-CE1 3.71Å; L448-F453 HydrophobicContact CD2-CE2 3.87Å; L448-F453 HydrophobicContact CD2-CG 3.74Å; L448-F453 HydrophobicContact CD2-CZ 3.8Å; L448-F453 WeakPolarHBondContact O-CB 3.27Å; T450-F453 PolarHBondContact O-N 3.11Å; F453-L508 HydrophobicContact CB-CD2 3.57Å; F453-L508 HydrophobicContact CD1-CD2 4.45Å; F453-L508 HydrophobicContact CG-CD2 4.43Å; F453-L508 VanDerWaalsContact O-CD2 3.26Å; F453-L508 WeakPolarHBondContact O-CD2 3.21Å; F453-I513 HydrophobicContact CD1-CD1 3.77Å; F453-I513 HydrophobicContact CE1-CD1 3.53Å; F453-I513 HydrophobicContact CZ-CD1 4.48Å; F453-L660 HydrophobicContact CE1-CB 4.33Å; F453-L660 HydrophobicContact CZ-CB 3.99Å; F453-A664 HydrophobicContact CD2-CB 4.03Å; F453-A664 HydrophobicContact CE2-CB 3.73Å
454A41.1Very low43.1Very low6 Ų628.6 Ų28.65%0.0516%0.155CC..SBendtrans-95.5100.1172.400000110.8Q449 T450 P451 S456 F462Q449-A454 WeakPolarHBondContact O-CB 3.24Å; T450-A454 PolarHBondContact O-N 3Å; P451-A454 CarbonylContact C-O 3.23Å; P451-A454 VanDerWaalsContact C-O 3.23Å; P451-A454 VanDerWaalsContact CA-O 3.26Å; P451-A454 WeakPolarHBondContact CA-O 3.23Å; P451-A454 CarbonylContact O-C 3.56Å; A454-S456 PolarHBondContact O-N 3.38Å; A454-F462 HydrophobicContact CB-CD2 3.51Å; A454-F462 HydrophobicContact CB-CE2 3.43Å; A454-F462 VanDerWaalsContact CB-CE2 3.43Å
455T42.5Very low42.3Very low26 Ų2630.5 Ų30.516%0.1617%0.169CC..  trans13.598.2167580000114.3V457 H458 G459T455-V457 VanDerWaalsContact C-N 3.26Å; T455-V457 PolarHBondContact O-N 3.4Å; T455-H458 CarbonylContact O-C 3.59Å; T455-H458 WeakPolarHBondContact O-CA 3.36Å; T455-H458 PolarHBondContact O-N 3.28Å; T455-G459 PolarHBondContact O-N 2.94Å; T455-G459 VanDerWaalsContact O-N 3.1Å
456S35.2Very low41.6Very low5 Ų533 Ų334%0.03518%0.183CC..THydrogen-bonded Turntrans-47.5-18.4-168.863.40000120.2P451 A454 N499 V502 G503P451-S456 WeakPolarHBondContact O-CA 3.4Å; A454-S456 PolarHBondContact O-N 3.38Å; S456-N499 VanDerWaalsContact CB-C 3.43Å; S456-N499 WeakPolarHBondContact CB-O 3.25Å; S456-N499 WeakPolarHBondContact O-CB 3.44Å; S456-N499 PolarHBondContact O-ND2 2.94Å; S456-N499 PolarHBondContact OG-O 2.88Å; S456-V502 WeakPolarHBondContact CB-O 3.43Å; S456-V502 PolarHBondContact OG-O 3.36Å; S456-G503 PolarHBondContact OG-O 3.23Å
457V35.9Very low40.9Very low58 Ų5833.7 Ų33.735%0.35219%0.186SC..THydrogen-bonded Turntrans-96.5-8.2173.7174.40000111.9T455 T504T455-V457 VanDerWaalsContact C-N 3.26Å; T455-V457 PolarHBondContact O-N 3.4Å; V457-T504 HydrophobicContact CB-CG2 3.72Å; V457-T504 HydrophobicContact CG2-CG2 3.28Å
458H37.9Very low40Very low33 Ų3336.9 Ų36.915%0.15321%0.208CC..THydrogen-bonded Turntrans-139.316.3-172.6-50.8-66.9000114.2T455 Q460 L461 I1349T455-H458 CarbonylContact O-C 3.59Å; T455-H458 WeakPolarHBondContact O-CA 3.36Å; T455-H458 PolarHBondContact O-N 3.28Å; H458-Q460 PolarHBondContact O-N 2.79Å; H458-L461 HydrophobicContact CB-CD1 3.36Å; H458-L461 HydrophobicContact CB-CG 3.73Å; H458-L461 WeakPolarHBondContact O-CB 3.23Å; H458-L461 VanDerWaalsContact O-CD1 3.25Å; H458-L461 WeakPolarHBondContact O-CD1 3.41Å; H458-L461 WeakPolarHBondContact O-CG 3.34Å; H458-L461 PolarHBondContact O-N 3.28Å; H458-I1349 HydrophobicContact CB-CG2 4.25Å
459G34.8Very low39.1Very low6 Ų638.7 Ų38.76%0.06222%0.216CC..G310 helixtrans-55.4-19.3171.600000114.8T455 L461 F462T455-G459 PolarHBondContact O-N 2.94Å; T455-G459 VanDerWaalsContact O-N 3.1Å; G459-L461 PolarHBondContact O-N 3.3Å; G459-F462 PolarHBondContact O-N 3.48Å
460Q37Very low38.4Very low117 Ų11738.7 Ų38.755%0.54722%0.22SC..G310 helixtrans-62.3-12.2167.1-70.2-177.2-10.200114.3H458 F462 N463H458-Q460 PolarHBondContact O-N 2.79Å; Q460-F462 VanDerWaalsContact C-N 3.25Å; Q460-F462 PolarHBondContact O-N 3.3Å; Q460-N463 PolarHBondContact O-N 2.84Å
461L38.6Very low37.5Very low14 Ų1442.1 Ų42.17%0.07324%0.238CC..G310 helixtrans-64.3-32173.6-66.2166.2000111.9H458 G459 N463 I1349 R1353H458-L461 HydrophobicContact CB-CD1 3.36Å; H458-L461 HydrophobicContact CB-CG 3.73Å; H458-L461 WeakPolarHBondContact O-CB 3.23Å; H458-L461 VanDerWaalsContact O-CD1 3.25Å; H458-L461 WeakPolarHBondContact O-CD1 3.41Å; H458-L461 WeakPolarHBondContact O-CG 3.34Å; H458-L461 PolarHBondContact O-N 3.28Å; G459-L461 PolarHBondContact O-N 3.3Å; L461-N463 PolarHBondContact O-N 2.95Å; L461-I1349 HydrophobicContact CD1-CG2 3.8Å; L461-I1349 HydrophobicContact CD2-CG2 3.98Å; L461-I1349 HydrophobicContact CG-CG2 4.44Å; L461-R1353 HydrophobicContact CD2-CG 3.18Å; L461-R1353 HydrophobicContact CG-CG 4.5Å
462F35.1Very low36.9Very low41 Ų4144.5 Ų44.518%0.1824%0.243CC..SBendtrans-8368.9164.7-64-70.8000106.9Q449 A454 G459 Q460 P464 L467Q449-F462 HydrophobicContact CB-CB 4.1Å; Q449-F462 HydrophobicContact CB-CD1 4.23Å; Q449-F462 HydrophobicContact CB-CD2 4.2Å; Q449-F462 HydrophobicContact CB-CG 3.91Å; Q449-F462 HydrophobicContact CG-CD1 3.89Å; Q449-F462 HydrophobicContact CG-CD2 4.43Å; Q449-F462 HydrophobicContact CG-CE1 4.05Å; Q449-F462 HydrophobicContact CG-CG 4.07Å; Q449-F462 HydrophobicContact CG-CZ 4.4Å; A454-F462 HydrophobicContact CB-CD2 3.51Å; A454-F462 HydrophobicContact CB-CE2 3.43Å; A454-F462 VanDerWaalsContact CB-CE2 3.43Å; G459-F462 PolarHBondContact O-N 3.48Å; Q460-F462 VanDerWaalsContact C-N 3.25Å; Q460-F462 PolarHBondContact O-N 3.3Å; F462-P464 WeakPolarHBondContact O-CD 3.49Å; F462-P464 VanDerWaalsContact O-N 3.16Å; F462-L467 HydrophobicContact CB-CD1 3.7Å; F462-L467 HydrophobicContact CD1-CD1 3.86Å; F462-L467 HydrophobicContact CG-CD1 4.19Å
463N35.2Very low36.3Very low62 Ų6248 Ų4833%0.33226%0.256SS..  trans-56.5125.9176.6-150-1.3000106.1Q460 L461 S465 D466 L467Q460-N463 PolarHBondContact O-N 2.84Å; L461-N463 PolarHBondContact O-N 2.95Å; N463-S465 WeakPolarHBondContact CB-OG 3.39Å; N463-S465 PolarHBondContact ND2-OG 3.32Å; N463-S465 PolarHBondContact O-N 3.47Å; N463-D466 HydrophobicContact CB-CB 4.13Å; N463-D466 PolarHBondContact O-N 3.44Å; N463-L467 PolarHBondContact O-N 3.33Å; N463-L467 VanDerWaalsContact O-N 3.16Å
464P34.6Very low35.5Very low36 Ų3653.7 Ų53.723%0.23428%0.278CS..THydrogen-bonded Turntrans-63.7-6.5177.9-1423.8000112.1F462 L467 F469F462-P464 WeakPolarHBondContact O-CD 3.49Å; F462-P464 VanDerWaalsContact O-N 3.16Å; P464-L467 CarbonylContact C-O 3.47Å; P464-F469 VanDerWaalsContact CA-CD2 3.44Å; P464-F469 HydrophobicContact CB-CB 4.41Å; P464-F469 HydrophobicContact CB-CD2 3.61Å; P464-F469 HydrophobicContact CB-CE2 3.94Å; P464-F469 HydrophobicContact CB-CG 4.1Å; P464-F469 WeakPolarHBondContact O-CB 3.29Å; P464-F469 VanDerWaalsContact O-CD2 3.28Å; P464-F469 WeakPolarHBondContact O-CD2 3.39Å
465S35.4Very low35Very low49 Ų4962 Ų6234%0.34332%0.316SS..THydrogen-bonded Turntrans-79.5-30166.953.60000113.8N463 L467 S470N463-S465 WeakPolarHBondContact CB-OG 3.39Å; N463-S465 PolarHBondContact ND2-OG 3.32Å; N463-S465 PolarHBondContact O-N 3.47Å; S465-L467 CarbonylContact C-O 3.47Å; S465-L467 VanDerWaalsContact C-O 3.25Å; S465-S470 PolarHBondContact O-OG 2.94Å; S465-S470 VanDerWaalsContact O-OG 3.13Å
466D35.6Very low34.5Very low98 Ų9863.5 Ų63.552%0.52432%0.32SS..THydrogen-bonded Turntrans-94-34.7-170.6-61.73.9000111.3N463 C468N463-D466 HydrophobicContact CB-CB 4.13Å; N463-D466 PolarHBondContact O-N 3.44Å; D466-C468 PolarHBondContact O-N 2.96Å
467L34.9Very low34.1Very low46 Ų4667 Ų6724%0.24134%0.338CS..THydrogen-bonded Turntrans-68.8127.1147.6-80.6137.2000105.3Q449 F462 N463 P464 S465 F469Q449-L467 HydrophobicContact CB-CD1 4.22Å; Q449-L467 VanDerWaalsContact CD-CD1 3.45Å; Q449-L467 HydrophobicContact CG-CD1 4.24Å; F462-L467 HydrophobicContact CB-CD1 3.7Å; F462-L467 HydrophobicContact CD1-CD1 3.86Å; F462-L467 HydrophobicContact CG-CD1 4.19Å; N463-L467 PolarHBondContact O-N 3.33Å; N463-L467 VanDerWaalsContact O-N 3.16Å; P464-L467 CarbonylContact C-O 3.47Å; S465-L467 CarbonylContact C-O 3.47Å; S465-L467 VanDerWaalsContact C-O 3.25Å; L467-F469 HydrophobicContact CB-CD2 3.63Å; L467-F469 HydrophobicContact CB-CE2 3.63Å; L467-F469 HydrophobicContact CD1-CE2 4.26Å; L467-F469 HydrophobicContact CG-CE2 4.48Å; L467-F469 PolarHBondContact O-N 3.38Å
468C34Very low33.6Very low69 Ų6971.5 Ų71.547%0.46636%0.355SS..THydrogen-bonded Turntrans-53.842.7174.1-70.20000113.7D466 D471 F472D466-C468 PolarHBondContact O-N 2.96Å; C468-D471 HydrophobicContact CB-CB 3.79Å; C468-D471 PolarHBondContact O-N 3.35Å; C468-D471 PolarHBondContact SG-OD2 2.81Å; C468-F472 WeakPolarHBondContact O-CA 3.36Å; C468-F472 WeakPolarHBondContact O-CB 3.33Å; C468-F472 PolarHBondContact O-N 2.95Å
469F32.8Very low33.1Very low41 Ų4175.4 Ų75.418%0.1838%0.377CS..Hα-helixtrans-64.7-36.8162.7-61.3-102000108.8I446 P464 L467 W473 L668I446-F469 HydrophobicContact CB-CE1 4.16Å; I446-F469 HydrophobicContact CB-CZ 3.97Å; I446-F469 HydrophobicContact CD1-CD1 4.23Å; I446-F469 HydrophobicContact CD1-CE1 3.71Å; I446-F469 HydrophobicContact CD1-CZ 4.09Å; I446-F469 HydrophobicContact CG1-CE1 3.71Å; I446-F469 HydrophobicContact CG1-CE2 4.28Å; I446-F469 HydrophobicContact CG1-CZ 3.56Å; I446-F469 HydrophobicContact CG2-CE1 3.46Å; I446-F469 VanDerWaalsContact CG2-CE1 3.46Å; I446-F469 HydrophobicContact CG2-CZ 3.5Å; I446-F469 VanDerWaalsContact CG2-CZ 3.5Å; P464-F469 VanDerWaalsContact CA-CD2 3.44Å; P464-F469 HydrophobicContact CB-CB 4.41Å; P464-F469 HydrophobicContact CB-CD2 3.61Å; P464-F469 HydrophobicContact CB-CE2 3.94Å; P464-F469 HydrophobicContact CB-CG 4.1Å; P464-F469 WeakPolarHBondContact O-CB 3.29Å; P464-F469 VanDerWaalsContact O-CD2 3.28Å; P464-F469 WeakPolarHBondContact O-CD2 3.39Å; L467-F469 HydrophobicContact CB-CD2 3.63Å; L467-F469 HydrophobicContact CB-CE2 3.63Å; L467-F469 HydrophobicContact CD1-CE2 4.26Å; L467-F469 HydrophobicContact CG-CE2 4.48Å; L467-F469 PolarHBondContact O-N 3.38Å; F469-W473 WeakPolarHBondContact O-CB 3.23Å; F469-W473 PolarHBondContact O-N 2.81Å; F469-W473 VanDerWaalsContact O-N 3.13Å; F469-L668 HydrophobicContact CE1-CD1 4.17Å
470S32.3Very low32.7Very low34 Ų3481.5 Ų81.524%0.23841%0.407CS..Hα-helixtrans-54-74.2162.853.90000107.4S465 F472 W473 Y474S465-S470 PolarHBondContact O-OG 2.94Å; S465-S470 VanDerWaalsContact O-OG 3.13Å; S470-F472 VanDerWaalsContact C-N 3.33Å; S470-F472 PolarHBondContact O-N 3.5Å; S470-F472 VanDerWaalsContact O-N 3.12Å; S470-W473 CarbonylContact O-C 3.57Å; S470-W473 PolarHBondContact O-N 3.01Å; S470-W473 VanDerWaalsContact O-N 3.09Å; S470-Y474 WeakPolarHBondContact O-CA 3.49Å; S470-Y474 WeakPolarHBondContact O-CB 3.47Å; S470-Y474 PolarHBondContact O-N 2.9Å
471D32Very low32.2Very low85 Ų8583.2 Ų83.246%0.45542%0.419SS..Hα-helixtrans-61.6-33.3-170.7-55.9-36000115.4C468 W473 H475C468-D471 HydrophobicContact CB-CB 3.79Å; C468-D471 PolarHBondContact O-N 3.35Å; C468-D471 PolarHBondContact SG-OD2 2.81Å; D471-W473 PolarHBondContact O-N 3.43Å; D471-H475 WeakPolarHBondContact O-CB 3.41Å; D471-H475 PolarHBondContact O-N 3.47Å
472F34.5Very low31.7Very low98 Ų9889.2 Ų89.243%0.4345%0.452SS..Hα-helixtrans-67.5-33.2178.9-168.3-95.2000111.9E439 C468 S470E439-F472 HydrophobicContact CG-CZ 4.49Å; C468-F472 WeakPolarHBondContact O-CA 3.36Å; C468-F472 WeakPolarHBondContact O-CB 3.33Å; C468-F472 PolarHBondContact O-N 2.95Å; S470-F472 VanDerWaalsContact C-N 3.33Å; S470-F472 PolarHBondContact O-N 3.5Å; S470-F472 VanDerWaalsContact O-N 3.12Å
473W35Very low31.4Very low79 Ų7995.9 Ų95.930%0.29948%0.483SS..Hα-helixtrans-101.9-24173.1-70102.7000114.2F469 S470 D471 K476 N477 P532F469-W473 WeakPolarHBondContact O-CB 3.23Å; F469-W473 PolarHBondContact O-N 2.81Å; F469-W473 VanDerWaalsContact O-N 3.13Å; S470-W473 CarbonylContact O-C 3.57Å; S470-W473 PolarHBondContact O-N 3.01Å; S470-W473 VanDerWaalsContact O-N 3.09Å; D471-W473 PolarHBondContact O-N 3.43Å; W473-K476 HydrophobicContact CE3-CD 3.91Å; W473-K476 HydrophobicContact CZ3-CD 3.8Å; W473-K476 CarbonylContact O-C 3.44Å; W473-K476 VanDerWaalsContact O-CA 3.31Å; W473-K476 WeakPolarHBondContact O-CA 3.31Å; W473-K476 WeakPolarHBondContact O-CB 3.2Å; W473-K476 PolarHBondContact O-N 3.03Å; W473-N477 PolarHBondContact O-N 2.8Å; W473-P532 HydrophobicContact CH2-CB 3.86Å; W473-P532 HydrophobicContact CH2-CG 4.09Å
474Y31.7Very low30.9Very low124 Ų124101.1 Ų101.149%0.48651%0.506SS..Hα-helixtrans-69.7-40.4175.6-111.2-101000110.9S470 K476 N477S470-Y474 WeakPolarHBondContact O-CA 3.49Å; S470-Y474 WeakPolarHBondContact O-CB 3.47Å; S470-Y474 PolarHBondContact O-N 2.9Å; Y474-K476 PolarHBondContact O-N 2.9Å; Y474-N477 CarbonylContact O-C 3.52Å; Y474-N477 PolarHBondContact O-N 2.79Å
475H29.9Very low30.6Very low182 Ų182108 Ų10884%0.84353%0.532SS*.THydrogen-bonded Turntrans-61-10.9170.2-101.1-66.9000112.4D471D471-H475 WeakPolarHBondContact O-CB 3.41Å; D471-H475 PolarHBondContact O-N 3.47Å
476K32.4Very low30.1Very low57 Ų57113 Ų11325%0.24856%0.555CS.*THydrogen-bonded Turntrans-97.1-18.5175.5-140.1169.4-173.8173.70113.7E260 K263 W473 Y474E260-K476 IonicContact OE1-NZ 2.78Å; E260-K476 PolarHBondContact OE1-NZ 3.43Å; E260-K476 VanDerWaalsContact OE1-NZ 3.13Å; K263-K476 HydrophobicContact CD-CD 4.41Å; K263-K476 HydrophobicContact CD-CG 4.47Å; W473-K476 HydrophobicContact CE3-CD 3.91Å; W473-K476 HydrophobicContact CZ3-CD 3.8Å; W473-K476 CarbonylContact O-C 3.44Å; W473-K476 VanDerWaalsContact O-CA 3.31Å; W473-K476 WeakPolarHBondContact O-CA 3.31Å; W473-K476 WeakPolarHBondContact O-CB 3.2Å; W473-K476 PolarHBondContact O-N 3.03Å; Y474-K476 PolarHBondContact O-N 2.9Å
477N26.8Very low29.6Very low79 Ų79113.6 Ų113.642%0.42256%0.564SS.*SBendtrans-145.2106.5178.4-77.1-53.3000112.1K270 W473 Y474K270-N477 PolarHBondContact NZ-OD1 2.67Å; W473-N477 PolarHBondContact O-N 2.8Å; Y474-N477 CarbonylContact O-C 3.52Å; Y474-N477 PolarHBondContact O-N 2.79Å
478Q25.4Very low29.3Very low151 Ų151113.1 Ų113.171%0.70657%0.571SS**  trans-64.3146.1175.1-75.2175.5-20.600113.5
479N27.3Very low28.9Very low115 Ų115115.9 Ų115.962%0.61558%0.58SS**  trans88.2111149.8-69.1-5.2000119.5
480I27.3Very low28.6Very low134 Ų134119.6 Ų119.669%0.68761%0.607SS**  trans108.4123132.9-66162.2000117.7
481L26Very low28.2Very low153 Ų153123.3 Ų123.380%0.80163%0.628SS**  trans90.976.4163.2-68.8156.5000118.6
482D28.2Very low28Very low141 Ų141123.6 Ų123.675%0.75463%0.626SS**  trans-57.5152.5139.6-74.2-50.5000111.1
483E28.8Very low27.7Very low181 Ų181124.6 Ų124.685%0.84664%0.636SS**  trans69.282.2171.4-57-173.5168.700116.4
484Q23.7Very low27.2Very low172 Ų172129.5 Ų129.580%0.80467%0.665SS**  trans-179.3124.4130.3-102.2168.838.200114.5
485F27.9Very low26.9Very low179 Ų179127.5 Ų127.579%0.78566%0.662SS**  trans76.3120.4155.1-67.3-72.7000121.5P487F485-P487 WeakPolarHBondContact O-CD 3.49Å
486N26.8Very low26.8Very low155 Ų155121.2 Ų121.283%0.82964%0.638SS**  trans-102.398.9163.3-108.5-28.9000109
487P25Very low26.6Very low110 Ų110123.8 Ų123.871%0.71466%0.663SS**  trans-95.22.7170.510.79000113.1F485 L489F485-P487 WeakPolarHBondContact O-CD 3.49Å; P487-L489 PolarHBondContact O-N 3.09Å; P487-L489 VanDerWaalsContact O-N 3.12Å
488G27.4Very low26.8Very low37 Ų37124.7 Ų124.738%0.38166%0.661SS.*THydrogen-bonded Turntrans-722.4-177.400000116.3T490G488-T490 PolarHBondContact O-N 3.22Å
489L26.2Very low27.2Very low126 Ų126119 Ų11966%0.6664%0.635SS**THydrogen-bonded Turntrans-73.6-22.5-170.7-146.486000114.2P487P487-L489 PolarHBondContact O-N 3.09Å; P487-L489 VanDerWaalsContact O-N 3.12Å
490T25.6Very low27.3Very low120 Ų120114.8 Ų114.874%0.73662%0.619SS**THydrogen-bonded Turntrans-93.8-28.6-171.143.50000114.6G488G488-T490 PolarHBondContact O-N 3.22Å
491T25.5Very low27.4Very low112 Ų112109.3 Ų109.369%0.68759%0.594SS**THydrogen-bonded Turntrans-82.6-22.4-179.737.70000113.7
492Q27.7Very low27.8Very low90 Ų90102.7 Ų102.742%0.42156%0.559SS.*G310 helixtrans-82.1-21.5-178.3-86177.3-15.700115M494 L495Q492-M494 PolarHBondContact O-N 3.25Å; Q492-M494 VanDerWaalsContact O-N 3.14Å; Q492-L495 PolarHBondContact O-N 3.05Å; Q492-L495 VanDerWaalsContact O-N 3.08Å
493N26.5Very low28Very low119 Ų11996.1 Ų96.164%0.63653%0.525SS*.G310 helixtrans-63.3-22.1-179.6-77.9-18.2000113.9L495N493-L495 VanDerWaalsContact C-N 3.33Å
494M24.8Very low28.1Very low183 Ų18390 Ų9090%0.90150%0.5SS*.G310 helixtrans-75.5-16.8176.2-96.4-174.216600114.2Q492Q492-M494 PolarHBondContact O-N 3.25Å; Q492-M494 VanDerWaalsContact O-N 3.14Å
495L26.3Very low28.7Very low82 Ų8282.3 Ų82.343%0.42947%0.467SS..G310 helixtrans-92.3-8.1180-75.6159.5000113.3Q492 N493 S497Q492-L495 PolarHBondContact O-N 3.05Å; Q492-L495 VanDerWaalsContact O-N 3.08Å; N493-L495 VanDerWaalsContact C-N 3.33Å; L495-S497 PolarHBondContact O-N 3.1Å
496C27.4Very low29.4Very low50 Ų5074.1 Ų74.134%0.33843%0.433SS..Hα-helixtrans-75.8-14.3-170.1-67.90000115.6W498 G500C496-W498 PolarHBondContact O-N 2.98Å; C496-G500 PolarHBondContact O-N 3.18Å
497S27.7Very low30.4Very low110 Ų11066.9 Ų66.977%0.76939%0.394SS*.Hα-helixtrans-70.7-30.9-173.884.30000113.7L495L495-S497 PolarHBondContact O-N 3.1Å
498W32Very low31.8Very low99 Ų9962.8 Ų62.838%0.37537%0.366SS..Hα-helixtrans-112.3-19.3178.1-14178.7000113.8C496 G500 A501 V502C496-W498 PolarHBondContact O-N 2.98Å; W498-G500 PolarHBondContact O-N 3.3Å; W498-A501 HydrophobicContact CD2-CB 3.75Å; W498-A501 HydrophobicContact CE3-CB 4.42Å; W498-A501 HydrophobicContact CG-CB 3.77Å; W498-A501 HydrophobicContact CZ2-CB 4.34Å; W498-A501 CarbonylContact O-C 3.47Å; W498-A501 VanDerWaalsContact O-CA 3.31Å; W498-A501 WeakPolarHBondContact O-CA 3.4Å; W498-A501 WeakPolarHBondContact O-CB 3.48Å; W498-A501 PolarHBondContact O-N 3.37Å; W498-V502 HydrophobicContact CE3-CG2 3.69Å; W498-V502 HydrophobicContact CZ3-CG2 3.59Å; W498-V502 PolarHBondContact O-N 2.81Å
499N32.9Very low33Very low30 Ų3061 Ų6116%0.1635%0.348CS..Hα-helixtrans-53.1-44.5155-9613.6000108S456 A501 V502 R663S456-N499 VanDerWaalsContact CB-C 3.43Å; S456-N499 WeakPolarHBondContact CB-O 3.25Å; S456-N499 WeakPolarHBondContact O-CB 3.44Å; S456-N499 PolarHBondContact O-ND2 2.94Å; S456-N499 PolarHBondContact OG-O 2.88Å; N499-A501 PolarHBondContact O-N 2.86Å; N499-V502 CarbonylContact O-C 3.54Å; N499-V502 VanDerWaalsContact O-C 3.31Å; N499-V502 WeakPolarHBondContact O-CA 3.44Å; N499-V502 PolarHBondContact O-N 3.03Å; N499-R663 PolarHBondContact OD1-NH2 3.04Å
500G30.1Very low34.3Very low27 Ų2755.3 Ų55.328%0.27832%0.318SS..THydrogen-bonded Turntrans-49.2-30.9168.700000116C496 W498C496-G500 PolarHBondContact O-N 3.18Å; W498-G500 PolarHBondContact O-N 3.3Å
501A30.3Very low35.6Very low20 Ų2051.1 Ų51.117%0.16529%0.293CS..THydrogen-bonded Turntrans-84.5-30.3174.500000113.6W498 N499 G503 Q795W498-A501 HydrophobicContact CD2-CB 3.75Å; W498-A501 HydrophobicContact CE3-CB 4.42Å; W498-A501 HydrophobicContact CG-CB 3.77Å; W498-A501 HydrophobicContact CZ2-CB 4.34Å; W498-A501 CarbonylContact O-C 3.47Å; W498-A501 VanDerWaalsContact O-CA 3.31Å; W498-A501 WeakPolarHBondContact O-CA 3.4Å; W498-A501 WeakPolarHBondContact O-CB 3.48Å; W498-A501 PolarHBondContact O-N 3.37Å; N499-A501 PolarHBondContact O-N 2.86Å; A501-G503 PolarHBondContact O-N 3.28Å; A501-Q795 VanDerWaalsContact O-CD 3.27Å; A501-Q795 PolarHBondContact O-NE2 3.34Å; A501-Q795 PolarHBondContact O-OE1 2.95Å
502V33.6Very low37.3Very low13 Ų1350.1 Ų50.18%0.07928%0.277CS..THydrogen-bonded Turntrans-75.956.4163.6-168.20000109S456 W498 N499S456-V502 WeakPolarHBondContact CB-O 3.43Å; S456-V502 PolarHBondContact OG-O 3.36Å; W498-V502 HydrophobicContact CE3-CG2 3.69Å; W498-V502 HydrophobicContact CZ3-CG2 3.59Å; W498-V502 PolarHBondContact O-N 2.81Å; N499-V502 CarbonylContact O-C 3.54Å; N499-V502 VanDerWaalsContact O-C 3.31Å; N499-V502 WeakPolarHBondContact O-CA 3.44Å; N499-V502 PolarHBondContact O-N 3.03Å
503G31.4Very low39.3Very low3 Ų345.8 Ų45.83%0.03126%0.257CS..THydrogen-bonded Turntrans47.996172.100000116.1S456 A501 G505S456-G503 PolarHBondContact OG-O 3.23Å; A501-G503 PolarHBondContact O-N 3.28Å; G503-G505 PolarHBondContact O-N 2.67Å
504T31.1Very low41.7Very low52 Ų5240.4 Ų40.432%0.31923%0.228SC..SBendtrans-56.6-12.8162.344.40000114.6V457V457-T504 HydrophobicContact CB-CG2 3.72Å; V457-T504 HydrophobicContact CG2-CG2 3.28Å
505G36.2Very low44.3Very low11 Ų1131.9 Ų31.911%0.11319%0.185CC..SBendtrans-158.798.716600000111.1G503 R794 E847G503-G505 PolarHBondContact O-N 2.67Å; G505-R794 PolarHBondContact O-NH1 3.08Å; G505-R794 PolarHBondContact O-NH2 3.22Å; G505-E847 WeakPolarHBondContact CA-OE1 3.38Å; G505-E847 PolarHBondContact N-OE1 2.83Å
506A43.5Very low47.1Very low8 Ų828 Ų287%0.06617%0.165CC..  trans-177.3124.5149.700000111.5R794A506-R794 VanDerWaalsContact CB-CZ 3.41Å
507G48.3Very low49.6Very low2 Ų231.4 Ų31.42%0.02117%0.174CC..  75.891124.600000116.7G790 F952G507-G790 PolarHBondContact O-N 3.15Å; G507-F952 WeakPolarHBondContact CA-O 2.97Å; G507-F952 PolarHBondContact N-O 3.42Å
508L53.9Low52.2Low24 Ų2427.5 Ų27.513%0.12615%0.147CC..BIsolated β-bridgetrans-58.7137.7155.2-75.6168.8000108F453 M510 H951 F952F453-L508 HydrophobicContact CB-CD2 3.57Å; F453-L508 HydrophobicContact CD1-CD2 4.45Å; F453-L508 HydrophobicContact CG-CD2 4.43Å; F453-L508 VanDerWaalsContact O-CD2 3.26Å; F453-L508 WeakPolarHBondContact O-CD2 3.21Å; L508-M510 VanDerWaalsContact C-N 3.31Å; L508-M510 PolarHBondContact O-N 2.93Å; L508-H951 WeakPolarHBondContact O-CA 3.26Å; L508-H951 WeakPolarHBondContact O-CB 3.38Å; L508-F952 HydrophobicContact CB-CB 4.32Å; L508-F952 HydrophobicContact CB-CD1 4.49Å; L508-F952 HydrophobicContact CD1-CD1 4.25Å; L508-F952 PolarHBondContact N-O 3.24Å; L508-F952 PolarHBondContact O-N 3.13Å
509P51.5Low54.7Low1 Ų123 Ų231%0.00613%0.13CC..  trans-64100.21693.59.9000106.6I513 I785P509-I513 HydrophobicContact CB-CD1 4.32Å; P509-I513 HydrophobicContact CB-CG1 3.81Å; P509-I513 HydrophobicContact CG-CD1 3.55Å; P509-I513 HydrophobicContact CG-CG1 3.59Å; P509-I513 VanDerWaalsContact O-CG1 3.3Å; P509-I513 WeakPolarHBondContact O-CG1 3.47Å; P509-I785 WeakPolarHBondContact CB-O 3.36Å
510M55.2Low56.9Low6 Ų623.1 Ų23.13%0.0313%0.13CC..  trans-122.8145.3-173.2-115.3-154.1159.400108.6I421 M422 L508 R512 F952 F1364I421-M510 HydrophobicContact CB-CE 3.69Å; I421-M510 HydrophobicContact CD1-CG 4.07Å; I421-M510 HydrophobicContact CG2-CE 3.68Å; M422-M510 HydrophobicContact CE-CE 3.44Å; M422-M510 VanDerWaalsContact CE-CE 3.44Å; M422-M510 HydrophobicContact CE-SD 3.34Å; M422-M510 WeakPolarHBondContact CE-SD 3.41Å; M422-M510 HydrophobicContact CG-CE 3.58Å; M422-M510 HydrophobicContact CG-SD 4.43Å; M422-M510 HydrophobicContact SD-CE 4.11Å; L508-M510 VanDerWaalsContact C-N 3.31Å; L508-M510 PolarHBondContact O-N 2.93Å; M510-R512 VanDerWaalsContact C-N 3.34Å; M510-F952 HydrophobicContact CB-CB 3.56Å; M510-F952 HydrophobicContact CG-CB 3.79Å; M510-F952 HydrophobicContact CG-CG 4.49Å; M510-F952 HydrophobicContact SD-CB 3.55Å; M510-F952 VanDerWaalsContact SD-CB 3.55Å; M510-F952 HydrophobicContact SD-CD1 4.26Å; M510-F952 HydrophobicContact SD-CD2 4.02Å; M510-F952 HydrophobicContact SD-CG 3.69Å; M510-F1364 HydrophobicContact CE-CD1 3.38Å; M510-F1364 HydrophobicContact CE-CE1 3.17Å; M510-F1364 HydrophobicContact CE-CG 4.22Å; M510-F1364 HydrophobicContact CE-CZ 3.88Å; M510-F1364 HydrophobicContact SD-CD1 3.59Å; M510-F1364 VanDerWaalsContact SD-CD1 3.59Å; M510-F1364 HydrophobicContact SD-CE1 3.6Å; M510-F1364 VanDerWaalsContact SD-CE1 3.6Å
511P51.8Low59.1Low32 Ų3223.9 Ų23.921%0.20813%0.133CC..SBendcis-81.8-9.99.1-4.121.6000113.9I421 M422 F1404I421-P511 PolarHBondContact N-O 2.83Å; M422-P511 HydrophobicContact CG-CB 4.33Å; P511-F1404 HydrophobicContact CG-CB 4.18Å; P511-F1404 HydrophobicContact CG-CD1 4.44Å
512R62.1Low61.6Low90 Ų9022.9 Ų22.934%0.3413%0.125SC..EExtended strand (participates in β ladder)trans-139.3128.4-165-69.1166.1-175.8178.42.2112.4A418 I419 D420 M510 Y514A418-R512 HydrophobicContact CB-CB 4.15Å; A418-R512 HydrophobicContact CB-CG 4.12Å; I419-R512 VanDerWaalsContact O-CA 3.26Å; I419-R512 WeakPolarHBondContact O-CA 3.31Å; D420-R512 HydrophobicContact CB-CG 4.27Å; D420-R512 IonicContact OD2-CZ 3.98Å; D420-R512 IonicContact OD2-NE 3.44Å; D420-R512 PolarHBondContact OD2-NE 3.49Å; D420-R512 IonicContact OD2-NH2 2.66Å; D420-R512 PolarHBondContact OD2-NH2 2.88Å; M510-R512 VanDerWaalsContact C-N 3.34Å; R512-Y514 HydrophobicContact CB-CE2 4.41Å
513I69.9Low63.9Low0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-99.2133164.5-50.4-173.6000107.7I419 I421 L448 F453 P509 I515 S657I419-I513 PolarHBondContact N-O 2.97Å; I419-I513 PolarHBondContact O-N 3.19Å; I421-I513 HydrophobicContact CD1-CG1 4.43Å; L448-I513 HydrophobicContact CD2-CD1 3.47Å; L448-I513 VanDerWaalsContact CD2-CD1 3.47Å; F453-I513 HydrophobicContact CD1-CD1 3.77Å; F453-I513 HydrophobicContact CE1-CD1 3.53Å; F453-I513 HydrophobicContact CZ-CD1 4.48Å; P509-I513 HydrophobicContact CB-CD1 4.32Å; P509-I513 HydrophobicContact CB-CG1 3.81Å; P509-I513 HydrophobicContact CG-CD1 3.55Å; P509-I513 HydrophobicContact CG-CG1 3.59Å; P509-I513 VanDerWaalsContact O-CG1 3.3Å; P509-I513 WeakPolarHBondContact O-CG1 3.47Å; I513-I515 HydrophobicContact CG2-CG1 4.09Å; I513-S657 VanDerWaalsContact CG2-OG 3.31Å; I513-S657 WeakPolarHBondContact CG2-OG 3.16Å
514Y75.5Confident65.8Low6 Ų622.5 Ų22.52%0.02412%0.123CC..EExtended strand (participates in β ladder)trans-93.5121.4173-71.2-91.4000110.3P416 T417 A418 R512 S657 L744 P745 Q786P416-Y514 HydrophobicContact CB-CD1 4.05Å; P416-Y514 HydrophobicContact CB-CG 4.46Å; T417-Y514 WeakPolarHBondContact O-CA 3.26Å; A418-Y514 HydrophobicContact CB-CD1 4.03Å; A418-Y514 HydrophobicContact CB-CE1 3.56Å; R512-Y514 HydrophobicContact CB-CE2 4.41Å; Y514-S657 VanDerWaalsContact O-CB 3.27Å; Y514-S657 WeakPolarHBondContact O-CB 3.17Å; Y514-S657 PolarHBondContact O-OG 3.31Å; Y514-L744 HydrophobicContact CD1-CD2 3.77Å; Y514-L744 HydrophobicContact CD2-CD2 3.41Å; Y514-L744 VanDerWaalsContact CD2-CD2 3.41Å; Y514-L744 HydrophobicContact CE1-CD2 3.96Å; Y514-L744 HydrophobicContact CE2-CD2 3.63Å; Y514-L744 HydrophobicContact CG-CD2 3.46Å; Y514-L744 VanDerWaalsContact CG-CD2 3.46Å; Y514-P745 HydrophobicContact CE1-CG 3.67Å; Y514-P745 WeakPolarHBondContact OH-CD 3.16Å; Y514-Q786 HydrophobicContact CD2-CB 3.94Å; Y514-Q786 HydrophobicContact CE2-CB 4.19Å; Y514-Q786 PolarHBondContact N-O 3.34Å
515I80.1Confident68.1Low3 Ų320.1 Ų20.12%0.01511%0.108CC..EExtended strand (participates in β ladder)trans-123.1148.9176.3-56.2179.7000107.7P416 T417 I419 I513 K517 L519 D658 S661P416-I515 WeakPolarHBondContact CA-O 3.35Å; T417-I515 PolarHBondContact N-O 3.19Å; T417-I515 PolarHBondContact O-N 3.19Å; T417-I515 PolarHBondContact OG1-O 2.92Å; I419-I515 HydrophobicContact CD1-CB 4.12Å; I419-I515 HydrophobicContact CD1-CD1 3.3Å; I419-I515 HydrophobicContact CD1-CG1 3.76Å; I513-I515 HydrophobicContact CG2-CG1 4.09Å; I515-K517 PolarHBondContact O-N 2.85Å; I515-L519 HydrophobicContact CG2-CB 4.14Å; I515-L519 HydrophobicContact CG2-CD2 3.77Å; I515-L519 HydrophobicContact CG2-CG 4.03Å; I515-D658 VanDerWaalsContact CG2-OD1 3.27Å; I515-D658 WeakPolarHBondContact CG2-OD1 3.23Å; I515-S661 WeakPolarHBondContact CD1-OG 3.05Å
516S84.2Confident70.3Confident0 Ų019.6 Ų19.60%010%0.103CC..EExtended strand (participates in β ladder)trans-58131.5172-63.40000111.2Q411 G413 C414 S518 L519 Q520 D658Q411-S516 WeakPolarHBondContact O-CB 3.33Å; G413-S516 PolarHBondContact N-OG 2.82Å; C414-S516 PolarHBondContact N-OG 2.81Å; C414-S516 VanDerWaalsContact N-OG 3.11Å; C414-S516 WeakPolarHBondContact O-CA 3.48Å; C414-S516 WeakPolarHBondContact O-CB 3.33Å; C414-S516 PolarHBondContact O-OG 3.36Å; S516-S518 PolarHBondContact O-N 3.43Å; S516-L519 PolarHBondContact O-N 3.31Å; S516-L519 VanDerWaalsContact O-N 3.08Å; S516-Q520 PolarHBondContact O-N 2.94Å; S516-D658 WeakPolarHBondContact CB-OD1 3.37Å; S516-D658 WeakPolarHBondContact CB-OD2 3.44Å; S516-D658 PolarHBondContact N-OD1 3.28Å; S516-D658 PolarHBondContact OG-OD1 2.98Å; S516-D658 PolarHBondContact OG-OD2 3.11Å
517K80.4Confident71.8Confident122 Ų12219.9 Ų19.953%0.5310%0.103SC..Hα-helixtrans-56.1-35.3-178-174.3178.7179.1-179.50113.7N415 T417 I515 Q520 A521N415-K517 PolarHBondContact O-N 3.49Å; T417-K517 HydrophobicContact CG2-CB 3.92Å; T417-K517 HydrophobicContact CG2-CD 4.27Å; T417-K517 HydrophobicContact CG2-CG 4.09Å; I515-K517 PolarHBondContact O-N 2.85Å; K517-Q520 WeakPolarHBondContact O-CB 3.46Å; K517-Q520 PolarHBondContact O-N 3.12Å; K517-A521 PolarHBondContact O-N 3.36Å; K517-A521 VanDerWaalsContact O-N 3.08Å
518S82.5Confident72.7Confident29 Ų2921 Ų2120%0.20311%0.107CC..Hα-helixtrans-62.5-48.6176.651.40000111.2Q409 Q411 S516 A521 F522Q409-S518 VanDerWaalsContact O-CB 3.23Å; Q409-S518 WeakPolarHBondContact O-CB 3.33Å; Q411-S518 PolarHBondContact N-OG 2.69Å; Q411-S518 PolarHBondContact O-OG 2.89Å; S516-S518 PolarHBondContact O-N 3.43Å; S518-A521 PolarHBondContact O-N 3.35Å; S518-F522 PolarHBondContact O-N 2.82Å
519L84Confident73.5Confident4 Ų419.9 Ų19.92%0.02110%0.101CC..Hα-helixtrans-65.7-41.1177.1177.160.2000111.4L410 I515 S516 A521 F522 I523 D658 L662L410-L519 HydrophobicContact CD2-CB 4.42Å; L410-L519 HydrophobicContact CD2-CD1 4.18Å; I515-L519 HydrophobicContact CG2-CB 4.14Å; I515-L519 HydrophobicContact CG2-CD2 3.77Å; I515-L519 HydrophobicContact CG2-CG 4.03Å; S516-L519 PolarHBondContact O-N 3.31Å; S516-L519 VanDerWaalsContact O-N 3.08Å; L519-A521 VanDerWaalsContact C-N 3.28Å; L519-A521 PolarHBondContact O-N 3.31Å; L519-F522 HydrophobicContact CD1-CD1 4.23Å; L519-F522 PolarHBondContact O-N 3.31Å; L519-F522 VanDerWaalsContact O-N 3.16Å; L519-I523 HydrophobicContact CD1-CD1 4.02Å; L519-I523 HydrophobicContact CD1-CG1 4.05Å; L519-I523 HydrophobicContact CD2-CD1 4.5Å; L519-I523 HydrophobicContact CG-CD1 3.91Å; L519-I523 HydrophobicContact CG-CG1 4.38Å; L519-I523 WeakPolarHBondContact O-CG1 3.31Å; L519-I523 PolarHBondContact O-N 2.67Å; L519-D658 HydrophobicContact CD2-CB 3.45Å; L519-D658 VanDerWaalsContact CD2-CB 3.45Å; L519-D658 VanDerWaalsContact CD2-O 3.28Å; L519-D658 WeakPolarHBondContact CD2-O 3.35Å; L519-L662 HydrophobicContact CD1-CD1 4.12Å; L519-L662 HydrophobicContact CD1-CD2 3.41Å; L519-L662 VanDerWaalsContact CD1-CD2 3.41Å; L519-L662 HydrophobicContact CD1-CG 3.62Å; L519-L662 HydrophobicContact CD2-CG 4.19Å
520Q78.5Confident74.8Confident33 Ų3320 Ų2015%0.15410%0.102CC..Hα-helixtrans-54.5-45.8174.9-174.8-178.417.500111.5T417 Y440 S516 K517 A524T417-Q520 PolarHBondContact OG1-OE1 2.85Å; Y440-Q520 WeakPolarHBondContact OH-CG 3.15Å; Y440-Q520 PolarHBondContact OH-NE2 3.23Å; S516-Q520 PolarHBondContact O-N 2.94Å; K517-Q520 WeakPolarHBondContact O-CB 3.46Å; K517-Q520 PolarHBondContact O-N 3.12Å; Q520-A524 PolarHBondContact O-N 3.4Å; Q520-A524 VanDerWaalsContact O-N 3.11Å
521A76.9Confident75.9Confident42 Ų4220.2 Ų20.235%0.34710%0.104SC..Hα-helixtrans-68.5-38.3177.100000112.7Y406 K517 S518 L519 A524 F525Y406-A521 HydrophobicContact CE1-CB 4.3Å; K517-A521 PolarHBondContact O-N 3.36Å; K517-A521 VanDerWaalsContact O-N 3.08Å; S518-A521 PolarHBondContact O-N 3.35Å; L519-A521 VanDerWaalsContact C-N 3.28Å; L519-A521 PolarHBondContact O-N 3.31Å; A521-A524 WeakPolarHBondContact O-CB 3.49Å; A521-A524 PolarHBondContact O-N 2.91Å; A521-F525 WeakPolarHBondContact O-CB 3.31Å; A521-F525 PolarHBondContact O-N 2.97Å
522F83.8Confident76.8Confident0 Ų019.1 Ų19.10%010%0.096CC..Hα-helixtrans-63-45.9175.3176.6-99.9000112.1L403 L410 S518 L519 A524 F525 N526 L593 I596 L597 L662 L665L403-F522 HydrophobicContact CD1-CE2 3.99Å; L410-F522 HydrophobicContact CD1-CD1 4.34Å; L410-F522 HydrophobicContact CD1-CD2 3.96Å; L410-F522 HydrophobicContact CD1-CE1 4.45Å; L410-F522 HydrophobicContact CD1-CE2 4.08Å; L410-F522 HydrophobicContact CD1-CG 4.1Å; L410-F522 HydrophobicContact CD1-CZ 4.32Å; L410-F522 HydrophobicContact CD2-CB 3.51Å; L410-F522 HydrophobicContact CD2-CD1 4.18Å; L410-F522 HydrophobicContact CD2-CD2 4.25Å; L410-F522 HydrophobicContact CD2-CG 3.74Å; L410-F522 HydrophobicContact CG-CB 4.39Å; L410-F522 HydrophobicContact CG-CD2 4.3Å; L410-F522 HydrophobicContact CG-CG 4.29Å; S518-F522 PolarHBondContact O-N 2.82Å; L519-F522 HydrophobicContact CD1-CD1 4.23Å; L519-F522 PolarHBondContact O-N 3.31Å; L519-F522 VanDerWaalsContact O-N 3.16Å; F522-A524 VanDerWaalsContact C-N 3.32Å; F522-A524 PolarHBondContact O-N 3.1Å; F522-F525 PolarHBondContact O-N 3.38Å; F522-N526 WeakPolarHBondContact CD1-ND2 3.41Å; F522-N526 WeakPolarHBondContact CE1-ND2 3.44Å; F522-N526 VanDerWaalsContact CE2-ND2 3.33Å; F522-N526 WeakPolarHBondContact CE2-ND2 3.31Å; F522-N526 WeakPolarHBondContact CZ-ND2 3.42Å; F522-N526 PolarHBondContact O-N 3.1Å; F522-N526 PolarHBondContact O-ND2 3.39Å; F522-L593 HydrophobicContact CZ-CD1 4.22Å; F522-I596 HydrophobicContact CE2-CG2 4.37Å; F522-I596 HydrophobicContact CZ-CG2 4.02Å; F522-L597 HydrophobicContact CE1-CD2 4.17Å; F522-L662 HydrophobicContact CD1-CD2 4.34Å; F522-L662 HydrophobicContact CE1-CD2 4.17Å; F522-L665 HydrophobicContact CD1-CD2 4.5Å; F522-L665 HydrophobicContact CE1-CD2 4.09Å
523I80.4Confident77.2Confident4 Ų415.1 Ų15.12%0.0218%0.081CC..Hα-helixtrans-61.1-43.8176.2-68.2170.6000110.4L447 L519 F525 N526 L527 L665L447-I523 HydrophobicContact CD1-CG2 3.6Å; L519-I523 HydrophobicContact CD1-CD1 4.02Å; L519-I523 HydrophobicContact CD1-CG1 4.05Å; L519-I523 HydrophobicContact CD2-CD1 4.5Å; L519-I523 HydrophobicContact CG-CD1 3.91Å; L519-I523 HydrophobicContact CG-CG1 4.38Å; L519-I523 WeakPolarHBondContact O-CG1 3.31Å; L519-I523 PolarHBondContact O-N 2.67Å; I523-F525 PolarHBondContact O-N 3.15Å; I523-N526 PolarHBondContact O-N 3.3Å; I523-L527 HydrophobicContact CG2-CD1 3.97Å; I523-L527 HydrophobicContact CG2-CG 4.49Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 2.95Å; I523-L665 HydrophobicContact CG1-CD2 4.29Å
524A71.9Confident77.4Confident4 Ų415.4 Ų15.43%0.0338%0.083CC..Hα-helixtrans-55.5-51.4175.800000111.5Y440 Q520 A521 F522 N526 L527 E528Y440-A524 HydrophobicContact CD2-CB 3.69Å; Y440-A524 HydrophobicContact CE2-CB 3.33Å; Q520-A524 PolarHBondContact O-N 3.4Å; Q520-A524 VanDerWaalsContact O-N 3.11Å; A521-A524 WeakPolarHBondContact O-CB 3.49Å; A521-A524 PolarHBondContact O-N 2.91Å; F522-A524 VanDerWaalsContact C-N 3.32Å; F522-A524 PolarHBondContact O-N 3.1Å; A524-N526 VanDerWaalsContact C-N 3.33Å; A524-N526 PolarHBondContact O-N 3.4Å; A524-L527 PolarHBondContact O-N 3.36Å; A524-E528 VanDerWaalsContact O-CB 3.28Å; A524-E528 WeakPolarHBondContact O-CB 3.26Å; A524-E528 WeakPolarHBondContact O-CG 3.08Å; A524-E528 PolarHBondContact O-N 3.05Å
525F80.1Confident77.2Confident1 Ų116.2 Ų16.20%0.0049%0.088CC..Hα-helixtrans-58.4-45.1179.2173-96.8000111.9L255 L403 Y406 A521 F522 I523 I529 L530L255-F525 HydrophobicContact CD1-CE2 3.72Å; L403-F525 HydrophobicContact CB-CE1 4.23Å; L403-F525 HydrophobicContact CD1-CE1 4.01Å; Y406-F525 HydrophobicContact CD1-CB 4.5Å; Y406-F525 HydrophobicContact CD2-CB 4.35Å; Y406-F525 HydrophobicContact CD2-CD1 4.15Å; Y406-F525 AromaticContact CD2-CD2 3.69Å; Y406-F525 HydrophobicContact CD2-CD2 3.69Å; Y406-F525 HydrophobicContact CD2-CE1 4.4Å; Y406-F525 AromaticContact CD2-CE2 3.95Å; Y406-F525 HydrophobicContact CD2-CE2 3.95Å; Y406-F525 AromaticContact CD2-CG 3.8Å; Y406-F525 HydrophobicContact CD2-CG 3.8Å; Y406-F525 HydrophobicContact CD2-CZ 4.3Å; Y406-F525 HydrophobicContact CE1-CB 4.44Å; Y406-F525 HydrophobicContact CE2-CB 4.32Å; Y406-F525 AromaticContact CE2-CD2 3.42Å; Y406-F525 HydrophobicContact CE2-CD2 3.42Å; Y406-F525 VanDerWaalsContact CE2-CD2 3.42Å; Y406-F525 AromaticContact CE2-CE2 3.83Å; Y406-F525 HydrophobicContact CE2-CE2 3.83Å; Y406-F525 AromaticContact CE2-CG 3.91Å; Y406-F525 HydrophobicContact CE2-CG 3.91Å; Y406-F525 HydrophobicContact CG-CB 4.46Å; Y406-F525 HydrophobicContact CG-CG 4.27Å; A521-F525 WeakPolarHBondContact O-CB 3.31Å; A521-F525 PolarHBondContact O-N 2.97Å; F522-F525 PolarHBondContact O-N 3.38Å; I523-F525 PolarHBondContact O-N 3.15Å; F525-I529 HydrophobicContact CD2-CB 4.36Å; F525-I529 HydrophobicContact CD2-CD1 3.87Å; F525-I529 HydrophobicContact CE2-CB 4.45Å; F525-I529 HydrophobicContact CE2-CD1 4.29Å; F525-I529 HydrophobicContact CE2-CG2 4.27Å; F525-I529 WeakPolarHBondContact O-CB 3.48Å; F525-I529 PolarHBondContact O-N 2.97Å; F525-I529 VanDerWaalsContact O-N 3.09Å; F525-L530 HydrophobicContact CE1-CB 4.17Å; F525-L530 HydrophobicContact CE1-CD1 4.39Å; F525-L530 PolarHBondContact O-N 3.38Å
526N81.8Confident76.6Confident1 Ų117.4 Ų17.41%0.0059%0.094CC..Iπ-helixtrans-63.5-44.7-179.4-81.7-80.5000112.3F522 I523 A524 L530 L531 L593 L665F522-N526 WeakPolarHBondContact CD1-ND2 3.41Å; F522-N526 WeakPolarHBondContact CE1-ND2 3.44Å; F522-N526 VanDerWaalsContact CE2-ND2 3.33Å; F522-N526 WeakPolarHBondContact CE2-ND2 3.31Å; F522-N526 WeakPolarHBondContact CZ-ND2 3.42Å; F522-N526 PolarHBondContact O-N 3.1Å; F522-N526 PolarHBondContact O-ND2 3.39Å; I523-N526 PolarHBondContact O-N 3.3Å; A524-N526 VanDerWaalsContact C-N 3.33Å; A524-N526 PolarHBondContact O-N 3.4Å; N526-L530 WeakPolarHBondContact OD1-CD2 3.49Å; N526-L531 WeakPolarHBondContact O-CB 3.29Å; N526-L531 PolarHBondContact O-N 3.2Å; N526-L593 WeakPolarHBondContact OD1-CD1 3.23Å; N526-L665 HydrophobicContact CB-CD1 4.27Å; N526-L665 HydrophobicContact CB-CD2 4.29Å
527L75.2Confident75.8Confident13 Ų1317.9 Ų17.97%0.06810%0.096CC..Iπ-helixtrans-79.9-40.4-176.1-63.9-179.9000113.4C443 L447 I523 A524 L531 P532 L665 L668C443-L527 HydrophobicContact CB-CB 4.27Å; C443-L527 HydrophobicContact CB-CD1 3.95Å; L447-L527 HydrophobicContact CD1-CD1 3.91Å; I523-L527 HydrophobicContact CG2-CD1 3.97Å; I523-L527 HydrophobicContact CG2-CG 4.49Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 2.95Å; A524-L527 PolarHBondContact O-N 3.36Å; L527-L531 HydrophobicContact CD2-CD2 4.47Å; L527-P532 WeakPolarHBondContact O-CD 3.36Å; L527-L665 HydrophobicContact CD2-CD1 3.67Å; L527-L665 HydrophobicContact CG-CD1 4Å; L527-L668 HydrophobicContact CD1-CD2 4.13Å; L527-L668 HydrophobicContact CD2-CD2 3.56Å
528E67.2Low75.3Confident25 Ų2512.5 Ų12.512%0.1177%0.073CC..Iπ-helixtrans-82.6-28.1-175.5-66.5-174.9177.500113.3R256 Y440 A524R256-E528 IonicContact CZ-OE2 2.67Å; R256-E528 IonicContact NE-OE2 2.78Å; R256-E528 IonicContact NH2-OE1 3.51Å; R256-E528 IonicContact NH2-OE2 2.77Å; R256-E528 PolarHBondContact NH2-OE2 3.45Å; Y440-E528 VanDerWaalsContact CA-OE1 3.27Å; Y440-E528 WeakPolarHBondContact CA-OE1 2.97Å; Y440-E528 VanDerWaalsContact CB-OE1 3.22Å; Y440-E528 WeakPolarHBondContact CB-OE1 3.28Å; A524-E528 VanDerWaalsContact O-CB 3.28Å; A524-E528 WeakPolarHBondContact O-CB 3.26Å; A524-E528 WeakPolarHBondContact O-CG 3.08Å; A524-E528 PolarHBondContact O-N 3.05Å
529I70.3Confident74.4Confident1 Ų114 Ų141%0.0058%0.077CC..Iπ-helixtrans-123.6-62.2-168-57.6174.1000111.2L252 L255 R256 N259 F525 L531 P532 M533L252-I529 HydrophobicContact CD1-CD1 3.54Å; L252-I529 HydrophobicContact CD2-CD1 4.41Å; L252-I529 HydrophobicContact CG-CD1 3.51Å; L255-I529 HydrophobicContact CB-CD1 4.18Å; L255-I529 HydrophobicContact CB-CG2 3.61Å; L255-I529 HydrophobicContact CD1-CD1 4.4Å; L255-I529 HydrophobicContact CD1-CG2 4.04Å; L255-I529 HydrophobicContact CG-CG2 4.28Å; R256-I529 HydrophobicContact CG-CG1 4.42Å; N259-I529 PolarHBondContact ND2-O 3.32Å; F525-I529 HydrophobicContact CD2-CB 4.36Å; F525-I529 HydrophobicContact CD2-CD1 3.87Å; F525-I529 HydrophobicContact CE2-CB 4.45Å; F525-I529 HydrophobicContact CE2-CD1 4.29Å; F525-I529 HydrophobicContact CE2-CG2 4.27Å; F525-I529 WeakPolarHBondContact O-CB 3.48Å; F525-I529 PolarHBondContact O-N 2.97Å; F525-I529 VanDerWaalsContact O-N 3.09Å; I529-L531 PolarHBondContact O-N 3.45Å; I529-P532 WeakPolarHBondContact O-CD 3.49Å; I529-M533 WeakPolarHBondContact O-CB 3.26Å; I529-M533 PolarHBondContact O-N 2.84Å
530L79.9Confident73.4Confident4 Ų415.1 Ų15.12%0.0218%0.084CC..Iπ-helixtrans-63.1-49.8-169.8-171.171000111.1L403 F525 N526 M533 I534 V589 L593L403-L530 HydrophobicContact CD1-CD2 4.12Å; L403-L530 HydrophobicContact CD2-CD2 4.38Å; F525-L530 HydrophobicContact CE1-CB 4.17Å; F525-L530 HydrophobicContact CE1-CD1 4.39Å; F525-L530 PolarHBondContact O-N 3.38Å; N526-L530 WeakPolarHBondContact OD1-CD2 3.49Å; L530-M533 PolarHBondContact O-N 2.99Å; L530-I534 HydrophobicContact CD1-CD1 4.37Å; L530-I534 HydrophobicContact CD2-CD1 4.34Å; L530-I534 HydrophobicContact CG-CD1 3.84Å; L530-I534 HydrophobicContact CG-CG1 4.49Å; L530-I534 VanDerWaalsContact O-CG1 3.31Å; L530-I534 WeakPolarHBondContact O-CG1 3.16Å; L530-I534 PolarHBondContact O-N 2.77Å; L530-V589 HydrophobicContact CD1-CG1 3.78Å; L530-L593 HydrophobicContact CD2-CD1 4.14Å; L530-L593 HydrophobicContact CD2-CD2 3.86Å; L530-L593 HydrophobicContact CD2-CG 4.44Å
531L78Confident72.7Confident11 Ų1114.1 Ų14.16%0.0588%0.08CC..Hα-helixtrans-61.4-55.4-177.4173.468.9000112.1N526 L527 I529 M533 I534 L535 L669 I672 F673N526-L531 WeakPolarHBondContact O-CB 3.29Å; N526-L531 PolarHBondContact O-N 3.2Å; L527-L531 HydrophobicContact CD2-CD2 4.47Å; I529-L531 PolarHBondContact O-N 3.45Å; L531-M533 PolarHBondContact O-N 3.37Å; L531-I534 PolarHBondContact O-N 2.7Å; L531-I534 VanDerWaalsContact O-N 3.15Å; L531-L535 HydrophobicContact CD1-CD1 3.99Å; L531-L535 HydrophobicContact CD1-CG 4.17Å; L531-L535 HydrophobicContact CG-CD1 3.98Å; L531-L535 VanDerWaalsContact O-CG 3.31Å; L531-L535 WeakPolarHBondContact O-CG 3.33Å; L531-L535 PolarHBondContact O-N 2.9Å; L531-L669 HydrophobicContact CB-CD2 4.5Å; L531-L669 HydrophobicContact CD1-CD2 3.91Å; L531-L669 HydrophobicContact CD2-CD2 4.3Å; L531-L669 HydrophobicContact CG-CD2 4.47Å; L531-I672 HydrophobicContact CD1-CG2 4.15Å; L531-I672 HydrophobicContact CD2-CD1 3.49Å; L531-I672 VanDerWaalsContact CD2-CD1 3.49Å; L531-I672 HydrophobicContact CD2-CG2 4.46Å; L531-F673 HydrophobicContact CD1-CE2 4.48Å; L531-F673 HydrophobicContact CD1-CZ 4.44Å
532P69.9Low72Confident9 Ų913.6 Ų13.66%0.0587%0.07CC..Hα-helixtrans-64.8-27.6179.2-0.54000113.2N259 W473 L527 I529 N536N259-P532 VanDerWaalsContact ND2-CB 3.34Å; N259-P532 WeakPolarHBondContact ND2-CB 3.31Å; W473-P532 HydrophobicContact CH2-CB 3.86Å; W473-P532 HydrophobicContact CH2-CG 4.09Å; L527-P532 WeakPolarHBondContact O-CD 3.36Å; I529-P532 WeakPolarHBondContact O-CD 3.49Å; P532-N536 VanDerWaalsContact O-CB 3.3Å; P532-N536 WeakPolarHBondContact O-CB 3Å; P532-N536 PolarHBondContact O-N 2.46Å; P532-N536 PolarHBondContact O-ND2 3.43Å; P532-N536 VanDerWaalsContact O-ND2 3.08Å
533M71.1Confident70.8Confident5 Ų514.7 Ų14.73%0.0258%0.076CC..Hα-helixtrans-66.1-47172.7-175.4179.7-70.200111.7L255 I258 N259 L262 T399 I529 L530 L531 L535 N536 L537L255-M533 HydrophobicContact CD2-CE 3.94Å; I258-M533 HydrophobicContact CG2-CE 4.02Å; N259-M533 PolarHBondContact OD1-N 2.95Å; L262-M533 HydrophobicContact CD1-CG 4.04Å; T399-M533 HydrophobicContact CG2-CE 3.66Å; T399-M533 HydrophobicContact CG2-SD 3.2Å; T399-M533 WeakPolarHBondContact CG2-SD 3.41Å; I529-M533 WeakPolarHBondContact O-CB 3.26Å; I529-M533 PolarHBondContact O-N 2.84Å; L530-M533 PolarHBondContact O-N 2.99Å; L531-M533 PolarHBondContact O-N 3.37Å; M533-L535 VanDerWaalsContact C-N 3.3Å; M533-L535 PolarHBondContact O-N 3.06Å; M533-N536 PolarHBondContact O-N 2.95Å; M533-L537 HydrophobicContact CG-CD1 3.98Å; M533-L537 HydrophobicContact CG-CG 4.4Å; M533-L537 WeakPolarHBondContact O-CB 3.49Å; M533-L537 VanDerWaalsContact O-CG 3.26Å; M533-L537 WeakPolarHBondContact O-CG 3.32Å; M533-L537 PolarHBondContact O-N 3.32Å
534I74Confident69.9Low7 Ų715.7 Ų15.74%0.0368%0.081CC..Hα-helixtrans-57.3-46.4175.5-70.8167.9000110.1L530 L531 L537 L538 I586 V589 I590 F673L530-I534 HydrophobicContact CD1-CD1 4.37Å; L530-I534 HydrophobicContact CD2-CD1 4.34Å; L530-I534 HydrophobicContact CG-CD1 3.84Å; L530-I534 HydrophobicContact CG-CG1 4.49Å; L530-I534 VanDerWaalsContact O-CG1 3.31Å; L530-I534 WeakPolarHBondContact O-CG1 3.16Å; L530-I534 PolarHBondContact O-N 2.77Å; L531-I534 PolarHBondContact O-N 2.7Å; L531-I534 VanDerWaalsContact O-N 3.15Å; I534-L537 PolarHBondContact O-N 3.39Å; I534-L538 HydrophobicContact CG2-CD1 3.83Å; I534-L538 HydrophobicContact CG2-CG 4.34Å; I534-L538 WeakPolarHBondContact O-CB 3.39Å; I534-L538 VanDerWaalsContact O-CG 3.29Å; I534-L538 WeakPolarHBondContact O-CG 3.33Å; I534-L538 PolarHBondContact O-N 3.35Å; I534-I586 HydrophobicContact CG2-CG2 4.3Å; I534-V589 HydrophobicContact CD1-CG1 4.17Å; I534-V589 HydrophobicContact CG1-CG1 4.42Å; I534-I590 HydrophobicContact CD1-CG1 4.25Å; I534-I590 HydrophobicContact CG2-CD1 4.23Å; I534-I590 HydrophobicContact CG2-CG1 4.49Å; I534-F673 HydrophobicContact CG2-CE1 4.2Å; I534-F673 HydrophobicContact CG2-CZ 4.1Å
535L71.3Confident69.3Low23 Ų2320.1 Ų20.112%0.1210%0.101CC..Hα-helixtrans-63.7-43.1-180-65.5170.9000112.3L531 M533 L538 Q539 I672 E676L531-L535 HydrophobicContact CD1-CD1 3.99Å; L531-L535 HydrophobicContact CD1-CG 4.17Å; L531-L535 HydrophobicContact CG-CD1 3.98Å; L531-L535 VanDerWaalsContact O-CG 3.31Å; L531-L535 WeakPolarHBondContact O-CG 3.33Å; L531-L535 PolarHBondContact O-N 2.9Å; M533-L535 VanDerWaalsContact C-N 3.3Å; M533-L535 PolarHBondContact O-N 3.06Å; L535-L538 PolarHBondContact O-N 3.41Å; L535-Q539 WeakPolarHBondContact O-CB 3.22Å; L535-Q539 PolarHBondContact O-N 3.01Å; L535-I672 HydrophobicContact CD1-CG2 4.32Å; L535-E676 WeakPolarHBondContact CD1-OE2 3.27Å; L535-E676 WeakPolarHBondContact CD2-OE2 3.35Å
536N66.9Low68.2Low27 Ų2724.2 Ų24.214%0.14412%0.12CC..Hα-helixtrans-64-42.2176-77.1-35.1000111.8N259 L262 P532 M533 Q539 T540N259-N536 PolarHBondContact OD1-ND2 3.05Å; L262-N536 HydrophobicContact CB-CB 4.15Å; P532-N536 VanDerWaalsContact O-CB 3.3Å; P532-N536 WeakPolarHBondContact O-CB 3Å; P532-N536 PolarHBondContact O-N 2.46Å; P532-N536 PolarHBondContact O-ND2 3.43Å; P532-N536 VanDerWaalsContact O-ND2 3.08Å; M533-N536 PolarHBondContact O-N 2.95Å; N536-Q539 PolarHBondContact O-N 2.76Å; N536-T540 WeakPolarHBondContact O-CG2 3.44Å; N536-T540 PolarHBondContact O-N 2.96Å; N536-T540 PolarHBondContact O-OG1 3.14Å
537L68.6Low66.9Low10 Ų1026 Ų265%0.05213%0.133CC..Hα-helixtrans-64.6-44.8177.4-72.1171.4000111.6M392 I396 M533 I534 Q539 T540 E541 I586M392-L537 HydrophobicContact SD-CD2 4.17Å; I396-L537 HydrophobicContact CD1-CD1 4.25Å; I396-L537 HydrophobicContact CG1-CD1 3.91Å; M533-L537 HydrophobicContact CG-CD1 3.98Å; M533-L537 HydrophobicContact CG-CG 4.4Å; M533-L537 WeakPolarHBondContact O-CB 3.49Å; M533-L537 VanDerWaalsContact O-CG 3.26Å; M533-L537 WeakPolarHBondContact O-CG 3.32Å; M533-L537 PolarHBondContact O-N 3.32Å; I534-L537 PolarHBondContact O-N 3.39Å; L537-Q539 VanDerWaalsContact C-N 3.31Å; L537-Q539 PolarHBondContact O-N 3.33Å; L537-T540 WeakPolarHBondContact CA-OG1 3.15Å; L537-T540 PolarHBondContact O-N 3.1Å; L537-T540 PolarHBondContact O-OG1 3.15Å; L537-E541 PolarHBondContact O-N 2.85Å; L537-I586 HydrophobicContact CB-CD1 3.71Å; L537-I586 HydrophobicContact CB-CG1 4.1Å; L537-I586 HydrophobicContact CD1-CG1 4.39Å
538L68.4Low65.8Low9 Ų930.3 Ų30.35%0.04715%0.151CC..Hα-helixtrans-58.9-43.6174.2-73.9171.7000111.3I534 L535 T540 E541 I542 I586 F673 F684I534-L538 HydrophobicContact CG2-CD1 3.83Å; I534-L538 HydrophobicContact CG2-CG 4.34Å; I534-L538 WeakPolarHBondContact O-CB 3.39Å; I534-L538 VanDerWaalsContact O-CG 3.29Å; I534-L538 WeakPolarHBondContact O-CG 3.33Å; I534-L538 PolarHBondContact O-N 3.35Å; L535-L538 PolarHBondContact O-N 3.41Å; L538-T540 PolarHBondContact O-N 3.01Å; L538-E541 PolarHBondContact O-N 3.45Å; L538-I542 WeakPolarHBondContact O-CD1 3.47Å; L538-I542 VanDerWaalsContact O-CG1 3.25Å; L538-I542 WeakPolarHBondContact O-CG1 3.5Å; L538-I542 PolarHBondContact O-N 2.94Å; L538-I586 HydrophobicContact CD2-CD1 4.27Å; L538-I586 HydrophobicContact CD2-CG2 4.04Å; L538-I586 HydrophobicContact CG-CG2 4.25Å; L538-F673 HydrophobicContact CD1-CE1 4.36Å; L538-F684 HydrophobicContact CD2-CE1 4.19Å; L538-F684 HydrophobicContact CD2-CE2 4.08Å; L538-F684 HydrophobicContact CD2-CZ 3.5Å; L538-F684 VanDerWaalsContact CD2-CZ 3.5Å
539Q64.6Low65.1Low62 Ų6232 Ų3229%0.2917%0.165SC..Hα-helixtrans-62.9-40.4177.1-172.362.952.300112.3L535 N536 L537 E541 I542 N543L535-Q539 WeakPolarHBondContact O-CB 3.22Å; L535-Q539 PolarHBondContact O-N 3.01Å; N536-Q539 PolarHBondContact O-N 2.76Å; L537-Q539 VanDerWaalsContact C-N 3.31Å; L537-Q539 PolarHBondContact O-N 3.33Å; Q539-E541 VanDerWaalsContact C-N 3.32Å; Q539-E541 PolarHBondContact O-N 3.39Å; Q539-I542 PolarHBondContact O-N 3.19Å; Q539-N543 PolarHBondContact NE2-OD1 3.13Å; Q539-N543 VanDerWaalsContact NE2-OD1 3.12Å; Q539-N543 PolarHBondContact O-N 3.22Å; Q539-N543 VanDerWaalsContact O-N 3.1Å; Q539-N543 PolarHBondContact O-ND2 2.87Å; Q539-N543 PolarHBondContact O-OD1 3.41Å
540T63.1Low64.1Low26 Ų2635.8 Ų35.816%0.1618%0.183CC..Hα-helixtrans-63.7-38.8176.752.70000112.1N536 L537 L538 N543 E544N536-T540 WeakPolarHBondContact O-CG2 3.44Å; N536-T540 PolarHBondContact O-N 2.96Å; N536-T540 PolarHBondContact O-OG1 3.14Å; L537-T540 WeakPolarHBondContact CA-OG1 3.15Å; L537-T540 PolarHBondContact O-N 3.1Å; L537-T540 PolarHBondContact O-OG1 3.15Å; L538-T540 PolarHBondContact O-N 3.01Å; T540-N543 PolarHBondContact O-N 3.38Å; T540-E544 PolarHBondContact O-N 2.59Å; T540-E544 VanDerWaalsContact O-N 3.09Å
541E63.6Low62.6Low13 Ų1337.6 Ų37.66%0.06120%0.196CC..Hα-helixtrans-67.3-43.5177.6-167.8-173.3163.300111.9L537 L538 Q539 N543 E544 Q545 R583L537-E541 PolarHBondContact O-N 2.85Å; L538-E541 PolarHBondContact O-N 3.45Å; Q539-E541 VanDerWaalsContact C-N 3.32Å; Q539-E541 PolarHBondContact O-N 3.39Å; E541-N543 VanDerWaalsContact C-N 3.26Å; E541-N543 PolarHBondContact O-N 3.4Å; E541-E544 PolarHBondContact O-N 3.3Å; E541-E544 VanDerWaalsContact O-N 3.1Å; E541-Q545 PolarHBondContact O-N 2.91Å; E541-Q545 PolarHBondContact OE1-NE2 3.4Å; E541-Q545 VanDerWaalsContact OE1-NE2 3.12Å; E541-R583 VanDerWaalsContact OE1-CB 3.28Å; E541-R583 WeakPolarHBondContact OE1-CB 3.18Å; E541-R583 WeakPolarHBondContact OE1-CD 3.46Å; E541-R583 WeakPolarHBondContact OE1-CG 3.4Å
542I62.5Low61Low30 Ų3041.1 Ų41.115%0.15422%0.215CC..Hα-helixtrans-58.2-43.1176.5-67.9158.3000110.4L538 Q539 E544 Q545 Q546 P680L538-I542 WeakPolarHBondContact O-CD1 3.47Å; L538-I542 VanDerWaalsContact O-CG1 3.25Å; L538-I542 WeakPolarHBondContact O-CG1 3.5Å; L538-I542 PolarHBondContact O-N 2.94Å; Q539-I542 PolarHBondContact O-N 3.19Å; I542-E544 VanDerWaalsContact C-N 3.33Å; I542-E544 PolarHBondContact O-N 2.84Å; I542-Q545 PolarHBondContact O-N 3.23Å; I542-Q546 HydrophobicContact CG2-CG 4.48Å; I542-Q546 WeakPolarHBondContact O-CB 3.47Å; I542-Q546 WeakPolarHBondContact O-CG 3.36Å; I542-Q546 PolarHBondContact O-N 2.92Å; I542-P680 HydrophobicContact CD1-CB 3.79Å; I542-P680 HydrophobicContact CD1-CG 3.28Å; I542-P680 HydrophobicContact CG1-CB 4.15Å; I542-P680 HydrophobicContact CG1-CG 3.97Å
543N58.9Low59.9Low23 Ų2346.3 Ų46.312%0.12324%0.242CC..Hα-helixtrans-63.6-39.7177.9-66.6-16.5000111.4Q539 T540 E541 S547Q539-N543 PolarHBondContact NE2-OD1 3.13Å; Q539-N543 VanDerWaalsContact NE2-OD1 3.12Å; Q539-N543 PolarHBondContact O-N 3.22Å; Q539-N543 VanDerWaalsContact O-N 3.1Å; Q539-N543 PolarHBondContact O-ND2 2.87Å; Q539-N543 PolarHBondContact O-OD1 3.41Å; T540-N543 PolarHBondContact O-N 3.38Å; E541-N543 VanDerWaalsContact C-N 3.26Å; E541-N543 PolarHBondContact O-N 3.4Å; N543-S547 PolarHBondContact O-N 3.41Å; N543-S547 VanDerWaalsContact O-N 3.1Å
544E60.2Low58.5Low26 Ų2650.9 Ų50.912%0.12126%0.259CS..Hα-helixtrans-65.9-45.1176.1-164.4-174153.400111.5K389 T540 E541 I542 S547 K548K389-E544 VanDerWaalsContact CE-OE1 3.32Å; K389-E544 WeakPolarHBondContact CE-OE1 3.4Å; K389-E544 IonicContact NZ-OE1 2.83Å; K389-E544 PolarHBondContact NZ-OE1 3.4Å; K389-E544 IonicContact NZ-OE2 3.98Å; T540-E544 PolarHBondContact O-N 2.59Å; T540-E544 VanDerWaalsContact O-N 3.09Å; E541-E544 PolarHBondContact O-N 3.3Å; E541-E544 VanDerWaalsContact O-N 3.1Å; I542-E544 VanDerWaalsContact C-N 3.33Å; I542-E544 PolarHBondContact O-N 2.84Å; E544-S547 PolarHBondContact O-N 3.08Å; E544-S547 PolarHBondContact O-OG 2.91Å; E544-K548 PolarHBondContact O-N 3.28Å; E544-K548 VanDerWaalsContact O-N 3.08Å; E544-K548 IonicContact OE1-NZ 2.71Å; E544-K548 PolarHBondContact OE1-NZ 3.26Å; E544-K548 VanDerWaalsContact OE1-NZ 3.08Å
545Q60.2Low56.9Low96 Ų9657.2 Ų57.245%0.44929%0.289SS..Hα-helixtrans-64.4-43.1178.4-71.2-174.66.200112.3E541 I542 S547 K548 S549E541-Q545 PolarHBondContact O-N 2.91Å; E541-Q545 PolarHBondContact OE1-NE2 3.4Å; E541-Q545 VanDerWaalsContact OE1-NE2 3.12Å; I542-Q545 PolarHBondContact O-N 3.23Å; Q545-S547 VanDerWaalsContact C-N 3.26Å; Q545-S547 PolarHBondContact O-N 3.48Å; Q545-K548 PolarHBondContact O-N 3.46Å; Q545-S549 PolarHBondContact O-N 3.01Å; Q545-S549 PolarHBondContact O-OG 3.37Å
546Q57.3Low55.5Low88 Ų8861.5 Ų61.541%0.41131%0.312SS..Hα-helixtrans-59.9-39.4174.7-75.1-178.1-0.100111.4I542 S549 Q550I542-Q546 HydrophobicContact CG2-CG 4.48Å; I542-Q546 WeakPolarHBondContact O-CB 3.47Å; I542-Q546 WeakPolarHBondContact O-CG 3.36Å; I542-Q546 PolarHBondContact O-N 2.92Å; Q546-S549 PolarHBondContact O-N 2.93Å; Q546-S549 PolarHBondContact O-OG 3.28Å; Q546-Q550 WeakPolarHBondContact O-CG 3.28Å; Q546-Q550 PolarHBondContact O-N 3.23Å
547S53.5Low54.2Low39 Ų3963.9 Ų63.927%0.27333%0.33SS..Hα-helixtrans-64.2-42.3177.572.90000112.7N543 E544 Q545 Q550 S551N543-S547 PolarHBondContact O-N 3.41Å; N543-S547 VanDerWaalsContact O-N 3.1Å; E544-S547 PolarHBondContact O-N 3.08Å; E544-S547 PolarHBondContact O-OG 2.91Å; Q545-S547 VanDerWaalsContact C-N 3.26Å; Q545-S547 PolarHBondContact O-N 3.48Å; S547-Q550 PolarHBondContact O-N 3.3Å; S547-S551 PolarHBondContact O-N 2.99Å; S547-S551 VanDerWaalsContact O-N 3.17Å
548K52.9Low53.1Low103 Ų10369.5 Ų69.545%0.44836%0.36SS..Hα-helixtrans-65.4-43.3175.9-71.9178.5-177.4169.20112.7E544 Q545 Q550 S551 D552E544-K548 PolarHBondContact O-N 3.28Å; E544-K548 VanDerWaalsContact O-N 3.08Å; E544-K548 IonicContact OE1-NZ 2.71Å; E544-K548 PolarHBondContact OE1-NZ 3.26Å; E544-K548 VanDerWaalsContact OE1-NZ 3.08Å; Q545-K548 PolarHBondContact O-N 3.46Å; K548-Q550 PolarHBondContact O-N 2.69Å; K548-S551 WeakPolarHBondContact CA-OG 3.22Å; K548-S551 PolarHBondContact O-N 3.09Å; K548-S551 PolarHBondContact O-OG 2.88Å; K548-D552 VanDerWaalsContact O-CG 3.28Å; K548-D552 PolarHBondContact O-N 3.05Å
549S53Low51.4Low59 Ų5975 Ų7541%0.41339%0.39SS..Hα-helixtrans-62.4-31.417868.60000112.9Q545 Q546 N553Q545-S549 PolarHBondContact O-N 3.01Å; Q545-S549 PolarHBondContact O-OG 3.37Å; Q546-S549 PolarHBondContact O-N 2.93Å; Q546-S549 PolarHBondContact O-OG 3.28Å; S549-N553 VanDerWaalsContact O-CG 3.28Å; S549-N553 PolarHBondContact O-N 3.03Å; S549-N553 PolarHBondContact O-ND2 2.93Å; S549-N553 VanDerWaalsContact O-ND2 3.16Å
550Q48.8Very low49.9Very low81 Ų8179.2 Ų79.238%0.37941%0.414SS..Hα-helixtrans-76.6-33.5176.9-74.2-178.2-28.500112.8Q546 S547 K548Q546-Q550 WeakPolarHBondContact O-CG 3.28Å; Q546-Q550 PolarHBondContact O-N 3.23Å; S547-Q550 PolarHBondContact O-N 3.3Å; K548-Q550 PolarHBondContact O-N 2.69Å
551S47.8Very low48.6Very low42 Ų4287.8 Ų87.829%0.29445%0.45SS..Hα-helixtrans-69-45.4173.256.60000111.8S547 K548 N553 R554 E555S547-S551 PolarHBondContact O-N 2.99Å; S547-S551 VanDerWaalsContact O-N 3.17Å; K548-S551 WeakPolarHBondContact CA-OG 3.22Å; K548-S551 PolarHBondContact O-N 3.09Å; K548-S551 PolarHBondContact O-OG 2.88Å; S551-N553 VanDerWaalsContact C-N 3.34Å; S551-N553 PolarHBondContact O-N 3.29Å; S551-R554 PolarHBondContact O-N 3.41Å; S551-E555 PolarHBondContact O-N 3.05Å
552D43.7Very low47.2Very low85 Ų8596.1 Ų96.146%0.45549%0.489SS..Hα-helixtrans-65.6-37.9-175.3-66.2-5.7000111.9K548 R554 E555 N556K548-D552 VanDerWaalsContact O-CG 3.28Å; K548-D552 PolarHBondContact O-N 3.05Å; D552-R554 VanDerWaalsContact C-N 3.26Å; D552-R554 PolarHBondContact O-N 2.89Å; D552-E555 PolarHBondContact O-N 3.29Å; D552-N556 WeakPolarHBondContact O-CB 3.47Å; D552-N556 PolarHBondContact O-N 3.27Å
553N47.3Very low45.7Very low119 Ų119104.2 Ų104.264%0.63652%0.523SS*.Hα-helixtrans-64.2-29.9175-76.2-22000112.7S549 S551 S557S549-N553 VanDerWaalsContact O-CG 3.28Å; S549-N553 PolarHBondContact O-N 3.03Å; S549-N553 PolarHBondContact O-ND2 2.93Å; S549-N553 VanDerWaalsContact O-ND2 3.16Å; S551-N553 VanDerWaalsContact C-N 3.34Å; S551-N553 PolarHBondContact O-N 3.29Å; N553-S557 WeakPolarHBondContact O-CB 3.3Å; N553-S557 PolarHBondContact O-N 2.99Å
554R41.9Very low44.4Very low100 Ų100108.2 Ų108.238%0.37755%0.553SS.*Hα-helixtrans-78.4-39.4175.5-80.6-173.4176.2-154.42.4112.1S551 D552 S557S551-R554 PolarHBondContact O-N 3.41Å; D552-R554 VanDerWaalsContact C-N 3.26Å; D552-R554 PolarHBondContact O-N 2.89Å; R554-S557 PolarHBondContact O-N 2.96Å; R554-S557 PolarHBondContact O-OG 3.13Å
555E39.6Very low43.1Very low141 Ų141114.4 Ų114.466%0.65959%0.587SS**Hα-helixtrans-66.7-40.7177.1-69.2-163.616000112.2S551 D552 S557 N558S551-E555 PolarHBondContact O-N 3.05Å; D552-E555 PolarHBondContact O-N 3.29Å; E555-S557 VanDerWaalsContact C-N 3.31Å; E555-S557 PolarHBondContact O-N 3.43Å; E555-N558 PolarHBondContact O-N 3.1Å
556N42.3Very low41.8Very low112 Ų112117.4 Ų117.460%0.59961%0.606SS**Hα-helixtrans-71.8-24177.5-76.5-21.9000113.5D552 N558 N559D552-N556 WeakPolarHBondContact O-CB 3.47Å; D552-N556 PolarHBondContact O-N 3.27Å; N556-N558 PolarHBondContact O-N 3.44Å; N556-N558 VanDerWaalsContact O-N 3.14Å; N556-N559 PolarHBondContact O-N 3.47Å; N556-N559 VanDerWaalsContact O-N 3.09Å
557S40.7Very low40.6Very low77 Ų77119.9 Ų119.954%0.53862%0.622SS.*THydrogen-bonded Turntrans-65.3-14.2175.273.50000114.3N553 R554 E555N553-S557 WeakPolarHBondContact O-CB 3.3Å; N553-S557 PolarHBondContact O-N 2.99Å; R554-S557 PolarHBondContact O-N 2.96Å; R554-S557 PolarHBondContact O-OG 3.13Å; E555-S557 VanDerWaalsContact C-N 3.31Å; E555-S557 PolarHBondContact O-N 3.43Å
558N44Very low39.6Very low128 Ų128126.3 Ų126.368%0.68465%0.652SS**THydrogen-bonded Turntrans-98.2-2.8174.3-80.1-36.8000114.4E555 N556E555-N558 PolarHBondContact O-N 3.1Å; N556-N558 PolarHBondContact O-N 3.44Å; N556-N558 VanDerWaalsContact O-N 3.14Å
559N34Very low38.8Very low125 Ų125129 Ų12967%0.66867%0.672SS**  trans-115.778.3175.7-72.3-24000109.7N556 F561N556-N559 PolarHBondContact O-N 3.47Å; N556-N559 VanDerWaalsContact O-N 3.09Å; N559-F561 VanDerWaalsContact C-N 3.34Å; N559-F561 PolarHBondContact O-N 3.18Å
560N33.7Very low37.6Very low150 Ų150132.3 Ų132.380%0.80269%0.685SS**  trans-61.895.8163.7-76.7-27.2000109.5
561F34.7Very low36.8Very low207 Ų207140.1 Ų140.191%0.90871%0.711SS**  trans-144.6118.1151.4-100.6-78.6000109.8N559N559-F561 VanDerWaalsContact C-N 3.34Å; N559-F561 PolarHBondContact O-N 3.18Å
562E35.3Very low35.9Very low188 Ų188146.4 Ų146.488%0.87974%0.735SS**  trans-51.6129.9173.8-64.3169.2143.300112
563K30.4Very low35.1Very low199 Ų199153.1 Ų153.187%0.86576%0.756SS**  trans-172.3108.4135.2-105.7167.2-176.2-179.90112.9
564S30.4Very low34.2Very low107 Ų107152.4 Ų152.475%0.74876%0.756SS**  trans35.7113.9146.557.50000120.1D566S564-D566 PolarHBondContact O-N 2.86Å
565D33.6Very low33.6Very low157 Ų157155 Ų15584%0.8478%0.777SS**SBendtrans-49121.6153.4-57.8-57.4000111.1
566D34.1Very low33.3Very low158 Ų158153.6 Ų153.685%0.84578%0.775SS**  trans-177.3-4.2145.7-100.2-17.6000115.7S564S564-D566 PolarHBondContact O-N 2.86Å
567D31.9Very low33Very low140 Ų140156.6 Ų156.675%0.74979%0.79SS**  trans-97.316.5-172.1-97.3-21.4000117.2N569D567-N569 PolarHBondContact O-N 3.47Å
568L32.5Very low32.9Very low175 Ų175160 Ų16092%0.91680%0.802SS**THydrogen-bonded Turntrans-71.9-8.4-179.2-94.8162.9000115.3
569N34.5Very low32.8Very low160 Ų160159.8 Ų159.886%0.85680%0.801SS**THydrogen-bonded Turntrans-101.1-3.3-178.3-78.9-28000115.7D567D567-N569 PolarHBondContact O-N 3.47Å
570N28.9Very low33.7Very low128 Ų128158.5 Ų158.568%0.68479%0.794SS**  trans-119.320.9-170.4-86.6-15.8000116.4Q572N570-Q572 PolarHBondContact O-N 3.09Å
571R31.5Very low35Very low245 Ų245153.4 Ų153.493%0.92577%0.77SS**  trans-69.686163.7-83-171.1-176.4-179.72.8109.8
572Q28.6Very low36.5Very low173 Ų173143.7 Ų143.781%0.80873%0.727SS**  trans-54.6133.5161.3-88.9174.5-24.700109.2N570 T574N570-Q572 PolarHBondContact O-N 3.09Å; Q572-T574 PolarHBondContact O-N 3.46Å
573Y28Very low38Very low226 Ų226138.3 Ų138.389%0.88670%0.699SS**  trans-49.1103.7170.8-81.6-98000109.9
574T27.7Very low39.7Very low105 Ų105132.3 Ų132.364%0.64468%0.68SS**  trans-91.4119.9162.252.70000106.8Q572 N576Q572-T574 PolarHBondContact O-N 3.46Å; T574-N576 PolarHBondContact O-N 2.77Å
575D29.3Very low41.5Very low153 Ų153128 Ų12882%0.81865%0.649SS**  trans-63.355.7177.2-71.7-36.5000112.8L577D575-L577 PolarHBondContact O-N 3.16Å; D575-L577 VanDerWaalsContact O-N 3.15Å
576N33Very low43.3Very low113 Ų113120.7 Ų120.760%0.60461%0.61SS**  trans-80.494.5166.7-76.7-12.9000106.6T574 N578 D579T574-N576 PolarHBondContact O-N 2.77Å; N576-N578 PolarHBondContact O-N 3.01Å; N576-D579 PolarHBondContact O-N 3.12Å
577L35.6Very low45.2Very low174 Ų174115.9 Ų115.991%0.91158%0.581SS**THydrogen-bonded Turntrans-55-1.3169.4-82.5159.6000114.4D575D575-L577 PolarHBondContact O-N 3.16Å; D575-L577 VanDerWaalsContact O-N 3.15Å
578N38.7Very low47.4Very low148 Ų148113 Ų11379%0.79156%0.563SS**THydrogen-bonded Turntrans-94.69.3171.4-70.9-11.6000113.6N576 D580N576-N578 PolarHBondContact O-N 3.01Å; N578-D580 PolarHBondContact O-N 2.89Å
579D42.3Very low49.7Very low124 Ų124104.9 Ų104.966%0.66352%0.521SS*.  trans-72.1103.6177.1-135.8-1.6000109.8N576 S581N576-D579 PolarHBondContact O-N 3.12Å; D579-S581 PolarHBondContact O-N 3.19Å
580D53.8Low51.9Low99 Ų9997.5 Ų97.553%0.52948%0.481SS..  trans-65.825.5-173.6-82.4-35.4000115.2K389 N578K389-D580 HydrophobicContact CD-CB 4.27Å; K389-D580 WeakPolarHBondContact CD-O 3.39Å; K389-D580 WeakPolarHBondContact CE-O 3.14Å; K389-D580 PolarHBondContact NZ-O 2.91Å; N578-D580 PolarHBondContact O-N 2.89Å
581S60.9Low54.3Low43 Ų4393.5 Ų93.530%0.30146%0.462SS..  trans-88.3141.6-179.775.10000111.8D579 R583 P584D579-S581 PolarHBondContact O-N 3.19Å; S581-R583 VanDerWaalsContact C-N 3.29Å; S581-P584 WeakPolarHBondContact O-CD 3.3Å; S581-P584 WeakPolarHBondContact O-CG 3.34Å; S581-P584 WeakPolarHBondContact OG-CD 3.46Å
582L65.2Low56.7Low2 Ų282.5 Ų82.51%0.0142%0.422CS..SBendtrans-80-17.3172.9-67.4163.4000112.4M392 I396 L585 I586M392-L582 HydrophobicContact CB-CD1 4.36Å; M392-L582 HydrophobicContact CB-CD2 3.57Å; M392-L582 HydrophobicContact CE-CD1 3.38Å; M392-L582 HydrophobicContact CG-CD1 4.49Å; M392-L582 HydrophobicContact SD-CD1 3.38Å; M392-L582 WeakPolarHBondContact SD-CD1 3.32Å; M392-L582 HydrophobicContact SD-CD2 4.38Å; I396-L582 HydrophobicContact CD1-CD2 4.26Å; L582-L585 PolarHBondContact O-N 2.94Å; L582-I586 HydrophobicContact CB-CD1 4.38Å; L582-I586 PolarHBondContact O-N 3.43Å
583R66.7Low59.4Low76 Ų7674.4 Ų74.429%0.28738%0.384SS..Hα-helixtrans-46.8-51179.1-144.5173.8-175.4176.13.9114.3E541 S581 L585 I586 F587 S683 F684E541-R583 VanDerWaalsContact OE1-CB 3.28Å; E541-R583 WeakPolarHBondContact OE1-CB 3.18Å; E541-R583 WeakPolarHBondContact OE1-CD 3.46Å; E541-R583 WeakPolarHBondContact OE1-CG 3.4Å; S581-R583 VanDerWaalsContact C-N 3.29Å; R583-L585 VanDerWaalsContact C-N 3.26Å; R583-L585 PolarHBondContact O-N 3.43Å; R583-I586 PolarHBondContact O-N 3.41Å; R583-F587 WeakPolarHBondContact O-CB 3.48Å; R583-F587 PolarHBondContact O-N 3.45Å; R583-S683 PolarHBondContact NH2-OG 2.82Å; R583-S683 VanDerWaalsContact NH2-OG 3.15Å; R583-F684 HydrophobicContact CG-CE1 3.79Å; R583-F684 HydrophobicContact CG-CZ 3.96Å; R583-F684 VanDerWaalsContact NE-CZ 3.32Å
584P67.4Low62Low72 Ų7264 Ų6447%0.46834%0.344SS..Hα-helixtrans-61.9-32.718021.6-33.4000112.9S581 F587 E588S581-P584 WeakPolarHBondContact O-CD 3.3Å; S581-P584 WeakPolarHBondContact O-CG 3.34Å; S581-P584 WeakPolarHBondContact OG-CD 3.46Å; P584-F587 WeakPolarHBondContact O-CB 3.28Å; P584-E588 WeakPolarHBondContact O-CB 3.31Å; P584-E588 PolarHBondContact O-N 3.06Å
585L66.8Low64.6Low18 Ų1860.9 Ų60.99%0.09433%0.325CS..Hα-helixtrans-78.7-41.3-180-75.1164.1000112.4K393 I396 L582 R583 F587 E588 V589K393-L585 HydrophobicContact CB-CD1 4.03Å; K393-L585 HydrophobicContact CD-CD1 4.11Å; K393-L585 HydrophobicContact CG-CD1 3.49Å; K393-L585 VanDerWaalsContact CG-CD1 3.49Å; I396-L585 HydrophobicContact CB-CB 4.38Å; I396-L585 HydrophobicContact CD1-CB 3.73Å; I396-L585 HydrophobicContact CD1-CD1 4.42Å; I396-L585 HydrophobicContact CG2-CB 3.8Å; I396-L585 HydrophobicContact CG2-CD2 4.39Å; L582-L585 PolarHBondContact O-N 2.94Å; R583-L585 VanDerWaalsContact C-N 3.26Å; R583-L585 PolarHBondContact O-N 3.43Å; L585-F587 PolarHBondContact O-N 3.32Å; L585-E588 WeakPolarHBondContact O-CB 3.2Å; L585-E588 PolarHBondContact O-N 3.5Å; L585-E588 VanDerWaalsContact O-N 3.16Å; L585-V589 PolarHBondContact O-N 2.79Å
586I72.1Confident67.2Low2 Ų253.6 Ų53.61%0.0129%0.286CS..Hα-helixtrans-60.3-39.8170.6-61.5168.9000109.5I396 I534 L537 L538 L582 R583 E588 V589 I590I396-I586 HydrophobicContact CD1-CG1 4.32Å; I534-I586 HydrophobicContact CG2-CG2 4.3Å; L537-I586 HydrophobicContact CB-CD1 3.71Å; L537-I586 HydrophobicContact CB-CG1 4.1Å; L537-I586 HydrophobicContact CD1-CG1 4.39Å; L538-I586 HydrophobicContact CD2-CD1 4.27Å; L538-I586 HydrophobicContact CD2-CG2 4.04Å; L538-I586 HydrophobicContact CG-CG2 4.25Å; L582-I586 HydrophobicContact CB-CD1 4.38Å; L582-I586 PolarHBondContact O-N 3.43Å; R583-I586 PolarHBondContact O-N 3.41Å; I586-E588 VanDerWaalsContact C-N 3.34Å; I586-V589 PolarHBondContact O-N 3.28Å; I586-I590 HydrophobicContact CG2-CD1 4.04Å; I586-I590 WeakPolarHBondContact O-CG1 3.47Å; I586-I590 PolarHBondContact O-N 2.9Å
587F74.3Confident69.6Low58 Ų5848.2 Ų48.225%0.25426%0.257SS..Hα-helixtrans-63.9-38.8175.4-171.2-90.6000112R583 P584 L585 I590 T591 F686R583-F587 WeakPolarHBondContact O-CB 3.48Å; R583-F587 PolarHBondContact O-N 3.45Å; P584-F587 WeakPolarHBondContact O-CB 3.28Å; L585-F587 PolarHBondContact O-N 3.32Å; F587-I590 PolarHBondContact O-N 3.34Å; F587-T591 WeakPolarHBondContact CD1-OG1 3.49Å; F587-T591 WeakPolarHBondContact CE1-OG1 3.26Å; F587-T591 VanDerWaalsContact O-CB 3.25Å; F587-T591 WeakPolarHBondContact O-CB 3.41Å; F587-T591 PolarHBondContact O-N 3.43Å; F587-T591 PolarHBondContact O-OG1 2.87Å; F587-F686 HydrophobicContact CD1-CZ 4.34Å; F587-F686 HydrophobicContact CD2-CD2 4.14Å; F587-F686 AromaticContact CD2-CE2 3.71Å; F587-F686 HydrophobicContact CD2-CE2 3.71Å; F587-F686 AromaticContact CD2-CZ 3.96Å; F587-F686 HydrophobicContact CD2-CZ 3.96Å; F587-F686 HydrophobicContact CE1-CD1 4.17Å; F587-F686 AromaticContact CE1-CE1 3.69Å; F587-F686 HydrophobicContact CE1-CE1 3.69Å; F587-F686 HydrophobicContact CE1-CE2 4.46Å; F587-F686 AromaticContact CE1-CZ 3.85Å; F587-F686 HydrophobicContact CE1-CZ 3.85Å; F587-F686 HydrophobicContact CE2-CB 4.47Å; F587-F686 AromaticContact CE2-CD1 3.8Å; F587-F686 HydrophobicContact CE2-CD1 3.8Å; F587-F686 AromaticContact CE2-CD2 3.27Å; F587-F686 HydrophobicContact CE2-CD2 3.27Å; F587-F686 AromaticContact CE2-CE1 3.74Å; F587-F686 HydrophobicContact CE2-CE1 3.74Å; F587-F686 AromaticContact CE2-CE2 3.21Å; F587-F686 HydrophobicContact CE2-CE2 3.21Å; F587-F686 AromaticContact CE2-CG 3.57Å; F587-F686 HydrophobicContact CE2-CG 3.57Å; F587-F686 AromaticContact CE2-CZ 3.45Å; F587-F686 HydrophobicContact CE2-CZ 3.45Å; F587-F686 VanDerWaalsContact CE2-CZ 3.45Å; F587-F686 HydrophobicContact CG-CZ 4.4Å; F587-F686 HydrophobicContact CZ-CB 4.49Å; F587-F686 AromaticContact CZ-CD1 3.3Å; F587-F686 HydrophobicContact CZ-CD1 3.3Å; F587-F686 AromaticContact CZ-CD2 3.75Å; F587-F686 HydrophobicContact CZ-CD2 3.75Å; F587-F686 AromaticContact CZ-CE1 3.2Å; F587-F686 HydrophobicContact CZ-CE1 3.2Å; F587-F686 AromaticContact CZ-CE2 3.66Å; F587-F686 HydrophobicContact CZ-CE2 3.66Å; F587-F686 AromaticContact CZ-CG 3.57Å; F587-F686 HydrophobicContact CZ-CG 3.57Å; F587-F686 AromaticContact CZ-CZ 3.39Å; F587-F686 HydrophobicContact CZ-CZ 3.39Å
588E78.4Confident71.7Confident78 Ų7842.4 Ų42.436%0.36423%0.227SC..Hα-helixtrans-61.1-45174-165-178.6170.600111.4L400 P584 L585 I586 I590 T591 V592L400-E588 HydrophobicContact CD1-CB 4.47Å; L400-E588 HydrophobicContact CD1-CG 3.93Å; P584-E588 WeakPolarHBondContact O-CB 3.31Å; P584-E588 PolarHBondContact O-N 3.06Å; L585-E588 WeakPolarHBondContact O-CB 3.2Å; L585-E588 PolarHBondContact O-N 3.5Å; L585-E588 VanDerWaalsContact O-N 3.16Å; I586-E588 VanDerWaalsContact C-N 3.34Å; E588-I590 PolarHBondContact O-N 2.83Å; E588-T591 WeakPolarHBondContact O-CB 3.07Å; E588-T591 PolarHBondContact O-N 3.21Å; E588-V592 WeakPolarHBondContact O-CG2 3.46Å; E588-V592 PolarHBondContact O-N 2.66Å
589V80.7Confident73.3Confident5 Ų535.4 Ų35.43%0.0319%0.19CC..Hα-helixtrans-61.2-47176.1175.90000111.8I396 L400 L530 I534 L585 I586 T591 V592 L593I396-V589 HydrophobicContact CG2-CG2 3.55Å; L400-V589 HydrophobicContact CD1-CG2 4.04Å; L530-V589 HydrophobicContact CD1-CG1 3.78Å; I534-V589 HydrophobicContact CD1-CG1 4.17Å; I534-V589 HydrophobicContact CG1-CG1 4.42Å; L585-V589 PolarHBondContact O-N 2.79Å; I586-V589 PolarHBondContact O-N 3.28Å; V589-T591 VanDerWaalsContact C-N 3.29Å; V589-T591 PolarHBondContact O-N 3.01Å; V589-V592 PolarHBondContact O-N 2.87Å; V589-L593 WeakPolarHBondContact O-CB 3.25Å; V589-L593 PolarHBondContact O-N 2.88Å
590I80.4Confident74.7Confident5 Ų535 Ų353%0.02618%0.184CC..Hα-helixtrans-63.7-38.7177.1-66.8170.2000110.4I534 I586 F587 E588 L593 L594 F686 V692I534-I590 HydrophobicContact CD1-CG1 4.25Å; I534-I590 HydrophobicContact CG2-CD1 4.23Å; I534-I590 HydrophobicContact CG2-CG1 4.49Å; I586-I590 HydrophobicContact CG2-CD1 4.04Å; I586-I590 WeakPolarHBondContact O-CG1 3.47Å; I586-I590 PolarHBondContact O-N 2.9Å; F587-I590 PolarHBondContact O-N 3.34Å; E588-I590 PolarHBondContact O-N 2.83Å; I590-L593 PolarHBondContact O-N 2.89Å; I590-L594 HydrophobicContact CG2-CD1 3.81Å; I590-L594 HydrophobicContact CG2-CG 4.34Å; I590-L594 WeakPolarHBondContact O-CB 3.31Å; I590-L594 VanDerWaalsContact O-CG 3.28Å; I590-L594 WeakPolarHBondContact O-CG 3.31Å; I590-L594 PolarHBondContact O-N 2.85Å; I590-F686 HydrophobicContact CG2-CE2 4Å; I590-F686 HydrophobicContact CG2-CZ 4.24Å; I590-V692 HydrophobicContact CG2-CG1 4.07Å
591T79.8Confident75.1Confident44 Ų4431.9 Ų31.927%0.2718%0.175SC..Hα-helixtrans-64.4-48.7177.8-58.30000110.6F587 E588 V589 L593 L594 T595 F686F587-T591 WeakPolarHBondContact CD1-OG1 3.49Å; F587-T591 WeakPolarHBondContact CE1-OG1 3.26Å; F587-T591 VanDerWaalsContact O-CB 3.25Å; F587-T591 WeakPolarHBondContact O-CB 3.41Å; F587-T591 PolarHBondContact O-N 3.43Å; F587-T591 PolarHBondContact O-OG1 2.87Å; E588-T591 WeakPolarHBondContact O-CB 3.07Å; E588-T591 PolarHBondContact O-N 3.21Å; V589-T591 VanDerWaalsContact C-N 3.29Å; V589-T591 PolarHBondContact O-N 3.01Å; T591-L593 VanDerWaalsContact C-N 3.33Å; T591-L593 PolarHBondContact O-N 3.38Å; T591-L594 CarbonylContact O-C 3.45Å; T591-L594 PolarHBondContact O-N 3.32Å; T591-T595 WeakPolarHBondContact O-CB 3.39Å; T591-T595 PolarHBondContact O-N 3.26Å; T591-T595 PolarHBondContact O-OG1 3.49Å; T591-F686 HydrophobicContact CG2-CE1 4.49Å; T591-F686 WeakPolarHBondContact OG1-CE1 3.48Å; T591-F686 VanDerWaalsContact OG1-CZ 3.26Å; T591-F686 WeakPolarHBondContact OG1-CZ 3.47Å
592V81.6Confident75Confident15 Ų1531.8 Ų31.89%0.09117%0.171CC..Hα-helixtrans-60.4-43.8176.9170.80000110.8L400 L403 Q404 E588 V589 L594 T595 I596 L602L400-V592 HydrophobicContact CD1-CB 4.33Å; L400-V592 HydrophobicContact CD1-CG2 3.85Å; L400-V592 HydrophobicContact CG-CG2 4.49Å; L403-V592 HydrophobicContact CD2-CB 4.36Å; L403-V592 HydrophobicContact CD2-CG1 3.86Å; L403-V592 HydrophobicContact CG-CG1 4.46Å; Q404-V592 HydrophobicContact CG-CG1 4.42Å; E588-V592 WeakPolarHBondContact O-CG2 3.46Å; E588-V592 PolarHBondContact O-N 2.66Å; V589-V592 PolarHBondContact O-N 2.87Å; V592-L594 PolarHBondContact O-N 3.27Å; V592-T595 PolarHBondContact O-N 2.83Å; V592-I596 HydrophobicContact CG1-CD1 3.78Å; V592-I596 HydrophobicContact CG1-CG1 4.48Å; V592-I596 WeakPolarHBondContact O-CD1 3.44Å; V592-I596 VanDerWaalsContact O-CG1 3.24Å; V592-I596 WeakPolarHBondContact O-CG1 3.48Å; V592-I596 PolarHBondContact O-N 3.45Å; V592-L602 HydrophobicContact CG1-CD1 4.27Å; V592-L602 HydrophobicContact CG1-CD2 4.3Å
593L85.1Confident74.5Confident3 Ų339 Ų392%0.01621%0.209CC..Hα-helixtrans-59.6-45.4174.9179.963.3000111.9L403 F522 N526 L530 V589 I590 T591 I596 L597 L669 F696L403-L593 HydrophobicContact CD1-CD1 4.29Å; L403-L593 HydrophobicContact CD2-CB 4.24Å; F522-L593 HydrophobicContact CZ-CD1 4.22Å; N526-L593 WeakPolarHBondContact OD1-CD1 3.23Å; L530-L593 HydrophobicContact CD2-CD1 4.14Å; L530-L593 HydrophobicContact CD2-CD2 3.86Å; L530-L593 HydrophobicContact CD2-CG 4.44Å; V589-L593 WeakPolarHBondContact O-CB 3.25Å; V589-L593 PolarHBondContact O-N 2.88Å; I590-L593 PolarHBondContact O-N 2.89Å; T591-L593 VanDerWaalsContact C-N 3.33Å; T591-L593 PolarHBondContact O-N 3.38Å; L593-I596 PolarHBondContact O-N 3.32Å; L593-L597 HydrophobicContact CD1-CD1 3.9Å; L593-L597 HydrophobicContact CD1-CG 4.22Å; L593-L597 HydrophobicContact CG-CD1 3.89Å; L593-L597 WeakPolarHBondContact O-CB 3.23Å; L593-L597 VanDerWaalsContact O-CG 3.3Å; L593-L597 WeakPolarHBondContact O-CG 3.5Å; L593-L597 PolarHBondContact O-N 2.9Å; L593-L669 HydrophobicContact CD2-CD1 4.16Å; L593-F696 HydrophobicContact CD2-CE1 4.28Å; L593-F696 HydrophobicContact CD2-CZ 4.14Å
594L83.2Confident73.3Confident7 Ų743.1 Ų43.14%0.03723%0.229CC..Hα-helixtrans-64.8-39.2176.2-77.6168.3000112.1I590 T591 V592 L597 N598 F686 L695 F696I590-L594 HydrophobicContact CG2-CD1 3.81Å; I590-L594 HydrophobicContact CG2-CG 4.34Å; I590-L594 WeakPolarHBondContact O-CB 3.31Å; I590-L594 VanDerWaalsContact O-CG 3.28Å; I590-L594 WeakPolarHBondContact O-CG 3.31Å; I590-L594 PolarHBondContact O-N 2.85Å; T591-L594 CarbonylContact O-C 3.45Å; T591-L594 PolarHBondContact O-N 3.32Å; V592-L594 PolarHBondContact O-N 3.27Å; L594-L597 PolarHBondContact O-N 2.92Å; L594-N598 VanDerWaalsContact O-CB 3.23Å; L594-N598 WeakPolarHBondContact O-CB 3.35Å; L594-N598 VanDerWaalsContact O-CG 3.29Å; L594-N598 PolarHBondContact O-N 2.82Å; L594-N598 PolarHBondContact O-ND2 2.81Å; L594-N598 VanDerWaalsContact O-ND2 3.08Å; L594-F686 HydrophobicContact CD1-CE1 4.42Å; L594-F686 HydrophobicContact CD1-CE2 4.14Å; L594-F686 HydrophobicContact CD1-CZ 3.89Å; L594-L695 HydrophobicContact CD1-CB 4.06Å; L594-L695 HydrophobicContact CD1-CD1 3.72Å; L594-L695 HydrophobicContact CD2-CB 3.78Å; L594-F696 HydrophobicContact CD2-CD1 3.59Å; L594-F696 HydrophobicContact CD2-CD2 4.41Å; L594-F696 HydrophobicContact CD2-CE1 3.55Å; L594-F696 HydrophobicContact CD2-CE2 4.39Å; L594-F696 HydrophobicContact CD2-CG 4.02Å; L594-F696 HydrophobicContact CD2-CZ 3.97Å; L594-F696 HydrophobicContact CG-CE1 4.15Å; L594-F696 HydrophobicContact CG-CZ 4.25Å
595T81.2Confident71.9Confident40 Ų4044.6 Ų44.625%0.24524%0.241CC..Hα-helixtrans-63.2-43.8176.2-58.50000110.9T591 V592 G599 H600 L602T591-T595 WeakPolarHBondContact O-CB 3.39Å; T591-T595 PolarHBondContact O-N 3.26Å; T591-T595 PolarHBondContact O-OG1 3.49Å; V592-T595 PolarHBondContact O-N 2.83Å; T595-G599 PolarHBondContact O-N 3.35Å; T595-H600 HydrophobicContact CG2-CB 3.92Å; T595-H600 PolarHBondContact O-N 3.17Å; T595-H600 VanDerWaalsContact O-N 3.14Å; T595-L602 HydrophobicContact CG2-CD2 3.93Å
596I83.3Confident70.1Confident0 Ų048.9 Ų48.90%027%0.273CS..Hα-helixtrans-61.5-50174.8-66.9159.6000110.1L403 A407 L410 F522 V592 L593 G599 L602 F628 L631L403-I596 HydrophobicContact CD1-CD1 4.24Å; L403-I596 HydrophobicContact CD2-CD1 4.28Å; L403-I596 HydrophobicContact CG-CD1 3.95Å; A407-I596 HydrophobicContact CB-CD1 3.68Å; A407-I596 HydrophobicContact CB-CG1 4.07Å; A407-I596 HydrophobicContact CB-CG2 4.32Å; L410-I596 HydrophobicContact CD1-CG2 4.2Å; F522-I596 HydrophobicContact CE2-CG2 4.37Å; F522-I596 HydrophobicContact CZ-CG2 4.02Å; V592-I596 HydrophobicContact CG1-CD1 3.78Å; V592-I596 HydrophobicContact CG1-CG1 4.48Å; V592-I596 WeakPolarHBondContact O-CD1 3.44Å; V592-I596 VanDerWaalsContact O-CG1 3.24Å; V592-I596 WeakPolarHBondContact O-CG1 3.48Å; V592-I596 PolarHBondContact O-N 3.45Å; L593-I596 PolarHBondContact O-N 3.32Å; I596-G599 VanDerWaalsContact O-CA 3.32Å; I596-G599 WeakPolarHBondContact O-CA 3.22Å; I596-G599 PolarHBondContact O-N 3.19Å; I596-L602 HydrophobicContact CD1-CD1 4.27Å; I596-L602 HydrophobicContact CG1-CD1 4.06Å; I596-F628 HydrophobicContact CB-CE1 4.44Å; I596-F628 HydrophobicContact CG1-CE1 4.16Å; I596-F628 HydrophobicContact CG2-CE1 4.26Å; I596-F628 HydrophobicContact CG2-CZ 3.97Å; I596-L631 WeakPolarHBondContact O-CD1 3.4Å
597L83.8Confident68.2Low0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-72.3-27.1-176.5-70.2172.8000114F522 L593 L594 G599 L662 L665 L669 F696 C699 Y703F522-L597 HydrophobicContact CE1-CD2 4.17Å; L593-L597 HydrophobicContact CD1-CD1 3.9Å; L593-L597 HydrophobicContact CD1-CG 4.22Å; L593-L597 HydrophobicContact CG-CD1 3.89Å; L593-L597 WeakPolarHBondContact O-CB 3.23Å; L593-L597 VanDerWaalsContact O-CG 3.3Å; L593-L597 WeakPolarHBondContact O-CG 3.5Å; L593-L597 PolarHBondContact O-N 2.9Å; L594-L597 PolarHBondContact O-N 2.92Å; L597-G599 PolarHBondContact O-N 3.15Å; L597-L662 HydrophobicContact CD2-CD2 3.92Å; L597-L665 HydrophobicContact CD2-CD2 4.33Å; L597-L669 HydrophobicContact CD1-CD1 4.21Å; L597-F696 HydrophobicContact CD1-CD1 4.15Å; L597-F696 HydrophobicContact CD1-CE1 3.79Å; L597-C699 HydrophobicContact CB-CB 4.42Å; L597-Y703 VanDerWaalsContact O-CE2 3.29Å; L597-Y703 WeakPolarHBondContact O-CE2 3.41Å; L597-Y703 VanDerWaalsContact O-CZ 3.29Å; L597-Y703 PolarHBondContact O-OH 2.81Å
598N79.9Confident66Low52 Ų5259.3 Ų59.328%0.27834%0.335SS..THydrogen-bonded Turntrans-71.1-8.7166.7-79.2-39.4000112.2L594 H600 C699L594-N598 VanDerWaalsContact O-CB 3.23Å; L594-N598 WeakPolarHBondContact O-CB 3.35Å; L594-N598 VanDerWaalsContact O-CG 3.29Å; L594-N598 PolarHBondContact O-N 2.82Å; L594-N598 PolarHBondContact O-ND2 2.81Å; L594-N598 VanDerWaalsContact O-ND2 3.08Å; N598-H600 VanDerWaalsContact C-N 3.35Å; N598-H600 PolarHBondContact O-N 2.72Å; N598-C699 PolarHBondContact OD1-SG 2.72Å
599G72.5Confident63.6Low1 Ų162.7 Ų62.71%0.0136%0.356CS..THydrogen-bonded Turntrans75.520.1176.500000114.7T595 I596 L597 G630 L631 T632T595-G599 PolarHBondContact O-N 3.35Å; I596-G599 VanDerWaalsContact O-CA 3.32Å; I596-G599 WeakPolarHBondContact O-CA 3.22Å; I596-G599 PolarHBondContact O-N 3.19Å; L597-G599 PolarHBondContact O-N 3.15Å; G599-G630 CarbonylContact O-C 3.58Å; G599-G630 VanDerWaalsContact O-C 3.23Å; G599-G630 VanDerWaalsContact O-CA 3.27Å; G599-G630 WeakPolarHBondContact O-CA 3.13Å; G599-L631 PolarHBondContact O-N 2.78Å; G599-L631 VanDerWaalsContact O-N 3.13Å; G599-T632 PolarHBondContact O-N 3.26Å; G599-T632 VanDerWaalsContact O-N 3.15Å; G599-T632 PolarHBondContact O-OG1 3.47Å
600H71.3Confident61.3Low116 Ų11668.4 Ų68.454%0.53739%0.391SS..  trans-80.5148.2169.1-69-58.2000110.9T595 N598 F628T595-H600 HydrophobicContact CG2-CB 3.92Å; T595-H600 PolarHBondContact O-N 3.17Å; T595-H600 VanDerWaalsContact O-N 3.14Å; N598-H600 VanDerWaalsContact C-N 3.35Å; N598-H600 PolarHBondContact O-N 2.72Å; H600-F628 WeakPolarHBondContact O-CE1 3.33Å
601G62.8Low59Low33 Ų3373.5 Ų73.534%0.3442%0.422SS..  trans-70.9155.5171.900000111.5F628G601-F628 WeakPolarHBondContact CA-O 3.33Å
602L59.4Low56.7Low41 Ų4178.5 Ų78.522%0.21545%0.447CS..  trans-95.9106.1173.9-69170.4000108.9Q404 V592 T595 I596 F628Q404-L602 HydrophobicContact CG-CD1 4.04Å; V592-L602 HydrophobicContact CG1-CD1 4.27Å; V592-L602 HydrophobicContact CG1-CD2 4.3Å; T595-L602 HydrophobicContact CG2-CD2 3.93Å; I596-L602 HydrophobicContact CD1-CD1 4.27Å; I596-L602 HydrophobicContact CG1-CD1 4.06Å; L602-F628 HydrophobicContact CB-CD1 4.5Å; L602-F628 HydrophobicContact CD1-CD1 4.23Å; L602-F628 HydrophobicContact CG-CD1 4.08Å
603N53.3Low54.5Low153 Ų15385.7 Ų85.782%0.81849%0.485SS*.PPolyproline II helixtrans-78.5141.4170.4-68.3-11.9000109.3S605N603-S605 PolarHBondContact O-N 2.72Å; N603-S605 VanDerWaalsContact O-N 3.11Å
604K42.5Very low52Low162 Ų16290.6 Ų90.670%0.70452%0.52SS*.PPolyproline II helixtrans-51.1121.4171.9-80.5-178.6177.6174.50109S606K604-S606 PolarHBondContact O-N 3.33Å
605S37.6Very low49.6Very low103 Ų10395.1 Ų95.172%0.7256%0.558SS**PPolyproline II helixtrans-52.7129.3168.544.80000108.2N603 N607N603-S605 PolarHBondContact O-N 2.72Å; N603-S605 VanDerWaalsContact O-N 3.11Å; S605-N607 PolarHBondContact O-N 3.16Å
606S28.7Very low47.3Very low109 Ų10999.6 Ų99.676%0.76259%0.586SS**  trans-58.3105.6175.449.80000108.3K604 V608K604-S606 PolarHBondContact O-N 3.33Å; S606-V608 PolarHBondContact O-N 3.33Å
607N31.7Very low44.9Very low151 Ų151108 Ų10881%0.80763%0.625SS**  trans-53.5114.8165.9-82.7-15.4000107.1S605 D609S605-N607 PolarHBondContact O-N 3.16Å; N607-D609 PolarHBondContact O-N 2.95Å
608V29.1Very low42.4Very low127 Ų127115 Ų11577%0.7766%0.662SS**  trans-55.5123.6174173.10000107.4S606 V610S606-V608 PolarHBondContact O-N 3.33Å; V608-V610 VanDerWaalsContact C-N 3.33Å; V608-V610 PolarHBondContact O-N 2.75Å
609D28.5Very low39.9Very low149 Ų149118.9 Ų118.980%0.79768%0.683SS**  trans-54.590.7177.9-72.3-46.8000110.7N607 T611N607-D609 PolarHBondContact O-N 2.95Å; D609-T611 PolarHBondContact O-N 3.09Å
610V32.6Very low38Very low125 Ų125127.4 Ų127.476%0.75872%0.723SS**  trans-8485.5157.9-176.80000105.7V608 D612V608-V610 VanDerWaalsContact C-N 3.33Å; V608-V610 PolarHBondContact O-N 2.75Å; V610-D612 PolarHBondContact O-N 3.13Å
611T30.6Very low36.1Very low113 Ų113129 Ų12969%0.69374%0.735SS**  trans-62.199163.249.30000108D609D609-T611 PolarHBondContact O-N 3.09Å
612D32.9Very low34.7Very low148 Ų148136.5 Ų136.579%0.79176%0.759SS**  trans-139.8112.7150.6-94.3-32.2000110.3V610 S614V610-D612 PolarHBondContact O-N 3.13Å; D612-S614 PolarHBondContact O-N 3.4Å
613N33.6Very low33.6Very low166 Ų166140.9 Ų140.989%0.88878%0.782SS**  trans-63.5109.8-177.5-63.7-53.1000110.3
614S33.4Very low32.7Very low107 Ų107140.6 Ų140.675%0.74878%0.78SS**  trans-144.2105.5147.557.80000110D612 T616D612-S614 PolarHBondContact O-N 3.4Å; S614-T616 PolarHBondContact O-N 3.39Å
615A33Very low32.8Very low102 Ų102137.2 Ų137.284%0.84377%0.774SS**  trans-62.4111.3173.300000109.6
616T32.9Very low33.4Very low134 Ų134137.8 Ų137.882%0.82277%0.772SS**  trans-139.392.9150.130.90000107.6S614 N618S614-T616 PolarHBondContact O-N 3.39Å; T616-N618 PolarHBondContact O-N 2.95Å
617E32.4Very low34.9Very low177 Ų177139 Ų13983%0.82777%0.766SS**  trans-51.7123.6159.6-65.2172.915200108.1
618N31.2Very low36.2Very low146 Ų146132.6 Ų132.678%0.78173%0.731SS**  trans-173.4111.1141.7-87.9-31.1000111.7T616T616-N618 PolarHBondContact O-N 2.95Å
619N28Very low37.9Very low133 Ų133130.3 Ų130.371%0.71172%0.717SS**  trans73.294.8139.6-59.8-18.7000120.2N621N619-N621 PolarHBondContact O-N 3.21Å
620E32.2Very low40.2Very low181 Ų181123.4 Ų123.485%0.84668%0.681SS**  33.583.8117.4-63.5-171.715800117.4
621N32.3Very low42.5Very low149 Ų149117.6 Ų117.680%0.79765%0.646SS**  trans-132.476.8144.1-87.4-27.3000107.4N619 N623N619-N621 PolarHBondContact O-N 3.21Å; N621-N623 PolarHBondContact O-N 2.9Å
622K32.8Very low44.8Very low191 Ų191115.6 Ų115.683%0.8363%0.633SS**  trans-71.182.9164.5-81.6-178.3176.5176.60107.5D624K622-D624 PolarHBondContact O-N 3.41Å; K622-D624 VanDerWaalsContact O-N 3.1Å
623N35.8Very low47Very low132 Ų132110.2 Ų110.271%0.70661%0.61SS**  trans-66.1104.2157.7-74.4-18.7000105.8N621 T625N621-N623 PolarHBondContact O-N 2.9Å; N623-T625 PolarHBondContact O-N 3.37Å
624D35.7Very low49.4Very low147 Ų147103.8 Ų103.879%0.78657%0.574SS**  trans-61.983.9169.6-71.4-29.2000108.2K622 V626K622-D624 PolarHBondContact O-N 3.41Å; K622-D624 VanDerWaalsContact O-N 3.1Å; D624-V626 PolarHBondContact O-N 2.96Å
625T43.3Very low51.7Low92 Ų9299.3 Ų99.356%0.56454%0.542SS*.  trans-66.9103171.652.50000106.9N623 E627N623-T625 PolarHBondContact O-N 3.37Å; T625-E627 PolarHBondContact O-N 3.27Å; T625-E627 VanDerWaalsContact O-N 3.1Å
626V50.3Low54.1Low114 Ų11497.2 Ų97.269%0.69152%0.521SS*.  trans-49.8114.7176.81800000109.1D624D624-V626 PolarHBondContact O-N 2.96Å
627E60.1Low56.4Low135 Ų13594.8 Ų94.863%0.63151%0.507SS*.  trans-68.7140.2179.8-68.4-178.2165.400110.5T625 V629T625-E627 PolarHBondContact O-N 3.27Å; T625-E627 VanDerWaalsContact O-N 3.1Å; E627-V629 PolarHBondContact O-N 3.4Å
628F59.2Low58.8Low17 Ų1787.1 Ų87.18%0.07547%0.471CS..  trans-71.6103.1173.8175.6-112000110.1A407 L410 I596 H600 G601 L602 G630 L631A407-F628 VanDerWaalsContact C-CD2 3.4Å; A407-F628 HydrophobicContact CB-CD2 4.02Å; A407-F628 HydrophobicContact CB-CE2 4.12Å; A407-F628 HydrophobicContact CB-CG 4.29Å; A407-F628 HydrophobicContact CB-CZ 4.5Å; A407-F628 WeakPolarHBondContact O-CD2 3.32Å; A407-F628 WeakPolarHBondContact O-CE2 3.32Å; L410-F628 HydrophobicContact CB-CE2 4.3Å; L410-F628 HydrophobicContact CD1-CE2 4.24Å; I596-F628 HydrophobicContact CB-CE1 4.44Å; I596-F628 HydrophobicContact CG1-CE1 4.16Å; I596-F628 HydrophobicContact CG2-CE1 4.26Å; I596-F628 HydrophobicContact CG2-CZ 3.97Å; H600-F628 WeakPolarHBondContact O-CE1 3.33Å; G601-F628 WeakPolarHBondContact CA-O 3.33Å; L602-F628 HydrophobicContact CB-CD1 4.5Å; L602-F628 HydrophobicContact CD1-CD1 4.23Å; L602-F628 HydrophobicContact CG-CD1 4.08Å; F628-G630 PolarHBondContact O-N 3.34Å; F628-L631 HydrophobicContact CE2-CD2 4.18Å; F628-L631 HydrophobicContact CZ-CD2 3.87Å; F628-L631 HydrophobicContact CZ-CG 3.96Å
629V65.4Low61.2Low79 Ų7982.1 Ų82.148%0.47945%0.446SS..  trans-68.2119.8167.6-178.80000107.9E627 A633 Q634E627-V629 PolarHBondContact O-N 3.4Å; V629-A633 HydrophobicContact CG1-CB 3.74Å; V629-Q634 HydrophobicContact CB-CG 4.29Å; V629-Q634 HydrophobicContact CG1-CG 4.05Å; V629-Q634 PolarHBondContact O-NE2 3.23Å; V629-Q634 VanDerWaalsContact O-NE2 3.09Å
630G77.2Confident63.7Low4 Ų483.2 Ų83.24%0.04145%0.451CS..  trans-53.1144.5-178.400000112.9G599 F628 T632 A633 Q634G599-G630 CarbonylContact O-C 3.58Å; G599-G630 VanDerWaalsContact O-C 3.23Å; G599-G630 VanDerWaalsContact O-CA 3.27Å; G599-G630 WeakPolarHBondContact O-CA 3.13Å; F628-G630 PolarHBondContact O-N 3.34Å; G630-T632 PolarHBondContact O-N 3.4Å; G630-T632 VanDerWaalsContact O-N 3.14Å; G630-A633 WeakPolarHBondContact O-CA 3.49Å; G630-A633 WeakPolarHBondContact O-CB 3.35Å; G630-A633 PolarHBondContact O-N 2.98Å; G630-Q634 PolarHBondContact O-N 3.49Å
631L81.3Confident66Low3 Ų377.8 Ų77.82%0.01643%0.433CS..Hα-helixtrans-54.5-36.2-175.9-58.1176.4000112.7L410 F412 I596 G599 F628 A633 Q634 L635 L662 Y703L410-L631 HydrophobicContact CB-CD2 4.32Å; L410-L631 HydrophobicContact CD1-CD2 4.06Å; F412-L631 HydrophobicContact CD2-CD2 4.47Å; F412-L631 HydrophobicContact CE2-CB 3.72Å; F412-L631 HydrophobicContact CE2-CD2 3.51Å; F412-L631 HydrophobicContact CE2-CG 4.11Å; F412-L631 HydrophobicContact CZ-CB 4.13Å; F412-L631 HydrophobicContact CZ-CD1 4.44Å; F412-L631 HydrophobicContact CZ-CD2 3.96Å; F412-L631 HydrophobicContact CZ-CG 4.39Å; I596-L631 WeakPolarHBondContact O-CD1 3.4Å; G599-L631 PolarHBondContact O-N 2.78Å; G599-L631 VanDerWaalsContact O-N 3.13Å; F628-L631 HydrophobicContact CE2-CD2 4.18Å; F628-L631 HydrophobicContact CZ-CD2 3.87Å; F628-L631 HydrophobicContact CZ-CG 3.96Å; L631-A633 PolarHBondContact O-N 3.03Å; L631-Q634 PolarHBondContact O-N 3.27Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 3.4Å; L631-L662 HydrophobicContact CD1-CD1 4.06Å; L631-Y703 WeakPolarHBondContact CD1-OH 3.31Å
632T78.5Confident68.4Low70 Ų7071.1 Ų71.143%0.42940%0.398SS..Hα-helixtrans-65.1-38.1176.354.70000112.5G599 G630 L635 S636G599-T632 PolarHBondContact O-N 3.26Å; G599-T632 VanDerWaalsContact O-N 3.15Å; G599-T632 PolarHBondContact O-OG1 3.47Å; G630-T632 PolarHBondContact O-N 3.4Å; G630-T632 VanDerWaalsContact O-N 3.14Å; T632-L635 PolarHBondContact O-N 2.86Å; T632-S636 PolarHBondContact O-N 3.31Å; T632-S636 PolarHBondContact O-OG 2.96Å
633A79.3Confident70.5Confident36 Ų3667 Ų6730%0.29839%0.385SS..Hα-helixtrans-72.4-34.2176.200000111.8V629 G630 L631 S636 T637V629-A633 HydrophobicContact CG1-CB 3.74Å; G630-A633 WeakPolarHBondContact O-CA 3.49Å; G630-A633 WeakPolarHBondContact O-CB 3.35Å; G630-A633 PolarHBondContact O-N 2.98Å; L631-A633 PolarHBondContact O-N 3.03Å; A633-S636 WeakPolarHBondContact CA-OG 3.43Å; A633-S636 PolarHBondContact O-OG 3.24Å; A633-T637 VanDerWaalsContact O-CB 3.3Å; A633-T637 WeakPolarHBondContact O-CB 3.04Å; A633-T637 PolarHBondContact O-N 3.03Å; A633-T637 PolarHBondContact O-OG1 3.4Å
634Q82.5Confident72.7Confident30 Ų3066.5 Ų66.514%0.1437%0.373CS..Hα-helixtrans-63.6-47.6171.6-62.9-168.717.300111L410 F412 V629 G630 L631 S636 T637 I638L410-Q634 PolarHBondContact O-NE2 2.97Å; L410-Q634 PolarHBondContact O-OE1 3.03Å; F412-Q634 HydrophobicContact CD2-CB 4.01Å; V629-Q634 HydrophobicContact CB-CG 4.29Å; V629-Q634 HydrophobicContact CG1-CG 4.05Å; V629-Q634 PolarHBondContact O-NE2 3.23Å; V629-Q634 VanDerWaalsContact O-NE2 3.09Å; G630-Q634 PolarHBondContact O-N 3.49Å; L631-Q634 PolarHBondContact O-N 3.27Å; Q634-S636 PolarHBondContact O-N 3.43Å; Q634-T637 PolarHBondContact O-N 3.11Å; Q634-I638 VanDerWaalsContact O-CG1 3.27Å; Q634-I638 WeakPolarHBondContact O-CG1 3.24Å; Q634-I638 PolarHBondContact O-N 3.36Å
635L83.1Confident74.7Confident13 Ų1360.9 Ų60.97%0.06834%0.343CS..Hα-helixtrans-59.9-46.7177.1-73.1172.1000111.5F412 L631 T632 T637 I638 T639 C655 L710F412-L635 HydrophobicContact CD1-CD2 4.35Å; F412-L635 HydrophobicContact CD2-CD2 4.26Å; F412-L635 HydrophobicContact CD2-CG 4.29Å; F412-L635 HydrophobicContact CE2-CD2 4.44Å; F412-L635 HydrophobicContact CE2-CG 4.18Å; F412-L635 HydrophobicContact CG-CD2 4.2Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 3.4Å; T632-L635 PolarHBondContact O-N 2.86Å; L635-T637 VanDerWaalsContact C-N 3.35Å; L635-T637 PolarHBondContact O-N 3.19Å; L635-I638 PolarHBondContact O-N 2.81Å; L635-T639 WeakPolarHBondContact O-CB 3.33Å; L635-T639 PolarHBondContact O-N 3.5Å; L635-T639 PolarHBondContact O-OG1 3.29Å; L635-C655 HydrophobicContact CD2-CB 4.26Å; L635-L710 HydrophobicContact CD2-CD1 4.28Å
636S82.4Confident76.4Confident58 Ų5856.8 Ų56.841%0.40632%0.317SS..Hα-helixtrans-63.4-40.3178.168.60000112.5T632 A633 Q634 T639 L640T632-S636 PolarHBondContact O-N 3.31Å; T632-S636 PolarHBondContact O-OG 2.96Å; A633-S636 WeakPolarHBondContact CA-OG 3.43Å; A633-S636 PolarHBondContact O-OG 3.24Å; Q634-S636 PolarHBondContact O-N 3.43Å; S636-T639 PolarHBondContact O-N 3.46Å; S636-L640 WeakPolarHBondContact O-CB 3.28Å; S636-L640 VanDerWaalsContact O-CG 3.25Å; S636-L640 WeakPolarHBondContact O-CG 3.33Å; S636-L640 PolarHBondContact O-N 3.02Å
637T82.4Confident77.7Confident84 Ų8452.9 Ų52.952%0.51529%0.293SS..Hα-helixtrans-64.1-41.7176.4-55.50000111.1A633 Q634 L635 L640 S641A633-T637 VanDerWaalsContact O-CB 3.3Å; A633-T637 WeakPolarHBondContact O-CB 3.04Å; A633-T637 PolarHBondContact O-N 3.03Å; A633-T637 PolarHBondContact O-OG1 3.4Å; Q634-T637 PolarHBondContact O-N 3.11Å; L635-T637 VanDerWaalsContact C-N 3.35Å; L635-T637 PolarHBondContact O-N 3.19Å; T637-L640 PolarHBondContact O-N 2.98Å; T637-S641 VanDerWaalsContact O-CB 3.22Å; T637-S641 WeakPolarHBondContact O-CB 3.34Å; T637-S641 PolarHBondContact O-N 3.45Å; T637-S641 PolarHBondContact O-OG 2.92Å
638I82.5Confident78.8Confident16 Ų1646.5 Ų46.58%0.08226%0.264CS..Hα-helixtrans-63.3-53.2176-69.6166.3000109.5F412 Q634 L635 L640 S641 V642 K651 L652F412-I638 HydrophobicContact CB-CD1 3.58Å; Q634-I638 VanDerWaalsContact O-CG1 3.27Å; Q634-I638 WeakPolarHBondContact O-CG1 3.24Å; Q634-I638 PolarHBondContact O-N 3.36Å; L635-I638 PolarHBondContact O-N 2.81Å; I638-L640 PolarHBondContact O-N 3.48Å; I638-L640 VanDerWaalsContact O-N 3.11Å; I638-S641 PolarHBondContact O-N 3.33Å; I638-S641 PolarHBondContact O-OG 3.35Å; I638-V642 HydrophobicContact CG2-CG2 3.7Å; I638-V642 WeakPolarHBondContact O-CB 3.46Å; I638-V642 WeakPolarHBondContact O-CG2 3.37Å; I638-V642 PolarHBondContact O-N 3.33Å; I638-K651 HydrophobicContact CG2-CD 4.27Å; I638-K651 HydrophobicContact CG2-CG 4.33Å; I638-L652 HydrophobicContact CG2-CD2 4.44Å
639T80.9Confident80.1Confident41 Ų4145.7 Ų45.725%0.25226%0.26SS..Hα-helixtrans-54.3-35.5179.6-54.90000112.8L635 S636 Q713L635-T639 WeakPolarHBondContact O-CB 3.33Å; L635-T639 PolarHBondContact O-N 3.5Å; L635-T639 PolarHBondContact O-OG1 3.29Å; S636-T639 PolarHBondContact O-N 3.46Å; T639-Q713 HydrophobicContact CG2-CB 4.47Å; T639-Q713 HydrophobicContact CG2-CG 3.96Å
640L80.8Confident80.9Confident155 Ų15542 Ų4281%0.81224%0.237SC*.Hα-helixtrans-82.8-24.8178.3-68.4172.2000114.7S636 T637 I638S636-L640 WeakPolarHBondContact O-CB 3.28Å; S636-L640 VanDerWaalsContact O-CG 3.25Å; S636-L640 WeakPolarHBondContact O-CG 3.33Å; S636-L640 PolarHBondContact O-N 3.02Å; T637-L640 PolarHBondContact O-N 2.98Å; I638-L640 PolarHBondContact O-N 3.48Å; I638-L640 VanDerWaalsContact O-N 3.11Å
641S80.2Confident81.3Confident68 Ų6844.5 Ų44.548%0.47625%0.247SC..Hα-helixtrans-101.9-3.8-175.561.40000114.1T637 I638T637-S641 VanDerWaalsContact O-CB 3.22Å; T637-S641 WeakPolarHBondContact O-CB 3.34Å; T637-S641 PolarHBondContact O-N 3.45Å; T637-S641 PolarHBondContact O-OG 2.92Å; I638-S641 PolarHBondContact O-N 3.33Å; I638-S641 PolarHBondContact O-OG 3.35Å
642V82.2Confident81.6Confident9 Ų944.4 Ų44.46%0.05525%0.246CC..  trans-65.9135.2-178.7160.80000111I638 K651 L652 I717I638-V642 HydrophobicContact CG2-CG2 3.7Å; I638-V642 WeakPolarHBondContact O-CB 3.46Å; I638-V642 WeakPolarHBondContact O-CG2 3.37Å; I638-V642 PolarHBondContact O-N 3.33Å; V642-K651 HydrophobicContact CG2-CD 4.15Å; V642-L652 HydrophobicContact CG1-CD1 4.29Å; V642-L652 HydrophobicContact CG1-CG 4.3Å; V642-L652 HydrophobicContact CG2-CD2 4Å; V642-L652 HydrophobicContact CG2-CG 4.14Å; V642-I717 HydrophobicContact CG1-CD1 3.64Å
643D78.3Confident82Confident105 Ų10541 Ų4156%0.56123%0.226SC*.  trans-64.8141172.5-67.3-48.2000110.8D645 G648D643-D645 PolarHBondContact O-N 2.87Å; D643-G648 WeakPolarHBondContact O-CA 3.48Å
644W80.3Confident82.4Confident121 Ų12139.3 Ų39.346%0.45821%0.212SC..SBendtrans-82.154.3179.8-6679.6000111.5I717 V720W644-I717 HydrophobicContact CD2-CG1 4.31Å; W644-I717 HydrophobicContact CE3-CB 4.27Å; W644-I717 HydrophobicContact CE3-CG1 3.68Å; W644-I717 HydrophobicContact CZ3-CG1 3.81Å; W644-V720 HydrophobicContact CB-CG1 4.46Å; W644-V720 HydrophobicContact CD2-CG1 4.35Å; W644-V720 HydrophobicContact CE3-CB 3.78Å; W644-V720 HydrophobicContact CE3-CG1 3.74Å; W644-V720 HydrophobicContact CE3-CG2 3.93Å; W644-V720 HydrophobicContact CZ3-CB 4.16Å; W644-V720 HydrophobicContact CZ3-CG1 4.43Å; W644-V720 HydrophobicContact CZ3-CG2 3.8Å
645D79.5Confident82.6Confident28 Ų2837.9 Ų37.915%0.1521%0.205CC..SBendtrans-147.3-172.8-178.873.25.9000112.8D643 N647 G648 I649 Y721D643-D645 PolarHBondContact O-N 2.87Å; D645-N647 VanDerWaalsContact C-N 3.28Å; D645-N647 PolarHBondContact O-N 3.39Å; D645-N647 WeakPolarHBondContact OD1-CA 3.22Å; D645-N647 VanDerWaalsContact OD1-CB 3.29Å; D645-N647 WeakPolarHBondContact OD1-CB 3.36Å; D645-N647 PolarHBondContact OD1-N 2.63Å; D645-N647 PolarHBondContact OD2-ND2 3.26Å; D645-G648 PolarHBondContact O-N 3.39Å; D645-G648 VanDerWaalsContact O-N 3.16Å; D645-G648 PolarHBondContact OD1-N 3.2Å; D645-I649 PolarHBondContact O-N 3.16Å; D645-I649 VanDerWaalsContact O-N 3.12Å; D645-Y721 HydrophobicContact CB-CD2 3.96Å; D645-Y721 HydrophobicContact CB-CE2 3.73Å
646L77.5Confident82.8Confident6 Ų637.3 Ų37.33%0.03120%0.202CC..Hα-helixtrans-62.1-30.6178.6-76.2166.8000113.6G648 I649 E650 Y721 L739 N779 I780L646-G648 VanDerWaalsContact C-N 3.28Å; L646-I649 HydrophobicContact CD2-CD1 4.32Å; L646-I649 PolarHBondContact O-N 3.17Å; L646-E650 WeakPolarHBondContact O-CB 3.47Å; L646-E650 PolarHBondContact O-N 3.36Å; L646-Y721 HydrophobicContact CD1-CE1 4.02Å; L646-Y721 HydrophobicContact CD2-CE1 4.43Å; L646-Y721 HydrophobicContact CG-CD1 4.47Å; L646-Y721 HydrophobicContact CG-CE1 3.71Å; L646-L739 HydrophobicContact CD1-CD1 3.93Å; L646-N779 HydrophobicContact CD1-CB 4.3Å; L646-N779 HydrophobicContact CD2-CB 3.92Å; L646-I780 HydrophobicContact CD2-CG1 4.49Å
647N79Confident82.9Confident32 Ų3234.5 Ų34.517%0.17118%0.183CC..Hα-helixtrans-68.4-36.5176.5-57.8-45.5000110.1D645 E650 K651 L742D645-N647 VanDerWaalsContact C-N 3.28Å; D645-N647 PolarHBondContact O-N 3.39Å; D645-N647 WeakPolarHBondContact OD1-CA 3.22Å; D645-N647 VanDerWaalsContact OD1-CB 3.29Å; D645-N647 WeakPolarHBondContact OD1-CB 3.36Å; D645-N647 PolarHBondContact OD1-N 2.63Å; D645-N647 PolarHBondContact OD2-ND2 3.26Å; N647-E650 PolarHBondContact O-N 3.2Å; N647-K651 WeakPolarHBondContact O-CB 3.24Å; N647-K651 PolarHBondContact O-N 2.66Å; N647-L742 HydrophobicContact CB-CD1 4.45Å
648G83Confident83Confident2 Ų230.5 Ų30.52%0.02116%0.158CC..Hα-helixtrans-63.6-42.7172.700000113.7D643 D645 L646 K651 L652D643-G648 WeakPolarHBondContact O-CA 3.48Å; D645-G648 PolarHBondContact O-N 3.39Å; D645-G648 VanDerWaalsContact O-N 3.16Å; D645-G648 PolarHBondContact OD1-N 3.2Å; L646-G648 VanDerWaalsContact C-N 3.28Å; G648-K651 PolarHBondContact O-N 3.28Å; G648-L652 WeakPolarHBondContact O-CG 3.33Å; G648-L652 PolarHBondContact O-N 3.21Å
649I85.1Confident83.2Confident0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-62.1-45.7174.4-64.9168000110.7D645 L646 K651 L652 A653 I714 I717 S718 I780 I783D645-I649 PolarHBondContact O-N 3.16Å; D645-I649 VanDerWaalsContact O-N 3.12Å; L646-I649 HydrophobicContact CD2-CD1 4.32Å; L646-I649 PolarHBondContact O-N 3.17Å; I649-K651 VanDerWaalsContact C-N 3.33Å; I649-K651 PolarHBondContact O-N 3.45Å; I649-L652 PolarHBondContact O-N 3.33Å; I649-A653 VanDerWaalsContact O-CB 3.26Å; I649-A653 WeakPolarHBondContact O-CB 3.4Å; I649-A653 PolarHBondContact O-N 3.15Å; I649-I714 HydrophobicContact CG2-CG2 4.06Å; I649-I717 HydrophobicContact CD1-CG2 4.18Å; I649-I717 HydrophobicContact CG1-CB 4.38Å; I649-I717 HydrophobicContact CG1-CG2 3.79Å; I649-S718 WeakPolarHBondContact CD1-OG 3.34Å; I649-I780 HydrophobicContact CD1-CD1 4.18Å; I649-I780 HydrophobicContact CD1-CG1 4.19Å; I649-I780 HydrophobicContact CG2-CG1 4.45Å; I649-I783 HydrophobicContact CG2-CD1 4.31Å
650E83.2Confident83.3Confident0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-56.7-46.6175.8-176-179.4-158.900111.3L646 N647 A653 L654 L742 L743 L744 I783L646-E650 WeakPolarHBondContact O-CB 3.47Å; L646-E650 PolarHBondContact O-N 3.36Å; N647-E650 PolarHBondContact O-N 3.2Å; E650-A653 PolarHBondContact O-N 3.47Å; E650-L654 HydrophobicContact CG-CD1 4.45Å; E650-L654 WeakPolarHBondContact O-CG 3.26Å; E650-L654 PolarHBondContact O-N 2.98Å; E650-L742 PolarHBondContact OE2-N 3.5Å; E650-L743 HydrophobicContact CG-CB 4.33Å; E650-L743 HydrophobicContact CG-CD1 4.41Å; E650-L743 WeakPolarHBondContact OE1-CB 3.47Å; E650-L743 PolarHBondContact OE1-N 3.24Å; E650-L743 PolarHBondContact OE2-N 3.04Å; E650-L744 HydrophobicContact CG-CD1 4.38Å; E650-L744 WeakPolarHBondContact OE1-CB 3.31Å; E650-L744 VanDerWaalsContact OE1-CG 3.29Å; E650-L744 WeakPolarHBondContact OE1-CG 3.42Å; E650-L744 PolarHBondContact OE1-N 2.77Å; E650-I783 HydrophobicContact CB-CD1 4.2Å
651K84.9Confident83.3Confident58 Ų5820.6 Ų20.625%0.25211%0.105SC..Hα-helixtrans-63.1-43.8178.8-169.6176.3-176.5-176.90112.5I638 V642 N647 G648 I649 L654 C655I638-K651 HydrophobicContact CG2-CD 4.27Å; I638-K651 HydrophobicContact CG2-CG 4.33Å; V642-K651 HydrophobicContact CG2-CD 4.15Å; N647-K651 WeakPolarHBondContact O-CB 3.24Å; N647-K651 PolarHBondContact O-N 2.66Å; G648-K651 PolarHBondContact O-N 3.28Å; I649-K651 VanDerWaalsContact C-N 3.33Å; I649-K651 PolarHBondContact O-N 3.45Å; K651-L654 PolarHBondContact O-N 2.96Å; K651-C655 PolarHBondContact O-N 3.42Å; K651-C655 PolarHBondContact O-SG 3.33Å
652L87.8Confident83.5Confident0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-66.4-39.9176.7-70.1175.4000112I638 V642 G648 I649 L654 C655 I656 L710 Q713 I714 I717I638-L652 HydrophobicContact CG2-CD2 4.44Å; V642-L652 HydrophobicContact CG1-CD1 4.29Å; V642-L652 HydrophobicContact CG1-CG 4.3Å; V642-L652 HydrophobicContact CG2-CD2 4Å; V642-L652 HydrophobicContact CG2-CG 4.14Å; G648-L652 WeakPolarHBondContact O-CG 3.33Å; G648-L652 PolarHBondContact O-N 3.21Å; I649-L652 PolarHBondContact O-N 3.33Å; L652-L654 VanDerWaalsContact C-N 3.34Å; L652-L654 PolarHBondContact O-N 2.8Å; L652-C655 WeakPolarHBondContact O-CB 3.46Å; L652-C655 PolarHBondContact O-N 3.36Å; L652-C655 VanDerWaalsContact O-N 3.13Å; L652-I656 WeakPolarHBondContact O-CG1 3.28Å; L652-I656 PolarHBondContact O-N 3.03Å; L652-L710 HydrophobicContact CD2-CD2 3.65Å; L652-Q713 HydrophobicContact CD1-CB 4.12Å; L652-Q713 HydrophobicContact CD1-CG 3.67Å; L652-I714 HydrophobicContact CB-CD1 4.02Å; L652-I714 HydrophobicContact CB-CG1 3.68Å; L652-I714 HydrophobicContact CD1-CG1 3.9Å; L652-I714 HydrophobicContact CG-CG1 4.48Å; L652-I717 HydrophobicContact CD1-CD1 3.46Å; L652-I717 VanDerWaalsContact CD1-CD1 3.46Å
653A87.6Confident83.5Confident0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-62.9-40.7176.800000111.5I649 E650 C655 I656 S657 I714 I783 T787I649-A653 VanDerWaalsContact O-CB 3.26Å; I649-A653 WeakPolarHBondContact O-CB 3.4Å; I649-A653 PolarHBondContact O-N 3.15Å; E650-A653 PolarHBondContact O-N 3.47Å; A653-C655 VanDerWaalsContact C-N 3.35Å; A653-C655 PolarHBondContact O-N 2.93Å; A653-I656 WeakPolarHBondContact O-CB 3.49Å; A653-I656 PolarHBondContact O-N 3.43Å; A653-S657 PolarHBondContact O-N 3.1Å; A653-S657 VanDerWaalsContact O-N 3.11Å; A653-I714 HydrophobicContact CB-CD1 4.45Å; A653-I783 HydrophobicContact CB-CG2 3.47Å; A653-I783 VanDerWaalsContact CB-CG2 3.47Å; A653-T787 HydrophobicContact CB-CG2 4.05Å; A653-T787 WeakPolarHBondContact CB-OG1 3.39Å; A653-T787 WeakPolarHBondContact O-CB 3.24Å
654L86.6Confident83.4Confident0 Ų012.9 Ų12.90%06%0.056CC..Hα-helixtrans-63.7-37.9171.4-71.4171000112.5P416 E650 K651 L652 I656 S657 D658 L743 T787P416-L654 HydrophobicContact CB-CD1 4.2Å; P416-L654 HydrophobicContact CB-CD2 3.84Å; P416-L654 HydrophobicContact CG-CD1 4.17Å; E650-L654 HydrophobicContact CG-CD1 4.45Å; E650-L654 WeakPolarHBondContact O-CG 3.26Å; E650-L654 PolarHBondContact O-N 2.98Å; K651-L654 PolarHBondContact O-N 2.96Å; L652-L654 VanDerWaalsContact C-N 3.34Å; L652-L654 PolarHBondContact O-N 2.8Å; L654-I656 VanDerWaalsContact C-N 3.29Å; L654-I656 PolarHBondContact O-N 2.95Å; L654-S657 WeakPolarHBondContact O-CB 3.38Å; L654-S657 PolarHBondContact O-N 3.39Å; L654-D658 PolarHBondContact O-N 3.32Å; L654-L743 HydrophobicContact CD1-CB 3.9Å; L654-L743 HydrophobicContact CD1-CD1 3.72Å; L654-L743 HydrophobicContact CD1-CG 4.43Å; L654-T787 HydrophobicContact CD2-CG2 3.98Å; L654-T787 HydrophobicContact CG-CG2 4.39Å
655C88.1Confident83.4Confident0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-62.6-36.8173.4-64.30000111.9L635 K651 L652 A653 D658 C659 L710L635-C655 HydrophobicContact CD2-CB 4.26Å; K651-C655 PolarHBondContact O-N 3.42Å; K651-C655 PolarHBondContact O-SG 3.33Å; L652-C655 WeakPolarHBondContact O-CB 3.46Å; L652-C655 PolarHBondContact O-N 3.36Å; L652-C655 VanDerWaalsContact O-N 3.13Å; A653-C655 VanDerWaalsContact C-N 3.35Å; A653-C655 PolarHBondContact O-N 2.93Å; C655-D658 PolarHBondContact O-N 3.33Å; C655-C659 WeakPolarHBondContact O-CB 3.38Å; C655-C659 PolarHBondContact O-N 3.38Å; C655-C659 PolarHBondContact O-SG 3.32Å; C655-L710 HydrophobicContact CB-CD1 3.98Å; C655-L710 HydrophobicContact CB-CD2 4.47Å
656I86.5Confident83.6Confident0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-61.1-47.2173.2-69.1172.6000110.5L652 A653 L654 D658 C659 L660 I707 L710 I714 L792 I796L652-I656 WeakPolarHBondContact O-CG1 3.28Å; L652-I656 PolarHBondContact O-N 3.03Å; A653-I656 WeakPolarHBondContact O-CB 3.49Å; A653-I656 PolarHBondContact O-N 3.43Å; L654-I656 VanDerWaalsContact C-N 3.29Å; L654-I656 PolarHBondContact O-N 2.95Å; I656-D658 VanDerWaalsContact C-N 3.31Å; I656-D658 PolarHBondContact O-N 3.08Å; I656-C659 PolarHBondContact O-N 3.01Å; I656-L660 HydrophobicContact CG2-CD1 3.84Å; I656-L660 HydrophobicContact CG2-CG 4.31Å; I656-L660 VanDerWaalsContact O-CG 3.26Å; I656-L660 WeakPolarHBondContact O-CG 3.25Å; I656-L660 PolarHBondContact O-N 3.38Å; I656-I707 HydrophobicContact CG2-CG2 4.17Å; I656-L710 HydrophobicContact CD1-CB 4.03Å; I656-L710 HydrophobicContact CG1-CB 3.67Å; I656-L710 HydrophobicContact CG1-CD1 3.88Å; I656-L710 HydrophobicContact CG1-CG 4.44Å; I656-I714 HydrophobicContact CD1-CD1 3.53Å; I656-L792 HydrophobicContact CG2-CD2 3.61Å; I656-I796 HydrophobicContact CD1-CD1 4.24Å
657S83.5Confident83.4Confident0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-57.4-43.4176.9-1760000112.5I513 Y514 A653 L654 L660 S661 T787I513-S657 VanDerWaalsContact CG2-OG 3.31Å; I513-S657 WeakPolarHBondContact CG2-OG 3.16Å; Y514-S657 VanDerWaalsContact O-CB 3.27Å; Y514-S657 WeakPolarHBondContact O-CB 3.17Å; Y514-S657 PolarHBondContact O-OG 3.31Å; A653-S657 PolarHBondContact O-N 3.1Å; A653-S657 VanDerWaalsContact O-N 3.11Å; L654-S657 WeakPolarHBondContact O-CB 3.38Å; L654-S657 PolarHBondContact O-N 3.39Å; S657-L660 PolarHBondContact O-N 2.98Å; S657-S661 PolarHBondContact O-N 2.89Å; S657-S661 VanDerWaalsContact O-N 3.17Å; S657-S661 PolarHBondContact O-OG 2.85Å; S657-T787 WeakPolarHBondContact CB-O 3.49Å
658D85.9Confident82.9Confident0 Ų05.6 Ų5.60%03%0.028CC..Hα-helixtrans-63.9-46.2176.2-72.2-19.5000111.7F412 G413 I515 S516 L519 L654 C655 I656 L660 S661 L662F412-D658 WeakPolarHBondContact CA-OD2 3.45Å; F412-D658 HydrophobicContact CD1-CB 3.38Å; F412-D658 HydrophobicContact CE1-CB 3.66Å; G413-D658 PolarHBondContact N-OD2 2.7Å; I515-D658 VanDerWaalsContact CG2-OD1 3.27Å; I515-D658 WeakPolarHBondContact CG2-OD1 3.23Å; S516-D658 WeakPolarHBondContact CB-OD1 3.37Å; S516-D658 WeakPolarHBondContact CB-OD2 3.44Å; S516-D658 PolarHBondContact N-OD1 3.28Å; S516-D658 PolarHBondContact OG-OD1 2.98Å; S516-D658 PolarHBondContact OG-OD2 3.11Å; L519-D658 HydrophobicContact CD2-CB 3.45Å; L519-D658 VanDerWaalsContact CD2-CB 3.45Å; L519-D658 VanDerWaalsContact CD2-O 3.28Å; L519-D658 WeakPolarHBondContact CD2-O 3.35Å; L654-D658 PolarHBondContact O-N 3.32Å; C655-D658 PolarHBondContact O-N 3.33Å; I656-D658 VanDerWaalsContact C-N 3.31Å; I656-D658 PolarHBondContact O-N 3.08Å; D658-L660 VanDerWaalsContact C-N 3.34Å; D658-L660 PolarHBondContact O-N 3.48Å; D658-S661 PolarHBondContact O-N 3.08Å; D658-L662 PolarHBondContact O-N 3.4Å
659C86.2Confident82.6Confident0 Ų05.7 Ų5.70%03%0.028CC..Hα-helixtrans-61.1-40.1175.5-71.20000112.6C655 I656 S661 L662 R663 Y703 I707C655-C659 WeakPolarHBondContact O-CB 3.38Å; C655-C659 PolarHBondContact O-N 3.38Å; C655-C659 PolarHBondContact O-SG 3.32Å; I656-C659 PolarHBondContact O-N 3.01Å; C659-S661 PolarHBondContact O-N 3.47Å; C659-L662 PolarHBondContact O-N 3.47Å; C659-R663 WeakPolarHBondContact O-CB 3.48Å; C659-R663 PolarHBondContact O-N 3.09Å; C659-Y703 HydrophobicContact CB-CD1 4.13Å; C659-I707 HydrophobicContact CB-CD1 4.16Å; C659-I707 HydrophobicContact CB-CG1 3.73Å
660L82.6Confident82.1Confident4 Ų45.7 Ų5.72%0.0213%0.028CC..Hα-helixtrans-60.8-36.5176.8-73.4164.1000111.6V452 F453 I656 S657 D658 R663 A664 I707 P789V452-L660 HydrophobicContact CG1-CB 4.5Å; V452-L660 HydrophobicContact CG1-CD2 3.51Å; F453-L660 HydrophobicContact CE1-CB 4.33Å; F453-L660 HydrophobicContact CZ-CB 3.99Å; I656-L660 HydrophobicContact CG2-CD1 3.84Å; I656-L660 HydrophobicContact CG2-CG 4.31Å; I656-L660 VanDerWaalsContact O-CG 3.26Å; I656-L660 WeakPolarHBondContact O-CG 3.25Å; I656-L660 PolarHBondContact O-N 3.38Å; S657-L660 PolarHBondContact O-N 2.98Å; D658-L660 VanDerWaalsContact C-N 3.34Å; D658-L660 PolarHBondContact O-N 3.48Å; L660-R663 PolarHBondContact O-N 2.92Å; L660-A664 WeakPolarHBondContact O-CB 3.37Å; L660-A664 PolarHBondContact O-N 3Å; L660-I707 HydrophobicContact CD2-CD1 3.66Å; L660-I707 HydrophobicContact CG-CD1 3.92Å; L660-P789 VanDerWaalsContact CD1-CD 3.43Å; L660-P789 HydrophobicContact CD1-CG 4.26Å
661S80.3Confident81.4Confident0 Ų07.7 Ų7.70%04%0.042CC..Hα-helixtrans-76.2-38.6-177.5-54.80000111.8I515 S657 D658 C659 A664 L665I515-S661 WeakPolarHBondContact CD1-OG 3.05Å; S657-S661 PolarHBondContact O-N 2.89Å; S657-S661 VanDerWaalsContact O-N 3.17Å; S657-S661 PolarHBondContact O-OG 2.85Å; D658-S661 PolarHBondContact O-N 3.08Å; C659-S661 PolarHBondContact O-N 3.47Å; S661-A664 PolarHBondContact O-N 2.86Å; S661-L665 PolarHBondContact O-N 3.12Å
662L84.4Confident80.5Confident1 Ų16.2 Ų6.21%0.0054%0.037CC..Hα-helixtrans-65-42.7169.6-73171.4000112.1F412 L519 F522 L597 L631 D658 C659 A664 L665 C666 Y703F412-L662 HydrophobicContact CE1-CD1 3.74Å; F412-L662 HydrophobicContact CZ-CD1 3.55Å; L519-L662 HydrophobicContact CD1-CD1 4.12Å; L519-L662 HydrophobicContact CD1-CD2 3.41Å; L519-L662 VanDerWaalsContact CD1-CD2 3.41Å; L519-L662 HydrophobicContact CD1-CG 3.62Å; L519-L662 HydrophobicContact CD2-CG 4.19Å; F522-L662 HydrophobicContact CD1-CD2 4.34Å; F522-L662 HydrophobicContact CE1-CD2 4.17Å; L597-L662 HydrophobicContact CD2-CD2 3.92Å; L631-L662 HydrophobicContact CD1-CD1 4.06Å; D658-L662 PolarHBondContact O-N 3.4Å; C659-L662 PolarHBondContact O-N 3.47Å; L662-A664 VanDerWaalsContact C-N 3.3Å; L662-A664 PolarHBondContact O-N 3.32Å; L662-L665 WeakPolarHBondContact O-CB 3.2Å; L662-L665 PolarHBondContact O-N 3.36Å; L662-C666 PolarHBondContact O-N 3.4Å; L662-C666 PolarHBondContact O-SG 3.22Å; L662-Y703 HydrophobicContact CB-CD1 4.27Å; L662-Y703 HydrophobicContact CB-CD2 4.33Å; L662-Y703 HydrophobicContact CB-CE1 3.86Å; L662-Y703 HydrophobicContact CB-CE2 3.95Å; L662-Y703 HydrophobicContact CD1-CE1 3.67Å; L662-Y703 HydrophobicContact CG-CE1 4.42Å
663R82.5Confident79.6Confident18 Ų186.5 Ų6.57%0.0684%0.038CC..Hα-helixtrans-57.4-44.5174-174.3-159.2161.3152.5-6.4111.4V452 N499 C659 L660 C666 S667 A700 Y703 D704V452-R663 HydrophobicContact CG2-CG 4.1Å; N499-R663 PolarHBondContact OD1-NH2 3.04Å; C659-R663 WeakPolarHBondContact O-CB 3.48Å; C659-R663 PolarHBondContact O-N 3.09Å; L660-R663 PolarHBondContact O-N 2.92Å; R663-C666 PolarHBondContact O-N 3.23Å; R663-S667 PolarHBondContact O-N 3.39Å; R663-S667 PolarHBondContact O-OG 2.9Å; R663-A700 HydrophobicContact CG-CB 4.16Å; R663-Y703 HydrophobicContact CB-CG 4.49Å; R663-D704 WeakPolarHBondContact CD-OD1 3.41Å; R663-D704 IonicContact CZ-OD1 3.08Å; R663-D704 IonicContact CZ-OD2 3.29Å; R663-D704 IonicContact NE-OD1 2.7Å; R663-D704 PolarHBondContact NE-OD1 3.33Å; R663-D704 IonicContact NH1-OD1 2.86Å; R663-D704 PolarHBondContact NH1-OD1 3.07Å; R663-D704 IonicContact NH1-OD2 2.91Å; R663-D704 PolarHBondContact NH1-OD2 2.97Å; R663-D704 VanDerWaalsContact NH1-OD2 3.13Å; R663-D704 IonicContact NH2-OD2 2.91Å
664A77.3Confident78.5Confident0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-66.8-41.3178.300000112L447 T450 F453 L660 S661 L662 C666 S667 L668L447-A664 HydrophobicContact CD2-CB 3.56Å; L447-A664 HydrophobicContact CG-CB 3.79Å; T450-A664 HydrophobicContact CG2-CB 4.19Å; F453-A664 HydrophobicContact CD2-CB 4.03Å; F453-A664 HydrophobicContact CE2-CB 3.73Å; L660-A664 WeakPolarHBondContact O-CB 3.37Å; L660-A664 PolarHBondContact O-N 3Å; S661-A664 PolarHBondContact O-N 2.86Å; L662-A664 VanDerWaalsContact C-N 3.3Å; L662-A664 PolarHBondContact O-N 3.32Å; A664-C666 PolarHBondContact O-N 3.16Å; A664-S667 PolarHBondContact O-N 3.49Å; A664-L668 WeakPolarHBondContact O-CB 3.26Å; A664-L668 PolarHBondContact O-N 3.1Å
665L80.3Confident77.3Confident0 Ų018.2 Ų18.20%09%0.09CC..Hα-helixtrans-56.3-48.6171.5178.363.6000111.5L447 F522 I523 N526 L527 L597 S661 L662 S667 L668 L669L447-L665 HydrophobicContact CD1-CB 4.09Å; L447-L665 HydrophobicContact CD1-CD1 4.41Å; F522-L665 HydrophobicContact CD1-CD2 4.5Å; F522-L665 HydrophobicContact CE1-CD2 4.09Å; I523-L665 HydrophobicContact CG1-CD2 4.29Å; N526-L665 HydrophobicContact CB-CD1 4.27Å; N526-L665 HydrophobicContact CB-CD2 4.29Å; L527-L665 HydrophobicContact CD2-CD1 3.67Å; L527-L665 HydrophobicContact CG-CD1 4Å; L597-L665 HydrophobicContact CD2-CD2 4.33Å; S661-L665 PolarHBondContact O-N 3.12Å; L662-L665 WeakPolarHBondContact O-CB 3.2Å; L662-L665 PolarHBondContact O-N 3.36Å; L665-S667 VanDerWaalsContact C-N 3.32Å; L665-S667 PolarHBondContact O-N 2.94Å; L665-L668 PolarHBondContact O-N 3.34Å; L665-L669 HydrophobicContact CD1-CD1 4.16Å; L665-L669 HydrophobicContact CD1-CG 4.19Å; L665-L669 HydrophobicContact CG-CD1 4.04Å; L665-L669 HydrophobicContact CG-CG 4.46Å; L665-L669 WeakPolarHBondContact O-CB 3.49Å; L665-L669 VanDerWaalsContact O-CG 3.32Å; L665-L669 WeakPolarHBondContact O-CG 3.45Å; L665-L669 PolarHBondContact O-N 3.07Å
666C82.6Confident75.5Confident0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-59-42.8177.4-69.30000112.1L662 R663 A664 A670 C699 A700L662-C666 PolarHBondContact O-N 3.4Å; L662-C666 PolarHBondContact O-SG 3.22Å; R663-C666 PolarHBondContact O-N 3.23Å; A664-C666 PolarHBondContact O-N 3.16Å; C666-A670 WeakPolarHBondContact O-CB 3.15Å; C666-A670 PolarHBondContact O-N 3.3Å; C666-C699 HydrophobicContact CB-CB 4.44Å; C666-A700 HydrophobicContact CB-CB 4.17Å
667S73.1Confident73.6Confident22 Ų2223 Ų2315%0.15411%0.113CC..Hα-helixtrans-66.2-40.7179.2-57.70000111.9R663 A664 L665 A670 S671R663-S667 PolarHBondContact O-N 3.39Å; R663-S667 PolarHBondContact O-OG 2.9Å; A664-S667 PolarHBondContact O-N 3.49Å; L665-S667 VanDerWaalsContact C-N 3.32Å; L665-S667 PolarHBondContact O-N 2.94Å; S667-A670 PolarHBondContact O-N 3.5Å; S667-S671 PolarHBondContact O-N 3.15Å
668L69.9Low71.6Confident12 Ų1229.5 Ų29.56%0.06314%0.143CC..Hα-helixtrans-64.6-49.9176.3-179.463.1000110.9I446 F469 L527 A664 L665 A670 S671 I672I446-L668 HydrophobicContact CG2-CD1 4.01Å; I446-L668 HydrophobicContact CG2-CD2 3.72Å; F469-L668 HydrophobicContact CE1-CD1 4.17Å; L527-L668 HydrophobicContact CD1-CD2 4.13Å; L527-L668 HydrophobicContact CD2-CD2 3.56Å; A664-L668 WeakPolarHBondContact O-CB 3.26Å; A664-L668 PolarHBondContact O-N 3.1Å; L665-L668 PolarHBondContact O-N 3.34Å; L668-A670 VanDerWaalsContact C-N 3.31Å; L668-A670 PolarHBondContact O-N 2.99Å; L668-S671 PolarHBondContact O-N 2.62Å; L668-S671 VanDerWaalsContact O-N 3.11Å; L668-S671 PolarHBondContact O-OG 3.17Å; L668-I672 HydrophobicContact CD1-CD1 3.96Å; L668-I672 HydrophobicContact CD1-CG1 4.35Å; L668-I672 HydrophobicContact CG-CD1 3.92Å; L668-I672 WeakPolarHBondContact O-CG1 3.39Å; L668-I672 PolarHBondContact O-N 2.96Å
669L76.3Confident69.5Low4 Ų438.5 Ų38.52%0.02118%0.183CC..Hα-helixtrans-56.8-46.2176.1-69.5174.4000111.1L531 L593 L597 L665 S671 I672 F673 F696L531-L669 HydrophobicContact CB-CD2 4.5Å; L531-L669 HydrophobicContact CD1-CD2 3.91Å; L531-L669 HydrophobicContact CD2-CD2 4.3Å; L531-L669 HydrophobicContact CG-CD2 4.47Å; L593-L669 HydrophobicContact CD2-CD1 4.16Å; L597-L669 HydrophobicContact CD1-CD1 4.21Å; L665-L669 HydrophobicContact CD1-CD1 4.16Å; L665-L669 HydrophobicContact CD1-CG 4.19Å; L665-L669 HydrophobicContact CG-CD1 4.04Å; L665-L669 HydrophobicContact CG-CG 4.46Å; L665-L669 WeakPolarHBondContact O-CB 3.49Å; L665-L669 VanDerWaalsContact O-CG 3.32Å; L665-L669 WeakPolarHBondContact O-CG 3.45Å; L665-L669 PolarHBondContact O-N 3.07Å; L669-S671 VanDerWaalsContact C-N 3.32Å; L669-S671 PolarHBondContact O-N 3.1Å; L669-I672 PolarHBondContact O-N 3.35Å; L669-F673 HydrophobicContact CB-CD2 4.49Å; L669-F673 HydrophobicContact CD2-CE2 4.5Å; L669-F673 WeakPolarHBondContact O-CD2 3.39Å; L669-F673 PolarHBondContact O-N 3.39Å; L669-F696 HydrophobicContact CB-CD1 4.27Å; L669-F696 HydrophobicContact CB-CD2 4.27Å; L669-F696 HydrophobicContact CB-CE1 4.27Å; L669-F696 HydrophobicContact CB-CE2 4.25Å; L669-F696 HydrophobicContact CB-CG 4.28Å; L669-F696 HydrophobicContact CB-CZ 4.27Å; L669-F696 HydrophobicContact CD1-CD1 4.27Å; L669-F696 HydrophobicContact CD1-CE1 3.76Å; L669-F696 HydrophobicContact CD1-CZ 4.1Å
670A75.1Confident67.7Low0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-55.8-46.6175.600000111.8C666 S667 L668 I672 F673 D674 T693 F696 F697C666-A670 WeakPolarHBondContact O-CB 3.15Å; C666-A670 PolarHBondContact O-N 3.3Å; S667-A670 PolarHBondContact O-N 3.5Å; L668-A670 VanDerWaalsContact C-N 3.31Å; L668-A670 PolarHBondContact O-N 2.99Å; A670-I672 PolarHBondContact O-N 3.47Å; A670-F673 PolarHBondContact O-N 3.43Å; A670-D674 WeakPolarHBondContact O-CB 3.43Å; A670-D674 PolarHBondContact O-N 2.87Å; A670-T693 HydrophobicContact CB-CG2 4.12Å; A670-T693 WeakPolarHBondContact O-CG2 3.28Å; A670-F696 HydrophobicContact CB-CB 3.89Å; A670-F697 HydrophobicContact CB-CD1 4.3Å; A670-F697 HydrophobicContact CB-CD2 4.08Å; A670-F697 HydrophobicContact CB-CE1 4.06Å; A670-F697 HydrophobicContact CB-CE2 3.85Å; A670-F697 HydrophobicContact CB-CG 4.3Å; A670-F697 HydrophobicContact CB-CZ 3.82Å
671S67.8Low65.8Low42 Ų4240.2 Ų40.229%0.29419%0.194SC..Hα-helixtrans-65.4-36.4-179.973.60000113.7S667 L668 L669 D674 R675S667-S671 PolarHBondContact O-N 3.15Å; L668-S671 PolarHBondContact O-N 2.62Å; L668-S671 VanDerWaalsContact O-N 3.11Å; L668-S671 PolarHBondContact O-OG 3.17Å; L669-S671 VanDerWaalsContact C-N 3.32Å; L669-S671 PolarHBondContact O-N 3.1Å; S671-D674 PolarHBondContact O-N 3.25Å; S671-R675 PolarHBondContact O-N 3.38Å
672I66Low64Low28 Ų2846.6 Ų46.614%0.14422%0.221CC..Hα-helixtrans-71.1-44.6179.6-66.8173.5000110.1L531 L535 L668 L669 A670 D674 R675 E676L531-I672 HydrophobicContact CD1-CG2 4.15Å; L531-I672 HydrophobicContact CD2-CD1 3.49Å; L531-I672 VanDerWaalsContact CD2-CD1 3.49Å; L531-I672 HydrophobicContact CD2-CG2 4.46Å; L535-I672 HydrophobicContact CD1-CG2 4.32Å; L668-I672 HydrophobicContact CD1-CD1 3.96Å; L668-I672 HydrophobicContact CD1-CG1 4.35Å; L668-I672 HydrophobicContact CG-CD1 3.92Å; L668-I672 WeakPolarHBondContact O-CG1 3.39Å; L668-I672 PolarHBondContact O-N 2.96Å; L669-I672 PolarHBondContact O-N 3.35Å; A670-I672 PolarHBondContact O-N 3.47Å; I672-D674 PolarHBondContact O-N 2.88Å; I672-R675 PolarHBondContact O-N 3.26Å; I672-E676 HydrophobicContact CG2-CG 4.32Å; I672-E676 PolarHBondContact O-N 2.97Å
673F68.6Low62.1Low6 Ų650 Ų503%0.02625%0.245CC..Hα-helixtrans-66.4-25.3175.2-76.1-66.8000113.2L531 I534 L538 L669 A670 V692 F696L531-F673 HydrophobicContact CD1-CE2 4.48Å; L531-F673 HydrophobicContact CD1-CZ 4.44Å; I534-F673 HydrophobicContact CG2-CE1 4.2Å; I534-F673 HydrophobicContact CG2-CZ 4.1Å; L538-F673 HydrophobicContact CD1-CE1 4.36Å; L669-F673 HydrophobicContact CB-CD2 4.49Å; L669-F673 HydrophobicContact CD2-CE2 4.5Å; L669-F673 WeakPolarHBondContact O-CD2 3.39Å; L669-F673 PolarHBondContact O-N 3.39Å; A670-F673 PolarHBondContact O-N 3.43Å; F673-V692 HydrophobicContact CD2-CG1 4.24Å; F673-V692 HydrophobicContact CG-CG1 4.31Å; F673-F696 HydrophobicContact CD2-CD2 4.1Å; F673-F696 AromaticContact CD2-CE2 3.58Å; F673-F696 HydrophobicContact CD2-CE2 3.58Å; F673-F696 AromaticContact CE2-CE2 3.59Å; F673-F696 HydrophobicContact CE2-CE2 3.59Å; F673-F696 HydrophobicContact CE2-CZ 4.14Å
674D65.9Low60.5Low107 Ų10750 Ų5057%0.57225%0.246SC*.Hα-helixtrans-74.9-42173.6-159.444.9000112.3A670 S671 I672 T693A670-D674 WeakPolarHBondContact O-CB 3.43Å; A670-D674 PolarHBondContact O-N 2.87Å; S671-D674 PolarHBondContact O-N 3.25Å; I672-D674 PolarHBondContact O-N 2.88Å; D674-T693 HydrophobicContact CB-CG2 4.13Å
675R59.6Low59.1Low139 Ų13956.2 Ų56.253%0.52527%0.273SS..Hα-helixtrans-83.9-46-174.9-74.4-171.7174.6-158.5-1.3115S671 I672 N677S671-R675 PolarHBondContact O-N 3.38Å; I672-R675 PolarHBondContact O-N 3.26Å; R675-N677 VanDerWaalsContact C-N 3.26Å; R675-N677 PolarHBondContact O-N 3.16Å
676E51.6Low57.4Low88 Ų8857.4 Ų57.441%0.41128%0.278SS..THydrogen-bonded Turntrans-76.4-9.1-168-74.4-169.4154.100114.4L535 I672L535-E676 WeakPolarHBondContact CD1-OE2 3.27Å; L535-E676 WeakPolarHBondContact CD2-OE2 3.35Å; I672-E676 HydrophobicContact CG2-CG 4.32Å; I672-E676 PolarHBondContact O-N 2.97Å
677N46.6Very low55.8Low12 Ų1264.6 Ų64.66%0.06432%0.316CS..THydrogen-bonded Turntrans-137.947.2-165.6-72.2-59.7000114.4R675 F679 P680 V681R675-N677 VanDerWaalsContact C-N 3.26Å; R675-N677 PolarHBondContact O-N 3.16Å; N677-F679 PolarHBondContact O-N 3.02Å; N677-P680 HydrophobicContact CB-CG 4.43Å; N677-P680 WeakPolarHBondContact O-CD 3.32Å; N677-V681 HydrophobicContact CB-CB 3.5Å; N677-V681 VanDerWaalsContact CB-CB 3.5Å; N677-V681 HydrophobicContact CB-CG2 3.19Å; N677-V681 PolarHBondContact O-N 2.88Å; N677-V681 VanDerWaalsContact O-N 3.15Å
678E42.2Very low54.8Low136 Ų13665.9 Ų65.964%0.63633%0.333SS*.THydrogen-bonded Turntrans-52.5-27.6179.7-108-166151.500114.5
679F41.7Very low54.1Low190 Ų19072.8 Ų72.883%0.83337%0.365SS*.THydrogen-bonded Turntrans-102-43.8177.3-84.3-87.3000115.3N677N677-F679 PolarHBondContact O-N 3.02Å
680P46.8Very low53.1Low28 Ų2877.3 Ų77.318%0.18239%0.386CS..THydrogen-bonded Turntrans-80.1-47.9-177.4-10.525000113.4I542 N677 K682 S683 F684I542-P680 HydrophobicContact CD1-CB 3.79Å; I542-P680 HydrophobicContact CD1-CG 3.28Å; I542-P680 HydrophobicContact CG1-CB 4.15Å; I542-P680 HydrophobicContact CG1-CG 3.97Å; N677-P680 HydrophobicContact CB-CG 4.43Å; N677-P680 WeakPolarHBondContact O-CD 3.32Å; P680-K682 PolarHBondContact O-N 3.38Å; P680-S683 WeakPolarHBondContact O-CB 3.19Å; P680-S683 PolarHBondContact O-N 3.4Å; P680-S683 PolarHBondContact O-OG 3.47Å; P680-F684 WeakPolarHBondContact O-CD2 3.12Å
681V43.1Very low52.7Low11 Ų1180.4 Ų80.47%0.06740%0.403CS..G310 helixtrans-72.9-26.6-167169.40000112.9N677 S683 F684N677-V681 HydrophobicContact CB-CB 3.5Å; N677-V681 VanDerWaalsContact CB-CB 3.5Å; N677-V681 HydrophobicContact CB-CG2 3.19Å; N677-V681 PolarHBondContact O-N 2.88Å; N677-V681 VanDerWaalsContact O-N 3.15Å; V681-S683 PolarHBondContact O-N 2.91Å; V681-F684 HydrophobicContact CG2-CD2 4.39Å; V681-F684 WeakPolarHBondContact O-CA 3.35Å; V681-F684 WeakPolarHBondContact O-CB 3.46Å; V681-F684 PolarHBondContact O-N 3.29Å
682K42Very low52.9Low134 Ų13478.6 Ų78.658%0.58339%0.39SS*.G310 helixtrans-60.6-24.8169.2-74.2179.3-176.3160.60112.9P680P680-K682 PolarHBondContact O-N 3.38Å
683S46.3Very low53.3Low72 Ų7278 Ų7850%0.50339%0.388SS..G310 helixtrans-82.9-15.217280.50000113.7R583 P680 V681 K685R583-S683 PolarHBondContact NH2-OG 2.82Å; R583-S683 VanDerWaalsContact NH2-OG 3.15Å; P680-S683 WeakPolarHBondContact O-CB 3.19Å; P680-S683 PolarHBondContact O-N 3.4Å; P680-S683 PolarHBondContact O-OG 3.47Å; V681-S683 PolarHBondContact O-N 2.91Å; S683-K685 VanDerWaalsContact C-N 3.31Å; S683-K685 PolarHBondContact O-N 3.16Å
684F47.7Very low53.7Low20 Ų2080.1 Ų80.19%0.08840%0.403CS..  trans-80.574.3175.5-82.2-98.1000110.6L538 R583 P680 V681 F686L538-F684 HydrophobicContact CD2-CE1 4.19Å; L538-F684 HydrophobicContact CD2-CE2 4.08Å; L538-F684 HydrophobicContact CD2-CZ 3.5Å; L538-F684 VanDerWaalsContact CD2-CZ 3.5Å; R583-F684 HydrophobicContact CG-CE1 3.79Å; R583-F684 HydrophobicContact CG-CZ 3.96Å; R583-F684 VanDerWaalsContact NE-CZ 3.32Å; P680-F684 WeakPolarHBondContact O-CD2 3.12Å; V681-F684 HydrophobicContact CG2-CD2 4.39Å; V681-F684 WeakPolarHBondContact O-CA 3.35Å; V681-F684 WeakPolarHBondContact O-CB 3.46Å; V681-F684 PolarHBondContact O-N 3.29Å; F684-F686 PolarHBondContact O-N 2.89Å
685K48.2Very low54.3Low130 Ų13077 Ų7757%0.56539%0.386SS*.EExtended strand (participates in β ladder)trans-81.2110.6167.3-67.3-176.4178-178.90109.7S683 N687 G688S683-K685 VanDerWaalsContact C-N 3.31Å; S683-K685 PolarHBondContact O-N 3.16Å; K685-N687 PolarHBondContact O-N 2.87Å; K685-G688 PolarHBondContact O-N 3.39Å
686F45Very low55.4Low25 Ų2570.4 Ų70.411%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-61.2120.5168.8-115.6-99.4000109F587 I590 T591 L594 F684 G688 Q689 H690 V692 L695F587-F686 HydrophobicContact CD1-CZ 4.34Å; F587-F686 HydrophobicContact CD2-CD2 4.14Å; F587-F686 AromaticContact CD2-CE2 3.71Å; F587-F686 HydrophobicContact CD2-CE2 3.71Å; F587-F686 AromaticContact CD2-CZ 3.96Å; F587-F686 HydrophobicContact CD2-CZ 3.96Å; F587-F686 HydrophobicContact CE1-CD1 4.17Å; F587-F686 AromaticContact CE1-CE1 3.69Å; F587-F686 HydrophobicContact CE1-CE1 3.69Å; F587-F686 HydrophobicContact CE1-CE2 4.46Å; F587-F686 AromaticContact CE1-CZ 3.85Å; F587-F686 HydrophobicContact CE1-CZ 3.85Å; F587-F686 HydrophobicContact CE2-CB 4.47Å; F587-F686 AromaticContact CE2-CD1 3.8Å; F587-F686 HydrophobicContact CE2-CD1 3.8Å; F587-F686 AromaticContact CE2-CD2 3.27Å; F587-F686 HydrophobicContact CE2-CD2 3.27Å; F587-F686 AromaticContact CE2-CE1 3.74Å; F587-F686 HydrophobicContact CE2-CE1 3.74Å; F587-F686 AromaticContact CE2-CE2 3.21Å; F587-F686 HydrophobicContact CE2-CE2 3.21Å; F587-F686 AromaticContact CE2-CG 3.57Å; F587-F686 HydrophobicContact CE2-CG 3.57Å; F587-F686 AromaticContact CE2-CZ 3.45Å; F587-F686 HydrophobicContact CE2-CZ 3.45Å; F587-F686 VanDerWaalsContact CE2-CZ 3.45Å; F587-F686 HydrophobicContact CG-CZ 4.4Å; F587-F686 HydrophobicContact CZ-CB 4.49Å; F587-F686 AromaticContact CZ-CD1 3.3Å; F587-F686 HydrophobicContact CZ-CD1 3.3Å; F587-F686 AromaticContact CZ-CD2 3.75Å; F587-F686 HydrophobicContact CZ-CD2 3.75Å; F587-F686 AromaticContact CZ-CE1 3.2Å; F587-F686 HydrophobicContact CZ-CE1 3.2Å; F587-F686 AromaticContact CZ-CE2 3.66Å; F587-F686 HydrophobicContact CZ-CE2 3.66Å; F587-F686 AromaticContact CZ-CG 3.57Å; F587-F686 HydrophobicContact CZ-CG 3.57Å; F587-F686 AromaticContact CZ-CZ 3.39Å; F587-F686 HydrophobicContact CZ-CZ 3.39Å; I590-F686 HydrophobicContact CG2-CE2 4Å; I590-F686 HydrophobicContact CG2-CZ 4.24Å; T591-F686 HydrophobicContact CG2-CE1 4.49Å; T591-F686 WeakPolarHBondContact OG1-CE1 3.48Å; T591-F686 VanDerWaalsContact OG1-CZ 3.26Å; T591-F686 WeakPolarHBondContact OG1-CZ 3.47Å; L594-F686 HydrophobicContact CD1-CE1 4.42Å; L594-F686 HydrophobicContact CD1-CE2 4.14Å; L594-F686 HydrophobicContact CD1-CZ 3.89Å; F684-F686 PolarHBondContact O-N 2.89Å; F686-G688 PolarHBondContact O-N 3.43Å; F686-Q689 PolarHBondContact O-N 3.03Å; F686-H690 VanDerWaalsContact CB-O 3.3Å; F686-H690 WeakPolarHBondContact CB-O 3.37Å; F686-H690 PolarHBondContact N-O 2.68Å; F686-H690 PolarHBondContact O-N 3.05Å; F686-V692 HydrophobicContact CD2-CG2 3.73Å; F686-V692 HydrophobicContact CE2-CG2 3.84Å; F686-L695 HydrophobicContact CB-CD1 3.91Å; F686-L695 HydrophobicContact CD1-CD1 3.83Å; F686-L695 HydrophobicContact CD2-CD1 3.89Å; F686-L695 HydrophobicContact CE1-CD1 4.3Å; F686-L695 HydrophobicContact CE2-CD1 4.35Å; F686-L695 HydrophobicContact CG-CD1 3.61Å
687N48.6Very low56.5Low150 Ų15069.9 Ų69.980%0.80236%0.358SS*.THydrogen-bonded Turntrans45.529.7-176.3-69.5-6.9000114.6K685 Q689K685-N687 PolarHBondContact O-N 2.87Å; N687-Q689 VanDerWaalsContact C-N 3.3Å; N687-Q689 PolarHBondContact O-N 3.32Å
688G52.7Low58Low50 Ų5070.7 Ų70.752%0.51537%0.369SS..THydrogen-bonded Turntrans77.2-3-178.700000116.5K685 F686K685-G688 PolarHBondContact O-N 3.39Å; F686-G688 PolarHBondContact O-N 3.43Å
689Q53.9Low59.8Low157 Ų15764.2 Ų64.273%0.73434%0.339SS*.THydrogen-bonded Turntrans-121.1-38.3-169.6-69.9-175.9-7.800116F686 N687F686-Q689 PolarHBondContact O-N 3.03Å; N687-Q689 VanDerWaalsContact C-N 3.3Å; N687-Q689 PolarHBondContact O-N 3.32Å
690H55Low61.4Low98 Ų9855.5 Ų55.545%0.45430%0.302SS..EExtended strand (participates in β ladder)trans-122.6140.7-171.5-66.6-63.4000112.5F686 L695F686-H690 VanDerWaalsContact CB-O 3.3Å; F686-H690 WeakPolarHBondContact CB-O 3.37Å; F686-H690 PolarHBondContact N-O 2.68Å; F686-H690 PolarHBondContact O-N 3.05Å; H690-L695 HydrophobicContact CB-CD2 4.09Å; H690-L695 HydrophobicContact CB-CG 4.24Å
691N68.2Low62.9Low65 Ų6559.7 Ų59.735%0.34832%0.317SS..EExtended strand (participates in β ladder)trans-79.9146.3171.7-69.11.8000108.9T693 S694 L695N691-T693 PolarHBondContact O-N 2.85Å; N691-T693 VanDerWaalsContact O-N 3.17Å; N691-S694 PolarHBondContact N-OG 2.8Å; N691-S694 WeakPolarHBondContact O-CA 3.46Å; N691-S694 WeakPolarHBondContact O-CB 3.45Å; N691-S694 PolarHBondContact O-N 2.83Å; N691-S694 PolarHBondContact O-OG 3.48Å; N691-L695 PolarHBondContact O-N 3.25Å
692V71.3Confident64.7Low5 Ų564.3 Ų64.33%0.0334%0.338CS..Hα-helixtrans-50.1-43.2177175.10000111.8I590 F673 F686 S694 L695 F696I590-V692 HydrophobicContact CG2-CG1 4.07Å; F673-V692 HydrophobicContact CD2-CG1 4.24Å; F673-V692 HydrophobicContact CG-CG1 4.31Å; F686-V692 HydrophobicContact CD2-CG2 3.73Å; F686-V692 HydrophobicContact CE2-CG2 3.84Å; V692-S694 VanDerWaalsContact C-N 3.3Å; V692-S694 PolarHBondContact O-N 3.39Å; V692-L695 WeakPolarHBondContact O-CB 3.42Å; V692-L695 PolarHBondContact O-N 2.88Å; V692-L695 VanDerWaalsContact O-N 3.09Å; V692-F696 HydrophobicContact CG1-CD2 3.76Å; V692-F696 HydrophobicContact CG1-CE2 3.37Å; V692-F696 HydrophobicContact CG1-CZ 4.4Å; V692-F696 WeakPolarHBondContact O-CD2 3.21Å; V692-F696 PolarHBondContact O-N 2.83Å; V692-F696 VanDerWaalsContact O-N 3.12Å
693T73.7Confident66.7Low15 Ų1558.3 Ų58.39%0.09231%0.312CS..Hα-helixtrans-54-43.3174-50.70000112.8A670 D674 N691 L695 F696 F697A670-T693 HydrophobicContact CB-CG2 4.12Å; A670-T693 WeakPolarHBondContact O-CG2 3.28Å; D674-T693 HydrophobicContact CB-CG2 4.13Å; N691-T693 PolarHBondContact O-N 2.85Å; N691-T693 VanDerWaalsContact O-N 3.17Å; T693-L695 VanDerWaalsContact C-N 3.33Å; T693-L695 PolarHBondContact O-N 3.45Å; T693-F696 PolarHBondContact O-N 3.18Å; T693-F697 HydrophobicContact CG2-CD2 3.9Å; T693-F697 HydrophobicContact CG2-CE2 3.61Å; T693-F697 WeakPolarHBondContact O-CD2 3.31Å; T693-F697 PolarHBondContact O-N 2.96Å; T693-F697 VanDerWaalsContact O-N 3.08Å
694S76.8Confident68.1Low50 Ų5056.5 Ų56.535%0.3530%0.296SS..Hα-helixtrans-69.4-30179.367.10000113N691 V692 G698N691-S694 PolarHBondContact N-OG 2.8Å; N691-S694 WeakPolarHBondContact O-CA 3.46Å; N691-S694 WeakPolarHBondContact O-CB 3.45Å; N691-S694 PolarHBondContact O-N 2.83Å; N691-S694 PolarHBondContact O-OG 3.48Å; V692-S694 VanDerWaalsContact C-N 3.3Å; V692-S694 PolarHBondContact O-N 3.39Å; S694-G698 PolarHBondContact O-N 3.41Å
695L80.2Confident69.7Low43 Ų4359 Ų5923%0.22531%0.313CS..Hα-helixtrans-70.4-44.7175.8-64.5172.4000111L594 F686 H690 N691 V692 T693 F697 G698 C699L594-L695 HydrophobicContact CD1-CB 4.06Å; L594-L695 HydrophobicContact CD1-CD1 3.72Å; L594-L695 HydrophobicContact CD2-CB 3.78Å; F686-L695 HydrophobicContact CB-CD1 3.91Å; F686-L695 HydrophobicContact CD1-CD1 3.83Å; F686-L695 HydrophobicContact CD2-CD1 3.89Å; F686-L695 HydrophobicContact CE1-CD1 4.3Å; F686-L695 HydrophobicContact CE2-CD1 4.35Å; F686-L695 HydrophobicContact CG-CD1 3.61Å; H690-L695 HydrophobicContact CB-CD2 4.09Å; H690-L695 HydrophobicContact CB-CG 4.24Å; N691-L695 PolarHBondContact O-N 3.25Å; V692-L695 WeakPolarHBondContact O-CB 3.42Å; V692-L695 PolarHBondContact O-N 2.88Å; V692-L695 VanDerWaalsContact O-N 3.09Å; T693-L695 VanDerWaalsContact C-N 3.33Å; T693-L695 PolarHBondContact O-N 3.45Å; L695-F697 VanDerWaalsContact C-N 3.33Å; L695-F697 PolarHBondContact O-N 3.27Å; L695-G698 CarbonylContact O-C 3.57Å; L695-G698 VanDerWaalsContact O-CA 3.3Å; L695-G698 WeakPolarHBondContact O-CA 3.31Å; L695-G698 PolarHBondContact O-N 2.97Å; L695-C699 PolarHBondContact O-N 2.91Å; L695-C699 PolarHBondContact O-SG 2.91Å
696F81.5Confident71.4Confident0 Ų053.9 Ų53.90%029%0.294CS..Hα-helixtrans-62.8-37.9174.3-73.9-60.7000112.8L593 L594 L597 L669 A670 F673 V692 T693 G698 C699 A700L593-F696 HydrophobicContact CD2-CE1 4.28Å; L593-F696 HydrophobicContact CD2-CZ 4.14Å; L594-F696 HydrophobicContact CD2-CD1 3.59Å; L594-F696 HydrophobicContact CD2-CD2 4.41Å; L594-F696 HydrophobicContact CD2-CE1 3.55Å; L594-F696 HydrophobicContact CD2-CE2 4.39Å; L594-F696 HydrophobicContact CD2-CG 4.02Å; L594-F696 HydrophobicContact CD2-CZ 3.97Å; L594-F696 HydrophobicContact CG-CE1 4.15Å; L594-F696 HydrophobicContact CG-CZ 4.25Å; L597-F696 HydrophobicContact CD1-CD1 4.15Å; L597-F696 HydrophobicContact CD1-CE1 3.79Å; L669-F696 HydrophobicContact CB-CD1 4.27Å; L669-F696 HydrophobicContact CB-CD2 4.27Å; L669-F696 HydrophobicContact CB-CE1 4.27Å; L669-F696 HydrophobicContact CB-CE2 4.25Å; L669-F696 HydrophobicContact CB-CG 4.28Å; L669-F696 HydrophobicContact CB-CZ 4.27Å; L669-F696 HydrophobicContact CD1-CD1 4.27Å; L669-F696 HydrophobicContact CD1-CE1 3.76Å; L669-F696 HydrophobicContact CD1-CZ 4.1Å; A670-F696 HydrophobicContact CB-CB 3.89Å; F673-F696 HydrophobicContact CD2-CD2 4.1Å; F673-F696 AromaticContact CD2-CE2 3.58Å; F673-F696 HydrophobicContact CD2-CE2 3.58Å; F673-F696 AromaticContact CE2-CE2 3.59Å; F673-F696 HydrophobicContact CE2-CE2 3.59Å; F673-F696 HydrophobicContact CE2-CZ 4.14Å; V692-F696 HydrophobicContact CG1-CD2 3.76Å; V692-F696 HydrophobicContact CG1-CE2 3.37Å; V692-F696 HydrophobicContact CG1-CZ 4.4Å; V692-F696 WeakPolarHBondContact O-CD2 3.21Å; V692-F696 PolarHBondContact O-N 2.83Å; V692-F696 VanDerWaalsContact O-N 3.12Å; T693-F696 PolarHBondContact O-N 3.18Å; F696-G698 VanDerWaalsContact C-N 3.27Å; F696-G698 PolarHBondContact O-N 3.12Å; F696-C699 WeakPolarHBondContact O-CB 3.47Å; F696-C699 PolarHBondContact O-N 3.42Å; F696-A700 PolarHBondContact O-N 3Å
697F76Confident73.3Confident77 Ų7753 Ų5334%0.33829%0.29SS..Hα-helixtrans-65.3-31.8170.5-79.1-54.4000112.7A670 T693 L695 A700 K701A670-F697 HydrophobicContact CB-CD1 4.3Å; A670-F697 HydrophobicContact CB-CD2 4.08Å; A670-F697 HydrophobicContact CB-CE1 4.06Å; A670-F697 HydrophobicContact CB-CE2 3.85Å; A670-F697 HydrophobicContact CB-CG 4.3Å; A670-F697 HydrophobicContact CB-CZ 3.82Å; T693-F697 HydrophobicContact CG2-CD2 3.9Å; T693-F697 HydrophobicContact CG2-CE2 3.61Å; T693-F697 WeakPolarHBondContact O-CD2 3.31Å; T693-F697 PolarHBondContact O-N 2.96Å; T693-F697 VanDerWaalsContact O-N 3.08Å; L695-F697 VanDerWaalsContact C-N 3.33Å; L695-F697 PolarHBondContact O-N 3.27Å; F697-A700 PolarHBondContact O-N 3.15Å; F697-K701 WeakPolarHBondContact O-CG 3.34Å; F697-K701 PolarHBondContact O-N 2.84Å
698G77.2Confident74.8Confident29 Ų2951.7 Ų51.730%0.29927%0.274SS..Hα-helixtrans-59.6-52.1168.800000111.6S694 L695 F696 A700 K701 E702S694-G698 PolarHBondContact O-N 3.41Å; L695-G698 CarbonylContact O-C 3.57Å; L695-G698 VanDerWaalsContact O-CA 3.3Å; L695-G698 WeakPolarHBondContact O-CA 3.31Å; L695-G698 PolarHBondContact O-N 2.97Å; F696-G698 VanDerWaalsContact C-N 3.27Å; F696-G698 PolarHBondContact O-N 3.12Å; G698-A700 VanDerWaalsContact C-N 3.28Å; G698-A700 PolarHBondContact O-N 2.88Å; G698-K701 WeakPolarHBondContact O-CB 3.35Å; G698-K701 PolarHBondContact O-N 3.42Å; G698-K701 VanDerWaalsContact O-N 3.08Å; G698-E702 PolarHBondContact O-N 3.29Å
699C80.6Confident76.4Confident0 Ų053.9 Ų53.90%027%0.273CS..Hα-helixtrans-55.1-44.5175.9-51.90000111.6L597 N598 C666 L695 F696 K701 E702 Y703L597-C699 HydrophobicContact CB-CB 4.42Å; N598-C699 PolarHBondContact OD1-SG 2.72Å; C666-C699 HydrophobicContact CB-CB 4.44Å; L695-C699 PolarHBondContact O-N 2.91Å; L695-C699 PolarHBondContact O-SG 2.91Å; F696-C699 WeakPolarHBondContact O-CB 3.47Å; F696-C699 PolarHBondContact O-N 3.42Å; C699-K701 VanDerWaalsContact C-N 3.28Å; C699-K701 PolarHBondContact O-N 2.81Å; C699-E702 PolarHBondContact O-N 2.95Å; C699-E702 VanDerWaalsContact O-N 3.16Å; C699-Y703 HydrophobicContact CB-CE2 4.5Å; C699-Y703 WeakPolarHBondContact O-CD2 3.36Å; C699-Y703 PolarHBondContact O-N 3.38Å
700A75Confident78Confident6 Ų646.6 Ų46.65%0.0524%0.239CC..Hα-helixtrans-58.5-38.9179.300000112.4R663 C666 F696 F697 G698 Y703 D704R663-A700 HydrophobicContact CG-CB 4.16Å; C666-A700 HydrophobicContact CB-CB 4.17Å; F696-A700 PolarHBondContact O-N 3Å; F697-A700 PolarHBondContact O-N 3.15Å; G698-A700 VanDerWaalsContact C-N 3.28Å; G698-A700 PolarHBondContact O-N 2.88Å; A700-Y703 PolarHBondContact O-N 3.29Å; A700-D704 PolarHBondContact O-N 3.15Å
701K77.6Confident79.5Confident116 Ų11642.8 Ų42.850%0.50422%0.224SC..Hα-helixtrans-67.6-35.8176.5-70177.7-179.1-178.10113F697 G698 C699 Y703 D704 V705F697-K701 WeakPolarHBondContact O-CG 3.34Å; F697-K701 PolarHBondContact O-N 2.84Å; G698-K701 WeakPolarHBondContact O-CB 3.35Å; G698-K701 PolarHBondContact O-N 3.42Å; G698-K701 VanDerWaalsContact O-N 3.08Å; C699-K701 VanDerWaalsContact C-N 3.28Å; C699-K701 PolarHBondContact O-N 2.81Å; K701-Y703 VanDerWaalsContact C-N 3.3Å; K701-Y703 PolarHBondContact O-N 3.4Å; K701-D704 WeakPolarHBondContact O-CB 3.3Å; K701-D704 PolarHBondContact O-N 3.23Å; K701-D704 VanDerWaalsContact O-N 3.14Å; K701-V705 PolarHBondContact O-N 3.2Å; K701-V705 VanDerWaalsContact O-N 3.13Å
702E81.5Confident80.5Confident108 Ų10843.5 Ų43.551%0.50523%0.225SC..Hα-helixtrans-63.6-37.3176-67.2-61.2151.300111.6G698 C699 D704 V705 S706G698-E702 PolarHBondContact O-N 3.29Å; C699-E702 PolarHBondContact O-N 2.95Å; C699-E702 VanDerWaalsContact O-N 3.16Å; E702-D704 VanDerWaalsContact C-N 3.32Å; E702-D704 PolarHBondContact O-N 2.9Å; E702-V705 PolarHBondContact O-N 3.23Å; E702-S706 WeakPolarHBondContact O-CB 3.33Å; E702-S706 PolarHBondContact O-N 3.29Å; E702-S706 PolarHBondContact O-OG 2.68Å
703Y83.3Confident81.3Confident8 Ų845 Ų453%0.03123%0.232CC..Hα-helixtrans-66.7-32.7172.6-69.2-66.4000112.6L597 L631 C659 L662 R663 C699 A700 K701 S706 I707L597-Y703 VanDerWaalsContact O-CE2 3.29Å; L597-Y703 WeakPolarHBondContact O-CE2 3.41Å; L597-Y703 VanDerWaalsContact O-CZ 3.29Å; L597-Y703 PolarHBondContact O-OH 2.81Å; L631-Y703 WeakPolarHBondContact CD1-OH 3.31Å; C659-Y703 HydrophobicContact CB-CD1 4.13Å; L662-Y703 HydrophobicContact CB-CD1 4.27Å; L662-Y703 HydrophobicContact CB-CD2 4.33Å; L662-Y703 HydrophobicContact CB-CE1 3.86Å; L662-Y703 HydrophobicContact CB-CE2 3.95Å; L662-Y703 HydrophobicContact CD1-CE1 3.67Å; L662-Y703 HydrophobicContact CG-CE1 4.42Å; R663-Y703 HydrophobicContact CB-CG 4.49Å; C699-Y703 HydrophobicContact CB-CE2 4.5Å; C699-Y703 WeakPolarHBondContact O-CD2 3.36Å; C699-Y703 PolarHBondContact O-N 3.38Å; A700-Y703 PolarHBondContact O-N 3.29Å; K701-Y703 VanDerWaalsContact C-N 3.3Å; K701-Y703 PolarHBondContact O-N 3.4Å; Y703-S706 WeakPolarHBondContact O-CB 3.37Å; Y703-S706 PolarHBondContact O-N 3.13Å; Y703-I707 WeakPolarHBondContact O-CB 3.15Å; Y703-I707 WeakPolarHBondContact O-CD1 3.37Å; Y703-I707 WeakPolarHBondContact O-CG1 3.47Å; Y703-I707 PolarHBondContact O-N 3.23Å
704D77.1Confident82Confident34 Ų3444.2 Ų44.218%0.18223%0.227CC..Hα-helixtrans-64.2-43.7175.6-64.3-12.5000111.9R663 A700 K701 E702 S706 I707 R708R663-D704 WeakPolarHBondContact CD-OD1 3.41Å; R663-D704 IonicContact CZ-OD1 3.08Å; R663-D704 IonicContact CZ-OD2 3.29Å; R663-D704 IonicContact NE-OD1 2.7Å; R663-D704 PolarHBondContact NE-OD1 3.33Å; R663-D704 IonicContact NH1-OD1 2.86Å; R663-D704 PolarHBondContact NH1-OD1 3.07Å; R663-D704 IonicContact NH1-OD2 2.91Å; R663-D704 PolarHBondContact NH1-OD2 2.97Å; R663-D704 VanDerWaalsContact NH1-OD2 3.13Å; R663-D704 IonicContact NH2-OD2 2.91Å; A700-D704 PolarHBondContact O-N 3.15Å; K701-D704 WeakPolarHBondContact O-CB 3.3Å; K701-D704 PolarHBondContact O-N 3.23Å; K701-D704 VanDerWaalsContact O-N 3.14Å; E702-D704 VanDerWaalsContact C-N 3.32Å; E702-D704 PolarHBondContact O-N 2.9Å; D704-S706 VanDerWaalsContact C-N 3.32Å; D704-I707 PolarHBondContact O-N 2.87Å; D704-R708 PolarHBondContact O-N 3.05Å; D704-R708 VanDerWaalsContact O-N 3.07Å
705V80.5Confident82.5Confident73 Ų7342.3 Ų42.344%0.44221%0.213SC..Hα-helixtrans-63-42.8174.4177.60000110.3K701 E702 R708 L709K701-V705 PolarHBondContact O-N 3.2Å; K701-V705 VanDerWaalsContact O-N 3.13Å; E702-V705 PolarHBondContact O-N 3.23Å; V705-R708 WeakPolarHBondContact O-CB 3.49Å; V705-R708 PolarHBondContact O-N 3.39Å; V705-L709 HydrophobicContact CG1-CD1 4.19Å; V705-L709 WeakPolarHBondContact O-CG 3.43Å; V705-L709 PolarHBondContact O-N 3.08Å
706S83.5Confident82.8Confident23 Ų2344.3 Ų44.316%0.16122%0.224CC..Hα-helixtrans-62-45.5178.2-58.40000112.1E702 Y703 D704 R708 L709 L710E702-S706 WeakPolarHBondContact O-CB 3.33Å; E702-S706 PolarHBondContact O-N 3.29Å; E702-S706 PolarHBondContact O-OG 2.68Å; Y703-S706 WeakPolarHBondContact O-CB 3.37Å; Y703-S706 PolarHBondContact O-N 3.13Å; D704-S706 VanDerWaalsContact C-N 3.32Å; S706-R708 VanDerWaalsContact C-N 3.27Å; S706-R708 PolarHBondContact O-N 3.16Å; S706-L709 PolarHBondContact O-N 3.47Å; S706-L710 VanDerWaalsContact O-CG 3.26Å; S706-L710 WeakPolarHBondContact O-CG 3.4Å; S706-L710 PolarHBondContact O-N 3.36Å
707I84.5Confident83Confident6 Ų644.4 Ų44.43%0.03123%0.225CC..Hα-helixtrans-59.2-41.1175.9-69.9160.4000110.5I656 C659 L660 Y703 D704 L710 S711 L792I656-I707 HydrophobicContact CG2-CG2 4.17Å; C659-I707 HydrophobicContact CB-CD1 4.16Å; C659-I707 HydrophobicContact CB-CG1 3.73Å; L660-I707 HydrophobicContact CD2-CD1 3.66Å; L660-I707 HydrophobicContact CG-CD1 3.92Å; Y703-I707 WeakPolarHBondContact O-CB 3.15Å; Y703-I707 WeakPolarHBondContact O-CD1 3.37Å; Y703-I707 WeakPolarHBondContact O-CG1 3.47Å; Y703-I707 PolarHBondContact O-N 3.23Å; D704-I707 PolarHBondContact O-N 2.87Å; I707-L710 PolarHBondContact O-N 3.04Å; I707-S711 WeakPolarHBondContact O-CB 3.22Å; I707-S711 PolarHBondContact O-N 3.33Å; I707-S711 PolarHBondContact O-OG 2.87Å; I707-L792 HydrophobicContact CG2-CD1 4.37Å; I707-L792 HydrophobicContact CG2-CD2 3.7Å
708R81.8Confident83.5Confident123 Ų12340.8 Ų40.846%0.46421%0.209SC..Hα-helixtrans-62.5-48.9177.3-159.4-174.892.2-165.4-0.8112D704 V705 S706 L710 S711 E712D704-R708 PolarHBondContact O-N 3.05Å; D704-R708 VanDerWaalsContact O-N 3.07Å; V705-R708 WeakPolarHBondContact O-CB 3.49Å; V705-R708 PolarHBondContact O-N 3.39Å; S706-R708 VanDerWaalsContact C-N 3.27Å; S706-R708 PolarHBondContact O-N 3.16Å; R708-L710 VanDerWaalsContact C-N 3.32Å; R708-L710 PolarHBondContact O-N 3.19Å; R708-S711 PolarHBondContact O-N 2.98Å; R708-S711 VanDerWaalsContact O-N 3.14Å; R708-S711 PolarHBondContact O-OG 3.26Å; R708-E712 IonicContact CZ-OE1 3.95Å; R708-E712 IonicContact NE-OE1 3.16Å; R708-E712 PolarHBondContact NE-OE1 3.46Å; R708-E712 IonicContact NH2-OE1 3.13Å; R708-E712 WeakPolarHBondContact O-CG 3.42Å; R708-E712 PolarHBondContact O-N 3.08Å
709L85.6Confident83.9Confident95 Ų9541.6 Ų41.650%0.49721%0.206SC..Hα-helixtrans-61.6-40.6178.4-69.3170.2000112.1V705 S706 S711 E712 Q713V705-L709 HydrophobicContact CG1-CD1 4.19Å; V705-L709 WeakPolarHBondContact O-CG 3.43Å; V705-L709 PolarHBondContact O-N 3.08Å; S706-L709 PolarHBondContact O-N 3.47Å; L709-S711 VanDerWaalsContact C-N 3.33Å; L709-S711 PolarHBondContact O-N 3.35Å; L709-E712 PolarHBondContact O-N 3Å; L709-Q713 WeakPolarHBondContact O-CB 3.44Å; L709-Q713 PolarHBondContact O-N 2.87Å
710L87.5Confident84Confident4 Ų444.5 Ų44.52%0.02122%0.224CC..Hα-helixtrans-64.2-39175.2-67.5170.2000111.6L635 L652 C655 I656 S706 I707 R708 Q713 I714L635-L710 HydrophobicContact CD2-CD1 4.28Å; L652-L710 HydrophobicContact CD2-CD2 3.65Å; C655-L710 HydrophobicContact CB-CD1 3.98Å; C655-L710 HydrophobicContact CB-CD2 4.47Å; I656-L710 HydrophobicContact CD1-CB 4.03Å; I656-L710 HydrophobicContact CG1-CB 3.67Å; I656-L710 HydrophobicContact CG1-CD1 3.88Å; I656-L710 HydrophobicContact CG1-CG 4.44Å; S706-L710 VanDerWaalsContact O-CG 3.26Å; S706-L710 WeakPolarHBondContact O-CG 3.4Å; S706-L710 PolarHBondContact O-N 3.36Å; I707-L710 PolarHBondContact O-N 3.04Å; R708-L710 VanDerWaalsContact C-N 3.32Å; R708-L710 PolarHBondContact O-N 3.19Å; L710-Q713 PolarHBondContact O-N 3.5Å; L710-I714 WeakPolarHBondContact O-CG1 3.35Å; L710-I714 PolarHBondContact O-N 3.08Å
711S86.8Confident84.4Confident19 Ų1945.2 Ų45.213%0.13323%0.225CC..Hα-helixtrans-67.1-39.3177.774.80000113.1I707 R708 L709 I714 T715I707-S711 WeakPolarHBondContact O-CB 3.22Å; I707-S711 PolarHBondContact O-N 3.33Å; I707-S711 PolarHBondContact O-OG 2.87Å; R708-S711 PolarHBondContact O-N 2.98Å; R708-S711 VanDerWaalsContact O-N 3.14Å; R708-S711 PolarHBondContact O-OG 3.26Å; L709-S711 VanDerWaalsContact C-N 3.33Å; L709-S711 PolarHBondContact O-N 3.35Å; S711-I714 PolarHBondContact O-N 3.46Å; S711-T715 PolarHBondContact O-N 2.6Å; S711-T715 PolarHBondContact O-OG1 2.88Å
712E87.6Confident84.6Confident80 Ų8039.7 Ų39.737%0.37420%0.201SC..Hα-helixtrans-62.2-46.4172.8-71171-160.800109.5R708 L709 I714 T715 D716R708-E712 IonicContact CZ-OE1 3.95Å; R708-E712 IonicContact NE-OE1 3.16Å; R708-E712 PolarHBondContact NE-OE1 3.46Å; R708-E712 IonicContact NH2-OE1 3.13Å; R708-E712 WeakPolarHBondContact O-CG 3.42Å; R708-E712 PolarHBondContact O-N 3.08Å; L709-E712 PolarHBondContact O-N 3Å; E712-I714 PolarHBondContact O-N 3.42Å; E712-T715 WeakPolarHBondContact O-CA 3.44Å; E712-T715 WeakPolarHBondContact O-CB 3.21Å; E712-T715 PolarHBondContact O-N 3.02Å; E712-D716 PolarHBondContact O-N 3.49Å
713Q88.8Confident84.5Confident35 Ų3538.4 Ų38.416%0.16419%0.192CC..Hα-helixtrans-62-40.2178.2-171.168.523.900113.4T639 L652 L709 L710 T715 D716 I717T639-Q713 HydrophobicContact CG2-CB 4.47Å; T639-Q713 HydrophobicContact CG2-CG 3.96Å; L652-Q713 HydrophobicContact CD1-CB 4.12Å; L652-Q713 HydrophobicContact CD1-CG 3.67Å; L709-Q713 WeakPolarHBondContact O-CB 3.44Å; L709-Q713 PolarHBondContact O-N 2.87Å; L710-Q713 PolarHBondContact O-N 3.5Å; Q713-T715 PolarHBondContact O-N 2.94Å; Q713-D716 PolarHBondContact O-N 3.5Å; Q713-I717 HydrophobicContact CG-CD1 3.96Å; Q713-I717 HydrophobicContact CG-CG1 4.41Å; Q713-I717 WeakPolarHBondContact O-CG1 3.43Å; Q713-I717 PolarHBondContact O-N 2.8Å
714I89Confident84.1Confident0 Ų043.4 Ų43.40%021%0.214CC..Hα-helixtrans-57.1-38.9174.5-74.8170000110.2I649 L652 A653 I656 L710 S711 E712 S718 I796I649-I714 HydrophobicContact CG2-CG2 4.06Å; L652-I714 HydrophobicContact CB-CD1 4.02Å; L652-I714 HydrophobicContact CB-CG1 3.68Å; L652-I714 HydrophobicContact CD1-CG1 3.9Å; L652-I714 HydrophobicContact CG-CG1 4.48Å; A653-I714 HydrophobicContact CB-CD1 4.45Å; I656-I714 HydrophobicContact CD1-CD1 3.53Å; L710-I714 WeakPolarHBondContact O-CG1 3.35Å; L710-I714 PolarHBondContact O-N 3.08Å; S711-I714 PolarHBondContact O-N 3.46Å; E712-I714 PolarHBondContact O-N 3.42Å; I714-S718 WeakPolarHBondContact O-CB 3.15Å; I714-S718 PolarHBondContact O-N 3.47Å; I714-S718 PolarHBondContact O-OG 3.4Å; I714-I796 HydrophobicContact CG2-CG2 3.94Å
715T86.2Confident83.8Confident9 Ų942.7 Ų42.76%0.05521%0.21CC..Hα-helixtrans-68.9-46.4-179.8-500000111.5S711 E712 Q713 I717 S718 L719 H799 V800S711-T715 PolarHBondContact O-N 2.6Å; S711-T715 PolarHBondContact O-OG1 2.88Å; E712-T715 WeakPolarHBondContact O-CA 3.44Å; E712-T715 WeakPolarHBondContact O-CB 3.21Å; E712-T715 PolarHBondContact O-N 3.02Å; Q713-T715 PolarHBondContact O-N 2.94Å; T715-I717 VanDerWaalsContact C-N 3.34Å; T715-I717 PolarHBondContact O-N 3.37Å; T715-S718 WeakPolarHBondContact O-CB 3.15Å; T715-S718 PolarHBondContact O-N 2.88Å; T715-L719 PolarHBondContact O-N 3.37Å; T715-H799 WeakPolarHBondContact CG2-CD2 3.48Å; T715-H799 PolarHBondContact OG1-CD2 3.19Å; T715-V800 HydrophobicContact CG2-CG2 3.98Å
716D86.8Confident83Confident86 Ų8640.1 Ų40.146%0.4620%0.199SC..Hα-helixtrans-60.9-43.5178-72.5-21.1000111.8E712 Q713 S718 L719 V720E712-D716 PolarHBondContact O-N 3.49Å; Q713-D716 PolarHBondContact O-N 3.5Å; D716-S718 VanDerWaalsContact C-N 3.35Å; D716-S718 PolarHBondContact O-N 3.22Å; D716-L719 PolarHBondContact O-N 2.84Å; D716-V720 VanDerWaalsContact O-CG2 3.31Å; D716-V720 WeakPolarHBondContact O-CG2 3.39Å; D716-V720 PolarHBondContact O-N 3.27Å
717I86.3Confident82Confident1 Ų146.2 Ų46.21%0.00522%0.222CC..Hα-helixtrans-63.3-42.7175.9-67.4172000110.8V642 W644 I649 L652 Q713 T715 L719 V720 Y721V642-I717 HydrophobicContact CG1-CD1 3.64Å; W644-I717 HydrophobicContact CD2-CG1 4.31Å; W644-I717 HydrophobicContact CE3-CB 4.27Å; W644-I717 HydrophobicContact CE3-CG1 3.68Å; W644-I717 HydrophobicContact CZ3-CG1 3.81Å; I649-I717 HydrophobicContact CD1-CG2 4.18Å; I649-I717 HydrophobicContact CG1-CB 4.38Å; I649-I717 HydrophobicContact CG1-CG2 3.79Å; L652-I717 HydrophobicContact CD1-CD1 3.46Å; L652-I717 VanDerWaalsContact CD1-CD1 3.46Å; Q713-I717 HydrophobicContact CG-CD1 3.96Å; Q713-I717 HydrophobicContact CG-CG1 4.41Å; Q713-I717 WeakPolarHBondContact O-CG1 3.43Å; Q713-I717 PolarHBondContact O-N 2.8Å; T715-I717 VanDerWaalsContact C-N 3.34Å; T715-I717 PolarHBondContact O-N 3.37Å; I717-L719 VanDerWaalsContact C-N 3.3Å; I717-L719 PolarHBondContact O-N 3.18Å; I717-V720 PolarHBondContact O-N 3.18Å; I717-Y721 WeakPolarHBondContact O-CB 3.13Å; I717-Y721 PolarHBondContact O-N 3.27Å
718S86.7Confident80.6Confident1 Ų150.5 Ų50.51%0.00725%0.249CC..Hα-helixtrans-60.2-41.2179-59.50000111.9I649 I714 T715 D716 Y722 I780I649-S718 WeakPolarHBondContact CD1-OG 3.34Å; I714-S718 WeakPolarHBondContact O-CB 3.15Å; I714-S718 PolarHBondContact O-N 3.47Å; I714-S718 PolarHBondContact O-OG 3.4Å; T715-S718 WeakPolarHBondContact O-CB 3.15Å; T715-S718 PolarHBondContact O-N 2.88Å; D716-S718 VanDerWaalsContact C-N 3.35Å; D716-S718 PolarHBondContact O-N 3.22Å; S718-Y722 WeakPolarHBondContact O-CB 3.47Å; S718-Y722 PolarHBondContact O-N 2.94Å; S718-I780 VanDerWaalsContact OG-CD1 3.26Å; S718-I780 WeakPolarHBondContact OG-CD1 3.41Å
719L84.6Confident79Confident47 Ų4747.7 Ų47.725%0.24624%0.243CC..Hα-helixtrans-67.7-47.1177.8-166.8100.1000111.9T715 D716 I717 Y721 Y722 Y723 K803T715-L719 PolarHBondContact O-N 3.37Å; D716-L719 PolarHBondContact O-N 2.84Å; I717-L719 VanDerWaalsContact C-N 3.3Å; I717-L719 PolarHBondContact O-N 3.18Å; L719-Y721 VanDerWaalsContact C-N 3.32Å; L719-Y721 PolarHBondContact O-N 3.35Å; L719-Y722 WeakPolarHBondContact O-CB 3.49Å; L719-Y722 PolarHBondContact O-N 3.38Å; L719-Y723 HydrophobicContact CD1-CE2 4.23Å; L719-Y723 HydrophobicContact CD2-CD2 4.18Å; L719-Y723 HydrophobicContact CD2-CE2 3.69Å; L719-Y723 HydrophobicContact CG-CD2 4.01Å; L719-Y723 HydrophobicContact CG-CE2 3.63Å; L719-Y723 WeakPolarHBondContact O-CD2 3.45Å; L719-Y723 PolarHBondContact O-N 3.06Å; L719-K803 HydrophobicContact CD1-CB 3.85Å
720V84.3Confident77.1Confident61 Ų6151.5 Ų51.537%0.3726%0.258SS..Hα-helixtrans-63.1-41.7177.8170.10000110.7W644 D716 I717 Y723 K724W644-V720 HydrophobicContact CB-CG1 4.46Å; W644-V720 HydrophobicContact CD2-CG1 4.35Å; W644-V720 HydrophobicContact CE3-CB 3.78Å; W644-V720 HydrophobicContact CE3-CG1 3.74Å; W644-V720 HydrophobicContact CE3-CG2 3.93Å; W644-V720 HydrophobicContact CZ3-CB 4.16Å; W644-V720 HydrophobicContact CZ3-CG1 4.43Å; W644-V720 HydrophobicContact CZ3-CG2 3.8Å; D716-V720 VanDerWaalsContact O-CG2 3.31Å; D716-V720 WeakPolarHBondContact O-CG2 3.39Å; D716-V720 PolarHBondContact O-N 3.27Å; I717-V720 PolarHBondContact O-N 3.18Å; V720-Y723 PolarHBondContact O-N 2.86Å; V720-K724 WeakPolarHBondContact O-CB 3.26Å; V720-K724 PolarHBondContact O-N 3.31Å
721Y81.7Confident75Confident21 Ų2159.7 Ų59.78%0.08230%0.296CS..Hα-helixtrans-62.8-43.8176.9-175.2-119.1000111.6D645 L646 I717 L719 K724 I725 I776D645-Y721 HydrophobicContact CB-CD2 3.96Å; D645-Y721 HydrophobicContact CB-CE2 3.73Å; L646-Y721 HydrophobicContact CD1-CE1 4.02Å; L646-Y721 HydrophobicContact CD2-CE1 4.43Å; L646-Y721 HydrophobicContact CG-CD1 4.47Å; L646-Y721 HydrophobicContact CG-CE1 3.71Å; I717-Y721 WeakPolarHBondContact O-CB 3.13Å; I717-Y721 PolarHBondContact O-N 3.27Å; L719-Y721 VanDerWaalsContact C-N 3.32Å; L719-Y721 PolarHBondContact O-N 3.35Å; Y721-K724 PolarHBondContact O-N 3.35Å; Y721-I725 HydrophobicContact CD1-CD1 3.73Å; Y721-I725 HydrophobicContact CD2-CD1 4.08Å; Y721-I725 HydrophobicContact CD2-CG1 4.4Å; Y721-I725 HydrophobicContact CE1-CD1 3.28Å; Y721-I725 HydrophobicContact CE1-CG1 4.49Å; Y721-I725 HydrophobicContact CE2-CD1 3.67Å; Y721-I725 HydrophobicContact CE2-CG1 4.11Å; Y721-I725 HydrophobicContact CG-CD1 4.11Å; Y721-I725 WeakPolarHBondContact O-CG1 3.35Å; Y721-I725 PolarHBondContact O-N 2.94Å; Y721-I776 HydrophobicContact CD1-CD1 3.99Å; Y721-I776 HydrophobicContact CD1-CG1 3.92Å; Y721-I776 HydrophobicContact CE1-CD1 4.32Å; Y721-I776 HydrophobicContact CE1-CG1 3.92Å
722Y82.5Confident73Confident0 Ų063.2 Ų63.20%031%0.314CS..Hα-helixtrans-56.4-50.6172.8171.2-109.1000112S718 L719 K724 I725 G726 V773 I776 I804 Q811S718-Y722 WeakPolarHBondContact O-CB 3.47Å; S718-Y722 PolarHBondContact O-N 2.94Å; L719-Y722 WeakPolarHBondContact O-CB 3.49Å; L719-Y722 PolarHBondContact O-N 3.38Å; Y722-K724 PolarHBondContact O-N 3.21Å; Y722-I725 PolarHBondContact O-N 2.84Å; Y722-G726 PolarHBondContact O-N 3.01Å; Y722-V773 HydrophobicContact CD2-CG2 4.15Å; Y722-V773 HydrophobicContact CE2-CG2 3.4Å; Y722-I776 HydrophobicContact CD2-CD1 4.06Å; Y722-I804 HydrophobicContact CD1-CG2 4.49Å; Y722-I804 HydrophobicContact CD2-CG2 4.04Å; Y722-I804 HydrophobicContact CE2-CG2 4.24Å; Y722-I804 HydrophobicContact CG-CG2 4.17Å; Y722-Q811 PolarHBondContact OH-OE1 3.18Å
723Y80.1Confident71.1Confident80 Ų8062.8 Ų62.831%0.31431%0.313SS..Hα-helixtrans-64.5-39.3179.1-75-54.3000112.9L719 V720 G726 F727 S807L719-Y723 HydrophobicContact CD1-CE2 4.23Å; L719-Y723 HydrophobicContact CD2-CD2 4.18Å; L719-Y723 HydrophobicContact CD2-CE2 3.69Å; L719-Y723 HydrophobicContact CG-CD2 4.01Å; L719-Y723 HydrophobicContact CG-CE2 3.63Å; L719-Y723 WeakPolarHBondContact O-CD2 3.45Å; L719-Y723 PolarHBondContact O-N 3.06Å; V720-Y723 PolarHBondContact O-N 2.86Å; Y723-G726 PolarHBondContact O-N 3.35Å; Y723-F727 HydrophobicContact CD1-CD2 4.06Å; Y723-F727 AromaticContact CD1-CE2 3.56Å; Y723-F727 HydrophobicContact CD1-CE2 3.56Å; Y723-F727 HydrophobicContact CE1-CE2 4.17Å; Y723-F727 HydrophobicContact CG-CE2 4.48Å; Y723-F727 WeakPolarHBondContact O-CB 3.44Å; Y723-F727 VanDerWaalsContact O-CD2 3.29Å; Y723-F727 WeakPolarHBondContact O-CD2 3.5Å; Y723-F727 PolarHBondContact O-N 3.4Å; Y723-S807 PolarHBondContact OH-OG 3Å; Y723-S807 VanDerWaalsContact OH-OG 3.11Å
724K74.9Confident69Low113 Ų11366.8 Ų66.849%0.49134%0.336SS..Hα-helixtrans-60.7-50176.8-173.2178.7178.8-176.60110.7V720 Y721 Y722 T728V720-K724 WeakPolarHBondContact O-CB 3.26Å; V720-K724 PolarHBondContact O-N 3.31Å; Y721-K724 PolarHBondContact O-N 3.35Å; Y722-K724 PolarHBondContact O-N 3.21Å; K724-T728 WeakPolarHBondContact O-CB 3.46Å; K724-T728 PolarHBondContact O-N 3.38Å; K724-T728 PolarHBondContact O-OG1 3Å
725I69.6Low67Low20 Ų2073 Ų7310%0.10336%0.36CS..Hα-helixtrans-64.9-45.4178.6-64164.5000111Y721 Y722 F727 I729 S772 I776Y721-I725 HydrophobicContact CD1-CD1 3.73Å; Y721-I725 HydrophobicContact CD2-CD1 4.08Å; Y721-I725 HydrophobicContact CD2-CG1 4.4Å; Y721-I725 HydrophobicContact CE1-CD1 3.28Å; Y721-I725 HydrophobicContact CE1-CG1 4.49Å; Y721-I725 HydrophobicContact CE2-CD1 3.67Å; Y721-I725 HydrophobicContact CE2-CG1 4.11Å; Y721-I725 HydrophobicContact CG-CD1 4.11Å; Y721-I725 WeakPolarHBondContact O-CG1 3.35Å; Y721-I725 PolarHBondContact O-N 2.94Å; Y722-I725 PolarHBondContact O-N 2.84Å; I725-F727 VanDerWaalsContact C-N 3.33Å; I725-F727 PolarHBondContact O-N 3.39Å; I725-I729 HydrophobicContact CB-CD1 4.48Å; I725-I729 HydrophobicContact CG1-CD1 4.12Å; I725-S772 WeakPolarHBondContact CG2-OG 3.35Å; I725-I776 HydrophobicContact CD1-CD1 4.07Å; I725-I776 HydrophobicContact CD1-CG1 4.42Å
726G64.6Low65.1Low19 Ų1974.3 Ų74.320%0.19637%0.367CS..Hα-helixtrans-62.6-35-176.600000113.9Y722 Y723Y722-G726 PolarHBondContact O-N 3.01Å; Y723-G726 PolarHBondContact O-N 3.35Å
727F62.3Low63.1Low150 Ų15073.7 Ų73.766%0.65836%0.364SS*.Hα-helixtrans-104.3-22.7-174.6-71.6-65000115.7Y723 I725Y723-F727 HydrophobicContact CD1-CD2 4.06Å; Y723-F727 AromaticContact CD1-CE2 3.56Å; Y723-F727 HydrophobicContact CD1-CE2 3.56Å; Y723-F727 HydrophobicContact CE1-CE2 4.17Å; Y723-F727 HydrophobicContact CG-CE2 4.48Å; Y723-F727 WeakPolarHBondContact O-CB 3.44Å; Y723-F727 VanDerWaalsContact O-CD2 3.29Å; Y723-F727 WeakPolarHBondContact O-CD2 3.5Å; Y723-F727 PolarHBondContact O-N 3.4Å; I725-F727 VanDerWaalsContact C-N 3.33Å; I725-F727 PolarHBondContact O-N 3.39Å
728T54.6Low61.1Low96 Ų9681.7 Ų81.759%0.58940%0.398SS*.Hα-helixtrans-114.2-17.4-167.667.20000116.1K724 E730K724-T728 WeakPolarHBondContact O-CB 3.46Å; K724-T728 PolarHBondContact O-N 3.38Å; K724-T728 PolarHBondContact O-OG1 3Å; T728-E730 PolarHBondContact O-N 2.92Å
729I48.2Very low59.1Low65 Ų6582.4 Ų82.433%0.33340%0.402SS..  trans-106.275.7-168.5-49.1-179000111.1I725 E731 D732 K768I725-I729 HydrophobicContact CB-CD1 4.48Å; I725-I729 HydrophobicContact CG1-CD1 4.12Å; I729-E731 VanDerWaalsContact C-N 3.26Å; I729-E731 PolarHBondContact O-N 2.74Å; I729-D732 HydrophobicContact CG2-CB 4.11Å; I729-K768 PolarHBondContact O-NZ 2.72Å
730E45.5Very low57.3Low174 Ų17485 Ų8581%0.81342%0.416SS*.SBendtrans-71.7-14.2170.8-109.4-178.6169.200113.3T728 K768T728-E730 PolarHBondContact O-N 2.92Å; E730-K768 PolarHBondContact O-NZ 3.19Å
731E43.9Very low55.8Low176 Ų17682.9 Ų82.982%0.82240%0.403SS*.SBendtrans-122.2-20.3-167.4-65.2-170.3153.200117.8I729I729-E731 VanDerWaalsContact C-N 3.26Å; I729-E731 PolarHBondContact O-N 2.74Å
732D45.4Very low54.3Low94 Ų9488.1 Ų88.150%0.50343%0.431SS..  trans-122.455.8-165.1-85-33.1000116.5I729 N734 Y735I729-D732 HydrophobicContact CG2-CB 4.11Å; D732-N734 PolarHBondContact O-N 3.4Å; D732-Y735 WeakPolarHBondContact O-CB 3.43Å; D732-Y735 PolarHBondContact O-N 3.33Å
733L46.1Very low52.8Low70 Ų7090.9 Ų90.937%0.36645%0.446SS..Hα-helixtrans-60.2-20.2161.3-79173.3000112.1Y735 L736L733-Y735 PolarHBondContact O-N 3.44Å; L733-L736 HydrophobicContact CD2-CD1 3.67Å; L733-L736 WeakPolarHBondContact O-CB 3.45Å; L733-L736 PolarHBondContact O-N 2.82Å; L733-L736 VanDerWaalsContact O-N 3.16Å
734N45.8Very low51.3Low120 Ų12087.3 Ų87.364%0.64243%0.432SS*.Hα-helixtrans-62.8-19.8169.5-84.7-14.8000113.2D732D732-N734 PolarHBondContact O-N 3.4Å
735Y46.3Very low50Low130 Ų13084.6 Ų84.651%0.5143%0.426SS..Hα-helixtrans-70.2-36.8174.2-164.4-95.4000111.4D732 L733 D737 K738 L739D732-Y735 WeakPolarHBondContact O-CB 3.43Å; D732-Y735 PolarHBondContact O-N 3.33Å; L733-Y735 PolarHBondContact O-N 3.44Å; Y735-D737 PolarHBondContact O-N 3.29Å; Y735-K738 CarbonylContact O-C 3.46Å; Y735-K738 WeakPolarHBondContact O-CA 3.27Å; Y735-K738 PolarHBondContact O-N 3.12Å; Y735-L739 HydrophobicContact CD1-CD2 4.04Å; Y735-L739 HydrophobicContact CD1-CG 4.31Å; Y735-L739 HydrophobicContact CE1-CD2 3.68Å; Y735-L739 HydrophobicContact CE1-CG 4.44Å; Y735-L739 PolarHBondContact O-N 3.5Å
736L46.1Very low48.5Very low36 Ų3691.7 Ų91.719%0.18846%0.458CS..Hα-helixtrans-62.6-40.1176.4-94.4132.3000112.5L733 K738 L739 C775L733-L736 HydrophobicContact CD2-CD1 3.67Å; L733-L736 WeakPolarHBondContact O-CB 3.45Å; L733-L736 PolarHBondContact O-N 2.82Å; L733-L736 VanDerWaalsContact O-N 3.16Å; L736-K738 PolarHBondContact O-N 3.43Å; L736-L739 HydrophobicContact CD2-CD1 4.07Å; L736-L739 HydrophobicContact CG-CD1 4.07Å; L736-L739 PolarHBondContact O-N 3.12Å; L736-C775 HydrophobicContact CD2-CB 4.07Å; L736-C775 WeakPolarHBondContact CD2-SG 3.39Å
737D45.6Very low47.4Very low74 Ų7496.6 Ų96.640%0.39648%0.476SS..THydrogen-bonded Turntrans-66.2-16.8174.2-91.65.5000112.9Y735 K754Y735-D737 PolarHBondContact O-N 3.29Å; D737-K754 IonicContact OD1-NZ 3.25Å; D737-K754 WeakPolarHBondContact OD2-CE 3.49Å; D737-K754 IonicContact OD2-NZ 3.1Å; D737-K754 PolarHBondContact OD2-NZ 3.03Å
738K43.5Very low46.3Very low169 Ų16991.4 Ų91.474%0.73545%0.453SS*.THydrogen-bonded Turntrans-103.5-4.5177.6-83.4-176.3179177.10114Y735 L736 N740Y735-K738 CarbonylContact O-C 3.46Å; Y735-K738 WeakPolarHBondContact O-CA 3.27Å; Y735-K738 PolarHBondContact O-N 3.12Å; L736-K738 PolarHBondContact O-N 3.43Å; K738-N740 PolarHBondContact O-N 3.43Å
739L44.5Very low45.6Very low16 Ų1695.9 Ų95.98%0.08446%0.464CS..  trans-63.5105.4172.8-71.8171000106.8L646 Y735 L736 L750L646-L739 HydrophobicContact CD1-CD1 3.93Å; Y735-L739 HydrophobicContact CD1-CD2 4.04Å; Y735-L739 HydrophobicContact CD1-CG 4.31Å; Y735-L739 HydrophobicContact CE1-CD2 3.68Å; Y735-L739 HydrophobicContact CE1-CG 4.44Å; Y735-L739 PolarHBondContact O-N 3.5Å; L736-L739 HydrophobicContact CD2-CD1 4.07Å; L736-L739 HydrophobicContact CG-CD1 4.07Å; L736-L739 PolarHBondContact O-N 3.12Å; L739-L750 VanDerWaalsContact C-CD1 3.44Å; L739-L750 HydrophobicContact CB-CD1 3.74Å; L739-L750 WeakPolarHBondContact O-CD1 3.46Å
740N48.4Very low45.3Very low100 Ų10094 Ų9454%0.53546%0.455SS..  trans-105.4130.3161.1-74.8-27.1000105.1K738 L742K738-N740 PolarHBondContact O-N 3.43Å; N740-L742 PolarHBondContact O-N 3.29Å
741L51.3Low45.2Very low18 Ų1886.7 Ų86.79%0.09442%0.421CS..  trans-54.7128164.7-67.6168.6000107.3L744 L750 I783L741-L744 HydrophobicContact CB-CB 4.36Å; L741-L744 HydrophobicContact CD1-CB 4.37Å; L741-L744 HydrophobicContact CD1-CD1 4.22Å; L741-L750 HydrophobicContact CD1-CD2 4.44Å; L741-L750 HydrophobicContact CD1-CG 4.39Å; L741-L750 HydrophobicContact CD2-CD1 4.32Å; L741-L750 HydrophobicContact CD2-CD2 4.42Å; L741-L750 HydrophobicContact CG-CD1 3.85Å; L741-L750 HydrophobicContact CG-CD2 4.24Å; L741-L750 HydrophobicContact CG-CG 4.05Å; L741-I783 HydrophobicContact CD2-CD1 4.08Å; L741-I783 HydrophobicContact CD2-CG1 4.16Å
742L51.5Low45.2Very low130 Ų13080.4 Ų80.468%0.68140%0.396SS*.SBendtrans-82.2-28.9-171.9-77.7171.8000111.5N647 E650 N740N647-L742 HydrophobicContact CB-CD1 4.45Å; E650-L742 PolarHBondContact OE2-N 3.5Å; N740-L742 PolarHBondContact O-N 3.29Å
743L49.6Very low44.9Very low58 Ų5877.8 Ų77.830%0.30438%0.382SS..SBendtrans-106.4-39.1-170.2-60.3169.4000112P416 E650 L654P416-L743 HydrophobicContact CG-CB 3.99Å; P416-L743 WeakPolarHBondContact CG-O 3.5Å; E650-L743 HydrophobicContact CG-CB 4.33Å; E650-L743 HydrophobicContact CG-CD1 4.41Å; E650-L743 WeakPolarHBondContact OE1-CB 3.47Å; E650-L743 PolarHBondContact OE1-N 3.24Å; E650-L743 PolarHBondContact OE2-N 3.04Å; L654-L743 HydrophobicContact CD1-CB 3.9Å; L654-L743 HydrophobicContact CD1-CD1 3.72Å; L654-L743 HydrophobicContact CD1-CG 4.43Å
744L49Very low44.6Very low6 Ų680.5 Ų80.53%0.03139%0.391CS..SBendtrans-77.1143.3177.1-70.4165.8000112.1Y514 E650 L741Y514-L744 HydrophobicContact CD1-CD2 3.77Å; Y514-L744 HydrophobicContact CD2-CD2 3.41Å; Y514-L744 VanDerWaalsContact CD2-CD2 3.41Å; Y514-L744 HydrophobicContact CE1-CD2 3.96Å; Y514-L744 HydrophobicContact CE2-CD2 3.63Å; Y514-L744 HydrophobicContact CG-CD2 3.46Å; Y514-L744 VanDerWaalsContact CG-CD2 3.46Å; E650-L744 HydrophobicContact CG-CD1 4.38Å; E650-L744 WeakPolarHBondContact OE1-CB 3.31Å; E650-L744 VanDerWaalsContact OE1-CG 3.29Å; E650-L744 WeakPolarHBondContact OE1-CG 3.42Å; E650-L744 PolarHBondContact OE1-N 2.77Å; L741-L744 HydrophobicContact CB-CB 4.36Å; L741-L744 HydrophobicContact CD1-CB 4.37Å; L741-L744 HydrophobicContact CD1-CD1 4.22Å
745P48.2Very low44.4Very low55 Ų5578.4 Ų78.436%0.35739%0.386SS..  trans-59.2147.7-174.1-22.731.8000114.8Y514 Q747 F748Y514-P745 HydrophobicContact CE1-CG 3.67Å; Y514-P745 WeakPolarHBondContact OH-CD 3.16Å; P745-Q747 PolarHBondContact O-N 2.97Å; P745-F748 PolarHBondContact O-N 3.16Å
746H37.8Very low44.3Very low169 Ų16973.1 Ų73.178%0.78237%0.366SS*.THydrogen-bonded Turntrans-52.6-7.8-179-69.5-30.4000117.5F748H746-F748 PolarHBondContact O-N 3.17Å
747Q40.8Very low44.3Very low123 Ų12373.4 Ų73.458%0.57537%0.368SS*.THydrogen-bonded Turntrans-65.3-15.5174.9-69.1-176.7-18.600112.4P745P745-Q747 PolarHBondContact O-N 2.97Å
748F40.1Very low44.2Very low40 Ų4072.2 Ų72.218%0.17537%0.373CS..  trans-98.695.7171.1-67.3-83.4000110.3P745 H746 L750 P1406P745-F748 PolarHBondContact O-N 3.16Å; H746-F748 PolarHBondContact O-N 3.17Å; F748-L750 PolarHBondContact O-N 3.31Å; F748-P1406 HydrophobicContact CE1-CG 4.43Å
749K40.5Very low44Very low190 Ų19069 Ų6983%0.82637%0.368SS*.  trans-68.3113.4154-78.9-180179.1174.60106.3Q751K749-Q751 PolarHBondContact O-N 3.14Å
750L41.6Very low43.5Very low26 Ų2674.9 Ų74.914%0.13640%0.395CS..  trans-45.5133.6160.7-80.9156000107.4L739 L741 F748 S752 N779L739-L750 VanDerWaalsContact C-CD1 3.44Å; L739-L750 HydrophobicContact CB-CD1 3.74Å; L739-L750 WeakPolarHBondContact O-CD1 3.46Å; L741-L750 HydrophobicContact CD1-CD2 4.44Å; L741-L750 HydrophobicContact CD1-CG 4.39Å; L741-L750 HydrophobicContact CD2-CD1 4.32Å; L741-L750 HydrophobicContact CD2-CD2 4.42Å; L741-L750 HydrophobicContact CG-CD1 3.85Å; L741-L750 HydrophobicContact CG-CD2 4.24Å; L741-L750 HydrophobicContact CG-CG 4.05Å; F748-L750 PolarHBondContact O-N 3.31Å; L750-S752 PolarHBondContact O-N 3.25Å; L750-N779 HydrophobicContact CD2-CB 3.97Å; L750-N779 WeakPolarHBondContact CD2-OD1 3.41Å
751Q44.2Very low43.2Very low20 Ų2074 Ų749%0.09340%0.397CS..  trans-63.992.3-179.4-75.7177-15.100107.8K749 I756 W774 S778 N1407K749-Q751 PolarHBondContact O-N 3.14Å; Q751-I756 HydrophobicContact CB-CD1 3.98Å; Q751-I756 HydrophobicContact CG-CD1 3.72Å; Q751-I756 VanDerWaalsContact NE2-CD1 3.29Å; Q751-W774 HydrophobicContact CB-CH2 3.98Å; Q751-S778 PolarHBondContact OE1-OG 3.45Å; Q751-S778 VanDerWaalsContact OE1-OG 3.14Å; Q751-N1407 PolarHBondContact NE2-O 2.89Å
752S42.2Very low43Very low44 Ų4477.5 Ų77.531%0.30842%0.416SS..  trans-58.6141.1165.865.60000106.9L750 K754L750-S752 PolarHBondContact O-N 3.25Å; S752-K754 PolarHBondContact O-N 3.47Å
753N39.1Very low42.9Very low39 Ų3972.4 Ų72.421%0.20939%0.389CS..THydrogen-bonded Turntrans-46.6-13.6-178.7-72.1-13.8000115.3W774N753-W774 WeakPolarHBondContact OD1-CZ3 3.39Å
754K41.6Very low43.1Very low127 Ų12778.6 Ų78.655%0.55241%0.413SS*.THydrogen-bonded Turntrans-70.7-28.8-170.1-69.6175.9-174.4151.40116.3D737 S752D737-K754 IonicContact OD1-NZ 3.25Å; D737-K754 WeakPolarHBondContact OD2-CE 3.49Å; D737-K754 IonicContact OD2-NZ 3.1Å; D737-K754 PolarHBondContact OD2-NZ 3.03Å; S752-K754 PolarHBondContact O-N 3.47Å
755S40.8Very low43.6Very low77 Ų7781.3 Ų81.354%0.53843%0.426SS..THydrogen-bonded Turntrans-96.3-23.1-172.7610000115
756I44.5Very low44.5Very low18 Ų1879.5 Ų79.59%0.09241%0.413CS..THydrogen-bonded Turntrans-107.5-40.9-163.3-71.1162.5000113.7Q751 W774 I1410Q751-I756 HydrophobicContact CB-CD1 3.98Å; Q751-I756 HydrophobicContact CG-CD1 3.72Å; Q751-I756 VanDerWaalsContact NE2-CD1 3.29Å; I756-W774 HydrophobicContact CB-CZ2 4.29Å; I756-W774 HydrophobicContact CD1-CH2 4.05Å; I756-W774 HydrophobicContact CD1-CZ2 3.7Å; I756-W774 HydrophobicContact CG2-CZ2 4.11Å; I756-I1410 WeakPolarHBondContact CG2-O 3.43Å
757L45.6Very low46Very low42 Ų4273 Ų7322%0.2239%0.386CS..SBendtrans-85.5118.3168.1-92.661000105.7I763 L766 L1412L757-I763 HydrophobicContact CB-CD1 3.2Å; L757-I763 HydrophobicContact CB-CG1 3.69Å; L757-I763 HydrophobicContact CD2-CB 4.39Å; L757-I763 HydrophobicContact CD2-CD1 3.66Å; L757-I763 HydrophobicContact CD2-CG1 3.69Å; L757-I763 HydrophobicContact CD2-CG2 3.94Å; L757-I763 HydrophobicContact CG-CD1 4.04Å; L757-I763 HydrophobicContact CG-CG1 4.25Å; L757-L766 HydrophobicContact CD2-CD1 4.44Å; L757-L1412 HydrophobicContact CD1-CD1 3.93Å
758G43.1Very low47.3Very low50 Ų5070.5 Ų70.552%0.51537%0.374SS..SBendtrans-47.7166.2179.600000113.5Q760G758-Q760 PolarHBondContact O-N 3.39Å
759T38.9Very low48.8Very low102 Ų10269.9 Ų69.963%0.62637%0.374SS*.SBendtrans-0.3114.2179.6420000114.8S761 D762T759-S761 WeakPolarHBondContact O-CA 3.34Å; T759-S761 PolarHBondContact O-N 3.37Å; T759-S761 PolarHBondContact O-OG 3.35Å; T759-S761 VanDerWaalsContact O-OG 3.11Å; T759-D762 PolarHBondContact O-N 3.23Å
760Q34.9Very low50.4Low139 Ų13961 Ų6165%0.6534%0.335SS*.THydrogen-bonded Turntrans-38.6-15.3-178.9-72.8178.4-15.500117.7G758 D762G758-Q760 PolarHBondContact O-N 3.39Å; Q760-D762 VanDerWaalsContact C-N 3.29Å
761S41.3Very low51.8Low81 Ų8160.8 Ų60.857%0.56633%0.333SS*.THydrogen-bonded Turntrans-58.9-34.3167.949.90000113.8T759T759-S761 WeakPolarHBondContact O-CA 3.34Å; T759-S761 PolarHBondContact O-N 3.37Å; T759-S761 PolarHBondContact O-OG 3.35Å; T759-S761 VanDerWaalsContact O-OG 3.11Å
762D47.5Very low53.2Low92 Ų9260.1 Ų60.149%0.49233%0.331SS..THydrogen-bonded Turntrans-88.3-14.1-163-59.7-4.3000112.9T759 Q760 H765T759-D762 PolarHBondContact O-N 3.23Å; Q760-D762 VanDerWaalsContact C-N 3.29Å; D762-H765 PolarHBondContact O-CE1 2.99Å; D762-H765 PolarHBondContact O-ND1 3.49Å
763I49.4Very low54.9Low22 Ų2258 Ų5811%0.11332%0.316CS..THydrogen-bonded Turntrans-98-28.1-174.8-42.8178.8000112.6L757 H765 L766 Q771L757-I763 HydrophobicContact CB-CD1 3.2Å; L757-I763 HydrophobicContact CB-CG1 3.69Å; L757-I763 HydrophobicContact CD2-CB 4.39Å; L757-I763 HydrophobicContact CD2-CD1 3.66Å; L757-I763 HydrophobicContact CD2-CG1 3.69Å; L757-I763 HydrophobicContact CD2-CG2 3.94Å; L757-I763 HydrophobicContact CG-CD1 4.04Å; L757-I763 HydrophobicContact CG-CG1 4.25Å; I763-H765 PolarHBondContact O-N 3.44Å; I763-L766 HydrophobicContact CG2-CD1 4.26Å; I763-L766 PolarHBondContact O-N 3.35Å; I763-Q771 HydrophobicContact CG2-CG 4.3Å; I763-Q771 PolarHBondContact O-NE2 3.43Å
764K53.6Low56.7Low189 Ų18956.6 Ų56.682%0.82231%0.308SS*.THydrogen-bonded Turntrans-56.9-20.5-170.7-82-173.1178.5-179.90113.9
765H61.2Low58.1Low63 Ų6350.8 Ų50.829%0.29228%0.284SS..THydrogen-bonded Turntrans-88.1-16.5179.872.9-103.5000113.6D762 I763 Q826 D829D762-H765 PolarHBondContact O-CE1 2.99Å; D762-H765 PolarHBondContact O-ND1 3.49Å; I763-H765 PolarHBondContact O-N 3.44Å; H765-Q826 WeakPolarHBondContact O-CG 3.43Å; H765-Q826 PolarHBondContact O-NE2 3.13Å; H765-Q826 PolarHBondContact O-OE1 3.22Å; H765-D829 IonicContact CE1-OD2 2.96Å; H765-D829 PolarHBondContact CE1-OD2 2.89Å; H765-D829 VanDerWaalsContact CE1-OD2 3.25Å; H765-D829 VanDerWaalsContact NE2-CB 3.31Å; H765-D829 WeakPolarHBondContact NE2-CB 3.47Å; H765-D829 IonicContact NE2-OD2 3.79Å; H765-D829 PolarHBondContact NE2-OD2 3.49Å; H765-D829 VanDerWaalsContact NE2-OD2 3.1Å
766L66.4Low60Low16 Ų1647.3 Ų47.38%0.08426%0.259CS..SBendtrans-77145.9-176.9-62.4170.9000111.6L757 I763 Q771 D829 E830 L833L757-L766 HydrophobicContact CD2-CD1 4.44Å; I763-L766 HydrophobicContact CG2-CD1 4.26Å; I763-L766 PolarHBondContact O-N 3.35Å; L766-Q771 HydrophobicContact CB-CG 4.06Å; L766-Q771 PolarHBondContact O-NE2 3.15Å; L766-D829 HydrophobicContact CD2-CB 3.82Å; L766-E830 HydrophobicContact CD2-CB 4.36Å; L766-E830 HydrophobicContact CD2-CG 3.55Å; L766-L833 HydrophobicContact CD1-CD2 3.88Å
767S69.6Low61.9Low33 Ų3346.4 Ų46.423%0.23125%0.254CS..  trans-67.1139.9175.763.90000111.7P769 I770 Q771 E830S767-P769 VanDerWaalsContact C-CD 3.43Å; S767-I770 PolarHBondContact O-N 3.34Å; S767-I770 VanDerWaalsContact OG-CD1 3.22Å; S767-I770 WeakPolarHBondContact OG-CD1 3.08Å; S767-I770 WeakPolarHBondContact OG-CG1 3.47Å; S767-Q771 PolarHBondContact O-N 3.01Å; S767-E830 WeakPolarHBondContact CA-OE1 3.46Å; S767-E830 WeakPolarHBondContact CB-OE1 3.06Å; S767-E830 PolarHBondContact N-OE1 3.3Å; S767-E830 PolarHBondContact OG-OE1 3.2Å
768K68.2Low63.4Low70 Ų7044.5 Ų44.530%0.30425%0.245SC..Hα-helixtrans-57.8-39.7-177.8-67.7178.5176.4177.40114.5I729 E730 I770 Q771 S772I729-K768 PolarHBondContact O-NZ 2.72Å; E730-K768 PolarHBondContact O-NZ 3.19Å; K768-I770 VanDerWaalsContact C-N 3.26Å; K768-I770 PolarHBondContact O-N 3.17Å; K768-Q771 PolarHBondContact O-N 3.03Å; K768-S772 WeakPolarHBondContact O-CB 3.49Å; K768-S772 PolarHBondContact O-N 3.41Å; K768-S772 PolarHBondContact O-OG 3.03Å
769P71.4Confident65.1Low27 Ų2742.3 Ų42.318%0.17522%0.221CC..Hα-helixtrans-57-41.7177.4-24.634.5000112S767 S772 V773S767-P769 VanDerWaalsContact C-CD 3.43Å; P769-S772 WeakPolarHBondContact O-CB 3.17Å; P769-S772 PolarHBondContact O-N 3.09Å; P769-S772 VanDerWaalsContact O-N 3.17Å; P769-V773 PolarHBondContact O-N 3.45Å; P769-V773 VanDerWaalsContact O-N 3.13Å
770I74.3Confident67.3Low5 Ų537.4 Ų37.43%0.02619%0.191CC..Hα-helixtrans-73-40.6-176.1-60.1177.4000111.2S767 K768 S772 V773 L812 E830 L833 I834S767-I770 PolarHBondContact O-N 3.34Å; S767-I770 VanDerWaalsContact OG-CD1 3.22Å; S767-I770 WeakPolarHBondContact OG-CD1 3.08Å; S767-I770 WeakPolarHBondContact OG-CG1 3.47Å; K768-I770 VanDerWaalsContact C-N 3.26Å; K768-I770 PolarHBondContact O-N 3.17Å; I770-S772 PolarHBondContact O-N 2.94Å; I770-V773 PolarHBondContact O-N 3.38Å; I770-L812 HydrophobicContact CD1-CD1 3.95Å; I770-L812 HydrophobicContact CD1-CD2 3.43Å; I770-L812 VanDerWaalsContact CD1-CD2 3.43Å; I770-L812 HydrophobicContact CD1-CG 3.76Å; I770-E830 HydrophobicContact CD1-CB 3.64Å; I770-E830 VanDerWaalsContact CD1-CD 3.44Å; I770-E830 HydrophobicContact CD1-CG 3.58Å; I770-E830 WeakPolarHBondContact CD1-OE2 3.33Å; I770-L833 HydrophobicContact CG2-CB 4.46Å; I770-L833 HydrophobicContact CG2-CD2 3.73Å; I770-L833 HydrophobicContact CG2-CG 4.15Å; I770-I834 HydrophobicContact CG2-CD1 3.96Å; I770-I834 HydrophobicContact CG2-CG1 4.17Å
771Q70.4Confident69.7Low20 Ų2031 Ų319%0.09316%0.161CC..Hα-helixtrans-58.5-36.5170.9-64.3178.617.500111.5I763 L766 S767 K768 C775I763-Q771 HydrophobicContact CG2-CG 4.3Å; I763-Q771 PolarHBondContact O-NE2 3.43Å; L766-Q771 HydrophobicContact CB-CG 4.06Å; L766-Q771 PolarHBondContact O-NE2 3.15Å; S767-Q771 PolarHBondContact O-N 3.01Å; K768-Q771 PolarHBondContact O-N 3.03Å; Q771-C775 PolarHBondContact O-N 2.89Å
772S72.9Confident71.5Confident6 Ų627.7 Ų27.74%0.04214%0.137CC..Hα-helixtrans-69.9-33.6-178.5-54.60000112.4I725 K768 P769 I770 W774 C775 I776I725-S772 WeakPolarHBondContact CG2-OG 3.35Å; K768-S772 WeakPolarHBondContact O-CB 3.49Å; K768-S772 PolarHBondContact O-N 3.41Å; K768-S772 PolarHBondContact O-OG 3.03Å; P769-S772 WeakPolarHBondContact O-CB 3.17Å; P769-S772 PolarHBondContact O-N 3.09Å; P769-S772 VanDerWaalsContact O-N 3.17Å; I770-S772 PolarHBondContact O-N 2.94Å; S772-W774 VanDerWaalsContact C-N 3.34Å; S772-W774 PolarHBondContact O-N 3.08Å; S772-C775 PolarHBondContact O-N 3.42Å; S772-I776 WeakPolarHBondContact O-CB 3.36Å; S772-I776 WeakPolarHBondContact O-CD1 3.41Å; S772-I776 WeakPolarHBondContact O-CG1 3.37Å; S772-I776 PolarHBondContact O-N 3.38Å
773V79.6Confident73.1Confident0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-54.2-51.5176.3177.20000110.9Y722 P769 I770 C775 I776 L777 I804 A808 I837Y722-V773 HydrophobicContact CD2-CG2 4.15Å; Y722-V773 HydrophobicContact CE2-CG2 3.4Å; P769-V773 PolarHBondContact O-N 3.45Å; P769-V773 VanDerWaalsContact O-N 3.13Å; I770-V773 PolarHBondContact O-N 3.38Å; V773-C775 PolarHBondContact O-N 2.83Å; V773-I776 PolarHBondContact O-N 3.07Å; V773-L777 HydrophobicContact CG1-CD1 3.91Å; V773-L777 HydrophobicContact CG1-CG 4.47Å; V773-L777 WeakPolarHBondContact O-CB 3.12Å; V773-L777 WeakPolarHBondContact O-CG 3.47Å; V773-L777 PolarHBondContact O-N 3.42Å; V773-I804 HydrophobicContact CB-CG2 4.26Å; V773-I804 HydrophobicContact CG1-CG2 3.69Å; V773-I804 HydrophobicContact CG2-CG2 3.9Å; V773-A808 HydrophobicContact CG2-CB 3.98Å; V773-I837 HydrophobicContact CB-CD1 4.03Å; V773-I837 HydrophobicContact CG1-CD1 3.9Å; V773-I837 HydrophobicContact CG1-CG2 3.76Å
774W75Confident74.7Confident9 Ų922.3 Ų22.33%0.03411%0.109CC..Hα-helixtrans-60.4-47.3-179.7169.774.3000111.5Q751 N753 I756 S772 I776 L777 S778 I837 L1412Q751-W774 HydrophobicContact CB-CH2 3.98Å; N753-W774 WeakPolarHBondContact OD1-CZ3 3.39Å; I756-W774 HydrophobicContact CB-CZ2 4.29Å; I756-W774 HydrophobicContact CD1-CH2 4.05Å; I756-W774 HydrophobicContact CD1-CZ2 3.7Å; I756-W774 HydrophobicContact CG2-CZ2 4.11Å; S772-W774 VanDerWaalsContact C-N 3.34Å; S772-W774 PolarHBondContact O-N 3.08Å; W774-I776 PolarHBondContact O-N 2.88Å; W774-L777 PolarHBondContact O-N 2.92Å; W774-S778 VanDerWaalsContact O-CB 3.3Å; W774-S778 WeakPolarHBondContact O-CB 3.31Å; W774-S778 PolarHBondContact O-N 3.31Å; W774-I837 HydrophobicContact CB-CD1 3.93Å; W774-I837 HydrophobicContact CB-CG1 4.1Å; W774-L1412 HydrophobicContact CD2-CD1 4.44Å; W774-L1412 HydrophobicContact CG-CD1 3.94Å
775C72.4Confident75.9Confident6 Ų613.5 Ų13.54%0.0417%0.071CC..Hα-helixtrans-63.6-43.7-176.8-166.10000111.4L736 Q771 S772 V773 N779L736-C775 HydrophobicContact CD2-CB 4.07Å; L736-C775 WeakPolarHBondContact CD2-SG 3.39Å; Q771-C775 PolarHBondContact O-N 2.89Å; S772-C775 PolarHBondContact O-N 3.42Å; V773-C775 PolarHBondContact O-N 2.83Å; C775-N779 VanDerWaalsContact O-CB 3.27Å; C775-N779 WeakPolarHBondContact O-CB 3.31Å; C775-N779 PolarHBondContact O-N 3.04Å; C775-N779 PolarHBondContact O-ND2 3.33Å; C775-N779 PolarHBondContact SG-ND2 3.14Å
776I79.9Confident76.5Confident3 Ų311.1 Ų11.12%0.0156%0.06CC..Hα-helixtrans-60.1-52.1177.2-68.1166.6000110.3Y721 Y722 I725 S772 V773 W774 S778 N779 I780 I804Y721-I776 HydrophobicContact CD1-CD1 3.99Å; Y721-I776 HydrophobicContact CD1-CG1 3.92Å; Y721-I776 HydrophobicContact CE1-CD1 4.32Å; Y721-I776 HydrophobicContact CE1-CG1 3.92Å; Y722-I776 HydrophobicContact CD2-CD1 4.06Å; I725-I776 HydrophobicContact CD1-CD1 4.07Å; I725-I776 HydrophobicContact CD1-CG1 4.42Å; S772-I776 WeakPolarHBondContact O-CB 3.36Å; S772-I776 WeakPolarHBondContact O-CD1 3.41Å; S772-I776 WeakPolarHBondContact O-CG1 3.37Å; S772-I776 PolarHBondContact O-N 3.38Å; V773-I776 PolarHBondContact O-N 3.07Å; W774-I776 PolarHBondContact O-N 2.88Å; I776-S778 PolarHBondContact O-N 3.36Å; I776-N779 PolarHBondContact O-N 3.17Å; I776-I780 HydrophobicContact CG2-CD1 3.56Å; I776-I780 HydrophobicContact CG2-CG1 4.36Å; I776-I780 WeakPolarHBondContact O-CB 3.27Å; I776-I780 VanDerWaalsContact O-CG1 3.22Å; I776-I780 WeakPolarHBondContact O-CG1 3.3Å; I776-I780 PolarHBondContact O-N 3.35Å; I776-I804 HydrophobicContact CG2-CD1 3.95Å
777L84.2Confident77Confident0 Ų010.4 Ų10.40%06%0.056CC..Hα-helixtrans-66-39.5-177.1-70.7-178.8000112.9V773 W774 W781 M797 V800 I804 I837 F840V773-L777 HydrophobicContact CG1-CD1 3.91Å; V773-L777 HydrophobicContact CG1-CG 4.47Å; V773-L777 WeakPolarHBondContact O-CB 3.12Å; V773-L777 WeakPolarHBondContact O-CG 3.47Å; V773-L777 PolarHBondContact O-N 3.42Å; W774-L777 PolarHBondContact O-N 2.92Å; L777-W781 WeakPolarHBondContact O-CB 3.28Å; L777-W781 PolarHBondContact O-N 3.45Å; L777-M797 HydrophobicContact CB-CE 3.92Å; L777-M797 HydrophobicContact CD2-CE 4.07Å; L777-M797 HydrophobicContact CD2-SD 4.48Å; L777-M797 HydrophobicContact CG-CE 4.46Å; L777-V800 HydrophobicContact CD2-CG1 3.8Å; L777-I804 HydrophobicContact CD2-CD1 4.15Å; L777-I837 HydrophobicContact CD1-CG2 3.59Å; L777-F840 HydrophobicContact CB-CE1 4.02Å
778S78.2Confident77.3Confident2 Ų28.8 Ų8.81%0.0145%0.045CC..Hα-helixtrans-64.3-42.6176.1-169.90000112Q751 W774 I776 W781 S782Q751-S778 PolarHBondContact OE1-OG 3.45Å; Q751-S778 VanDerWaalsContact OE1-OG 3.14Å; W774-S778 VanDerWaalsContact O-CB 3.3Å; W774-S778 WeakPolarHBondContact O-CB 3.31Å; W774-S778 PolarHBondContact O-N 3.31Å; I776-S778 PolarHBondContact O-N 3.36Å; S778-W781 PolarHBondContact O-N 3.11Å; S778-S782 WeakPolarHBondContact O-CB 3.44Å; S778-S782 PolarHBondContact O-N 3.32Å; S778-S782 PolarHBondContact O-OG 3.3Å
779N78.8Confident77.5Confident3 Ų35.8 Ų5.82%0.0163%0.032CC..Hα-helixtrans-70.4-42180-65.6-19000111.8L646 L750 C775 I776 W781 S782 I783L646-N779 HydrophobicContact CD1-CB 4.3Å; L646-N779 HydrophobicContact CD2-CB 3.92Å; L750-N779 HydrophobicContact CD2-CB 3.97Å; L750-N779 WeakPolarHBondContact CD2-OD1 3.41Å; C775-N779 VanDerWaalsContact O-CB 3.27Å; C775-N779 WeakPolarHBondContact O-CB 3.31Å; C775-N779 PolarHBondContact O-N 3.04Å; C775-N779 PolarHBondContact O-ND2 3.33Å; C775-N779 PolarHBondContact SG-ND2 3.14Å; I776-N779 PolarHBondContact O-N 3.17Å; N779-W781 PolarHBondContact O-N 2.98Å; N779-S782 WeakPolarHBondContact O-CB 3.48Å; N779-S782 PolarHBondContact O-N 2.91Å; N779-I783 WeakPolarHBondContact O-CG1 3.44Å; N779-I783 PolarHBondContact O-N 3.39Å
780I84.8Confident77.7Confident0 Ų04.5 Ų4.50%03%0.025CC..Hα-helixtrans-59.5-47.9175-71.7171.8000110.2L646 I649 S718 I776 S782 I783 L784 V800L646-I780 HydrophobicContact CD2-CG1 4.49Å; I649-I780 HydrophobicContact CD1-CD1 4.18Å; I649-I780 HydrophobicContact CD1-CG1 4.19Å; I649-I780 HydrophobicContact CG2-CG1 4.45Å; S718-I780 VanDerWaalsContact OG-CD1 3.26Å; S718-I780 WeakPolarHBondContact OG-CD1 3.41Å; I776-I780 HydrophobicContact CG2-CD1 3.56Å; I776-I780 HydrophobicContact CG2-CG1 4.36Å; I776-I780 WeakPolarHBondContact O-CB 3.27Å; I776-I780 VanDerWaalsContact O-CG1 3.22Å; I776-I780 WeakPolarHBondContact O-CG1 3.3Å; I776-I780 PolarHBondContact O-N 3.35Å; I780-S782 VanDerWaalsContact C-N 3.28Å; I780-S782 PolarHBondContact O-N 3.48Å; I780-I783 PolarHBondContact O-N 3.02Å; I780-L784 HydrophobicContact CG2-CD1 3.6Å; I780-L784 HydrophobicContact CG2-CG 4.1Å; I780-L784 VanDerWaalsContact O-CG 3.29Å; I780-L784 WeakPolarHBondContact O-CG 3.44Å; I780-L784 PolarHBondContact O-N 2.98Å; I780-V800 HydrophobicContact CD1-CG1 3.84Å
781W84.8Confident77.7Confident4 Ų44.5 Ų4.52%0.0153%0.025CC..Hα-helixtrans-57.7-43.4177.1-174.6-113.9000111.9L777 S778 N779 I783 L784 I785 R794 M797 F840 R844 V948L777-W781 WeakPolarHBondContact O-CB 3.28Å; L777-W781 PolarHBondContact O-N 3.45Å; S778-W781 PolarHBondContact O-N 3.11Å; N779-W781 PolarHBondContact O-N 2.98Å; W781-I783 VanDerWaalsContact C-N 3.31Å; W781-I783 PolarHBondContact O-N 2.63Å; W781-L784 PolarHBondContact O-N 3.34Å; W781-I785 HydrophobicContact CD2-CD1 4.07Å; W781-I785 HydrophobicContact CD2-CG1 4.13Å; W781-I785 VanDerWaalsContact CE2-CD1 3.49Å; W781-I785 HydrophobicContact CG-CD1 4.02Å; W781-I785 HydrophobicContact CG-CG1 4.47Å; W781-I785 HydrophobicContact CZ2-CD1 4.05Å; W781-I785 HydrophobicContact CZ2-CG1 3.92Å; W781-I785 VanDerWaalsContact O-CG1 3.29Å; W781-I785 WeakPolarHBondContact O-CG1 3.47Å; W781-I785 PolarHBondContact O-N 2.92Å; W781-R794 HydrophobicContact CH2-CG 4.34Å; W781-M797 HydrophobicContact CB-CE 4.33Å; W781-M797 HydrophobicContact CB-SD 4.33Å; W781-M797 HydrophobicContact CE3-CB 3.98Å; W781-M797 HydrophobicContact CE3-CG 3.83Å; W781-M797 HydrophobicContact CE3-SD 4.12Å; W781-M797 HydrophobicContact CZ3-CB 4.01Å; W781-M797 HydrophobicContact CZ3-CG 4.2Å; W781-F840 HydrophobicContact CB-CZ 4.48Å; W781-R844 HydrophobicContact CD2-CB 4.1Å; W781-R844 HydrophobicContact CD2-CG 3.89Å; W781-R844 HydrophobicContact CE3-CB 4.03Å; W781-R844 HydrophobicContact CE3-CG 4.34Å; W781-R844 HydrophobicContact CG-CG 4.33Å; W781-R844 HydrophobicContact CH2-CB 4.13Å; W781-R844 HydrophobicContact CH2-CG 4.4Å; W781-R844 HydrophobicContact CZ2-CB 4.18Å; W781-R844 HydrophobicContact CZ2-CG 3.95Å; W781-R844 HydrophobicContact CZ3-CB 4.04Å; W781-R844 WeakPolarHBondContact CZ3-O 3.29Å; W781-V948 WeakPolarHBondContact CZ2-O 3.33Å; W781-V948 PolarHBondContact NE1-O 2.89Å
782S78.3Confident78.1Confident11 Ų113.8 Ų3.88%0.0772%0.022CC..Hα-helixtrans-60.9-38.1178.3-58.80000113.1S778 N779 I780 N1407S778-S782 WeakPolarHBondContact O-CB 3.44Å; S778-S782 PolarHBondContact O-N 3.32Å; S778-S782 PolarHBondContact O-OG 3.3Å; N779-S782 WeakPolarHBondContact O-CB 3.48Å; N779-S782 PolarHBondContact O-N 2.91Å; I780-S782 VanDerWaalsContact C-N 3.28Å; I780-S782 PolarHBondContact O-N 3.48Å; S782-N1407 PolarHBondContact OG-ND2 3.3Å
783I81.1Confident78.6Confident1 Ų13.5 Ų3.51%0.0052%0.02CC..Hα-helixtrans-69.1-51.3175.3-67.1165.3000109.7I649 E650 A653 L741 N779 I780 W781 I785 Q786 T787I649-I783 HydrophobicContact CG2-CD1 4.31Å; E650-I783 HydrophobicContact CB-CD1 4.2Å; A653-I783 HydrophobicContact CB-CG2 3.47Å; A653-I783 VanDerWaalsContact CB-CG2 3.47Å; L741-I783 HydrophobicContact CD2-CD1 4.08Å; L741-I783 HydrophobicContact CD2-CG1 4.16Å; N779-I783 WeakPolarHBondContact O-CG1 3.44Å; N779-I783 PolarHBondContact O-N 3.39Å; I780-I783 PolarHBondContact O-N 3.02Å; W781-I783 VanDerWaalsContact C-N 3.31Å; W781-I783 PolarHBondContact O-N 2.63Å; I783-I785 PolarHBondContact O-N 3.35Å; I783-Q786 PolarHBondContact O-N 3.43Å; I783-Q786 VanDerWaalsContact O-N 3.1Å; I783-T787 PolarHBondContact O-N 3.29Å; I783-T787 PolarHBondContact O-OG1 2.96Å
784L83.3Confident78.9Confident0 Ų04.5 Ų4.50%02%0.024CC..Hα-helixtrans-61.4-38.7-173.6-69.8174.8000113.2I780 W781 Q786 T787 C788 S793 I796I780-L784 HydrophobicContact CG2-CD1 3.6Å; I780-L784 HydrophobicContact CG2-CG 4.1Å; I780-L784 VanDerWaalsContact O-CG 3.29Å; I780-L784 WeakPolarHBondContact O-CG 3.44Å; I780-L784 PolarHBondContact O-N 2.98Å; W781-L784 PolarHBondContact O-N 3.34Å; L784-Q786 PolarHBondContact O-N 2.72Å; L784-Q786 VanDerWaalsContact O-N 3.08Å; L784-T787 PolarHBondContact O-N 2.71Å; L784-C788 HydrophobicContact CD2-CB 4.49Å; L784-C788 WeakPolarHBondContact O-CB 3.11Å; L784-C788 PolarHBondContact O-N 3.35Å; L784-S793 PolarHBondContact O-OG 2.93Å; L784-I796 HydrophobicContact CD1-CB 3.93Å; L784-I796 HydrophobicContact CD1-CG2 3.71Å; L784-I796 HydrophobicContact CD2-CB 4.41Å; L784-I796 HydrophobicContact CD2-CD1 3.84Å; L784-I796 HydrophobicContact CD2-CG2 4.14Å
785I78.4Confident79.4Confident5 Ų57.7 Ų7.73%0.0264%0.039CC..Hα-helixtrans-58.1-25.9178.9-66.9161.9000112.5P509 W781 I783 P1406P509-I785 WeakPolarHBondContact CB-O 3.36Å; W781-I785 HydrophobicContact CD2-CD1 4.07Å; W781-I785 HydrophobicContact CD2-CG1 4.13Å; W781-I785 VanDerWaalsContact CE2-CD1 3.49Å; W781-I785 HydrophobicContact CG-CD1 4.02Å; W781-I785 HydrophobicContact CG-CG1 4.47Å; W781-I785 HydrophobicContact CZ2-CD1 4.05Å; W781-I785 HydrophobicContact CZ2-CG1 3.92Å; W781-I785 VanDerWaalsContact O-CG1 3.29Å; W781-I785 WeakPolarHBondContact O-CG1 3.47Å; W781-I785 PolarHBondContact O-N 2.92Å; I783-I785 PolarHBondContact O-N 3.35Å; I785-P1406 HydrophobicContact CD1-CB 4.43Å
786Q74.8Confident80.1Confident12 Ų127.7 Ų7.76%0.0564%0.039CC..Hα-helixtrans-99-17-173.7-58.7-17518.500113.8Y514 I783 L784Y514-Q786 HydrophobicContact CD2-CB 3.94Å; Y514-Q786 HydrophobicContact CE2-CB 4.19Å; Y514-Q786 PolarHBondContact N-O 3.34Å; I783-Q786 PolarHBondContact O-N 3.43Å; I783-Q786 VanDerWaalsContact O-N 3.1Å; L784-Q786 PolarHBondContact O-N 2.72Å; L784-Q786 VanDerWaalsContact O-N 3.08Å
787T76.6Confident80.6Confident1 Ų17.5 Ų7.51%0.0064%0.038CC..Hα-helixtrans-116-25.9-173.6600000112.9A653 L654 S657 I783 L784A653-T787 HydrophobicContact CB-CG2 4.05Å; A653-T787 WeakPolarHBondContact CB-OG1 3.39Å; A653-T787 WeakPolarHBondContact O-CB 3.24Å; L654-T787 HydrophobicContact CD2-CG2 3.98Å; L654-T787 HydrophobicContact CG-CG2 4.39Å; S657-T787 WeakPolarHBondContact CB-O 3.49Å; I783-T787 PolarHBondContact O-N 3.29Å; I783-T787 PolarHBondContact O-OG1 2.96Å; L784-T787 PolarHBondContact O-N 2.71Å
788C76.7Confident80.9Confident0 Ų07.8 Ų7.80%04%0.04CC..SBendtrans-121.9144.5-170.8-63.50000110.7L784 L792 S793 H951L784-C788 HydrophobicContact CD2-CB 4.49Å; L784-C788 WeakPolarHBondContact O-CB 3.11Å; L784-C788 PolarHBondContact O-N 3.35Å; C788-L792 HydrophobicContact CB-CB 4.48Å; C788-L792 HydrophobicContact CB-CD2 4.29Å; C788-L792 HydrophobicContact CB-CG 4.47Å; C788-S793 VanDerWaalsContact CB-OG 3.26Å; C788-S793 WeakPolarHBondContact CB-OG 3.37Å; C788-S793 PolarHBondContact O-OG 3.4Å; C788-S793 VanDerWaalsContact O-OG 3.1Å; C788-H951 PolarHBondContact O-NE2 3.42Å
789P73Confident81.5Confident6 Ų610.8 Ų10.84%0.0395%0.054CC..  trans-62.7158.1170.627.5-34000110L660 G791 L792 S793L660-P789 VanDerWaalsContact CD1-CD 3.43Å; L660-P789 HydrophobicContact CD1-CG 4.26Å; P789-G791 VanDerWaalsContact C-N 3.3Å; P789-G791 PolarHBondContact O-N 3.38Å; P789-L792 HydrophobicContact CG-CB 3.94Å; P789-L792 PolarHBondContact O-N 2.85Å; P789-S793 WeakPolarHBondContact O-CB 3.24Å; P789-S793 PolarHBondContact O-N 3.46Å; P789-S793 PolarHBondContact O-OG 2.7Å
790G74.6Confident82.1Confident1 Ų110.7 Ų10.71%0.015%0.053CC..Hα-helixtrans-57.3-41.5-173.200000113.4G507 L792 S793 R794 H951G507-G790 PolarHBondContact O-N 3.15Å; G790-L792 PolarHBondContact O-N 2.8Å; G790-S793 PolarHBondContact O-N 3.26Å; G790-R794 VanDerWaalsContact O-CG 3.28Å; G790-R794 WeakPolarHBondContact O-CG 3.13Å; G790-R794 PolarHBondContact O-N 3.24Å; G790-H951 PolarHBondContact N-CD2 2.77Å
791G74.3Confident82.4Confident4 Ų410.7 Ų10.74%0.0415%0.053CC..Hα-helixtrans-56.6-51.3176.500000113.4P789 R794 Q795P789-G791 VanDerWaalsContact C-N 3.3Å; P789-G791 PolarHBondContact O-N 3.38Å; G791-R794 PolarHBondContact O-N 3.41Å; G791-Q795 WeakPolarHBondContact O-CG 3.25Å; G791-Q795 PolarHBondContact O-N 3.05Å
792L79Confident82.8Confident5 Ų510.7 Ų10.73%0.0265%0.054CC..Hα-helixtrans-68-39.8179.9-176.862.3000111.7I656 I707 C788 P789 G790 R794 Q795 I796I656-L792 HydrophobicContact CG2-CD2 3.61Å; I707-L792 HydrophobicContact CG2-CD1 4.37Å; I707-L792 HydrophobicContact CG2-CD2 3.7Å; C788-L792 HydrophobicContact CB-CB 4.48Å; C788-L792 HydrophobicContact CB-CD2 4.29Å; C788-L792 HydrophobicContact CB-CG 4.47Å; P789-L792 HydrophobicContact CG-CB 3.94Å; P789-L792 PolarHBondContact O-N 2.85Å; G790-L792 PolarHBondContact O-N 2.8Å; L792-R794 VanDerWaalsContact C-N 3.34Å; L792-R794 PolarHBondContact O-N 3.31Å; L792-Q795 PolarHBondContact O-N 2.97Å; L792-I796 HydrophobicContact CD1-CD1 4.12Å; L792-I796 HydrophobicContact CD1-CG1 4.29Å; L792-I796 HydrophobicContact CD2-CD1 4.48Å; L792-I796 HydrophobicContact CG-CD1 3.87Å; L792-I796 HydrophobicContact CG-CG1 4.43Å; L792-I796 WeakPolarHBondContact O-CG1 2.92Å; L792-I796 PolarHBondContact O-N 2.94Å
793S84Confident83.4Confident0 Ų014.3 Ų14.30%07%0.068CC..Hα-helixtrans-58.4-46.3177.8-55.40000111.3L784 C788 P789 G790 Q795 M797 H951L784-S793 PolarHBondContact O-OG 2.93Å; C788-S793 VanDerWaalsContact CB-OG 3.26Å; C788-S793 WeakPolarHBondContact CB-OG 3.37Å; C788-S793 PolarHBondContact O-OG 3.4Å; C788-S793 VanDerWaalsContact O-OG 3.1Å; P789-S793 WeakPolarHBondContact O-CB 3.24Å; P789-S793 PolarHBondContact O-N 3.46Å; P789-S793 PolarHBondContact O-OG 2.7Å; G790-S793 PolarHBondContact O-N 3.26Å; S793-Q795 PolarHBondContact O-N 3.05Å; S793-M797 WeakPolarHBondContact O-CB 3.35Å; S793-M797 PolarHBondContact O-N 2.84Å; S793-H951 PolarHBondContact OG-CE1 2.92Å; S793-H951 PolarHBondContact OG-NE2 3.13Å
794R84.9Confident83.8Confident21 Ų2114.3 Ų14.38%0.0797%0.068CC..Hα-helixtrans-64.2-39177.7-68.5-176.5-62.6-161.84.3112.4G505 A506 W781 G790 G791 L792 M797 A798 R844 E847G505-R794 PolarHBondContact O-NH1 3.08Å; G505-R794 PolarHBondContact O-NH2 3.22Å; A506-R794 VanDerWaalsContact CB-CZ 3.41Å; W781-R794 HydrophobicContact CH2-CG 4.34Å; G790-R794 VanDerWaalsContact O-CG 3.28Å; G790-R794 WeakPolarHBondContact O-CG 3.13Å; G790-R794 PolarHBondContact O-N 3.24Å; G791-R794 PolarHBondContact O-N 3.41Å; L792-R794 VanDerWaalsContact C-N 3.34Å; L792-R794 PolarHBondContact O-N 3.31Å; R794-M797 PolarHBondContact O-N 2.71Å; R794-A798 VanDerWaalsContact O-CB 3.3Å; R794-A798 WeakPolarHBondContact O-CB 3.43Å; R794-A798 PolarHBondContact O-N 3.31Å; R794-R844 VanDerWaalsContact CG-O 3.3Å; R794-R844 WeakPolarHBondContact CG-O 3.48Å; R794-E847 IonicContact CZ-OE2 3.25Å; R794-E847 VanDerWaalsContact NH1-CA 3.3Å; R794-E847 VanDerWaalsContact NH1-CB 3.3Å; R794-E847 VanDerWaalsContact NH1-CG 3.3Å; R794-E847 IonicContact NH1-OE2 2.85Å; R794-E847 IonicContact NH2-OE1 3.36Å; R794-E847 IonicContact NH2-OE2 3.92Å; R794-E847 PolarHBondContact NH2-OE2 2.78Å
795Q85.1Confident84.1Confident77 Ų7714.3 Ų14.336%0.367%0.068SC..Hα-helixtrans-66.1-47.6177.8-75.7179.6-9.400112.5A501 G791 L792 S793 M797 A798 H799A501-Q795 VanDerWaalsContact O-CD 3.27Å; A501-Q795 PolarHBondContact O-NE2 3.34Å; A501-Q795 PolarHBondContact O-OE1 2.95Å; G791-Q795 WeakPolarHBondContact O-CG 3.25Å; G791-Q795 PolarHBondContact O-N 3.05Å; L792-Q795 PolarHBondContact O-N 2.97Å; S793-Q795 PolarHBondContact O-N 3.05Å; Q795-M797 VanDerWaalsContact C-N 3.26Å; Q795-M797 PolarHBondContact O-N 3Å; Q795-A798 PolarHBondContact O-N 2.89Å; Q795-H799 WeakPolarHBondContact O-CB 3.28Å; Q795-H799 PolarHBondContact O-N 2.91Å
796I86.9Confident84.7Confident5 Ų517.4 Ų17.43%0.0268%0.083CC..Hα-helixtrans-60.1-44.5175.1-63.7170.2000109I656 I714 L784 L792 A798 H799 V800I656-I796 HydrophobicContact CD1-CD1 4.24Å; I714-I796 HydrophobicContact CG2-CG2 3.94Å; L784-I796 HydrophobicContact CD1-CB 3.93Å; L784-I796 HydrophobicContact CD1-CG2 3.71Å; L784-I796 HydrophobicContact CD2-CB 4.41Å; L784-I796 HydrophobicContact CD2-CD1 3.84Å; L784-I796 HydrophobicContact CD2-CG2 4.14Å; L792-I796 HydrophobicContact CD1-CD1 4.12Å; L792-I796 HydrophobicContact CD1-CG1 4.29Å; L792-I796 HydrophobicContact CD2-CD1 4.48Å; L792-I796 HydrophobicContact CG-CD1 3.87Å; L792-I796 HydrophobicContact CG-CG1 4.43Å; L792-I796 WeakPolarHBondContact O-CG1 2.92Å; L792-I796 PolarHBondContact O-N 2.94Å; I796-A798 PolarHBondContact O-N 3.45Å; I796-H799 PolarHBondContact O-N 3.49Å; I796-V800 HydrophobicContact CG2-CG2 4.16Å; I796-V800 WeakPolarHBondContact O-CB 3.4Å; I796-V800 VanDerWaalsContact O-CG2 3.28Å; I796-V800 WeakPolarHBondContact O-CG2 3Å; I796-V800 PolarHBondContact O-N 2.9Å
797M90.3Very high85.2Confident0 Ų017.2 Ų17.20%08%0.083CC..Hα-helixtrans-61.7-43.6178.3-168.362.1-178.600112.6L777 W781 S793 R794 Q795 H799 S801 F840 R844L777-M797 HydrophobicContact CB-CE 3.92Å; L777-M797 HydrophobicContact CD2-CE 4.07Å; L777-M797 HydrophobicContact CD2-SD 4.48Å; L777-M797 HydrophobicContact CG-CE 4.46Å; W781-M797 HydrophobicContact CB-CE 4.33Å; W781-M797 HydrophobicContact CB-SD 4.33Å; W781-M797 HydrophobicContact CE3-CB 3.98Å; W781-M797 HydrophobicContact CE3-CG 3.83Å; W781-M797 HydrophobicContact CE3-SD 4.12Å; W781-M797 HydrophobicContact CZ3-CB 4.01Å; W781-M797 HydrophobicContact CZ3-CG 4.2Å; S793-M797 WeakPolarHBondContact O-CB 3.35Å; S793-M797 PolarHBondContact O-N 2.84Å; R794-M797 PolarHBondContact O-N 2.71Å; Q795-M797 VanDerWaalsContact C-N 3.26Å; Q795-M797 PolarHBondContact O-N 3Å; M797-H799 VanDerWaalsContact C-N 3.35Å; M797-H799 PolarHBondContact O-N 3.16Å; M797-S801 WeakPolarHBondContact CE-OG 3.31Å; M797-S801 WeakPolarHBondContact O-CB 3.46Å; M797-S801 PolarHBondContact O-N 3.15Å; M797-S801 PolarHBondContact O-OG 2.79Å; M797-F840 HydrophobicContact CE-CD1 4.17Å; M797-F840 HydrophobicContact CE-CE1 3.48Å; M797-F840 VanDerWaalsContact CE-CE1 3.48Å; M797-F840 HydrophobicContact CE-CZ 4.37Å; M797-R844 HydrophobicContact CG-CB 3.93Å
798A90.4Very high85.6Confident6 Ų617.2 Ų17.25%0.058%0.082CC..Hα-helixtrans-61.4-45.6177.300000111R794 Q795 I796 S802 S845 E861R794-A798 VanDerWaalsContact O-CB 3.3Å; R794-A798 WeakPolarHBondContact O-CB 3.43Å; R794-A798 PolarHBondContact O-N 3.31Å; Q795-A798 PolarHBondContact O-N 2.89Å; I796-A798 PolarHBondContact O-N 3.45Å; A798-S802 VanDerWaalsContact O-CB 3.23Å; A798-S802 WeakPolarHBondContact O-CB 2.86Å; A798-S802 PolarHBondContact O-N 3.46Å; A798-S802 PolarHBondContact O-OG 2.76Å; A798-S845 VanDerWaalsContact CA-OG 3.31Å; A798-S845 WeakPolarHBondContact CA-OG 3.45Å; A798-S845 PolarHBondContact N-OG 3.14Å; A798-E861 HydrophobicContact CB-CB 3.88Å; A798-E861 HydrophobicContact CB-CG 4.48Å
799H90.8Very high86Confident64 Ų6417.7 Ų17.730%0.2969%0.085SC..Hα-helixtrans-67.9-47.6-177.6-16262.2000111.7T715 Q795 I796 M797 S802 K803 E861T715-H799 WeakPolarHBondContact CG2-CD2 3.48Å; T715-H799 PolarHBondContact OG1-CD2 3.19Å; Q795-H799 WeakPolarHBondContact O-CB 3.28Å; Q795-H799 PolarHBondContact O-N 2.91Å; I796-H799 PolarHBondContact O-N 3.49Å; M797-H799 VanDerWaalsContact C-N 3.35Å; M797-H799 PolarHBondContact O-N 3.16Å; H799-S802 PolarHBondContact O-OG 3.07Å; H799-K803 WeakPolarHBondContact O-CG 3.21Å; H799-K803 PolarHBondContact O-N 2.89Å; H799-E861 HydrophobicContact CB-CG 4.19Å; H799-E861 IonicContact ND1-OE1 3.59Å; H799-E861 PolarHBondContact ND1-OE1 2.82Å
800V91.4Very high86.4Confident1 Ų122.5 Ų22.51%0.00611%0.108CC..Hα-helixtrans-63.2-48.3176174.90000111.3T715 L777 I780 I796 S802 K803 I804T715-V800 HydrophobicContact CG2-CG2 3.98Å; L777-V800 HydrophobicContact CD2-CG1 3.8Å; I780-V800 HydrophobicContact CD1-CG1 3.84Å; I796-V800 HydrophobicContact CG2-CG2 4.16Å; I796-V800 WeakPolarHBondContact O-CB 3.4Å; I796-V800 VanDerWaalsContact O-CG2 3.28Å; I796-V800 WeakPolarHBondContact O-CG2 3Å; I796-V800 PolarHBondContact O-N 2.9Å; V800-S802 PolarHBondContact O-N 3.06Å; V800-K803 PolarHBondContact O-N 3.16Å; V800-I804 HydrophobicContact CG1-CD1 3.58Å; V800-I804 HydrophobicContact CG1-CG1 4.3Å; V800-I804 WeakPolarHBondContact O-CG1 3.08Å; V800-I804 PolarHBondContact O-N 3.42Å
801S91.9Very high86.6Confident0 Ų024.8 Ų24.80%012%0.118CC..Hα-helixtrans-65.1-42.7-176.1-56.60000111.9M797 K803 I804 L805M797-S801 WeakPolarHBondContact CE-OG 3.31Å; M797-S801 WeakPolarHBondContact O-CB 3.46Å; M797-S801 PolarHBondContact O-N 3.15Å; M797-S801 PolarHBondContact O-OG 2.79Å; S801-K803 VanDerWaalsContact C-N 3.34Å; S801-K803 PolarHBondContact O-N 3.33Å; S801-I804 PolarHBondContact O-N 3.39Å; S801-L805 WeakPolarHBondContact O-CB 3.46Å; S801-L805 WeakPolarHBondContact O-CD1 3.3Å; S801-L805 WeakPolarHBondContact O-CG 3.4Å; S801-L805 PolarHBondContact O-N 2.94Å
802S92.6Very high86.7Confident4 Ų424.8 Ų24.83%0.02812%0.117CC..Hα-helixtrans-58.7-45.8178.461.60000111.7A798 H799 V800 E806A798-S802 VanDerWaalsContact O-CB 3.23Å; A798-S802 WeakPolarHBondContact O-CB 2.86Å; A798-S802 PolarHBondContact O-N 3.46Å; A798-S802 PolarHBondContact O-OG 2.76Å; H799-S802 PolarHBondContact O-OG 3.07Å; V800-S802 PolarHBondContact O-N 3.06Å; S802-E806 VanDerWaalsContact O-CB 3.23Å; S802-E806 WeakPolarHBondContact O-CB 3.39Å; S802-E806 PolarHBondContact O-N 3.08Å
803K90.9Very high86.5Confident88 Ų8828 Ų2838%0.38313%0.134SC..Hα-helixtrans-69-42.6-179.8-68.2-67.2175.1-165.40113.6L719 H799 V800 S801 E806 S807L719-K803 HydrophobicContact CD1-CB 3.85Å; H799-K803 WeakPolarHBondContact O-CG 3.21Å; H799-K803 PolarHBondContact O-N 2.89Å; V800-K803 PolarHBondContact O-N 3.16Å; S801-K803 VanDerWaalsContact C-N 3.34Å; S801-K803 PolarHBondContact O-N 3.33Å; K803-E806 IonicContact NZ-OE2 3.65Å; K803-S807 WeakPolarHBondContact O-CB 3.22Å; K803-S807 PolarHBondContact O-N 3.25Å; K803-S807 VanDerWaalsContact O-N 3.08Å; K803-S807 PolarHBondContact O-OG 2.84Å
804I90.5Very high86Confident1 Ų131.8 Ų31.81%0.00516%0.157CC..Hα-helixtrans-69.8-42.7179.4-64.7178.4000110.4Y722 V773 I776 L777 V800 S801 S807 A808Y722-I804 HydrophobicContact CD1-CG2 4.49Å; Y722-I804 HydrophobicContact CD2-CG2 4.04Å; Y722-I804 HydrophobicContact CE2-CG2 4.24Å; Y722-I804 HydrophobicContact CG-CG2 4.17Å; V773-I804 HydrophobicContact CB-CG2 4.26Å; V773-I804 HydrophobicContact CG1-CG2 3.69Å; V773-I804 HydrophobicContact CG2-CG2 3.9Å; I776-I804 HydrophobicContact CG2-CD1 3.95Å; L777-I804 HydrophobicContact CD2-CD1 4.15Å; V800-I804 HydrophobicContact CG1-CD1 3.58Å; V800-I804 HydrophobicContact CG1-CG1 4.3Å; V800-I804 WeakPolarHBondContact O-CG1 3.08Å; V800-I804 PolarHBondContact O-N 3.42Å; S801-I804 PolarHBondContact O-N 3.39Å; I804-S807 PolarHBondContact O-N 2.9Å; I804-A808 WeakPolarHBondContact O-CB 3.3Å; I804-A808 PolarHBondContact O-N 3.46Å
805L90.2Very high85.2Confident0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-63.8-44.4177.4-75.2170.1000112S801 S807 A808 V809 I834 I837 A838 A841 I865 T868S801-L805 WeakPolarHBondContact O-CB 3.46Å; S801-L805 WeakPolarHBondContact O-CD1 3.3Å; S801-L805 WeakPolarHBondContact O-CG 3.4Å; S801-L805 PolarHBondContact O-N 2.94Å; L805-S807 VanDerWaalsContact C-N 3.3Å; L805-S807 PolarHBondContact O-N 3.11Å; L805-A808 PolarHBondContact O-N 2.74Å; L805-V809 VanDerWaalsContact O-CG2 3.31Å; L805-V809 WeakPolarHBondContact O-CG2 3.3Å; L805-V809 PolarHBondContact O-N 2.65Å; L805-I834 HydrophobicContact CD2-CG2 4.36Å; L805-I837 HydrophobicContact CD2-CB 4.3Å; L805-I837 HydrophobicContact CD2-CG2 3.76Å; L805-A838 HydrophobicContact CD1-CB 4.3Å; L805-A841 HydrophobicContact CD1-CB 4.11Å; L805-I865 HydrophobicContact CD1-CG1 4.3Å; L805-I865 HydrophobicContact CD1-CG2 4.42Å; L805-T868 HydrophobicContact CB-CG2 4.29Å
806E89.2Confident84.2Confident70 Ų7033.4 Ų33.433%0.32717%0.17SC..Hα-helixtrans-55.9-47.5174.3-175.9-177.6-177.400110.8S802 K803 V809 Q810 T864S802-E806 VanDerWaalsContact O-CB 3.23Å; S802-E806 WeakPolarHBondContact O-CB 3.39Å; S802-E806 PolarHBondContact O-N 3.08Å; K803-E806 IonicContact NZ-OE2 3.65Å; E806-V809 PolarHBondContact O-N 2.97Å; E806-Q810 VanDerWaalsContact O-CG 3.28Å; E806-Q810 WeakPolarHBondContact O-CG 3.49Å; E806-Q810 PolarHBondContact O-N 3.22Å; E806-Q810 VanDerWaalsContact O-N 3.07Å; E806-T864 HydrophobicContact CB-CG2 4.4Å
807S85.4Confident82.8Confident8 Ų839 Ų396%0.05620%0.198CC..Hα-helixtrans-65.5-39.8179.4-55.90000112.5Y723 K803 I804 L805 Q810 Q811Y723-S807 PolarHBondContact OH-OG 3Å; Y723-S807 VanDerWaalsContact OH-OG 3.11Å; K803-S807 WeakPolarHBondContact O-CB 3.22Å; K803-S807 PolarHBondContact O-N 3.25Å; K803-S807 VanDerWaalsContact O-N 3.08Å; K803-S807 PolarHBondContact O-OG 2.84Å; I804-S807 PolarHBondContact O-N 2.9Å; L805-S807 VanDerWaalsContact C-N 3.3Å; L805-S807 PolarHBondContact O-N 3.11Å; S807-Q810 PolarHBondContact O-N 3.44Å; S807-Q811 WeakPolarHBondContact O-CG 3.26Å; S807-Q811 PolarHBondContact O-N 2.98Å
808A85.2Confident81.2Confident0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-67-42.3179.400000112.1V773 I804 L805 Q811 L812 I834V773-A808 HydrophobicContact CG2-CB 3.98Å; I804-A808 WeakPolarHBondContact O-CB 3.3Å; I804-A808 PolarHBondContact O-N 3.46Å; L805-A808 PolarHBondContact O-N 2.74Å; A808-Q811 PolarHBondContact O-N 3.02Å; A808-L812 PolarHBondContact O-N 3.14Å; A808-I834 HydrophobicContact CB-CD1 3.88Å
809V84.8Confident79.5Confident10 Ų1048.1 Ų48.16%0.06125%0.252CS..Hα-helixtrans-66.5-40.5177.2173.50000111.1L805 E806 Q811 L812 D813 I834 T868 L871 M875L805-V809 VanDerWaalsContact O-CG2 3.31Å; L805-V809 WeakPolarHBondContact O-CG2 3.3Å; L805-V809 PolarHBondContact O-N 2.65Å; E806-V809 PolarHBondContact O-N 2.97Å; V809-Q811 VanDerWaalsContact C-N 3.35Å; V809-Q811 PolarHBondContact O-N 2.95Å; V809-L812 WeakPolarHBondContact O-CB 3.43Å; V809-L812 PolarHBondContact O-N 3.2Å; V809-D813 PolarHBondContact O-N 2.93Å; V809-I834 HydrophobicContact CG2-CG2 3.99Å; V809-T868 HydrophobicContact CG2-CG2 4.5Å; V809-L871 HydrophobicContact CG1-CD2 3.27Å; V809-M875 HydrophobicContact CG1-SD 4.36Å
810Q82.3Confident77.6Confident108 Ų10848.5 Ų48.551%0.50527%0.273SS..Hα-helixtrans-61.3-42173.8-73.61746.100112.1E806 S807 D813 V814E806-Q810 VanDerWaalsContact O-CG 3.28Å; E806-Q810 WeakPolarHBondContact O-CG 3.49Å; E806-Q810 PolarHBondContact O-N 3.22Å; E806-Q810 VanDerWaalsContact O-N 3.07Å; S807-Q810 PolarHBondContact O-N 3.44Å; Q810-D813 PolarHBondContact O-N 3.43Å; Q810-V814 WeakPolarHBondContact O-CG2 3.44Å; Q810-V814 PolarHBondContact O-N 3.38Å
811Q78.1Confident75Confident48 Ų4855.6 Ų55.622%0.22431%0.31CS..Hα-helixtrans-63.7-41.3176.2-75.6177.1-6.200112.2Y722 S807 A808 V809 V814 S815Y722-Q811 PolarHBondContact OH-OE1 3.18Å; S807-Q811 WeakPolarHBondContact O-CG 3.26Å; S807-Q811 PolarHBondContact O-N 2.98Å; A808-Q811 PolarHBondContact O-N 3.02Å; V809-Q811 VanDerWaalsContact C-N 3.35Å; V809-Q811 PolarHBondContact O-N 2.95Å; Q811-V814 PolarHBondContact O-N 3.19Å; Q811-S815 WeakPolarHBondContact O-CB 3.29Å; Q811-S815 PolarHBondContact O-N 3.06Å
812L77.1Confident73.1Confident5 Ų561.8 Ų61.83%0.02634%0.343CS..Hα-helixtrans-61.1-44.7174.8-84172.6000111.9I770 A808 V809 S815 K816 F827 E830 L831 I834I770-L812 HydrophobicContact CD1-CD1 3.95Å; I770-L812 HydrophobicContact CD1-CD2 3.43Å; I770-L812 VanDerWaalsContact CD1-CD2 3.43Å; I770-L812 HydrophobicContact CD1-CG 3.76Å; A808-L812 PolarHBondContact O-N 3.14Å; V809-L812 WeakPolarHBondContact O-CB 3.43Å; V809-L812 PolarHBondContact O-N 3.2Å; L812-S815 PolarHBondContact O-N 3.22Å; L812-S815 PolarHBondContact O-OG 3.22Å; L812-K816 PolarHBondContact O-N 2.88Å; L812-F827 HydrophobicContact CB-CE2 4.37Å; L812-F827 HydrophobicContact CD2-CD2 3.99Å; L812-F827 HydrophobicContact CD2-CE2 3.85Å; L812-E830 HydrophobicContact CD2-CB 4.25Å; L812-E830 VanDerWaalsContact CD2-OE2 3.3Å; L812-E830 WeakPolarHBondContact CD2-OE2 3.47Å; L812-L831 HydrophobicContact CD1-CD2 4.29Å; L812-I834 HydrophobicContact CD1-CG1 3.77Å
813D75.2Confident71.3Confident73 Ų7368.8 Ų68.839%0.3937%0.373SS..Hα-helixtrans-64.8-44.1179.3-166.542.3000112.1V809 Q810 S815 K816 I817 M875V809-D813 PolarHBondContact O-N 2.93Å; Q810-D813 PolarHBondContact O-N 3.43Å; D813-S815 VanDerWaalsContact C-N 3.33Å; D813-S815 PolarHBondContact O-N 3.28Å; D813-K816 WeakPolarHBondContact O-CB 3.38Å; D813-K816 PolarHBondContact O-N 3.03Å; D813-I817 WeakPolarHBondContact O-CG1 3.4Å; D813-I817 PolarHBondContact O-N 3.2Å; D813-I817 VanDerWaalsContact O-N 3.09Å; D813-M875 HydrophobicContact CB-CE 4.25Å
814V73.3Confident70.1Confident79 Ų7966.7 Ų66.748%0.47937%0.37SS..Hα-helixtrans-62.6-39.9174.7173.60000111.6Q810 Q811 K816 I817 N818Q810-V814 WeakPolarHBondContact O-CG2 3.44Å; Q810-V814 PolarHBondContact O-N 3.38Å; Q811-V814 PolarHBondContact O-N 3.19Å; V814-K816 VanDerWaalsContact C-N 3.29Å; V814-K816 PolarHBondContact O-N 2.98Å; V814-I817 PolarHBondContact O-N 3.34Å; V814-N818 PolarHBondContact O-N 3.16Å; V814-N818 VanDerWaalsContact O-N 3.17Å; V814-N818 PolarHBondContact O-ND2 3.23Å
815S67.6Low69Low50 Ų5073.1 Ų73.135%0.3540%0.402SS..Hα-helixtrans-63.2-36177.778.20000112.4Q811 L812 D813 N818 S819Q811-S815 WeakPolarHBondContact O-CB 3.29Å; Q811-S815 PolarHBondContact O-N 3.06Å; L812-S815 PolarHBondContact O-N 3.22Å; L812-S815 PolarHBondContact O-OG 3.22Å; D813-S815 VanDerWaalsContact C-N 3.33Å; D813-S815 PolarHBondContact O-N 3.28Å; S815-N818 PolarHBondContact O-N 2.92Å; S815-S819 PolarHBondContact O-N 3.42Å; S815-S819 VanDerWaalsContact O-N 3.11Å; S815-S819 PolarHBondContact O-OG 3.44Å
816K63.7Low68.2Low81 Ų8176.4 Ų76.435%0.35242%0.417SS..Hα-helixtrans-67.1-41.5175-177.7-176174.3-175.60112L812 D813 V814 N818 F827 C879L812-K816 PolarHBondContact O-N 2.88Å; D813-K816 WeakPolarHBondContact O-CB 3.38Å; D813-K816 PolarHBondContact O-N 3.03Å; V814-K816 VanDerWaalsContact C-N 3.29Å; V814-K816 PolarHBondContact O-N 2.98Å; K816-N818 VanDerWaalsContact C-N 3.28Å; K816-N818 PolarHBondContact O-N 3.06Å; K816-F827 HydrophobicContact CB-CE2 4.4Å; K816-F827 HydrophobicContact CB-CZ 4.36Å; K816-F827 HydrophobicContact CD-CE1 4.36Å; K816-F827 HydrophobicContact CD-CZ 4.03Å; K816-C879 PolarHBondContact NZ-SG 3.17Å
817I57.4Low67.6Low122 Ų12274 Ų7463%0.62641%0.406SS*.Hα-helixtrans-63.7-36.4177.9-66.2166.9000111.2D813 V814D813-I817 WeakPolarHBondContact O-CG1 3.4Å; D813-I817 PolarHBondContact O-N 3.2Å; D813-I817 VanDerWaalsContact O-N 3.09Å; V814-I817 PolarHBondContact O-N 3.34Å
818N57.2Low67.1Low128 Ų12877.3 Ų77.368%0.68442%0.417SS*.Hα-helixtrans-80.4-33.2-176-69.1-28.1000113.7V814 S815 K816 G820V814-N818 PolarHBondContact O-N 3.16Å; V814-N818 VanDerWaalsContact O-N 3.17Å; V814-N818 PolarHBondContact O-ND2 3.23Å; S815-N818 PolarHBondContact O-N 2.92Å; K816-N818 VanDerWaalsContact C-N 3.28Å; K816-N818 PolarHBondContact O-N 3.06Å; N818-G820 PolarHBondContact O-N 3.1Å
819S55Low66.7Low70 Ų7079.3 Ų79.349%0.4943%0.428SS..  trans-91.877.717854.70000109.9S815 L821S815-S819 PolarHBondContact O-N 3.42Å; S815-S819 VanDerWaalsContact O-N 3.11Å; S815-S819 PolarHBondContact O-OG 3.44Å; S819-L821 PolarHBondContact O-N 3Å
820G49.8Very low66.4Low72 Ų7279.2 Ų79.274%0.74243%0.426SS*.  trans-57.4-0.8-175.400000117N818N818-G820 PolarHBondContact O-N 3.1Å
821L38.5Very low66.4Low150 Ų15074 Ų7479%0.78540%0.402SS*.SBendtrans-155.6106.3-178.4-85.7148000108.9S819S819-L821 PolarHBondContact O-N 3Å
822D51Low66.5Low131 Ų13172.8 Ų72.870%0.70140%0.396SS*.  trans153.7116.6132.9-77.7-17.8000109.3S824D822-S824 PolarHBondContact O-N 3.32Å
823F55.4Low66.7Low150 Ų15073.3 Ų73.366%0.65840%0.398SS*.  trans-64.963.8163.8-65.3-82.1000109.1C879 Y880F823-C879 HydrophobicContact CD1-CB 4.01Å; F823-C879 VanDerWaalsContact CD1-O 3.27Å; F823-C879 WeakPolarHBondContact CD1-O 3.32Å; F823-C879 HydrophobicContact CE1-CB 3.89Å; F823-C879 WeakPolarHBondContact CE1-O 3.35Å; F823-Y880 HydrophobicContact CB-CE1 3.97Å; F823-Y880 HydrophobicContact CD1-CE1 4.36Å
824S65.2Low67.2Low45 Ų4569.8 Ų69.832%0.31538%0.38SS..  trans-63.9138-175.769.30000108.5D822 Q826 F827 R828 Y880D822-S824 PolarHBondContact O-N 3.32Å; S824-Q826 PolarHBondContact O-N 2.96Å; S824-F827 PolarHBondContact O-N 3.44Å; S824-F827 PolarHBondContact OG-N 3.31Å; S824-R828 PolarHBondContact O-N 3.45Å; S824-Y880 PolarHBondContact O-OH 2.75Å
825M68Low67.7Low135 Ų13566 Ų6667%0.66536%0.357SS*.Hα-helixtrans-53.2-30173.2-71.7-176.1173.300111.1R828 D829M825-R828 WeakPolarHBondContact O-CB 3.28Å; M825-R828 PolarHBondContact O-N 3.38Å; M825-D829 WeakPolarHBondContact O-CB 3.42Å; M825-D829 PolarHBondContact O-N 3.04Å
826Q72.4Confident68.4Low70 Ų7063.8 Ų63.833%0.32734%0.341SS..Hα-helixtrans-54.9-54.1171.5171.2178.65.200113.5H765 S824 R828 D829 E830H765-Q826 WeakPolarHBondContact O-CG 3.43Å; H765-Q826 PolarHBondContact O-NE2 3.13Å; H765-Q826 PolarHBondContact O-OE1 3.22Å; S824-Q826 PolarHBondContact O-N 2.96Å; Q826-R828 PolarHBondContact O-N 3.29Å; Q826-D829 PolarHBondContact O-N 3.4Å; Q826-D829 VanDerWaalsContact O-N 3.13Å; Q826-E830 HydrophobicContact CG-CG 4.26Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.13Å; Q826-E830 PolarHBondContact NE2-OE1 3.49Å; Q826-E830 WeakPolarHBondContact O-CB 3.41Å; Q826-E830 VanDerWaalsContact O-CG 3.26Å; Q826-E830 WeakPolarHBondContact O-CG 3.4Å; Q826-E830 PolarHBondContact O-N 3.28Å
827F76.5Confident69.4Low20 Ų2059.9 Ų59.99%0.08832%0.324CS..Hα-helixtrans-61.7-35.7-177.8-178.5-107.7000111.6L812 K816 S824 L831 M875 Y880L812-F827 HydrophobicContact CB-CE2 4.37Å; L812-F827 HydrophobicContact CD2-CD2 3.99Å; L812-F827 HydrophobicContact CD2-CE2 3.85Å; K816-F827 HydrophobicContact CB-CE2 4.4Å; K816-F827 HydrophobicContact CB-CZ 4.36Å; K816-F827 HydrophobicContact CD-CE1 4.36Å; K816-F827 HydrophobicContact CD-CZ 4.03Å; S824-F827 PolarHBondContact O-N 3.44Å; S824-F827 PolarHBondContact OG-N 3.31Å; F827-L831 HydrophobicContact CD1-CD1 3.98Å; F827-L831 HydrophobicContact CD1-CG 4.48Å; F827-L831 HydrophobicContact CE1-CD1 3.54Å; F827-L831 HydrophobicContact CE1-CG 4.15Å; F827-L831 HydrophobicContact CZ-CD1 4.01Å; F827-L831 HydrophobicContact CZ-CD2 4.19Å; F827-L831 HydrophobicContact CZ-CG 4.21Å; F827-L831 WeakPolarHBondContact O-CG 3.24Å; F827-L831 PolarHBondContact O-N 2.59Å; F827-L831 VanDerWaalsContact O-N 3.08Å; F827-M875 HydrophobicContact CZ-CE 3.94Å; F827-Y880 AromaticContact CD1-CE2 3.97Å; F827-Y880 HydrophobicContact CD1-CE2 3.97Å; F827-Y880 WeakPolarHBondContact CD1-OH 3.42Å
828R76.4Confident70.9Confident77 Ų7754.1 Ų54.129%0.29130%0.295SS..Hα-helixtrans-61.4-49.5174.3-170.8-167.962.5-162.6-6.6111.2S824 M825 Q826 E830 L831 W832 L876 Y880S824-R828 PolarHBondContact O-N 3.45Å; M825-R828 WeakPolarHBondContact O-CB 3.28Å; M825-R828 PolarHBondContact O-N 3.38Å; Q826-R828 PolarHBondContact O-N 3.29Å; R828-E830 VanDerWaalsContact C-N 3.29Å; R828-E830 PolarHBondContact O-N 2.67Å; R828-L831 PolarHBondContact O-N 2.98Å; R828-W832 VanDerWaalsContact O-CD1 3.28Å; R828-W832 PolarHBondContact O-N 3.47Å; R828-W832 VanDerWaalsContact O-N 3.1Å; R828-L876 HydrophobicContact CG-CD1 4.08Å; R828-Y880 HydrophobicContact CB-CD1 4.38Å; R828-Y880 HydrophobicContact CB-CD2 4.22Å; R828-Y880 HydrophobicContact CB-CE1 3.84Å; R828-Y880 HydrophobicContact CB-CE2 3.64Å; R828-Y880 VanDerWaalsContact CB-CZ 3.44Å; R828-Y880 HydrophobicContact CG-CD1 4.31Å; R828-Y880 HydrophobicContact CG-CD2 4.02Å; R828-Y880 HydrophobicContact CG-CE1 4.26Å; R828-Y880 HydrophobicContact CG-CE2 3.96Å; R828-Y880 HydrophobicContact CG-CG 4.19Å; R828-Y880 PolarHBondContact N-OH 3.46Å
829D75Confident72.3Confident42 Ų4250 Ų5023%0.22527%0.271CS..Hα-helixtrans-71.1-30.4-174.2-62-9.7000110.5H765 L766 M825 Q826 W832 L833H765-D829 IonicContact CE1-OD2 2.96Å; H765-D829 PolarHBondContact CE1-OD2 2.89Å; H765-D829 VanDerWaalsContact CE1-OD2 3.25Å; H765-D829 VanDerWaalsContact NE2-CB 3.31Å; H765-D829 WeakPolarHBondContact NE2-CB 3.47Å; H765-D829 IonicContact NE2-OD2 3.79Å; H765-D829 PolarHBondContact NE2-OD2 3.49Å; H765-D829 VanDerWaalsContact NE2-OD2 3.1Å; L766-D829 HydrophobicContact CD2-CB 3.82Å; M825-D829 WeakPolarHBondContact O-CB 3.42Å; M825-D829 PolarHBondContact O-N 3.04Å; Q826-D829 PolarHBondContact O-N 3.4Å; Q826-D829 VanDerWaalsContact O-N 3.13Å; D829-W832 PolarHBondContact O-N 3.1Å; D829-L833 WeakPolarHBondContact O-CB 3.31Å; D829-L833 PolarHBondContact O-N 3.42Å
830E79.1Confident73.8Confident7 Ų747.1 Ų47.13%0.03325%0.249CC..Hα-helixtrans-64.5-45.3169.5-73.9177.5172.100113L766 S767 I770 L812 Q826 R828 W832 L833 I834L766-E830 HydrophobicContact CD2-CB 4.36Å; L766-E830 HydrophobicContact CD2-CG 3.55Å; S767-E830 WeakPolarHBondContact CA-OE1 3.46Å; S767-E830 WeakPolarHBondContact CB-OE1 3.06Å; S767-E830 PolarHBondContact N-OE1 3.3Å; S767-E830 PolarHBondContact OG-OE1 3.2Å; I770-E830 HydrophobicContact CD1-CB 3.64Å; I770-E830 VanDerWaalsContact CD1-CD 3.44Å; I770-E830 HydrophobicContact CD1-CG 3.58Å; I770-E830 WeakPolarHBondContact CD1-OE2 3.33Å; L812-E830 HydrophobicContact CD2-CB 4.25Å; L812-E830 VanDerWaalsContact CD2-OE2 3.3Å; L812-E830 WeakPolarHBondContact CD2-OE2 3.47Å; Q826-E830 HydrophobicContact CG-CG 4.26Å; Q826-E830 WeakPolarHBondContact CG-OE1 3.13Å; Q826-E830 PolarHBondContact NE2-OE1 3.49Å; Q826-E830 WeakPolarHBondContact O-CB 3.41Å; Q826-E830 VanDerWaalsContact O-CG 3.26Å; Q826-E830 WeakPolarHBondContact O-CG 3.4Å; Q826-E830 PolarHBondContact O-N 3.28Å; R828-E830 VanDerWaalsContact C-N 3.29Å; R828-E830 PolarHBondContact O-N 2.67Å; E830-W832 VanDerWaalsContact C-N 3.31Å; E830-W832 PolarHBondContact O-N 2.91Å; E830-L833 PolarHBondContact O-N 3.45Å; E830-I834 WeakPolarHBondContact O-CG1 3.03Å; E830-I834 PolarHBondContact O-N 2.51Å
831L82.5Confident75.6Confident0 Ų043.7 Ų43.70%021%0.214CC..Hα-helixtrans-61.5-41.1175.4-71.2174.3000111.5L812 F827 R828 L833 I834 L835 T872 M875 L876 Y880L812-L831 HydrophobicContact CD1-CD2 4.29Å; F827-L831 HydrophobicContact CD1-CD1 3.98Å; F827-L831 HydrophobicContact CD1-CG 4.48Å; F827-L831 HydrophobicContact CE1-CD1 3.54Å; F827-L831 HydrophobicContact CE1-CG 4.15Å; F827-L831 HydrophobicContact CZ-CD1 4.01Å; F827-L831 HydrophobicContact CZ-CD2 4.19Å; F827-L831 HydrophobicContact CZ-CG 4.21Å; F827-L831 WeakPolarHBondContact O-CG 3.24Å; F827-L831 PolarHBondContact O-N 2.59Å; F827-L831 VanDerWaalsContact O-N 3.08Å; R828-L831 PolarHBondContact O-N 2.98Å; L831-L833 VanDerWaalsContact C-N 3.35Å; L831-I834 PolarHBondContact O-N 2.81Å; L831-L835 WeakPolarHBondContact O-CG 3.44Å; L831-L835 PolarHBondContact O-N 2.98Å; L831-T872 HydrophobicContact CB-CG2 4.1Å; L831-T872 HydrophobicContact CD2-CG2 3.68Å; L831-T872 WeakPolarHBondContact O-CG2 3.46Å; L831-M875 HydrophobicContact CD1-CB 4.18Å; L831-M875 HydrophobicContact CD2-CB 4.02Å; L831-M875 HydrophobicContact CD2-CE 4.39Å; L831-M875 HydrophobicContact CD2-SD 4.36Å; L831-L876 HydrophobicContact CB-CD1 4.19Å; L831-L876 HydrophobicContact CD1-CB 4.22Å; L831-L876 HydrophobicContact CD1-CD1 4.19Å; L831-Y880 HydrophobicContact CD1-CE2 4.26Å
832W80.9Confident78Confident22 Ų2236.6 Ų36.68%0.08318%0.177CC..Hα-helixtrans-62.7-41.5174.1-84.8112.5000112.5R828 D829 E830 L835 G836 L876 I916 I917 I1416 V1419R828-W832 VanDerWaalsContact O-CD1 3.28Å; R828-W832 PolarHBondContact O-N 3.47Å; R828-W832 VanDerWaalsContact O-N 3.1Å; D829-W832 PolarHBondContact O-N 3.1Å; E830-W832 VanDerWaalsContact C-N 3.31Å; E830-W832 PolarHBondContact O-N 2.91Å; W832-L835 HydrophobicContact CE3-CD1 4.3Å; W832-L835 PolarHBondContact O-N 3.13Å; W832-G836 PolarHBondContact O-N 2.94Å; W832-L876 HydrophobicContact CD2-CD2 4.35Å; W832-L876 HydrophobicContact CH2-CD2 4.35Å; W832-L876 HydrophobicContact CZ2-CD2 3.75Å; W832-I916 HydrophobicContact CH2-CG2 3.87Å; W832-I916 HydrophobicContact CZ3-CG2 4.31Å; W832-I917 HydrophobicContact CZ3-CG1 4.4Å; W832-I1416 HydrophobicContact CD2-CD1 3.62Å; W832-I1416 HydrophobicContact CE3-CD1 3.95Å; W832-I1416 HydrophobicContact CG-CD1 3.99Å; W832-I1416 HydrophobicContact CH2-CD1 4.32Å; W832-I1416 HydrophobicContact CZ2-CD1 4.03Å; W832-I1416 HydrophobicContact CZ3-CD1 4.29Å; W832-V1419 HydrophobicContact CZ2-CG1 4.5Å; W832-V1419 HydrophobicContact CZ2-CG2 4.14Å
833L80.7Confident79.8Confident15 Ų1530.7 Ų30.78%0.07915%0.145CC..Hα-helixtrans-63.4-43.7176.3-18057.2000111.3L766 I770 D829 E830 L831 L835 G836 I837 L1412L766-L833 HydrophobicContact CD1-CD2 3.88Å; I770-L833 HydrophobicContact CG2-CB 4.46Å; I770-L833 HydrophobicContact CG2-CD2 3.73Å; I770-L833 HydrophobicContact CG2-CG 4.15Å; D829-L833 WeakPolarHBondContact O-CB 3.31Å; D829-L833 PolarHBondContact O-N 3.42Å; E830-L833 PolarHBondContact O-N 3.45Å; L831-L833 VanDerWaalsContact C-N 3.35Å; L833-L835 VanDerWaalsContact C-N 3.35Å; L833-L835 PolarHBondContact O-N 3.48Å; L833-G836 CarbonylContact O-C 3.59Å; L833-G836 WeakPolarHBondContact O-CA 3.47Å; L833-G836 PolarHBondContact O-N 3.12Å; L833-G836 VanDerWaalsContact O-N 3.11Å; L833-I837 HydrophobicContact CD1-CD1 4.15Å; L833-I837 HydrophobicContact CD1-CG1 4.27Å; L833-I837 HydrophobicContact CG-CD1 3.92Å; L833-I837 HydrophobicContact CG-CG1 4.49Å; L833-I837 VanDerWaalsContact O-CG1 3.24Å; L833-I837 WeakPolarHBondContact O-CG1 3.27Å; L833-I837 PolarHBondContact O-N 2.99Å; L833-L1412 HydrophobicContact CD1-CD1 3.79Å; L833-L1412 HydrophobicContact CD1-CD2 4.44Å
834I85.4Confident81.3Confident0 Ų024.3 Ų24.30%012%0.116CC..Hα-helixtrans-61.9-41.6175.5-68.2-65000111.5I770 L805 A808 V809 L812 E830 L831 G836 I837 A838 T872I770-I834 HydrophobicContact CG2-CD1 3.96Å; I770-I834 HydrophobicContact CG2-CG1 4.17Å; L805-I834 HydrophobicContact CD2-CG2 4.36Å; A808-I834 HydrophobicContact CB-CD1 3.88Å; V809-I834 HydrophobicContact CG2-CG2 3.99Å; L812-I834 HydrophobicContact CD1-CG1 3.77Å; E830-I834 WeakPolarHBondContact O-CG1 3.03Å; E830-I834 PolarHBondContact O-N 2.51Å; L831-I834 PolarHBondContact O-N 2.81Å; I834-G836 VanDerWaalsContact C-N 3.29Å; I834-G836 PolarHBondContact O-N 3.43Å; I834-I837 HydrophobicContact CD1-CD1 4.38Å; I834-I837 PolarHBondContact O-N 2.6Å; I834-A838 WeakPolarHBondContact O-CB 3.41Å; I834-A838 PolarHBondContact O-N 2.99Å; I834-T872 HydrophobicContact CB-CG2 4.1Å; I834-T872 HydrophobicContact CG2-CG2 3.9Å
835L84.5Confident82.3Confident0 Ų022.5 Ų22.50%010%0.104CC..Hα-helixtrans-59.3-42.8172.5-73.9170.1000111.2L831 W832 L833 I837 A838 K839 G869 T872 S873 L876 W913 I917L831-L835 WeakPolarHBondContact O-CG 3.44Å; L831-L835 PolarHBondContact O-N 2.98Å; W832-L835 HydrophobicContact CE3-CD1 4.3Å; W832-L835 PolarHBondContact O-N 3.13Å; L833-L835 VanDerWaalsContact C-N 3.35Å; L833-L835 PolarHBondContact O-N 3.48Å; L835-I837 VanDerWaalsContact C-N 3.34Å; L835-I837 PolarHBondContact O-N 2.69Å; L835-A838 PolarHBondContact O-N 3.12Å; L835-K839 PolarHBondContact O-N 3.45Å; L835-G869 WeakPolarHBondContact CD2-O 3.03Å; L835-T872 HydrophobicContact CD1-CG2 4.39Å; L835-T872 HydrophobicContact CD2-CG2 4.08Å; L835-T872 HydrophobicContact CG-CG2 3.71Å; L835-S873 WeakPolarHBondContact CD2-OG 3.38Å; L835-L876 HydrophobicContact CD1-CD2 4.22Å; L835-W913 HydrophobicContact CD2-CE3 4.16Å; L835-I917 HydrophobicContact CB-CD1 3.8Å; L835-I917 VanDerWaalsContact O-CD1 3.22Å; L835-I917 WeakPolarHBondContact O-CD1 3.35Å
836G82.1Confident83.1Confident2 Ų216.2 Ų16.22%0.0217%0.073CC..Hα-helixtrans-58.9-45175.300000112.2W832 L833 I834 K839 F840 L1412W832-G836 PolarHBondContact O-N 2.94Å; L833-G836 CarbonylContact O-C 3.59Å; L833-G836 WeakPolarHBondContact O-CA 3.47Å; L833-G836 PolarHBondContact O-N 3.12Å; L833-G836 VanDerWaalsContact O-N 3.11Å; I834-G836 VanDerWaalsContact C-N 3.29Å; I834-G836 PolarHBondContact O-N 3.43Å; G836-K839 PolarHBondContact O-N 3.27Å; G836-F840 WeakPolarHBondContact O-CB 3.36Å; G836-F840 PolarHBondContact O-N 2.91Å; G836-L1412 WeakPolarHBondContact O-CD2 3.38Å
837I84.2Confident83.4Confident0 Ų015.1 Ų15.10%07%0.068CC..Hα-helixtrans-67.3-39.9177.7-64.8164.7000110.6V773 W774 L777 L805 L833 I834 L835 K839 F840 A841 L1412V773-I837 HydrophobicContact CB-CD1 4.03Å; V773-I837 HydrophobicContact CG1-CD1 3.9Å; V773-I837 HydrophobicContact CG1-CG2 3.76Å; W774-I837 HydrophobicContact CB-CD1 3.93Å; W774-I837 HydrophobicContact CB-CG1 4.1Å; L777-I837 HydrophobicContact CD1-CG2 3.59Å; L805-I837 HydrophobicContact CD2-CB 4.3Å; L805-I837 HydrophobicContact CD2-CG2 3.76Å; L833-I837 HydrophobicContact CD1-CD1 4.15Å; L833-I837 HydrophobicContact CD1-CG1 4.27Å; L833-I837 HydrophobicContact CG-CD1 3.92Å; L833-I837 HydrophobicContact CG-CG1 4.49Å; L833-I837 VanDerWaalsContact O-CG1 3.24Å; L833-I837 WeakPolarHBondContact O-CG1 3.27Å; L833-I837 PolarHBondContact O-N 2.99Å; I834-I837 HydrophobicContact CD1-CD1 4.38Å; I834-I837 PolarHBondContact O-N 2.6Å; L835-I837 VanDerWaalsContact C-N 3.34Å; L835-I837 PolarHBondContact O-N 2.69Å; I837-K839 VanDerWaalsContact C-N 3.34Å; I837-K839 PolarHBondContact O-N 3.09Å; I837-F840 WeakPolarHBondContact O-CB 3.49Å; I837-F840 PolarHBondContact O-N 2.63Å; I837-A841 WeakPolarHBondContact O-CB 3.4Å; I837-A841 PolarHBondContact O-N 2.94Å; I837-L1412 HydrophobicContact CG1-CD2 4.16Å
838A88.8Confident83.5Confident0 Ų015.7 Ų15.70%07%0.073CC..Hα-helixtrans-62.1-42.4175.600000111.2L805 I834 L835 A841 L842 W913L805-A838 HydrophobicContact CD1-CB 4.3Å; I834-A838 WeakPolarHBondContact O-CB 3.41Å; I834-A838 PolarHBondContact O-N 2.99Å; L835-A838 PolarHBondContact O-N 3.12Å; A838-A841 PolarHBondContact O-N 2.6Å; A838-L842 WeakPolarHBondContact O-CB 3.42Å; A838-L842 PolarHBondContact O-N 3.5Å; A838-W913 HydrophobicContact CB-CH2 3.91Å; A838-W913 HydrophobicContact CB-CZ3 4.17Å
839K87.2Confident83.7Confident43 Ų4312.8 Ų12.819%0.1876%0.063CC..Hα-helixtrans-59.2-51.2171.4176.8-179.2166.8179.50110.4L835 G836 I837 A841 L842 Y843 W913 I917 D918L835-K839 PolarHBondContact O-N 3.45Å; G836-K839 PolarHBondContact O-N 3.27Å; I837-K839 VanDerWaalsContact C-N 3.34Å; I837-K839 PolarHBondContact O-N 3.09Å; K839-A841 VanDerWaalsContact C-N 3.3Å; K839-A841 PolarHBondContact O-N 3.13Å; K839-L842 PolarHBondContact O-N 3.16Å; K839-Y843 HydrophobicContact CD-CE2 4.45Å; K839-Y843 HydrophobicContact CG-CD2 3.89Å; K839-Y843 HydrophobicContact CG-CE2 3.83Å; K839-Y843 WeakPolarHBondContact O-CD2 3.48Å; K839-Y843 PolarHBondContact O-N 3.38Å; K839-W913 HydrophobicContact CB-CH2 4.27Å; K839-W913 HydrophobicContact CB-CZ3 4.14Å; K839-I917 HydrophobicContact CB-CD1 4.11Å; K839-I917 HydrophobicContact CB-CG2 4.39Å; K839-I917 HydrophobicContact CD-CD1 4.45Å; K839-I917 HydrophobicContact CD-CG2 4.05Å; K839-D918 IonicContact NZ-OD2 3.33Å; K839-D918 PolarHBondContact NZ-OD2 3.14Å
840F85.4Confident84Confident9 Ų912.7 Ų12.74%0.0397%0.066CC..Hα-helixtrans-54.6-45.6178.9168.9-86.6000112.3L777 W781 M797 G836 I837 R844 I1410L777-F840 HydrophobicContact CB-CE1 4.02Å; W781-F840 HydrophobicContact CB-CZ 4.48Å; M797-F840 HydrophobicContact CE-CD1 4.17Å; M797-F840 HydrophobicContact CE-CE1 3.48Å; M797-F840 VanDerWaalsContact CE-CE1 3.48Å; M797-F840 HydrophobicContact CE-CZ 4.37Å; G836-F840 WeakPolarHBondContact O-CB 3.36Å; G836-F840 PolarHBondContact O-N 2.91Å; I837-F840 WeakPolarHBondContact O-CB 3.49Å; I837-F840 PolarHBondContact O-N 2.63Å; F840-R844 VanDerWaalsContact CE2-NH1 3.34Å; F840-R844 WeakPolarHBondContact O-CD 3.25Å; F840-R844 WeakPolarHBondContact O-CG 3.41Å; F840-R844 PolarHBondContact O-N 3.33Å; F840-R844 PolarHBondContact O-NH1 3.46Å; F840-I1410 HydrophobicContact CD2-CD1 4.18Å; F840-I1410 HydrophobicContact CD2-CG2 4.37Å; F840-I1410 HydrophobicContact CE2-CD1 3.7Å
841A88.3Confident84.2Confident0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-68-42.3179.400000112L805 I837 A838 K839 R844 S845 I865L805-A841 HydrophobicContact CD1-CB 4.11Å; I837-A841 WeakPolarHBondContact O-CB 3.4Å; I837-A841 PolarHBondContact O-N 2.94Å; A838-A841 PolarHBondContact O-N 2.6Å; K839-A841 VanDerWaalsContact C-N 3.3Å; K839-A841 PolarHBondContact O-N 3.13Å; A841-R844 PolarHBondContact O-N 3.01Å; A841-S845 WeakPolarHBondContact O-CB 3.34Å; A841-S845 PolarHBondContact O-N 3.05Å; A841-S845 PolarHBondContact O-OG 3.01Å; A841-I865 HydrophobicContact CB-CD1 4.34Å
842L89.8Confident84.4Confident0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-58.5-53.7-179.3-179.665.3000111.5A838 K839 R844 S845 A846 V852 L862 I865 H866 W913 L914A838-L842 WeakPolarHBondContact O-CB 3.42Å; A838-L842 PolarHBondContact O-N 3.5Å; K839-L842 PolarHBondContact O-N 3.16Å; L842-R844 PolarHBondContact O-N 2.8Å; L842-S845 PolarHBondContact O-N 3.31Å; L842-A846 VanDerWaalsContact O-CB 3.31Å; L842-A846 WeakPolarHBondContact O-CB 3.43Å; L842-A846 PolarHBondContact O-N 3.46Å; L842-V852 HydrophobicContact CD2-CG1 4.13Å; L842-L862 HydrophobicContact CD1-CD2 4.31Å; L842-I865 HydrophobicContact CB-CG2 4.06Å; L842-I865 HydrophobicContact CD1-CG2 4.42Å; L842-H866 WeakPolarHBondContact CD1-NE2 3.26Å; L842-W913 HydrophobicContact CD2-CH2 4.35Å; L842-W913 HydrophobicContact CD2-CZ2 3.97Å; L842-L914 HydrophobicContact CD2-CD1 4.03Å; L842-L914 HydrophobicContact CD2-CD2 4.01Å
843Y87.8Confident84.5Confident8 Ų814 Ų143%0.0317%0.074CC..Hα-helixtrans-65.4-23.8-178.5-77.7-83000113.5K839 V852 L921 I941 E944 L945K839-Y843 HydrophobicContact CD-CE2 4.45Å; K839-Y843 HydrophobicContact CG-CD2 3.89Å; K839-Y843 HydrophobicContact CG-CE2 3.83Å; K839-Y843 WeakPolarHBondContact O-CD2 3.48Å; K839-Y843 PolarHBondContact O-N 3.38Å; Y843-V852 HydrophobicContact CE1-CG1 4.03Å; Y843-L921 VanDerWaalsContact OH-CD2 3.22Å; Y843-L921 WeakPolarHBondContact OH-CD2 3.41Å; Y843-I941 HydrophobicContact CE1-CG2 4.48Å; Y843-E944 HydrophobicContact CD1-CB 3.93Å; Y843-E944 HydrophobicContact CE1-CB 3.53Å; Y843-E944 HydrophobicContact CE1-CG 4.36Å; Y843-L945 HydrophobicContact CD1-CD2 4.06Å; Y843-L945 HydrophobicContact CD1-CG 4.31Å
844R86.1Confident84.6Confident15 Ų1514 Ų146%0.0578%0.076CC..Hα-helixtrans-88.8-10.8175.9-70.9171.2172.166.98.6113.8W781 R794 M797 F840 A841 L842 V948W781-R844 HydrophobicContact CD2-CB 4.1Å; W781-R844 HydrophobicContact CD2-CG 3.89Å; W781-R844 HydrophobicContact CE3-CB 4.03Å; W781-R844 HydrophobicContact CE3-CG 4.34Å; W781-R844 HydrophobicContact CG-CG 4.33Å; W781-R844 HydrophobicContact CH2-CB 4.13Å; W781-R844 HydrophobicContact CH2-CG 4.4Å; W781-R844 HydrophobicContact CZ2-CB 4.18Å; W781-R844 HydrophobicContact CZ2-CG 3.95Å; W781-R844 HydrophobicContact CZ3-CB 4.04Å; W781-R844 WeakPolarHBondContact CZ3-O 3.29Å; R794-R844 VanDerWaalsContact CG-O 3.3Å; R794-R844 WeakPolarHBondContact CG-O 3.48Å; M797-R844 HydrophobicContact CG-CB 3.93Å; F840-R844 VanDerWaalsContact CE2-NH1 3.34Å; F840-R844 WeakPolarHBondContact O-CD 3.25Å; F840-R844 WeakPolarHBondContact O-CG 3.41Å; F840-R844 PolarHBondContact O-N 3.33Å; F840-R844 PolarHBondContact O-NH1 3.46Å; A841-R844 PolarHBondContact O-N 3.01Å; L842-R844 PolarHBondContact O-N 2.8Å; R844-V948 HydrophobicContact CB-CG1 4.18Å; R844-V948 HydrophobicContact CG-CG1 3.15Å
845S87.1Confident84.2Confident8 Ų817.4 Ų17.46%0.05610%0.097CC..Hα-helixtrans-107.1-29.8-178.3-58.70000111.5A798 A841 L842A798-S845 VanDerWaalsContact CA-OG 3.31Å; A798-S845 WeakPolarHBondContact CA-OG 3.45Å; A798-S845 PolarHBondContact N-OG 3.14Å; A841-S845 WeakPolarHBondContact O-CB 3.34Å; A841-S845 PolarHBondContact O-N 3.05Å; A841-S845 PolarHBondContact O-OG 3.01Å; L842-S845 PolarHBondContact O-N 3.31Å
846A85Confident83.7Confident3 Ų320.2 Ų20.23%0.02513%0.126CC..  trans-78.8140.2-17800000112.5L842 E851 V852 L945L842-A846 VanDerWaalsContact O-CB 3.31Å; L842-A846 WeakPolarHBondContact O-CB 3.43Å; L842-A846 PolarHBondContact O-N 3.46Å; A846-E851 WeakPolarHBondContact CA-OE2 3.13Å; A846-E851 HydrophobicContact CB-CB 3.88Å; A846-V852 HydrophobicContact CB-CG2 3.6Å; A846-L945 HydrophobicContact CB-CD2 4.2Å
847E77.6Confident83.5Confident46 Ų4628.6 Ų28.622%0.21517%0.171CC..SBendtrans-97.5-37.9170.2177163.5169.900111.9G505 R794 E851G505-E847 WeakPolarHBondContact CA-OE1 3.38Å; G505-E847 PolarHBondContact N-OE1 2.83Å; R794-E847 IonicContact CZ-OE2 3.25Å; R794-E847 VanDerWaalsContact NH1-CA 3.3Å; R794-E847 VanDerWaalsContact NH1-CB 3.3Å; R794-E847 VanDerWaalsContact NH1-CG 3.3Å; R794-E847 IonicContact NH1-OE2 2.85Å; R794-E847 IonicContact NH2-OE1 3.36Å; R794-E847 IonicContact NH2-OE2 3.92Å; R794-E847 PolarHBondContact NH2-OE2 2.78Å; E847-E851 PolarHBondContact N-OE2 3.4Å
848T79.3Confident83.4Confident32 Ų3230.4 Ų30.420%0.19618%0.18CC..SBendtrans-115.7155.2-172.566.70000112.3S850 E851 V852T848-S850 PolarHBondContact O-N 3.26Å; T848-E851 WeakPolarHBondContact O-CB 3.23Å; T848-E851 PolarHBondContact O-N 2.75Å; T848-E851 VanDerWaalsContact O-N 3.14Å; T848-E851 VanDerWaalsContact OG1-CD 3.27Å; T848-E851 WeakPolarHBondContact OG1-CG 3.49Å; T848-E851 PolarHBondContact OG1-N 3.12Å; T848-E851 PolarHBondContact OG1-OE1 3.27Å; T848-V852 PolarHBondContact O-N 3.03Å
849I80.3Confident83.2Confident16 Ų1632.6 Ų32.68%0.08220%0.196CC..Hα-helixtrans-57.4-37.9172.3-54.4173.3000110.5E851 V852 L853 M930 E938 I941 E942I849-E851 VanDerWaalsContact C-N 3.29Å; I849-E851 PolarHBondContact O-N 3.2Å; I849-V852 PolarHBondContact O-N 3.41Å; I849-L853 HydrophobicContact CG2-CD1 4.02Å; I849-L853 HydrophobicContact CG2-CG 4.32Å; I849-L853 WeakPolarHBondContact O-CG 3.47Å; I849-L853 PolarHBondContact O-N 2.9Å; I849-M930 HydrophobicContact CG2-CE 3.45Å; I849-M930 VanDerWaalsContact CG2-CE 3.45Å; I849-E938 HydrophobicContact CD1-CB 3.76Å; I849-E938 HydrophobicContact CD1-CG 3.79Å; I849-I941 HydrophobicContact CB-CG2 4.39Å; I849-I941 HydrophobicContact CG1-CG2 4.22Å; I849-I941 HydrophobicContact CG2-CB 4.3Å; I849-I941 HydrophobicContact CG2-CD1 3.83Å; I849-I941 HydrophobicContact CG2-CG2 4.03Å; I849-E942 HydrophobicContact CD1-CG 3.65Å; I849-E942 WeakPolarHBondContact CD1-OE1 3.49Å; I849-E942 HydrophobicContact CG1-CG 4.09Å; I849-E942 WeakPolarHBondContact CG1-OE1 3.33Å
850S81.7Confident83.2Confident41 Ų4135.8 Ų35.829%0.28722%0.218SC..Hα-helixtrans-59.2-40.2177.9-57.20000112.2T848 L853 G854 V855T848-S850 PolarHBondContact O-N 3.26Å; S850-L853 PolarHBondContact O-N 3.18Å; S850-G854 PolarHBondContact O-N 3.49Å; S850-G854 VanDerWaalsContact O-N 3.11Å; S850-V855 WeakPolarHBondContact CB-O 3.46Å; S850-V855 PolarHBondContact O-N 2.95Å
851E84.5Confident83.4Confident42 Ų4238 Ų3820%0.19623%0.229CC..Hα-helixtrans-65.6-42.7175.7-74.8156.3-132.100112.1A846 E847 T848 I849 L853 G854 L858 L862 H866A846-E851 WeakPolarHBondContact CA-OE2 3.13Å; A846-E851 HydrophobicContact CB-CB 3.88Å; E847-E851 PolarHBondContact N-OE2 3.4Å; T848-E851 WeakPolarHBondContact O-CB 3.23Å; T848-E851 PolarHBondContact O-N 2.75Å; T848-E851 VanDerWaalsContact O-N 3.14Å; T848-E851 VanDerWaalsContact OG1-CD 3.27Å; T848-E851 WeakPolarHBondContact OG1-CG 3.49Å; T848-E851 PolarHBondContact OG1-N 3.12Å; T848-E851 PolarHBondContact OG1-OE1 3.27Å; I849-E851 VanDerWaalsContact C-N 3.29Å; I849-E851 PolarHBondContact O-N 3.2Å; E851-L853 VanDerWaalsContact C-N 3.27Å; E851-L853 PolarHBondContact O-N 3.15Å; E851-G854 PolarHBondContact O-N 3.03Å; E851-G854 VanDerWaalsContact O-N 3.08Å; E851-L858 HydrophobicContact CB-CD2 4.34Å; E851-L858 HydrophobicContact CG-CD2 4.22Å; E851-L862 HydrophobicContact CB-CD1 3.98Å; E851-L862 HydrophobicContact CG-CD1 3.74Å; E851-H866 PolarHBondContact O-NE2 2.91Å
852V85.5Confident83.4Confident0 Ų038.4 Ų38.40%023%0.231CC..Hα-helixtrans-62.2-36.4175.2179.40000111.5L842 Y843 A846 T848 I849 G854 H866 L914 I941 L945L842-V852 HydrophobicContact CD2-CG1 4.13Å; Y843-V852 HydrophobicContact CE1-CG1 4.03Å; A846-V852 HydrophobicContact CB-CG2 3.6Å; T848-V852 PolarHBondContact O-N 3.03Å; I849-V852 PolarHBondContact O-N 3.41Å; V852-G854 PolarHBondContact O-N 2.95Å; V852-H866 PolarHBondContact O-CE1 3.46Å; V852-H866 PolarHBondContact O-NE2 3.38Å; V852-L914 HydrophobicContact CG1-CD1 4.22Å; V852-L914 WeakPolarHBondContact O-CD1 3.25Å; V852-I941 HydrophobicContact CB-CG2 4.19Å; V852-I941 HydrophobicContact CG1-CG2 4.14Å; V852-I941 HydrophobicContact CG2-CG2 4.17Å; V852-L945 HydrophobicContact CG2-CD1 4.2Å; V852-L945 HydrophobicContact CG2-CD2 3.83Å; V852-L945 HydrophobicContact CG2-CG 4.26Å
853L84.2Confident83.5Confident15 Ų1541.5 Ų41.58%0.07925%0.248CC..THydrogen-bonded Turntrans-80.2-4.8177.8-65.7176.1000113.6I849 S850 E851 V855 S911 P926 M930 I941I849-L853 HydrophobicContact CG2-CD1 4.02Å; I849-L853 HydrophobicContact CG2-CG 4.32Å; I849-L853 WeakPolarHBondContact O-CG 3.47Å; I849-L853 PolarHBondContact O-N 2.9Å; S850-L853 PolarHBondContact O-N 3.18Å; E851-L853 VanDerWaalsContact C-N 3.27Å; E851-L853 PolarHBondContact O-N 3.15Å; L853-V855 VanDerWaalsContact C-N 3.26Å; L853-V855 HydrophobicContact CB-CG2 3.88Å; L853-V855 PolarHBondContact O-N 3Å; L853-S911 WeakPolarHBondContact O-CB 3.11Å; L853-S911 PolarHBondContact O-OG 2.89Å; L853-P926 HydrophobicContact CD2-CB 3.57Å; L853-M930 HydrophobicContact CD1-CE 3.6Å; L853-M930 HydrophobicContact CD1-CG 3.69Å; L853-M930 HydrophobicContact CD1-SD 4.39Å; L853-M930 HydrophobicContact CD2-CG 4.46Å; L853-M930 HydrophobicContact CG-CE 4.44Å; L853-I941 HydrophobicContact CD2-CD1 4.02Å; L853-I941 HydrophobicContact CG-CD1 4.38Å
854G81.2Confident83.6Confident13 Ų1342.6 Ų42.613%0.13426%0.255CS..THydrogen-bonded Turntrans63.431.4-175.100000113.2S850 E851 V852S850-G854 PolarHBondContact O-N 3.49Å; S850-G854 VanDerWaalsContact O-N 3.11Å; E851-G854 PolarHBondContact O-N 3.03Å; E851-G854 VanDerWaalsContact O-N 3.08Å; V852-G854 PolarHBondContact O-N 2.95Å
855V77.5Confident83.8Confident73 Ų7341.9 Ų41.944%0.44225%0.252SS..  trans-111.7131.2-177.3-176.30000110.4S850 L853 I927S850-V855 WeakPolarHBondContact CB-O 3.46Å; S850-V855 PolarHBondContact O-N 2.95Å; L853-V855 VanDerWaalsContact C-N 3.26Å; L853-V855 HydrophobicContact CB-CG2 3.88Å; L853-V855 PolarHBondContact O-N 3Å; V855-I927 HydrophobicContact CG2-CD1 4.38Å
856G74.8Confident84Confident59 Ų5941.5 Ų41.561%0.60825%0.25SC*.SBendtrans97.8-160.9178.800000113.3L858G856-L858 PolarHBondContact O-N 2.87Å
857N77Confident84.2Confident178 Ų17844.1 Ų44.195%0.95227%0.266SS*.SBendtrans-80.387.9179.8-72.1-5.7000109.9
858L81.3Confident84.7Confident37 Ų3742.4 Ų42.419%0.19426%0.258CS..  trans-71.9149.7173.5-58171.7000110.8E851 G856 L862 N863 L910E851-L858 HydrophobicContact CB-CD2 4.34Å; E851-L858 HydrophobicContact CG-CD2 4.22Å; G856-L858 PolarHBondContact O-N 2.87Å; L858-L862 HydrophobicContact CB-CB 4.47Å; L858-N863 HydrophobicContact CB-CB 4.37Å; L858-N863 HydrophobicContact CD1-CB 4.5Å; L858-L910 HydrophobicContact CD1-CD1 4.06Å
859S84.9Confident85.2Confident47 Ų4740.9 Ų40.933%0.32925%0.249SC..  trans-64.8159.3164.671.90000110.6E861 L862 N863S859-E861 WeakPolarHBondContact CB-OE2 3.3Å; S859-E861 PolarHBondContact O-N 2.74Å; S859-E861 PolarHBondContact OG-OE2 3.45Å; S859-L862 PolarHBondContact O-N 3.18Å; S859-L862 WeakPolarHBondContact OG-CB 2.9Å; S859-L862 WeakPolarHBondContact OG-CG 2.77Å; S859-L862 PolarHBondContact OG-N 3.49Å; S859-N863 WeakPolarHBondContact O-CB 3.4Å; S859-N863 PolarHBondContact O-N 3.2Å
860V87.5Confident85.6Confident109 Ų10940.8 Ų40.866%0.66125%0.248SC*.Hα-helixtrans-58.7-38.8177.8178.50000110T864V860-T864 WeakPolarHBondContact O-CB 3.17Å; V860-T864 PolarHBondContact O-N 3.24Å; V860-T864 PolarHBondContact O-OG1 3Å
861E90.5Very high85.8Confident56 Ų5642.5 Ų42.526%0.26225%0.254SS..Hα-helixtrans-64.4-50.1179.6-63.271.6-157.100111.6A798 H799 S859 N863 T864 I865A798-E861 HydrophobicContact CB-CB 3.88Å; A798-E861 HydrophobicContact CB-CG 4.48Å; H799-E861 HydrophobicContact CB-CG 4.19Å; H799-E861 IonicContact ND1-OE1 3.59Å; H799-E861 PolarHBondContact ND1-OE1 2.82Å; S859-E861 WeakPolarHBondContact CB-OE2 3.3Å; S859-E861 PolarHBondContact O-N 2.74Å; S859-E861 PolarHBondContact OG-OE2 3.45Å; E861-N863 PolarHBondContact O-N 2.87Å; E861-T864 WeakPolarHBondContact O-CB 3.49Å; E861-T864 PolarHBondContact O-N 3.02Å; E861-T864 VanDerWaalsContact O-N 3.14Å; E861-I865 WeakPolarHBondContact O-CG1 3.35Å; E861-I865 PolarHBondContact O-N 3.41Å
862L88.8Confident85.8Confident8 Ų840.5 Ų40.54%0.04224%0.244CC..Hα-helixtrans-66.2-39.3179.7-72.9173.6000111.8L842 E851 L858 S859 T864 I865 H866L842-L862 HydrophobicContact CD1-CD2 4.31Å; E851-L862 HydrophobicContact CB-CD1 3.98Å; E851-L862 HydrophobicContact CG-CD1 3.74Å; L858-L862 HydrophobicContact CB-CB 4.47Å; S859-L862 PolarHBondContact O-N 3.18Å; S859-L862 WeakPolarHBondContact OG-CB 2.9Å; S859-L862 WeakPolarHBondContact OG-CG 2.77Å; S859-L862 PolarHBondContact OG-N 3.49Å; L862-T864 VanDerWaalsContact C-N 3.25Å; L862-T864 PolarHBondContact O-N 3.27Å; L862-I865 HydrophobicContact CD2-CD1 4.39Å; L862-I865 PolarHBondContact O-N 3.29Å; L862-H866 PolarHBondContact O-CD2 3.01Å; L862-H866 PolarHBondContact O-N 2.92Å
863N90.3Very high85.8Confident66 Ų6640.5 Ų40.535%0.35324%0.244SC..Hα-helixtrans-59.6-40.9173.2-168.821.4000110.8L858 S859 E861 I865 H866 T867L858-N863 HydrophobicContact CB-CB 4.37Å; L858-N863 HydrophobicContact CD1-CB 4.5Å; S859-N863 WeakPolarHBondContact O-CB 3.4Å; S859-N863 PolarHBondContact O-N 3.2Å; E861-N863 PolarHBondContact O-N 2.87Å; N863-I865 VanDerWaalsContact C-N 3.35Å; N863-I865 PolarHBondContact O-N 3Å; N863-H866 PolarHBondContact O-N 3.41Å; N863-T867 VanDerWaalsContact O-CG2 3.32Å; N863-T867 WeakPolarHBondContact O-CG2 3.42Å; N863-T867 PolarHBondContact O-N 3.4Å; N863-T867 PolarHBondContact O-OG1 2.92Å
864T90.1Very high85.6Confident30 Ų3042 Ų4218%0.18425%0.251CS..Hα-helixtrans-64-37.5176.3-53.90000112.4E806 V860 E861 L862 T867 T868E806-T864 HydrophobicContact CB-CG2 4.4Å; V860-T864 WeakPolarHBondContact O-CB 3.17Å; V860-T864 PolarHBondContact O-N 3.24Å; V860-T864 PolarHBondContact O-OG1 3Å; E861-T864 WeakPolarHBondContact O-CB 3.49Å; E861-T864 PolarHBondContact O-N 3.02Å; E861-T864 VanDerWaalsContact O-N 3.14Å; L862-T864 VanDerWaalsContact C-N 3.25Å; L862-T864 PolarHBondContact O-N 3.27Å; T864-T867 WeakPolarHBondContact CA-OG1 3.38Å; T864-T867 PolarHBondContact O-N 2.87Å; T864-T867 PolarHBondContact O-OG1 3.21Å; T864-T867 VanDerWaalsContact O-OG1 3.05Å; T864-T868 HydrophobicContact CG2-CG2 4.36Å; T864-T868 WeakPolarHBondContact O-CB 3.49Å; T864-T868 VanDerWaalsContact O-CG2 3.23Å; T864-T868 WeakPolarHBondContact O-CG2 3.37Å; T864-T868 PolarHBondContact O-N 3.41Å; T864-T868 PolarHBondContact O-OG1 2.97Å
865I91.1Very high85.6Confident0 Ų042 Ų420%025%0.248CC..Hα-helixtrans-64.5-43.3173.9-64.4169.2000110.8L805 A841 L842 E861 L862 N863 T868 G869L805-I865 HydrophobicContact CD1-CG1 4.3Å; L805-I865 HydrophobicContact CD1-CG2 4.42Å; A841-I865 HydrophobicContact CB-CD1 4.34Å; L842-I865 HydrophobicContact CB-CG2 4.06Å; L842-I865 HydrophobicContact CD1-CG2 4.42Å; E861-I865 WeakPolarHBondContact O-CG1 3.35Å; E861-I865 PolarHBondContact O-N 3.41Å; L862-I865 HydrophobicContact CD2-CD1 4.39Å; L862-I865 PolarHBondContact O-N 3.29Å; N863-I865 VanDerWaalsContact C-N 3.35Å; N863-I865 PolarHBondContact O-N 3Å; I865-T868 WeakPolarHBondContact CA-OG1 3.29Å; I865-T868 PolarHBondContact O-OG1 3.33Å; I865-G869 PolarHBondContact O-N 3.45Å
866H91.6Very high85.7Confident0 Ų038.7 Ų38.70%023%0.227CC..Hα-helixtrans-64.4-44.6175.8-88-76.8000113L842 E851 V852 L862 N863 G869 L870 L910 W913L842-H866 WeakPolarHBondContact CD1-NE2 3.26Å; E851-H866 PolarHBondContact O-NE2 2.91Å; V852-H866 PolarHBondContact O-CE1 3.46Å; V852-H866 PolarHBondContact O-NE2 3.38Å; L862-H866 PolarHBondContact O-CD2 3.01Å; L862-H866 PolarHBondContact O-N 2.92Å; N863-H866 PolarHBondContact O-N 3.41Å; H866-G869 PolarHBondContact O-N 3.2Å; H866-L870 WeakPolarHBondContact O-CB 3.46Å; H866-L870 PolarHBondContact O-N 3.48Å; H866-L910 HydrophobicContact CB-CB 4.11Å; H866-L910 PolarHBondContact ND1-O 3.43Å; H866-W913 AromaticContact ND1-NE1 3.34Å; H866-W913 PolarHBondContact ND1-NE1 3.11Å
867T89Confident85.9Confident59 Ų5936.4 Ų36.436%0.36220%0.201SC..Hα-helixtrans-68.2-37.7-179.656.40000111.7N863 T864 L870 L871 L910N863-T867 VanDerWaalsContact O-CG2 3.32Å; N863-T867 WeakPolarHBondContact O-CG2 3.42Å; N863-T867 PolarHBondContact O-N 3.4Å; N863-T867 PolarHBondContact O-OG1 2.92Å; T864-T867 WeakPolarHBondContact CA-OG1 3.38Å; T864-T867 PolarHBondContact O-N 2.87Å; T864-T867 PolarHBondContact O-OG1 3.21Å; T864-T867 VanDerWaalsContact O-OG1 3.05Å; T867-L870 PolarHBondContact O-N 3.1Å; T867-L871 VanDerWaalsContact O-CB 3.24Å; T867-L871 WeakPolarHBondContact O-CB 3.37Å; T867-L871 PolarHBondContact O-N 3.49Å; T867-L910 HydrophobicContact CG2-CD2 4.46Å
868T88.6Confident85.8Confident10 Ų1030.5 Ų30.56%0.06117%0.174CC..Hα-helixtrans-64.9-43.4173.3500000111.6L805 V809 T864 I865 L870 L871 T872L805-T868 HydrophobicContact CB-CG2 4.29Å; V809-T868 HydrophobicContact CG2-CG2 4.5Å; T864-T868 HydrophobicContact CG2-CG2 4.36Å; T864-T868 WeakPolarHBondContact O-CB 3.49Å; T864-T868 VanDerWaalsContact O-CG2 3.23Å; T864-T868 WeakPolarHBondContact O-CG2 3.37Å; T864-T868 PolarHBondContact O-N 3.41Å; T864-T868 PolarHBondContact O-OG1 2.97Å; I865-T868 WeakPolarHBondContact CA-OG1 3.29Å; I865-T868 PolarHBondContact O-OG1 3.33Å; T868-L870 PolarHBondContact O-N 3.45Å; T868-L871 PolarHBondContact O-N 3.35Å; T868-T872 WeakPolarHBondContact O-CB 3.49Å; T868-T872 PolarHBondContact O-N 3.01Å; T868-T872 PolarHBondContact O-OG1 3.05Å
869G89.1Confident85.5Confident0 Ų029.5 Ų29.50%017%0.17CC..Hα-helixtrans-60.8-42.4173.200000112.9L835 I865 H866 S873L835-G869 WeakPolarHBondContact CD2-O 3.03Å; I865-G869 PolarHBondContact O-N 3.45Å; H866-G869 PolarHBondContact O-N 3.2Å; G869-S873 PolarHBondContact O-N 2.67Å; G869-S873 PolarHBondContact O-OG 3.15Å
870L88Confident85.1Confident14 Ų1429.2 Ų29.27%0.07316%0.162CC..Hα-helixtrans-65.5-47.5176.4-174.968.7000112.1H866 T867 T868 T872 S873 Q874 F908 V1429H866-L870 WeakPolarHBondContact O-CB 3.46Å; H866-L870 PolarHBondContact O-N 3.48Å; T867-L870 PolarHBondContact O-N 3.1Å; T868-L870 PolarHBondContact O-N 3.45Å; L870-T872 VanDerWaalsContact C-N 3.34Å; L870-T872 PolarHBondContact O-N 3.27Å; L870-S873 WeakPolarHBondContact O-CB 3.17Å; L870-S873 PolarHBondContact O-N 2.62Å; L870-S873 VanDerWaalsContact O-N 3.13Å; L870-Q874 WeakPolarHBondContact O-CG 3.31Å; L870-Q874 PolarHBondContact O-N 2.98Å; L870-F908 HydrophobicContact CD1-CE2 4.29Å; L870-F908 HydrophobicContact CD2-CE2 3.85Å; L870-F908 HydrophobicContact CD2-CZ 3.62Å; L870-V1429 HydrophobicContact CD1-CB 3.95Å; L870-V1429 HydrophobicContact CD1-CG1 4.33Å
871L86.1Confident84.5Confident76 Ų7624.6 Ų24.640%0.39813%0.134SC..Hα-helixtrans-64.1-40.7-179.5-169.8129.7000111.2V809 T867 T868 S873 Q874 M875V809-L871 HydrophobicContact CG1-CD2 3.27Å; T867-L871 VanDerWaalsContact O-CB 3.24Å; T867-L871 WeakPolarHBondContact O-CB 3.37Å; T867-L871 PolarHBondContact O-N 3.49Å; T868-L871 PolarHBondContact O-N 3.35Å; L871-S873 VanDerWaalsContact C-N 3.28Å; L871-S873 PolarHBondContact O-N 3.41Å; L871-Q874 WeakPolarHBondContact O-CB 3.49Å; L871-Q874 PolarHBondContact O-N 3.11Å; L871-M875 HydrophobicContact CD2-CG 4.4Å; L871-M875 HydrophobicContact CD2-SD 3.68Å; L871-M875 VanDerWaalsContact O-CG 3.31Å; L871-M875 WeakPolarHBondContact O-CG 3.38Å; L871-M875 PolarHBondContact O-N 3.25Å
872T85.7Confident83.8Confident0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-61.8-38.6174-51.30000111.2L831 I834 L835 T868 L870 M875 L876L831-T872 HydrophobicContact CB-CG2 4.1Å; L831-T872 HydrophobicContact CD2-CG2 3.68Å; L831-T872 WeakPolarHBondContact O-CG2 3.46Å; I834-T872 HydrophobicContact CB-CG2 4.1Å; I834-T872 HydrophobicContact CG2-CG2 3.9Å; L835-T872 HydrophobicContact CD1-CG2 4.39Å; L835-T872 HydrophobicContact CD2-CG2 4.08Å; L835-T872 HydrophobicContact CG-CG2 3.71Å; T868-T872 WeakPolarHBondContact O-CB 3.49Å; T868-T872 PolarHBondContact O-N 3.01Å; T868-T872 PolarHBondContact O-OG1 3.05Å; L870-T872 VanDerWaalsContact C-N 3.34Å; L870-T872 PolarHBondContact O-N 3.27Å; T872-M875 PolarHBondContact O-N 3.37Å; T872-L876 WeakPolarHBondContact O-CB 3.4Å; T872-L876 PolarHBondContact O-N 3.4Å
873S83.9Confident82.9Confident0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-65.8-40.6174.8-59.20000112.6L835 G869 L870 L871 L876 L877 W913L835-S873 WeakPolarHBondContact CD2-OG 3.38Å; G869-S873 PolarHBondContact O-N 2.67Å; G869-S873 PolarHBondContact O-OG 3.15Å; L870-S873 WeakPolarHBondContact O-CB 3.17Å; L870-S873 PolarHBondContact O-N 2.62Å; L870-S873 VanDerWaalsContact O-N 3.13Å; L871-S873 VanDerWaalsContact C-N 3.28Å; L871-S873 PolarHBondContact O-N 3.41Å; S873-L876 PolarHBondContact O-N 3.12Å; S873-L877 WeakPolarHBondContact O-CB 3.3Å; S873-L877 WeakPolarHBondContact O-CG 3.33Å; S873-L877 PolarHBondContact O-N 3.04Å; S873-W913 VanDerWaalsContact OG-CB 3.23Å; S873-W913 WeakPolarHBondContact OG-CB 3.21Å
874Q81.7Confident82Confident47 Ų4734.8 Ų34.822%0.2217%0.174CC..Hα-helixtrans-64.5-39.8174.8-68.7171.2-11.800111.5L870 L871 L877 S878 V1429 L1431L870-Q874 WeakPolarHBondContact O-CG 3.31Å; L870-Q874 PolarHBondContact O-N 2.98Å; L871-Q874 WeakPolarHBondContact O-CB 3.49Å; L871-Q874 PolarHBondContact O-N 3.11Å; Q874-L877 PolarHBondContact O-N 3.47Å; Q874-S878 VanDerWaalsContact O-CB 3.31Å; Q874-S878 WeakPolarHBondContact O-CB 3.33Å; Q874-S878 PolarHBondContact O-N 2.64Å; Q874-S878 PolarHBondContact O-OG 2.69Å; Q874-V1429 HydrophobicContact CG-CB 4.4Å; Q874-V1429 HydrophobicContact CG-CG2 4.24Å; Q874-V1429 PolarHBondContact NE2-O 2.94Å; Q874-L1431 HydrophobicContact CB-CD2 4.1Å; Q874-L1431 HydrophobicContact CG-CD2 4.12Å; Q874-L1431 HydrophobicContact CG-CG 4.41Å
875M80.6Confident81.1Confident14 Ų1433.6 Ų33.67%0.06917%0.166CC..Hα-helixtrans-63.3-42.4174.1-69.517480.900111.6V809 D813 F827 L831 L871 T872 S878 C879V809-M875 HydrophobicContact CG1-SD 4.36Å; D813-M875 HydrophobicContact CB-CE 4.25Å; F827-M875 HydrophobicContact CZ-CE 3.94Å; L831-M875 HydrophobicContact CD1-CB 4.18Å; L831-M875 HydrophobicContact CD2-CB 4.02Å; L831-M875 HydrophobicContact CD2-CE 4.39Å; L831-M875 HydrophobicContact CD2-SD 4.36Å; L871-M875 HydrophobicContact CD2-CG 4.4Å; L871-M875 HydrophobicContact CD2-SD 3.68Å; L871-M875 VanDerWaalsContact O-CG 3.31Å; L871-M875 WeakPolarHBondContact O-CG 3.38Å; L871-M875 PolarHBondContact O-N 3.25Å; T872-M875 PolarHBondContact O-N 3.37Å; M875-S878 WeakPolarHBondContact CA-OG 3.47Å; M875-S878 PolarHBondContact O-OG 3.49Å; M875-C879 WeakPolarHBondContact O-CB 3.06Å; M875-C879 PolarHBondContact O-N 3.09Å; M875-C879 VanDerWaalsContact O-N 3.08Å; M875-C879 PolarHBondContact O-SG 3.21Å; M875-C879 VanDerWaalsContact O-SG 3.38Å
876L79.6Confident79.9Confident2 Ų236.5 Ų36.51%0.0118%0.177CC..Hα-helixtrans-61.9-47176.8-174.473.2000111.2R828 L831 W832 L835 T872 S873 C879 Y880R828-L876 HydrophobicContact CG-CD1 4.08Å; L831-L876 HydrophobicContact CB-CD1 4.19Å; L831-L876 HydrophobicContact CD1-CB 4.22Å; L831-L876 HydrophobicContact CD1-CD1 4.19Å; W832-L876 HydrophobicContact CD2-CD2 4.35Å; W832-L876 HydrophobicContact CH2-CD2 4.35Å; W832-L876 HydrophobicContact CZ2-CD2 3.75Å; L835-L876 HydrophobicContact CD1-CD2 4.22Å; T872-L876 WeakPolarHBondContact O-CB 3.4Å; T872-L876 PolarHBondContact O-N 3.4Å; S873-L876 PolarHBondContact O-N 3.12Å; L876-C879 PolarHBondContact O-N 2.77Å; L876-Y880 HydrophobicContact CD1-CD2 3.98Å; L876-Y880 PolarHBondContact O-N 3.07Å
877L78.3Confident78.7Confident11 Ų1141.3 Ų41.36%0.05820%0.2CC..Hα-helixtrans-65.7-48179.8-79.5167.6000112.3S873 Q874 C879 T881 W886 W1421 I1424 V1429 L1431S873-L877 WeakPolarHBondContact O-CB 3.3Å; S873-L877 WeakPolarHBondContact O-CG 3.33Å; S873-L877 PolarHBondContact O-N 3.04Å; Q874-L877 PolarHBondContact O-N 3.47Å; L877-C879 VanDerWaalsContact C-N 3.28Å; L877-C879 PolarHBondContact O-N 2.75Å; L877-T881 WeakPolarHBondContact CA-OG1 3.31Å; L877-T881 VanDerWaalsContact CD2-OG1 3.29Å; L877-T881 WeakPolarHBondContact CD2-OG1 3.42Å; L877-T881 WeakPolarHBondContact O-CB 3.1Å; L877-T881 PolarHBondContact O-N 3.38Å; L877-T881 PolarHBondContact O-OG1 3.46Å; L877-W886 WeakPolarHBondContact O-CZ2 3.48Å; L877-W1421 HydrophobicContact CD2-CZ3 4.36Å; L877-I1424 HydrophobicContact CD1-CG2 4.3Å; L877-I1424 HydrophobicContact CD2-CG2 3.66Å; L877-I1424 HydrophobicContact CG-CG2 4.29Å; L877-V1429 HydrophobicContact CD1-CB 4.43Å; L877-V1429 HydrophobicContact CD1-CG1 4.23Å; L877-V1429 HydrophobicContact CD1-CG2 3.45Å; L877-V1429 VanDerWaalsContact CD1-CG2 3.45Å; L877-L1431 HydrophobicContact CB-CD1 4.43Å; L877-L1431 HydrophobicContact CD1-CD1 4.45Å
878S75.3Confident77.4Confident55 Ų5542.6 Ų42.639%0.38520%0.2SC..Hα-helixtrans-58.8-37.5177.556.70000112.8Q874 M875Q874-S878 VanDerWaalsContact O-CB 3.31Å; Q874-S878 WeakPolarHBondContact O-CB 3.33Å; Q874-S878 PolarHBondContact O-N 2.64Å; Q874-S878 PolarHBondContact O-OG 2.69Å; M875-S878 WeakPolarHBondContact CA-OG 3.47Å; M875-S878 PolarHBondContact O-OG 3.49Å
879C75.5Confident76Confident16 Ų1643 Ų4311%0.10820%0.202CC..Hα-helixtrans-85.8-37.3-176.2-70.70000114.7K816 F823 M875 L876 L877K816-C879 PolarHBondContact NZ-SG 3.17Å; F823-C879 HydrophobicContact CD1-CB 4.01Å; F823-C879 VanDerWaalsContact CD1-O 3.27Å; F823-C879 WeakPolarHBondContact CD1-O 3.32Å; F823-C879 HydrophobicContact CE1-CB 3.89Å; F823-C879 WeakPolarHBondContact CE1-O 3.35Å; M875-C879 WeakPolarHBondContact O-CB 3.06Å; M875-C879 PolarHBondContact O-N 3.09Å; M875-C879 VanDerWaalsContact O-N 3.08Å; M875-C879 PolarHBondContact O-SG 3.21Å; M875-C879 VanDerWaalsContact O-SG 3.38Å; L876-C879 PolarHBondContact O-N 2.77Å; L877-C879 VanDerWaalsContact C-N 3.28Å; L877-C879 PolarHBondContact O-N 2.75Å
880Y76.7Confident74.6Confident40 Ų4047.3 Ų47.316%0.15722%0.222CC..Hα-helixtrans-119.4-8.4-164.1-65.1-75.3000115.4F823 S824 F827 R828 L831 L876 P882F823-Y880 HydrophobicContact CB-CE1 3.97Å; F823-Y880 HydrophobicContact CD1-CE1 4.36Å; S824-Y880 PolarHBondContact O-OH 2.75Å; F827-Y880 AromaticContact CD1-CE2 3.97Å; F827-Y880 HydrophobicContact CD1-CE2 3.97Å; F827-Y880 WeakPolarHBondContact CD1-OH 3.42Å; R828-Y880 HydrophobicContact CB-CD1 4.38Å; R828-Y880 HydrophobicContact CB-CD2 4.22Å; R828-Y880 HydrophobicContact CB-CE1 3.84Å; R828-Y880 HydrophobicContact CB-CE2 3.64Å; R828-Y880 VanDerWaalsContact CB-CZ 3.44Å; R828-Y880 HydrophobicContact CG-CD1 4.31Å; R828-Y880 HydrophobicContact CG-CD2 4.02Å; R828-Y880 HydrophobicContact CG-CE1 4.26Å; R828-Y880 HydrophobicContact CG-CE2 3.96Å; R828-Y880 HydrophobicContact CG-CG 4.19Å; R828-Y880 PolarHBondContact N-OH 3.46Å; L831-Y880 HydrophobicContact CD1-CE2 4.26Å; L876-Y880 HydrophobicContact CD1-CD2 3.98Å; L876-Y880 PolarHBondContact O-N 3.07Å; Y880-P882 WeakPolarHBondContact O-CD 3.33Å
881T74.3Confident72.9Confident12 Ų1253.9 Ų53.97%0.07425%0.252CS..SBendtrans-63.1128.9179.3-560000109.8L877 L885 W886L877-T881 WeakPolarHBondContact CA-OG1 3.31Å; L877-T881 VanDerWaalsContact CD2-OG1 3.29Å; L877-T881 WeakPolarHBondContact CD2-OG1 3.42Å; L877-T881 WeakPolarHBondContact O-CB 3.1Å; L877-T881 PolarHBondContact O-N 3.38Å; L877-T881 PolarHBondContact O-OG1 3.46Å; T881-L885 HydrophobicContact CG2-CB 3.76Å; T881-L885 HydrophobicContact CG2-CD1 4.42Å; T881-W886 HydrophobicContact CG2-CG 4.47Å
882P74.7Confident71.2Confident40 Ų4058 Ų5826%0.2627%0.267SS..  trans-53.5138.7177.2-28.333.3000112.9Y880 H884 L885 W886 W1421Y880-P882 WeakPolarHBondContact O-CD 3.33Å; P882-H884 VanDerWaalsContact C-N 3.28Å; P882-H884 VanDerWaalsContact CB-CE1 3.45Å; P882-H884 WeakPolarHBondContact CB-CE1 3.45Å; P882-H884 WeakPolarHBondContact CB-ND1 3.45Å; P882-H884 PolarHBondContact O-N 3.33Å; P882-H884 VanDerWaalsContact O-N 3.16Å; P882-L885 HydrophobicContact CB-CG 4.44Å; P882-L885 HydrophobicContact CG-CD1 4.27Å; P882-L885 WeakPolarHBondContact O-CA 3.01Å; P882-L885 WeakPolarHBondContact O-CB 3.07Å; P882-L885 PolarHBondContact O-N 3Å; P882-W886 PolarHBondContact O-N 3.43Å; P882-W886 VanDerWaalsContact O-N 3.11Å; P882-W1421 HydrophobicContact CG-CG 4.16Å
883R70.8Confident69.2Low207 Ų20758.1 Ų58.178%0.78127%0.268SS*.Hα-helixtrans-52.6-41-177.5-76-171.6-175.8175.71.4114L885 W886 E887R883-L885 PolarHBondContact O-N 2.82Å; R883-W886 CarbonylContact O-C 3.56Å; R883-W886 WeakPolarHBondContact O-CA 3.37Å; R883-W886 WeakPolarHBondContact O-CB 3.21Å; R883-W886 PolarHBondContact O-N 3.08Å; R883-W886 VanDerWaalsContact O-N 3.08Å; R883-E887 WeakPolarHBondContact O-CB 3.44Å; R883-E887 WeakPolarHBondContact O-CG 3.4Å; R883-E887 PolarHBondContact O-N 2.86Å
884H72.4Confident67.6Low98 Ų9858.9 Ų58.945%0.45427%0.271SS..Hα-helixtrans-64.1-25.3178.675.3-83.7000113.1P882 K888P882-H884 VanDerWaalsContact C-N 3.28Å; P882-H884 VanDerWaalsContact CB-CE1 3.45Å; P882-H884 WeakPolarHBondContact CB-CE1 3.45Å; P882-H884 WeakPolarHBondContact CB-ND1 3.45Å; P882-H884 PolarHBondContact O-N 3.33Å; P882-H884 VanDerWaalsContact O-N 3.16Å; H884-K888 WeakPolarHBondContact O-CB 3.45Å; H884-K888 VanDerWaalsContact O-CG 3.29Å; H884-K888 WeakPolarHBondContact O-CG 3.31Å; H884-K888 PolarHBondContact O-N 2.87Å
885L69.4Low66.3Low4 Ų460.7 Ų60.72%0.02128%0.277CS..Hα-helixtrans-81.9-34.4172.4-64.5-177.3000111.5T881 P882 R883 K888 L889 W1421 E1422 H1425T881-L885 HydrophobicContact CG2-CB 3.76Å; T881-L885 HydrophobicContact CG2-CD1 4.42Å; P882-L885 HydrophobicContact CB-CG 4.44Å; P882-L885 HydrophobicContact CG-CD1 4.27Å; P882-L885 WeakPolarHBondContact O-CA 3.01Å; P882-L885 WeakPolarHBondContact O-CB 3.07Å; P882-L885 PolarHBondContact O-N 3Å; R883-L885 PolarHBondContact O-N 2.82Å; L885-K888 HydrophobicContact CD2-CD 3.94Å; L885-K888 WeakPolarHBondContact O-CB 3.46Å; L885-K888 PolarHBondContact O-N 2.89Å; L885-L889 WeakPolarHBondContact O-CB 3.47Å; L885-L889 PolarHBondContact O-N 2.87Å; L885-W1421 HydrophobicContact CD1-CB 3.37Å; L885-W1421 HydrophobicContact CD1-CG 4.46Å; L885-E1422 HydrophobicContact CD2-CG 4.26Å; L885-H1425 PolarHBondContact O-CD2 3.08Å; L885-H1425 PolarHBondContact O-NE2 2.79Å
886W67.3Low65Low61 Ų6161.8 Ų61.823%0.23129%0.285CS..Hα-helixtrans-62.3-46.1168.4-88.7117.4000112.2L877 T881 P882 R883 K888 L889 H890 L1431L877-W886 WeakPolarHBondContact O-CZ2 3.48Å; T881-W886 HydrophobicContact CG2-CG 4.47Å; P882-W886 PolarHBondContact O-N 3.43Å; P882-W886 VanDerWaalsContact O-N 3.11Å; R883-W886 CarbonylContact O-C 3.56Å; R883-W886 WeakPolarHBondContact O-CA 3.37Å; R883-W886 WeakPolarHBondContact O-CB 3.21Å; R883-W886 PolarHBondContact O-N 3.08Å; R883-W886 VanDerWaalsContact O-N 3.08Å; W886-K888 VanDerWaalsContact C-N 3.33Å; W886-L889 HydrophobicContact CE3-CB 4.36Å; W886-L889 HydrophobicContact CE3-CD1 4.06Å; W886-L889 HydrophobicContact CZ3-CD1 4.2Å; W886-L889 CarbonylContact O-C 3.58Å; W886-L889 WeakPolarHBondContact O-CA 3.32Å; W886-L889 WeakPolarHBondContact O-CB 3.26Å; W886-L889 PolarHBondContact O-N 2.95Å; W886-H890 AromaticContact CE3-NE2 3.73Å; W886-H890 AromaticContact CZ3-NE2 3.97Å; W886-H890 PolarHBondContact O-CD2 3.43Å; W886-H890 VanDerWaalsContact O-CD2 3.26Å; W886-H890 PolarHBondContact O-N 3.33Å; W886-L1431 HydrophobicContact CH2-CD1 4.03Å
887E66.6Low63.7Low102 Ų10265 Ų6548%0.47730%0.3SS..Hα-helixtrans-64.5-37.5174-72167.5-169.500110.8R883 H890 E891R883-E887 WeakPolarHBondContact O-CB 3.44Å; R883-E887 WeakPolarHBondContact O-CG 3.4Å; R883-E887 PolarHBondContact O-N 2.86Å; E887-H890 PolarHBondContact O-N 3.49Å; E887-E891 WeakPolarHBondContact O-CA 3.49Å; E887-E891 VanDerWaalsContact O-CB 3.31Å; E887-E891 WeakPolarHBondContact O-CB 3.43Å; E887-E891 PolarHBondContact O-N 2.94Å
888K61.8Low62.4Low85 Ų8568.7 Ų68.737%0.3732%0.319SS..Iπ-helixtrans-57.8-51166.7-80.9178.9-168171.90109.4H884 L885 W886 H890 K892 G893 E1422H884-K888 WeakPolarHBondContact O-CB 3.45Å; H884-K888 VanDerWaalsContact O-CG 3.29Å; H884-K888 WeakPolarHBondContact O-CG 3.31Å; H884-K888 PolarHBondContact O-N 2.87Å; L885-K888 HydrophobicContact CD2-CD 3.94Å; L885-K888 WeakPolarHBondContact O-CB 3.46Å; L885-K888 PolarHBondContact O-N 2.89Å; W886-K888 VanDerWaalsContact C-N 3.33Å; K888-H890 VanDerWaalsContact C-N 3.26Å; K888-H890 PolarHBondContact O-N 3.16Å; K888-K892 CarbonylContact O-C 3.58Å; K888-K892 VanDerWaalsContact O-C 3.24Å; K888-K892 PolarHBondContact O-N 3.36Å; K888-K892 VanDerWaalsContact O-N 3.14Å; K888-G893 WeakPolarHBondContact O-CA 3.38Å; K888-G893 PolarHBondContact O-N 3.47Å; K888-E1422 IonicContact NZ-OE1 2.68Å; K888-E1422 PolarHBondContact NZ-OE1 2.94Å
889L59.3Low61.4Low19 Ų1970.1 Ų70.110%0.09934%0.335CS..Iπ-helixtrans-50.7-39.4177.5-107.7145.7000113.8L885 W886 G893 F894 H1425L885-L889 WeakPolarHBondContact O-CB 3.47Å; L885-L889 PolarHBondContact O-N 2.87Å; W886-L889 HydrophobicContact CE3-CB 4.36Å; W886-L889 HydrophobicContact CE3-CD1 4.06Å; W886-L889 HydrophobicContact CZ3-CD1 4.2Å; W886-L889 CarbonylContact O-C 3.58Å; W886-L889 WeakPolarHBondContact O-CA 3.32Å; W886-L889 WeakPolarHBondContact O-CB 3.26Å; W886-L889 PolarHBondContact O-N 2.95Å; L889-G893 CarbonylContact O-C 3.57Å; L889-F894 HydrophobicContact CD2-CB 3.4Å; L889-F894 VanDerWaalsContact CD2-CB 3.4Å; L889-F894 HydrophobicContact CD2-CD1 4.45Å; L889-F894 HydrophobicContact CD2-CD2 4.28Å; L889-F894 HydrophobicContact CD2-CG 3.83Å; L889-F894 HydrophobicContact CG-CB 4.21Å; L889-H1425 WeakPolarHBondContact CG-NE2 3.47Å
890H59.2Low60.4Low90 Ų9076.9 Ų76.942%0.41737%0.365SS..Iπ-helixtrans-96.6-48.1-177.6-70.6-81.5000114.9W886 E887 K888 E1433W886-H890 AromaticContact CE3-NE2 3.73Å; W886-H890 AromaticContact CZ3-NE2 3.97Å; W886-H890 PolarHBondContact O-CD2 3.43Å; W886-H890 VanDerWaalsContact O-CD2 3.26Å; W886-H890 PolarHBondContact O-N 3.33Å; E887-H890 PolarHBondContact O-N 3.49Å; K888-H890 VanDerWaalsContact C-N 3.26Å; K888-H890 PolarHBondContact O-N 3.16Å; H890-E1433 IonicContact CE1-OE1 2.71Å; H890-E1433 IonicContact ND1-OE1 3.93Å; H890-E1433 PolarHBondContact ND1-OE1 3.46Å
891E51.9Low59.1Low153 Ų15378.9 Ų78.972%0.71538%0.378SS*.Iπ-helixtrans-90.6-26.3-171.7-62-168.9161.300114.4E887E887-E891 WeakPolarHBondContact O-CA 3.49Å; E887-E891 VanDerWaalsContact O-CB 3.31Å; E887-E891 WeakPolarHBondContact O-CB 3.43Å; E887-E891 PolarHBondContact O-N 2.94Å
892K50.1Low58.1Low163 Ų16384.6 Ų84.671%0.70941%0.413SS*.Iπ-helixtrans-13913-176.9-69.1-173.1179.2176.20115.2K888 S896 Q897K888-K892 CarbonylContact O-C 3.58Å; K888-K892 VanDerWaalsContact O-C 3.24Å; K888-K892 PolarHBondContact O-N 3.36Å; K888-K892 VanDerWaalsContact O-N 3.14Å; K892-S896 VanDerWaalsContact C-OG 3.25Å; K892-Q897 PolarHBondContact O-NE2 3.3Å
893G44.2Very low56.9Low1 Ų189.9 Ų89.91%0.0144%0.439CS..SBendtrans-155-174.1-161.800000112.9K888 L889 Y895 S896K888-G893 WeakPolarHBondContact O-CA 3.38Å; K888-G893 PolarHBondContact O-N 3.47Å; L889-G893 CarbonylContact O-C 3.57Å; G893-Y895 PolarHBondContact O-N 3.43Å; G893-S896 PolarHBondContact N-OG 3Å; G893-S896 PolarHBondContact O-N 2.7Å; G893-S896 PolarHBondContact O-OG 3.18Å
894F49.6Very low56Low17 Ų1787.2 Ų87.28%0.07543%0.433CS..THydrogen-bonded Turntrans20.2-72.1-166.7-149.4-97.9000116.8L889 Q897 I898 F906 N1428L889-F894 HydrophobicContact CD2-CB 3.4Å; L889-F894 VanDerWaalsContact CD2-CB 3.4Å; L889-F894 HydrophobicContact CD2-CD1 4.45Å; L889-F894 HydrophobicContact CD2-CD2 4.28Å; L889-F894 HydrophobicContact CD2-CG 3.83Å; L889-F894 HydrophobicContact CG-CB 4.21Å; F894-Q897 PolarHBondContact O-N 3.34Å; F894-I898 HydrophobicContact CD1-CD1 3.93Å; F894-I898 HydrophobicContact CE1-CD1 3.92Å; F894-I898 WeakPolarHBondContact O-CB 3.48Å; F894-I898 WeakPolarHBondContact O-CD1 3.22Å; F894-I898 WeakPolarHBondContact O-CG1 3.39Å; F894-I898 PolarHBondContact O-N 2.97Å; F894-F906 HydrophobicContact CD2-CD1 4.38Å; F894-F906 HydrophobicContact CD2-CE1 4.11Å; F894-F906 AromaticContact CE2-CD1 3.77Å; F894-F906 HydrophobicContact CE2-CD1 3.77Å; F894-F906 AromaticContact CE2-CE1 3.89Å; F894-F906 HydrophobicContact CE2-CE1 3.89Å; F894-F906 HydrophobicContact CZ-CD1 4.29Å; F894-N1428 HydrophobicContact CE2-CB 4.25Å; F894-N1428 HydrophobicContact CZ-CB 3.84Å
895Y54.8Low55Low85 Ų8586.9 Ų86.933%0.33344%0.438SS..Hα-helixtrans-68.3-35.4178.7-62.1-67.1000113.9G893 A899 L1431 E1433G893-Y895 PolarHBondContact O-N 3.43Å; Y895-A899 PolarHBondContact O-N 3.4Å; Y895-L1431 PolarHBondContact OH-O 3.46Å; Y895-E1433 HydrophobicContact CE2-CG 4.01Å; Y895-E1433 PolarHBondContact OH-N 3.41Å
896S52.9Low54.5Low36 Ų3689 Ų8925%0.25245%0.447SS..Hα-helixtrans-74.5-37.1175.4610000112.3K892 G893 A899 E900K892-S896 VanDerWaalsContact C-OG 3.25Å; G893-S896 PolarHBondContact N-OG 3Å; G893-S896 PolarHBondContact O-N 2.7Å; G893-S896 PolarHBondContact O-OG 3.18Å; S896-A899 WeakPolarHBondContact O-CB 3.4Å; S896-A899 PolarHBondContact O-N 3.27Å; S896-A899 VanDerWaalsContact O-N 3.11Å; S896-E900 PolarHBondContact O-N 2.89Å
897Q51.7Low54.5Low70 Ų7088.4 Ų88.433%0.32745%0.448SS..Hα-helixtrans-72-30.7176.6-73-177.814.200112.7K892 F894 A899 E900 N901K892-Q897 PolarHBondContact O-NE2 3.3Å; F894-Q897 PolarHBondContact O-N 3.34Å; Q897-A899 PolarHBondContact O-N 3.39Å; Q897-E900 PolarHBondContact O-N 2.89Å; Q897-N901 WeakPolarHBondContact O-CB 3.43Å; Q897-N901 PolarHBondContact O-N 2.79Å
898I51.3Low54.7Low89 Ų8988.3 Ų88.346%0.45645%0.447SS..Hα-helixtrans-62.3-33168.6-71.2163000110.7F894 F906F894-I898 HydrophobicContact CD1-CD1 3.93Å; F894-I898 HydrophobicContact CE1-CD1 3.92Å; F894-I898 WeakPolarHBondContact O-CB 3.48Å; F894-I898 WeakPolarHBondContact O-CD1 3.22Å; F894-I898 WeakPolarHBondContact O-CG1 3.39Å; F894-I898 PolarHBondContact O-N 2.97Å; I898-F906 HydrophobicContact CG1-CD2 4.09Å; I898-F906 HydrophobicContact CG1-CG 4.4Å
899A55Low55.5Low85 Ų8584.7 Ų84.770%0.70243%0.432SS*.Hα-helixtrans-77.5-34.4175.900000113.3Y895 S896 Q897Y895-A899 PolarHBondContact O-N 3.4Å; S896-A899 WeakPolarHBondContact O-CB 3.4Å; S896-A899 PolarHBondContact O-N 3.27Å; S896-A899 VanDerWaalsContact O-N 3.11Å; Q897-A899 PolarHBondContact O-N 3.39Å
900E54.5Low56.5Low158 Ų15885.9 Ų85.974%0.73844%0.438SS*.Hα-helixtrans-100.1-36.1-172.1-68.9-175.9173.900115.2S896 Q897 T902S896-E900 PolarHBondContact O-N 2.89Å; Q897-E900 PolarHBondContact O-N 2.89Å; E900-T902 PolarHBondContact O-N 3.36Å
901N49.3Very low57.7Low81 Ų8181.6 Ų81.643%0.43342%0.418SS..  trans-95.687.7-176.3-87.9-28.7000111.5Q897 N903Q897-N901 WeakPolarHBondContact O-CB 3.43Å; Q897-N901 PolarHBondContact O-N 2.79Å; N901-N903 PolarHBondContact O-N 3.23Å; N901-N903 VanDerWaalsContact O-N 3.08Å
902T52.5Low59.2Low132 Ų13274.3 Ų74.381%0.8138%0.384SS*.THydrogen-bonded Turntrans-62.4-12.9172.249.90000114.4E900E900-T902 PolarHBondContact O-N 3.36Å
903N51.3Low60.9Low151 Ų15166.5 Ų66.581%0.80735%0.351SS*.THydrogen-bonded Turntrans-97.9-10.4-170.6-69.8-10.7000115.6N901N901-N903 PolarHBondContact O-N 3.23Å; N901-N903 VanDerWaalsContact O-N 3.08Å
904K50.6Low62.8Low152 Ų15266.5 Ų66.566%0.66135%0.35SS*.SBendtrans-114.1110174.8-77.3-170.2175.5-172.70109.7F906K904-F906 HydrophobicContact CB-CE2 4.42Å; K904-F906 PolarHBondContact O-N 3.46Å
905T52.4Low64.2Low91 Ų9165.9 Ų65.956%0.55835%0.348SS*.  trans-71.3114.8172.849.50000109.4D907T905-D907 VanDerWaalsContact C-N 3.27Å; T905-D907 PolarHBondContact O-N 3.02Å; T905-D907 VanDerWaalsContact O-N 3.15Å
906F59.1Low65.2Low47 Ų4762.4 Ų62.421%0.20634%0.335CS..  trans-8666.2175.3-83.3-89.4000110.6F894 I898 K904 F908 N1428F894-F906 HydrophobicContact CD2-CD1 4.38Å; F894-F906 HydrophobicContact CD2-CE1 4.11Å; F894-F906 AromaticContact CE2-CD1 3.77Å; F894-F906 HydrophobicContact CE2-CD1 3.77Å; F894-F906 AromaticContact CE2-CE1 3.89Å; F894-F906 HydrophobicContact CE2-CE1 3.89Å; F894-F906 HydrophobicContact CZ-CD1 4.29Å; I898-F906 HydrophobicContact CG1-CD2 4.09Å; I898-F906 HydrophobicContact CG1-CG 4.4Å; K904-F906 HydrophobicContact CB-CE2 4.42Å; K904-F906 PolarHBondContact O-N 3.46Å; F906-F908 PolarHBondContact O-N 3.34Å; F906-N1428 PolarHBondContact O-ND2 3.19Å
907D65.3Low66.2Low49 Ų4961.7 Ų61.726%0.26233%0.329SS..  trans-66.6117.2-175.9-69.8-9.9000110.7T905 N912 H928 K931T905-D907 VanDerWaalsContact C-N 3.27Å; T905-D907 PolarHBondContact O-N 3.02Å; T905-D907 VanDerWaalsContact O-N 3.15Å; D907-N912 PolarHBondContact O-ND2 3.42Å; D907-N912 VanDerWaalsContact O-ND2 3.17Å; D907-H928 IonicContact OD2-NE2 2.79Å; D907-K931 IonicContact OD2-NZ 3.94Å; D907-K931 PolarHBondContact OD2-NZ 3.01Å
908F72.2Confident67.2Low101 Ų10158.9 Ų58.944%0.44332%0.316SS..  trans-81.1133.4170.5173-101.4000110L870 F906L870-F908 HydrophobicContact CD1-CE2 4.29Å; L870-F908 HydrophobicContact CD2-CE2 3.85Å; L870-F908 HydrophobicContact CD2-CZ 3.62Å; F906-F908 PolarHBondContact O-N 3.34Å
909S78.2Confident68Low9 Ų957 Ų576%0.06331%0.311CS..  trans-145.3154.5170.692.60000112.6S911 N912S909-S911 PolarHBondContact O-N 3.04Å; S909-S911 VanDerWaalsContact O-N 3.17Å; S909-S911 PolarHBondContact OG-N 3.13Å; S909-S911 PolarHBondContact OG-OG 3.1Å; S909-N912 WeakPolarHBondContact CB-OD1 3.43Å; S909-N912 PolarHBondContact N-ND2 3.01Å; S909-N912 VanDerWaalsContact N-ND2 3.16Å; S909-N912 WeakPolarHBondContact O-CB 3.33Å; S909-N912 VanDerWaalsContact O-CG 3.28Å; S909-N912 PolarHBondContact O-N 3.33Å; S909-N912 VanDerWaalsContact O-N 3.13Å; S909-N912 PolarHBondContact OG-OD1 3.26Å
910L80.7Confident68.7Low43 Ų4356.2 Ų56.223%0.22530%0.295CS..THydrogen-bonded Turntrans-62.5-18.1177-70.7177.3000113.4L858 H866 T867 W913L858-L910 HydrophobicContact CD1-CD1 4.06Å; H866-L910 HydrophobicContact CB-CB 4.11Å; H866-L910 PolarHBondContact ND1-O 3.43Å; T867-L910 HydrophobicContact CG2-CD2 4.46Å; L910-W913 PolarHBondContact O-NE1 3.46Å; L910-W913 VanDerWaalsContact O-NE1 3.17Å
911S83.8Confident69.4Low0 Ų048.8 Ų48.80%026%0.26CS..THydrogen-bonded Turntrans-94.5-0.2177.849.90000114L853 S909 W913 L914L853-S911 WeakPolarHBondContact O-CB 3.11Å; L853-S911 PolarHBondContact O-OG 2.89Å; S909-S911 PolarHBondContact O-N 3.04Å; S909-S911 VanDerWaalsContact O-N 3.17Å; S909-S911 PolarHBondContact OG-N 3.13Å; S909-S911 PolarHBondContact OG-OG 3.1Å; S911-W913 PolarHBondContact O-N 3.23Å; S911-L914 VanDerWaalsContact O-CB 3.3Å; S911-L914 WeakPolarHBondContact O-CB 3.41Å; S911-L914 PolarHBondContact O-N 2.9Å
912N83Confident70.5Confident0 Ų045 Ų450%024%0.239CC..THydrogen-bonded Turntrans-59.2-26.4-176.2-73.66.6000113.2D907 S909 L914 A915 I925 I1427 N1428D907-N912 PolarHBondContact O-ND2 3.42Å; D907-N912 VanDerWaalsContact O-ND2 3.17Å; S909-N912 WeakPolarHBondContact CB-OD1 3.43Å; S909-N912 PolarHBondContact N-ND2 3.01Å; S909-N912 VanDerWaalsContact N-ND2 3.16Å; S909-N912 WeakPolarHBondContact O-CB 3.33Å; S909-N912 VanDerWaalsContact O-CG 3.28Å; S909-N912 PolarHBondContact O-N 3.33Å; S909-N912 VanDerWaalsContact O-N 3.13Å; S909-N912 PolarHBondContact OG-OD1 3.26Å; N912-L914 PolarHBondContact O-N 3.4Å; N912-A915 PolarHBondContact O-N 3.17Å; N912-I925 WeakPolarHBondContact OD1-CG2 3.16Å; N912-I1427 HydrophobicContact CB-CG2 3.92Å; N912-N1428 PolarHBondContact ND2-O 3.04Å
913W85.5Confident71.2Confident0 Ų041.1 Ų41.10%021%0.212CC..THydrogen-bonded Turntrans-65.6-23.9174.668.1-94.1000113.7L835 A838 K839 L842 H866 S873 L910 S911 A915 I916 I917L835-W913 HydrophobicContact CD2-CE3 4.16Å; A838-W913 HydrophobicContact CB-CH2 3.91Å; A838-W913 HydrophobicContact CB-CZ3 4.17Å; K839-W913 HydrophobicContact CB-CH2 4.27Å; K839-W913 HydrophobicContact CB-CZ3 4.14Å; L842-W913 HydrophobicContact CD2-CH2 4.35Å; L842-W913 HydrophobicContact CD2-CZ2 3.97Å; H866-W913 AromaticContact ND1-NE1 3.34Å; H866-W913 PolarHBondContact ND1-NE1 3.11Å; S873-W913 VanDerWaalsContact OG-CB 3.23Å; S873-W913 WeakPolarHBondContact OG-CB 3.21Å; L910-W913 PolarHBondContact O-NE1 3.46Å; L910-W913 VanDerWaalsContact O-NE1 3.17Å; S911-W913 PolarHBondContact O-N 3.23Å; W913-A915 VanDerWaalsContact C-N 3.27Å; W913-A915 PolarHBondContact O-N 3.11Å; W913-I916 WeakPolarHBondContact O-CB 3.37Å; W913-I916 PolarHBondContact O-N 3.24Å; W913-I916 VanDerWaalsContact O-N 3.1Å; W913-I917 HydrophobicContact CE3-CG2 4.33Å; W913-I917 HydrophobicContact CZ3-CG2 4.19Å; W913-I917 PolarHBondContact O-N 3.44Å
914L84.4Confident72Confident0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-64.8-32178.3-68.7173.9000112.4L842 V852 S911 N912 I916 I917 D918 F922 P926L842-L914 HydrophobicContact CD2-CD1 4.03Å; L842-L914 HydrophobicContact CD2-CD2 4.01Å; V852-L914 HydrophobicContact CG1-CD1 4.22Å; V852-L914 WeakPolarHBondContact O-CD1 3.25Å; S911-L914 VanDerWaalsContact O-CB 3.3Å; S911-L914 WeakPolarHBondContact O-CB 3.41Å; S911-L914 PolarHBondContact O-N 2.9Å; N912-L914 PolarHBondContact O-N 3.4Å; L914-I916 PolarHBondContact O-N 3.42Å; L914-I917 PolarHBondContact O-N 3.19Å; L914-D918 PolarHBondContact O-N 3.22Å; L914-F922 HydrophobicContact CB-CD2 3.81Å; L914-F922 HydrophobicContact CB-CE2 3.83Å; L914-F922 HydrophobicContact CD1-CE2 4.09Å; L914-F922 HydrophobicContact CD1-CZ 4.46Å; L914-F922 HydrophobicContact CG-CE2 4.49Å; L914-P926 HydrophobicContact CB-CG 4.3Å
915A79.6Confident73.1Confident4 Ų429.5 Ų29.53%0.03316%0.157CC..Hα-helixtrans-68.7-19.417600000113.4N912 W913 F922 I1427N912-A915 PolarHBondContact O-N 3.17Å; W913-A915 VanDerWaalsContact C-N 3.27Å; W913-A915 PolarHBondContact O-N 3.11Å; A915-F922 HydrophobicContact CB-CB 4.08Å; A915-I1427 HydrophobicContact CB-CD1 3.81Å
916I76Confident74.2Confident13 Ų1325.1 Ų25.17%0.06713%0.131CC..Hα-helixtrans-79.4-42.3176.9-56.1179.4000110.1W832 W913 L914 I1424 I1427 V1429W832-I916 HydrophobicContact CH2-CG2 3.87Å; W832-I916 HydrophobicContact CZ3-CG2 4.31Å; W913-I916 WeakPolarHBondContact O-CB 3.37Å; W913-I916 PolarHBondContact O-N 3.24Å; W913-I916 VanDerWaalsContact O-N 3.1Å; L914-I916 PolarHBondContact O-N 3.42Å; I916-I1424 HydrophobicContact CD1-CG2 4.01Å; I916-I1424 HydrophobicContact CG1-CG2 4.1Å; I916-I1424 HydrophobicContact CG2-CD1 4.14Å; I916-I1424 HydrophobicContact CG2-CG2 4.39Å; I916-I1427 HydrophobicContact CG1-CD1 4.07Å; I916-V1429 HydrophobicContact CD1-CG1 3.93Å
917I73.6Confident75Confident21 Ų2124.8 Ų24.811%0.10813%0.13CC..Hα-helixtrans-87.9-38.3-174.8-160.7174.3000113.9W832 L835 K839 W913 L914W832-I917 HydrophobicContact CZ3-CG1 4.4Å; L835-I917 HydrophobicContact CB-CD1 3.8Å; L835-I917 VanDerWaalsContact O-CD1 3.22Å; L835-I917 WeakPolarHBondContact O-CD1 3.35Å; K839-I917 HydrophobicContact CB-CD1 4.11Å; K839-I917 HydrophobicContact CB-CG2 4.39Å; K839-I917 HydrophobicContact CD-CD1 4.45Å; K839-I917 HydrophobicContact CD-CG2 4.05Å; W913-I917 HydrophobicContact CE3-CG2 4.33Å; W913-I917 HydrophobicContact CZ3-CG2 4.19Å; W913-I917 PolarHBondContact O-N 3.44Å; L914-I917 PolarHBondContact O-N 3.19Å
918D73.5Confident75.3Confident10 Ų1023.8 Ų23.85%0.05312%0.124CC..  trans-116.668.4-177.4-163.7-17000110.2K839 L914 N920 L921 F922K839-D918 IonicContact NZ-OD2 3.33Å; K839-D918 PolarHBondContact NZ-OD2 3.14Å; L914-D918 PolarHBondContact O-N 3.22Å; D918-N920 PolarHBondContact O-N 2.96Å; D918-N920 VanDerWaalsContact O-N 3.17Å; D918-N920 PolarHBondContact OD1-N 3.47Å; D918-L921 HydrophobicContact CB-CB 4.23Å; D918-L921 PolarHBondContact O-N 3.44Å; D918-L921 VanDerWaalsContact OD1-CB 3.32Å; D918-L921 WeakPolarHBondContact OD1-CB 3.37Å; D918-L921 PolarHBondContact OD1-N 2.93Å; D918-L921 WeakPolarHBondContact OD2-CB 3.46Å; D918-F922 HydrophobicContact CB-CD2 4.42Å; D918-F922 PolarHBondContact O-N 3.43Å
919S68Low75.2Confident51 Ų5119.8 Ų19.836%0.35711%0.107SC..THydrogen-bonded Turntrans-65.3-15.8179.373.40000113.5H923S919-H923 PolarHBondContact O-CE1 2.71Å; S919-H923 PolarHBondContact O-ND1 3.38Å
920N68.2Low75Confident68 Ų6820.8 Ų20.836%0.36411%0.11SC..THydrogen-bonded Turntrans-79.5-37.7177.2-71.6-22.9000112D918 H923 D1414D918-N920 PolarHBondContact O-N 2.96Å; D918-N920 VanDerWaalsContact O-N 3.17Å; D918-N920 PolarHBondContact OD1-N 3.47Å; N920-H923 PolarHBondContact O-CE1 3.47Å; N920-D1414 PolarHBondContact ND2-OD2 2.92Å
921L69.3Low74.6Confident2 Ų225 Ų251%0.0113%0.127CC..THydrogen-bonded Turntrans-82-48.4174.4-171.566.8000111.1Y843 D918 E940 E944 R1385Y843-L921 VanDerWaalsContact OH-CD2 3.22Å; Y843-L921 WeakPolarHBondContact OH-CD2 3.41Å; D918-L921 HydrophobicContact CB-CB 4.23Å; D918-L921 PolarHBondContact O-N 3.44Å; D918-L921 VanDerWaalsContact OD1-CB 3.32Å; D918-L921 WeakPolarHBondContact OD1-CB 3.37Å; D918-L921 PolarHBondContact OD1-N 2.93Å; D918-L921 WeakPolarHBondContact OD2-CB 3.46Å; L921-E940 HydrophobicContact CD1-CB 3.51Å; L921-E940 HydrophobicContact CD1-CG 4.43Å; L921-E940 WeakPolarHBondContact CD1-OE2 3.33Å; L921-E944 HydrophobicContact CD2-CG 4.37Å; L921-R1385 PolarHBondContact O-NH2 3.45Å
922F73.7Confident74.1Confident0 Ų030.7 Ų30.70%015%0.153CC..  trans-113.393.8-174.8-59.7-66.1000111L914 A915 D918 D924 P926 T937 I941L914-F922 HydrophobicContact CB-CD2 3.81Å; L914-F922 HydrophobicContact CB-CE2 3.83Å; L914-F922 HydrophobicContact CD1-CE2 4.09Å; L914-F922 HydrophobicContact CD1-CZ 4.46Å; L914-F922 HydrophobicContact CG-CE2 4.49Å; A915-F922 HydrophobicContact CB-CB 4.08Å; D918-F922 HydrophobicContact CB-CD2 4.42Å; D918-F922 PolarHBondContact O-N 3.43Å; F922-D924 PolarHBondContact O-N 2.85Å; F922-P926 HydrophobicContact CD1-CB 3.84Å; F922-P926 HydrophobicContact CD1-CG 3.79Å; F922-P926 HydrophobicContact CD2-CG 4.42Å; F922-P926 HydrophobicContact CE1-CB 3.78Å; F922-P926 HydrophobicContact CE1-CG 4.05Å; F922-P926 HydrophobicContact CG-CG 3.99Å; F922-P926 HydrophobicContact CZ-CB 4.43Å; F922-P926 HydrophobicContact CZ-CG 4.46Å; F922-T937 HydrophobicContact CE1-CG2 4.11Å; F922-I941 HydrophobicContact CE1-CD1 4.1Å; F922-I941 HydrophobicContact CE1-CG1 4.46Å; F922-I941 HydrophobicContact CZ-CD1 3.98Å; F922-I941 HydrophobicContact CZ-CG1 4.09Å
923H66.2Low73.7Confident52 Ų5236.1 Ų36.124%0.24118%0.175CC..SBendtrans-73.2-20.1177.2-68.561.1000113.3S919 N920 F929 R1385 Y1388 K1423S919-H923 PolarHBondContact O-CE1 2.71Å; S919-H923 PolarHBondContact O-ND1 3.38Å; N920-H923 PolarHBondContact O-CE1 3.47Å; H923-F929 HydrophobicContact CB-CE2 3.67Å; H923-F929 HydrophobicContact CB-CZ 3.65Å; H923-R1385 PolarHBondContact ND1-NH1 2.59Å; H923-Y1388 AromaticContact CE1-CE2 3.67Å; H923-Y1388 AromaticContact CE1-CZ 3.92Å; H923-Y1388 PolarHBondContact CE1-OH 3.42Å; H923-Y1388 AromaticContact NE2-CE2 3.36Å; H923-Y1388 WeakPolarHBondContact NE2-CE2 3.31Å; H923-Y1388 AromaticContact NE2-CZ 3.47Å; H923-Y1388 PolarHBondContact NE2-OH 3.27Å; H923-K1423 WeakPolarHBondContact O-CE 3.23Å; H923-K1423 PolarHBondContact O-NZ 3.32Å; H923-K1423 VanDerWaalsContact O-NZ 3.13Å
924D68.9Low73.2Confident54 Ų5438.8 Ų38.829%0.28919%0.192SC..SBendtrans-143.9-178.9178.1-167.413.5000107.7F922 H928 F929F922-D924 PolarHBondContact O-N 2.85Å; D924-H928 IonicContact OD2-CG 3.32Å; D924-H928 IonicContact OD2-ND1 2.84Å; D924-H928 PolarHBondContact OD2-ND1 3.41Å; D924-F929 HydrophobicContact CB-CD2 3.65Å; D924-F929 HydrophobicContact CB-CE2 3.46Å; D924-F929 VanDerWaalsContact CB-CE2 3.46Å
925I73Confident72.8Confident4 Ų446.4 Ų46.42%0.02122%0.221CC..  trans-48.7127.4177.9-65.3168.9000110.3N912 I927 H928 F929 I1427N912-I925 WeakPolarHBondContact OD1-CG2 3.16Å; I925-I927 HydrophobicContact CG2-CB 4.26Å; I925-I927 PolarHBondContact O-N 3.39Å; I925-H928 HydrophobicContact CB-CB 4.41Å; I925-H928 WeakPolarHBondContact O-CA 3.35Å; I925-H928 WeakPolarHBondContact O-CB 3.42Å; I925-H928 PolarHBondContact O-N 3.09Å; I925-F929 PolarHBondContact O-N 3.2Å; I925-F929 VanDerWaalsContact O-N 3.1Å; I925-I1427 HydrophobicContact CG1-CG2 4.3Å
926P76.6Confident72.6Confident0 Ų046.9 Ų46.90%022%0.223CC..Hα-helixtrans-53.1-35-175.4-3036.1000114.1L853 L914 F922 F929 M930L853-P926 HydrophobicContact CD2-CB 3.57Å; L914-P926 HydrophobicContact CB-CG 4.3Å; F922-P926 HydrophobicContact CD1-CB 3.84Å; F922-P926 HydrophobicContact CD1-CG 3.79Å; F922-P926 HydrophobicContact CD2-CG 4.42Å; F922-P926 HydrophobicContact CE1-CB 3.78Å; F922-P926 HydrophobicContact CE1-CG 4.05Å; F922-P926 HydrophobicContact CG-CG 3.99Å; F922-P926 HydrophobicContact CZ-CB 4.43Å; F922-P926 HydrophobicContact CZ-CG 4.46Å; P926-F929 PolarHBondContact O-N 2.88Å; P926-M930 WeakPolarHBondContact O-CB 3.18Å; P926-M930 WeakPolarHBondContact O-CG 3.41Å; P926-M930 PolarHBondContact O-N 3.01Å
927I74.2Confident72.7Confident39 Ų3946.4 Ų46.420%0.222%0.22CC..Hα-helixtrans-67.3-37.8176.6-61.7-167.9000112.3V855 I925 M930 K931V855-I927 HydrophobicContact CG2-CD1 4.38Å; I925-I927 HydrophobicContact CG2-CB 4.26Å; I925-I927 PolarHBondContact O-N 3.39Å; I927-M930 PolarHBondContact O-N 2.89Å; I927-K931 HydrophobicContact CG2-CD 4.5Å; I927-K931 WeakPolarHBondContact O-CG 3.46Å; I927-K931 PolarHBondContact O-N 3.45Å
928H72.3Confident73.1Confident28 Ų2847.3 Ų47.313%0.1322%0.224CC..Hα-helixtrans-66.7-44.7174.9-66.4176.8000110.5D907 D924 I925 M930 K931 E932D907-H928 IonicContact OD2-NE2 2.79Å; D924-H928 IonicContact OD2-CG 3.32Å; D924-H928 IonicContact OD2-ND1 2.84Å; D924-H928 PolarHBondContact OD2-ND1 3.41Å; I925-H928 HydrophobicContact CB-CB 4.41Å; I925-H928 WeakPolarHBondContact O-CA 3.35Å; I925-H928 WeakPolarHBondContact O-CB 3.42Å; I925-H928 PolarHBondContact O-N 3.09Å; H928-M930 VanDerWaalsContact C-N 3.25Å; H928-M930 PolarHBondContact O-N 3.44Å; H928-K931 CarbonylContact O-C 3.33Å; H928-K931 WeakPolarHBondContact O-CA 3.07Å; H928-K931 WeakPolarHBondContact O-CB 3.41Å; H928-K931 PolarHBondContact O-N 2.95Å; H928-E932 WeakPolarHBondContact O-CG 3.46Å; H928-E932 PolarHBondContact O-N 3.26Å
929F70.7Confident73.5Confident18 Ų1847 Ų478%0.07922%0.222CC..Hα-helixtrans-59.7-36.3175.2-103.2-83.1000113H923 D924 I925 P926 Y933 T937H923-F929 HydrophobicContact CB-CE2 3.67Å; H923-F929 HydrophobicContact CB-CZ 3.65Å; D924-F929 HydrophobicContact CB-CD2 3.65Å; D924-F929 HydrophobicContact CB-CE2 3.46Å; D924-F929 VanDerWaalsContact CB-CE2 3.46Å; I925-F929 PolarHBondContact O-N 3.2Å; I925-F929 VanDerWaalsContact O-N 3.1Å; P926-F929 PolarHBondContact O-N 2.88Å; F929-Y933 HydrophobicContact CD1-CD2 4.23Å; F929-Y933 HydrophobicContact CE1-CD2 4.14Å; F929-Y933 CarbonylContact O-C 3.25Å; F929-Y933 WeakPolarHBondContact O-CA 3.43Å; F929-Y933 PolarHBondContact O-N 3.29Å; F929-T937 HydrophobicContact CB-CG2 4.16Å; F929-T937 PolarHBondContact O-OG1 2.98Å
930M72.8Confident74.2Confident29 Ų2944.7 Ų44.714%0.14321%0.206CC..Hα-helixtrans-69.3-30.1172-79.7-61.1-169.100113.4I849 L853 P926 I927 H928 P934 T937 E938 I941I849-M930 HydrophobicContact CG2-CE 3.45Å; I849-M930 VanDerWaalsContact CG2-CE 3.45Å; L853-M930 HydrophobicContact CD1-CE 3.6Å; L853-M930 HydrophobicContact CD1-CG 3.69Å; L853-M930 HydrophobicContact CD1-SD 4.39Å; L853-M930 HydrophobicContact CD2-CG 4.46Å; L853-M930 HydrophobicContact CG-CE 4.44Å; P926-M930 WeakPolarHBondContact O-CB 3.18Å; P926-M930 WeakPolarHBondContact O-CG 3.41Å; P926-M930 PolarHBondContact O-N 3.01Å; I927-M930 PolarHBondContact O-N 2.89Å; H928-M930 VanDerWaalsContact C-N 3.25Å; H928-M930 PolarHBondContact O-N 3.44Å; M930-P934 WeakPolarHBondContact O-CA 3.32Å; M930-P934 WeakPolarHBondContact O-CB 3.03Å; M930-P934 WeakPolarHBondContact O-CD 3.46Å; M930-T937 HydrophobicContact CE-CG2 3.81Å; M930-T937 HydrophobicContact CG-CG2 4.1Å; M930-T937 HydrophobicContact SD-CG2 3.86Å; M930-E938 HydrophobicContact CE-CB 4.39Å; M930-E938 HydrophobicContact CE-CG 3.76Å; M930-E938 HydrophobicContact SD-CG 3.98Å; M930-I941 HydrophobicContact CE-CD1 3.64Å
931K73.4Confident74.9Confident133 Ų13341.5 Ų41.558%0.57819%0.189SC*.Hα-helixtrans-74.8-40.4174.2-72171.9-178.4175.10111.7D907 I927 H928D907-K931 IonicContact OD2-NZ 3.94Å; D907-K931 PolarHBondContact OD2-NZ 3.01Å; I927-K931 HydrophobicContact CG2-CD 4.5Å; I927-K931 WeakPolarHBondContact O-CG 3.46Å; I927-K931 PolarHBondContact O-N 3.45Å; H928-K931 CarbonylContact O-C 3.33Å; H928-K931 WeakPolarHBondContact O-CA 3.07Å; H928-K931 WeakPolarHBondContact O-CB 3.41Å; H928-K931 PolarHBondContact O-N 2.95Å
932E73.5Confident75.6Confident118 Ų11841.7 Ų41.755%0.55119%0.19SC*.Hα-helixtrans-79.9-45.8-176.4-67.8-176.4174.100112.9H928H928-E932 WeakPolarHBondContact O-CG 3.46Å; H928-E932 PolarHBondContact O-N 3.26Å
933Y74.3Confident76.1Confident114 Ų11441.9 Ų41.945%0.44719%0.191SC..SBendtrans-132.957.9-175-55.6-74.9000111.5F929 R935 Q936 T937F929-Y933 HydrophobicContact CD1-CD2 4.23Å; F929-Y933 HydrophobicContact CE1-CD2 4.14Å; F929-Y933 CarbonylContact O-C 3.25Å; F929-Y933 WeakPolarHBondContact O-CA 3.43Å; F929-Y933 PolarHBondContact O-N 3.29Å; Y933-R935 VanDerWaalsContact C-N 3.34Å; Y933-R935 PolarHBondContact O-N 3.34Å; Y933-Q936 PolarHBondContact O-N 2.91Å; Y933-T937 PolarHBondContact O-N 2.91Å; Y933-T937 PolarHBondContact O-OG1 2.67Å; Y933-T937 VanDerWaalsContact O-OG1 3.1Å
934P75.9Confident76.9Confident56 Ų5641.3 Ų41.336%0.36419%0.188SC..Hα-helixtrans-52.3-53.1-170.816.5-29.7000111.9M930 Q936 E938M930-P934 WeakPolarHBondContact O-CA 3.32Å; M930-P934 WeakPolarHBondContact O-CB 3.03Å; M930-P934 WeakPolarHBondContact O-CD 3.46Å; P934-Q936 VanDerWaalsContact C-N 3.28Å; P934-Q936 PolarHBondContact O-N 2.77Å; P934-E938 VanDerWaalsContact O-CB 3.26Å; P934-E938 WeakPolarHBondContact O-CB 3.2Å; P934-E938 WeakPolarHBondContact O-CG 3.48Å; P934-E938 PolarHBondContact O-N 3.07Å
935R75.7Confident77.6Confident160 Ų16039.2 Ų39.260%0.60418%0.177SC*.Hα-helixtrans-52.9-44.9179.4-79.2-170.8-169.8178.74.9111.1Y933 L939 W964Y933-R935 VanDerWaalsContact C-N 3.34Å; Y933-R935 PolarHBondContact O-N 3.34Å; R935-L939 PolarHBondContact O-N 3.14Å; R935-L939 VanDerWaalsContact O-N 3.15Å; R935-W964 HydrophobicContact CB-CZ2 4.16Å; R935-W964 PolarHBondContact O-NE1 3.05Å
936Q74.6Confident78Confident15 Ų1539.2 Ų39.27%0.0718%0.177CC..Hα-helixtrans-77.2-48.5-172-169.2163.1-12.200112.6Y933 P934 E938 L939 E940 W964 I1381Y933-Q936 PolarHBondContact O-N 2.91Å; P934-Q936 VanDerWaalsContact C-N 3.28Å; P934-Q936 PolarHBondContact O-N 2.77Å; Q936-E938 PolarHBondContact O-N 3.34Å; Q936-L939 PolarHBondContact O-N 3.34Å; Q936-E940 HydrophobicContact CG-CG 4.4Å; Q936-E940 WeakPolarHBondContact CG-OE1 3.44Å; Q936-E940 PolarHBondContact NE2-OE1 3.43Å; Q936-E940 WeakPolarHBondContact O-CG 2.85Å; Q936-E940 PolarHBondContact O-N 3.17Å; Q936-W964 HydrophobicContact CB-CH2 3.78Å; Q936-W964 HydrophobicContact CB-CZ2 3.4Å; Q936-W964 HydrophobicContact CG-CH2 3.72Å; Q936-W964 HydrophobicContact CG-CZ2 3.82Å; Q936-W964 VanDerWaalsContact N-CZ2 3.34Å; Q936-I1381 HydrophobicContact CG-CG2 3.97Å; Q936-I1381 PolarHBondContact NE2-O 2.88Å; Q936-I1381 VanDerWaalsContact NE2-O 3.09Å
937T77.7Confident78.2Confident2 Ų240.6 Ų40.61%0.01219%0.187CC..Hα-helixtrans-60-38.9177.4-480000110F922 F929 M930 Y933 I941F922-T937 HydrophobicContact CE1-CG2 4.11Å; F929-T937 HydrophobicContact CB-CG2 4.16Å; F929-T937 PolarHBondContact O-OG1 2.98Å; M930-T937 HydrophobicContact CE-CG2 3.81Å; M930-T937 HydrophobicContact CG-CG2 4.1Å; M930-T937 HydrophobicContact SD-CG2 3.86Å; Y933-T937 PolarHBondContact O-N 2.91Å; Y933-T937 PolarHBondContact O-OG1 2.67Å; Y933-T937 VanDerWaalsContact O-OG1 3.1Å; T937-I941 HydrophobicContact CG2-CD1 4.09Å; T937-I941 WeakPolarHBondContact O-CD1 3.47Å; T937-I941 VanDerWaalsContact O-CG1 3.26Å; T937-I941 WeakPolarHBondContact O-CG1 3.37Å; T937-I941 PolarHBondContact O-N 3.49Å; T937-I941 VanDerWaalsContact O-N 3.08Å
938E82.1Confident78.3Confident40 Ų4039.5 Ų39.519%0.18718%0.182CC..Hα-helixtrans-58.3-48.3171.5-78.1174.2-163.100112I849 M930 P934 Q936 I941 E942 R1344I849-E938 HydrophobicContact CD1-CB 3.76Å; I849-E938 HydrophobicContact CD1-CG 3.79Å; M930-E938 HydrophobicContact CE-CB 4.39Å; M930-E938 HydrophobicContact CE-CG 3.76Å; M930-E938 HydrophobicContact SD-CG 3.98Å; P934-E938 VanDerWaalsContact O-CB 3.26Å; P934-E938 WeakPolarHBondContact O-CB 3.2Å; P934-E938 WeakPolarHBondContact O-CG 3.48Å; P934-E938 PolarHBondContact O-N 3.07Å; Q936-E938 PolarHBondContact O-N 3.34Å; E938-I941 PolarHBondContact O-N 2.97Å; E938-E942 WeakPolarHBondContact O-CB 3.44Å; E938-E942 WeakPolarHBondContact O-CG 3.22Å; E938-E942 PolarHBondContact O-N 3.45Å; E938-R1344 IonicContact OE2-NH1 3.79Å; E938-R1344 PolarHBondContact OE2-NH1 3.38Å
939L81.7Confident78.3Confident5 Ų539 Ų393%0.02618%0.181CC..Hα-helixtrans-66.5-39.3-176.9-171.258.7000112.6R935 Q936 E942 V943 L960 A963 W964 L968 I1381R935-L939 PolarHBondContact O-N 3.14Å; R935-L939 VanDerWaalsContact O-N 3.15Å; Q936-L939 PolarHBondContact O-N 3.34Å; L939-E942 WeakPolarHBondContact O-CB 3.44Å; L939-E942 PolarHBondContact O-N 2.82Å; L939-V943 WeakPolarHBondContact O-CG2 3.29Å; L939-V943 PolarHBondContact O-N 3.5Å; L939-L960 HydrophobicContact CD1-CD2 3.77Å; L939-A963 HydrophobicContact CD1-CB 3.35Å; L939-A963 HydrophobicContact CD2-CB 4.24Å; L939-A963 HydrophobicContact CG-CB 4.34Å; L939-W964 HydrophobicContact CD2-CD2 3.98Å; L939-W964 HydrophobicContact CD2-CE3 4.06Å; L939-W964 HydrophobicContact CD2-CZ3 4.32Å; L939-L968 HydrophobicContact CD1-CD2 4.1Å; L939-L968 HydrophobicContact CD2-CB 4.29Å; L939-L968 HydrophobicContact CD2-CD2 4.33Å; L939-I1381 HydrophobicContact CD2-CD1 3.89Å; L939-I1381 HydrophobicContact CD2-CG1 3.84Å; L939-I1381 HydrophobicContact CD2-CG2 4.22Å; L939-I1381 HydrophobicContact CG-CD1 3.75Å; L939-I1381 HydrophobicContact CG-CG1 4.26Å
940E82.4Confident78.2Confident2 Ų238.2 Ų38.21%0.00918%0.178CC..Hα-helixtrans-68-40.2178.1-64.6174.7-173.100111.2L921 Q936 V943 E944 I1381 R1385L921-E940 HydrophobicContact CD1-CB 3.51Å; L921-E940 HydrophobicContact CD1-CG 4.43Å; L921-E940 WeakPolarHBondContact CD1-OE2 3.33Å; Q936-E940 HydrophobicContact CG-CG 4.4Å; Q936-E940 WeakPolarHBondContact CG-OE1 3.44Å; Q936-E940 PolarHBondContact NE2-OE1 3.43Å; Q936-E940 WeakPolarHBondContact O-CG 2.85Å; Q936-E940 PolarHBondContact O-N 3.17Å; E940-V943 PolarHBondContact O-N 2.79Å; E940-E944 WeakPolarHBondContact O-CG 3.24Å; E940-E944 PolarHBondContact O-N 3.33Å; E940-I1381 HydrophobicContact CG-CB 4.41Å; E940-I1381 HydrophobicContact CG-CG2 3.58Å; E940-R1385 VanDerWaalsContact CD-NH2 3.32Å; E940-R1385 IonicContact OE1-CZ 3.42Å; E940-R1385 IonicContact OE1-NE 3.25Å; E940-R1385 PolarHBondContact OE1-NE 2.96Å; E940-R1385 IonicContact OE1-NH2 3.73Å; E940-R1385 PolarHBondContact OE1-NH2 3.01Å; E940-R1385 IonicContact OE2-CZ 3.75Å; E940-R1385 IonicContact OE2-NH2 2.96Å; E940-R1385 PolarHBondContact OE2-NH2 3.31Å
941I83.8Confident78.3Confident0 Ų037 Ų370%017%0.172CC..Hα-helixtrans-66.2-39173.7-64.9167.1000111.2Y843 I849 V852 L853 F922 M930 T937 E938 V943 E944 L945Y843-I941 HydrophobicContact CE1-CG2 4.48Å; I849-I941 HydrophobicContact CB-CG2 4.39Å; I849-I941 HydrophobicContact CG1-CG2 4.22Å; I849-I941 HydrophobicContact CG2-CB 4.3Å; I849-I941 HydrophobicContact CG2-CD1 3.83Å; I849-I941 HydrophobicContact CG2-CG2 4.03Å; V852-I941 HydrophobicContact CB-CG2 4.19Å; V852-I941 HydrophobicContact CG1-CG2 4.14Å; V852-I941 HydrophobicContact CG2-CG2 4.17Å; L853-I941 HydrophobicContact CD2-CD1 4.02Å; L853-I941 HydrophobicContact CG-CD1 4.38Å; F922-I941 HydrophobicContact CE1-CD1 4.1Å; F922-I941 HydrophobicContact CE1-CG1 4.46Å; F922-I941 HydrophobicContact CZ-CD1 3.98Å; F922-I941 HydrophobicContact CZ-CG1 4.09Å; M930-I941 HydrophobicContact CE-CD1 3.64Å; T937-I941 HydrophobicContact CG2-CD1 4.09Å; T937-I941 WeakPolarHBondContact O-CD1 3.47Å; T937-I941 VanDerWaalsContact O-CG1 3.26Å; T937-I941 WeakPolarHBondContact O-CG1 3.37Å; T937-I941 PolarHBondContact O-N 3.49Å; T937-I941 VanDerWaalsContact O-N 3.08Å; E938-I941 PolarHBondContact O-N 2.97Å; I941-V943 VanDerWaalsContact C-N 3.34Å; I941-V943 PolarHBondContact O-N 3.48Å; I941-E944 PolarHBondContact O-N 3.35Å; I941-L945 HydrophobicContact CG2-CD1 4.01Å; I941-L945 HydrophobicContact CG2-CG 4.29Å; I941-L945 WeakPolarHBondContact O-CB 3.28Å; I941-L945 WeakPolarHBondContact O-CG 3.48Å; I941-L945 PolarHBondContact O-N 3Å
942E84.1Confident78.3Confident7 Ų731 Ų313%0.03315%0.146CC..Hα-helixtrans-61.5-40.3175.9-75.4-85.9150.100112.6I849 E938 L939 F946 R956 S959 L960I849-E942 HydrophobicContact CD1-CG 3.65Å; I849-E942 WeakPolarHBondContact CD1-OE1 3.49Å; I849-E942 HydrophobicContact CG1-CG 4.09Å; I849-E942 WeakPolarHBondContact CG1-OE1 3.33Å; E938-E942 WeakPolarHBondContact O-CB 3.44Å; E938-E942 WeakPolarHBondContact O-CG 3.22Å; E938-E942 PolarHBondContact O-N 3.45Å; L939-E942 WeakPolarHBondContact O-CB 3.44Å; L939-E942 PolarHBondContact O-N 2.82Å; E942-F946 VanDerWaalsContact O-CB 3.28Å; E942-F946 WeakPolarHBondContact O-CB 2.89Å; E942-F946 PolarHBondContact O-N 2.98Å; E942-R956 VanDerWaalsContact CD-NH1 3.27Å; E942-R956 IonicContact OE1-CZ 3.62Å; E942-R956 IonicContact OE1-NE 2.78Å; E942-R956 IonicContact OE1-NH1 3.37Å; E942-R956 PolarHBondContact OE1-NH1 2.87Å; E942-R956 IonicContact OE1-NH2 3.18Å; E942-R956 PolarHBondContact OE1-NH2 3.44Å; E942-R956 VanDerWaalsContact OE2-CD 3.29Å; E942-R956 WeakPolarHBondContact OE2-CD 3.43Å; E942-R956 IonicContact OE2-CZ 2.97Å; E942-R956 IonicContact OE2-NE 3.82Å; E942-R956 PolarHBondContact OE2-NE 3.04Å; E942-R956 IonicContact OE2-NH1 2.69Å; E942-R956 PolarHBondContact OE2-NH1 3.23Å; E942-R956 IonicContact OE2-NH2 3.73Å; E942-R956 PolarHBondContact OE2-NH2 3.45Å; E942-S959 PolarHBondContact OE2-OG 2.8Å; E942-L960 HydrophobicContact CB-CD2 3.76Å
943V84.2Confident78.2Confident3 Ų326 Ų262%0.01812%0.123CC..Hα-helixtrans-67.1-41.5175.1171.90000110.9L939 E940 I941 F946 S947 L960 I1377 S1378 I1381L939-V943 WeakPolarHBondContact O-CG2 3.29Å; L939-V943 PolarHBondContact O-N 3.5Å; E940-V943 PolarHBondContact O-N 2.79Å; I941-V943 VanDerWaalsContact C-N 3.34Å; I941-V943 PolarHBondContact O-N 3.48Å; V943-F946 PolarHBondContact O-N 3.07Å; V943-S947 WeakPolarHBondContact O-CB 3.44Å; V943-S947 PolarHBondContact O-N 2.95Å; V943-L960 HydrophobicContact CG2-CD2 3.62Å; V943-I1377 HydrophobicContact CG1-CG2 4.26Å; V943-I1377 HydrophobicContact CG2-CG2 3.88Å; V943-S1378 WeakPolarHBondContact CG1-OG 3.22Å; V943-I1381 HydrophobicContact CG2-CD1 3.66Å
944E82.8Confident78.2Confident41 Ų4121.4 Ų21.419%0.19211%0.107CC..Hα-helixtrans-62.6-48175.1-74.9-64.4157.800111.6Y843 L921 E940 I941 F946 S947 V948Y843-E944 HydrophobicContact CD1-CB 3.93Å; Y843-E944 HydrophobicContact CE1-CB 3.53Å; Y843-E944 HydrophobicContact CE1-CG 4.36Å; L921-E944 HydrophobicContact CD2-CG 4.37Å; E940-E944 WeakPolarHBondContact O-CG 3.24Å; E940-E944 PolarHBondContact O-N 3.33Å; I941-E944 PolarHBondContact O-N 3.35Å; E944-F946 VanDerWaalsContact C-N 3.32Å; E944-F946 PolarHBondContact O-N 3.5Å; E944-S947 PolarHBondContact O-N 3.38Å; E944-S947 PolarHBondContact O-OG 3.16Å; E944-V948 WeakPolarHBondContact O-CB 3.49Å; E944-V948 VanDerWaalsContact O-CG2 3.3Å; E944-V948 WeakPolarHBondContact O-CG2 3.41Å; E944-V948 PolarHBondContact O-N 2.78Å; E944-V948 VanDerWaalsContact O-N 3.1Å
945L83.6Confident78.2Confident10 Ų1019.3 Ų19.35%0.0529%0.094CC..Hα-helixtrans-58.1-43.8175-75.4171.7000112.1Y843 A846 V852 I941 V948 S949Y843-L945 HydrophobicContact CD1-CD2 4.06Å; Y843-L945 HydrophobicContact CD1-CG 4.31Å; A846-L945 HydrophobicContact CB-CD2 4.2Å; V852-L945 HydrophobicContact CG2-CD1 4.2Å; V852-L945 HydrophobicContact CG2-CD2 3.83Å; V852-L945 HydrophobicContact CG2-CG 4.26Å; I941-L945 HydrophobicContact CG2-CD1 4.01Å; I941-L945 HydrophobicContact CG2-CG 4.29Å; I941-L945 WeakPolarHBondContact O-CB 3.28Å; I941-L945 WeakPolarHBondContact O-CG 3.48Å; I941-L945 PolarHBondContact O-N 3Å; L945-V948 PolarHBondContact O-N 2.75Å; L945-S949 PolarHBondContact O-N 3.17Å
946F82.5Confident78.4Confident3 Ų312.9 Ų12.91%0.0137%0.069CC..Hα-helixtrans-64-43176.5-179.4-97.1000111.9E942 V943 E944 V948 S949 R956 I957 L960 H1367 L1370 H1371E942-F946 VanDerWaalsContact O-CB 3.28Å; E942-F946 WeakPolarHBondContact O-CB 2.89Å; E942-F946 PolarHBondContact O-N 2.98Å; V943-F946 PolarHBondContact O-N 3.07Å; E944-F946 VanDerWaalsContact C-N 3.32Å; E944-F946 PolarHBondContact O-N 3.5Å; F946-V948 PolarHBondContact O-N 3.32Å; F946-S949 PolarHBondContact O-OG 3.44Å; F946-R956 HydrophobicContact CB-CG 4.21Å; F946-R956 HydrophobicContact CD2-CB 4.15Å; F946-R956 HydrophobicContact CD2-CG 4.23Å; F946-I957 HydrophobicContact CD2-CG1 4.46Å; F946-I957 HydrophobicContact CE2-CD1 4.17Å; F946-I957 HydrophobicContact CE2-CG1 3.57Å; F946-I957 HydrophobicContact CZ-CD1 4.43Å; F946-I957 HydrophobicContact CZ-CG1 4.02Å; F946-L960 HydrophobicContact CB-CD1 3.98Å; F946-L960 HydrophobicContact CD1-CD1 4.19Å; F946-L960 HydrophobicContact CD2-CD1 4.22Å; F946-L960 HydrophobicContact CG-CD1 3.84Å; F946-H1367 AromaticContact CE2-ND1 3.68Å; F946-H1367 AromaticContact CZ-ND1 3.53Å; F946-L1370 HydrophobicContact CD1-CB 4.26Å; F946-L1370 HydrophobicContact CE1-CB 3.4Å; F946-L1370 VanDerWaalsContact CE1-CB 3.4Å; F946-L1370 HydrophobicContact CE1-CD1 4.33Å; F946-L1370 HydrophobicContact CZ-CB 3.9Å; F946-L1370 HydrophobicContact CZ-CD1 4.25Å; F946-H1371 AromaticContact CE1-CD2 3.66Å; F946-H1371 AromaticContact CE1-CG 3.97Å; F946-H1371 AromaticContact CE1-NE2 3.93Å; F946-H1371 AromaticContact CZ-CD2 3.66Å; F946-H1371 AromaticContact CZ-NE2 3.89Å; F946-H1371 PolarHBondContact O-CE1 3.29Å; F946-H1371 PolarHBondContact O-NE2 3.36Å
947S79.8Confident78.8Confident30 Ų3012.2 Ų12.221%0.217%0.066CC..Hα-helixtrans-61.5-33.6-179.876.60000112.4V943 E944 H1371V943-S947 WeakPolarHBondContact O-CB 3.44Å; V943-S947 PolarHBondContact O-N 2.95Å; E944-S947 PolarHBondContact O-N 3.38Å; E944-S947 PolarHBondContact O-OG 3.16Å; S947-H1371 PolarHBondContact O-CE1 3.24Å
948V76.1Confident79Confident16 Ų1612.1 Ų12.110%0.0977%0.065CC..Hα-helixtrans-88.5-31.6-172.8169.10000112.9W781 R844 E944 L945 F946 G950W781-V948 WeakPolarHBondContact CZ2-O 3.33Å; W781-V948 PolarHBondContact NE1-O 2.89Å; R844-V948 HydrophobicContact CB-CG1 4.18Å; R844-V948 HydrophobicContact CG-CG1 3.15Å; E944-V948 WeakPolarHBondContact O-CB 3.49Å; E944-V948 VanDerWaalsContact O-CG2 3.3Å; E944-V948 WeakPolarHBondContact O-CG2 3.41Å; E944-V948 PolarHBondContact O-N 2.78Å; E944-V948 VanDerWaalsContact O-N 3.1Å; L945-V948 PolarHBondContact O-N 2.75Å; F946-V948 PolarHBondContact O-N 3.32Å; V948-G950 VanDerWaalsContact C-N 3.29Å; V948-G950 PolarHBondContact O-N 2.91Å
949S72.4Confident79Confident17 Ų1710.2 Ų10.212%0.1196%0.057CC..Hα-helixtrans-60-38-172.763.90000112.1L945 F946 H951L945-S949 PolarHBondContact O-N 3.17Å; F946-S949 PolarHBondContact O-OG 3.44Å; S949-H951 PolarHBondContact O-N 3.31Å; S949-H951 PolarHBondContact O-ND1 3.35Å
950G69.8Low79.1Confident2 Ų210.2 Ų10.22%0.0216%0.057CC..  trans66-19179.700000114.7V948V948-G950 VanDerWaalsContact C-N 3.29Å; V948-G950 PolarHBondContact O-N 2.91Å
951H75Confident79.2Confident2 Ų210.1 Ų10.11%0.0096%0.056CC..SBendtrans-84.4154.2172.5-55.687.9000112.1L508 C788 G790 S793 S949 D953 H1367L508-H951 WeakPolarHBondContact O-CA 3.26Å; L508-H951 WeakPolarHBondContact O-CB 3.38Å; C788-H951 PolarHBondContact O-NE2 3.42Å; G790-H951 PolarHBondContact N-CD2 2.77Å; S793-H951 PolarHBondContact OG-CE1 2.92Å; S793-H951 PolarHBondContact OG-NE2 3.13Å; S949-H951 PolarHBondContact O-N 3.31Å; S949-H951 PolarHBondContact O-ND1 3.35Å; H951-D953 PolarHBondContact O-N 3.15Å; H951-H1367 PolarHBondContact O-CE1 3.04Å
952F71.5Confident78.9Confident9 Ų910.4 Ų10.44%0.0396%0.058CC..BIsolated β-bridgetrans-72.3101.3175.9173.6-110.4000112.4G507 L508 M510 P954 I957 L1363 F1364 H1367G507-F952 WeakPolarHBondContact CA-O 2.97Å; G507-F952 PolarHBondContact N-O 3.42Å; L508-F952 HydrophobicContact CB-CB 4.32Å; L508-F952 HydrophobicContact CB-CD1 4.49Å; L508-F952 HydrophobicContact CD1-CD1 4.25Å; L508-F952 PolarHBondContact N-O 3.24Å; L508-F952 PolarHBondContact O-N 3.13Å; M510-F952 HydrophobicContact CB-CB 3.56Å; M510-F952 HydrophobicContact CG-CB 3.79Å; M510-F952 HydrophobicContact CG-CG 4.49Å; M510-F952 HydrophobicContact SD-CB 3.55Å; M510-F952 VanDerWaalsContact SD-CB 3.55Å; M510-F952 HydrophobicContact SD-CD1 4.26Å; M510-F952 HydrophobicContact SD-CD2 4.02Å; M510-F952 HydrophobicContact SD-CG 3.69Å; F952-P954 HydrophobicContact CD1-CG 4.41Å; F952-P954 HydrophobicContact CE1-CB 4.02Å; F952-P954 HydrophobicContact CE1-CG 3.83Å; F952-P954 HydrophobicContact CE2-CB 4.46Å; F952-P954 HydrophobicContact CZ-CB 3.8Å; F952-P954 HydrophobicContact CZ-CG 4.16Å; F952-P954 VanDerWaalsContact O-CD 3.23Å; F952-P954 WeakPolarHBondContact O-CD 2.94Å; F952-I957 HydrophobicContact CD2-CD1 4.43Å; F952-I957 HydrophobicContact CE2-CD1 4.04Å; F952-L1363 HydrophobicContact CE2-CB 4.37Å; F952-L1363 HydrophobicContact CZ-CB 4.07Å; F952-F1364 HydrophobicContact CD1-CD1 4.29Å; F952-F1364 AromaticContact CD1-CE1 3.77Å; F952-F1364 HydrophobicContact CD1-CE1 3.77Å; F952-F1364 AromaticContact CD2-CD1 3.91Å; F952-F1364 HydrophobicContact CD2-CD1 3.91Å; F952-F1364 HydrophobicContact CD2-CE1 4.23Å; F952-F1364 AromaticContact CE1-CD1 3.9Å; F952-F1364 HydrophobicContact CE1-CD1 3.9Å; F952-F1364 AromaticContact CE1-CE1 3.41Å; F952-F1364 HydrophobicContact CE1-CE1 3.41Å; F952-F1364 VanDerWaalsContact CE1-CE1 3.41Å; F952-F1364 HydrophobicContact CE1-CZ 4.24Å; F952-F1364 AromaticContact CE2-CD1 3.5Å; F952-F1364 HydrophobicContact CE2-CD1 3.5Å; F952-F1364 AromaticContact CE2-CE1 3.93Å; F952-F1364 HydrophobicContact CE2-CE1 3.93Å; F952-F1364 HydrophobicContact CE2-CG 4.45Å; F952-F1364 HydrophobicContact CG-CD1 4.28Å; F952-F1364 HydrophobicContact CG-CE1 4.16Å; F952-F1364 AromaticContact CZ-CD1 3.48Å; F952-F1364 HydrophobicContact CZ-CD1 3.48Å; F952-F1364 VanDerWaalsContact CZ-CD1 3.48Å; F952-F1364 AromaticContact CZ-CE1 3.49Å; F952-F1364 HydrophobicContact CZ-CE1 3.49Å; F952-F1364 VanDerWaalsContact CZ-CE1 3.49Å; F952-F1364 HydrophobicContact CZ-CG 4.41Å; F952-F1364 HydrophobicContact CZ-CZ 4.41Å; F952-H1367 HydrophobicContact CD2-CB 3.67Å; F952-H1367 AromaticContact CD2-CG 3.62Å; F952-H1367 AromaticContact CD2-ND1 3.93Å; F952-H1367 HydrophobicContact CE2-CB 3.91Å
953D73.2Confident78.6Confident13 Ų1310.1 Ų10.17%0.076%0.057CC..  trans-109.989179.6-168.1-19.4000112.2H951 V955 R956 I957H951-D953 PolarHBondContact O-N 3.15Å; D953-V955 VanDerWaalsContact C-N 3.28Å; D953-V955 PolarHBondContact O-N 3.42Å; D953-V955 PolarHBondContact OD1-N 2.88Å; D953-V955 VanDerWaalsContact OD1-N 3.15Å; D953-R956 HydrophobicContact CB-CB 3.99Å; D953-R956 VanDerWaalsContact CG-CB 3.48Å; D953-R956 PolarHBondContact O-N 3.39Å; D953-R956 PolarHBondContact OD1-N 3.36Å; D953-I957 VanDerWaalsContact O-CG1 3.31Å; D953-I957 WeakPolarHBondContact O-CG1 3.46Å; D953-I957 PolarHBondContact O-N 3.02Å; D953-I957 VanDerWaalsContact O-N 3.1Å
954P72.9Confident77.9Confident17 Ų1712.1 Ų12.111%0.116%0.064CC..Hα-helixtrans-68.8-26.4-179.529.4-35.7000112.9F952 I957 I958 L1352 L1363F952-P954 HydrophobicContact CD1-CG 4.41Å; F952-P954 HydrophobicContact CE1-CB 4.02Å; F952-P954 HydrophobicContact CE1-CG 3.83Å; F952-P954 HydrophobicContact CE2-CB 4.46Å; F952-P954 HydrophobicContact CZ-CB 3.8Å; F952-P954 HydrophobicContact CZ-CG 4.16Å; F952-P954 VanDerWaalsContact O-CD 3.23Å; F952-P954 WeakPolarHBondContact O-CD 2.94Å; P954-I957 PolarHBondContact O-N 3.29Å; P954-I958 WeakPolarHBondContact O-CG1 3.17Å; P954-I958 PolarHBondContact O-N 3.04Å; P954-L1352 HydrophobicContact CB-CD1 3.74Å; P954-L1352 HydrophobicContact CB-CD2 4.31Å; P954-L1352 HydrophobicContact CG-CD1 4.25Å; P954-L1352 HydrophobicContact CG-CD2 3.97Å; P954-L1363 HydrophobicContact CB-CD1 4.13Å
955V75.5Confident77.5Confident12 Ų1213.6 Ų13.67%0.0737%0.073CC..Hα-helixtrans-68.1-41.7177.71800000109.7D953 I958 S959 N1348 I1349 L1352D953-V955 VanDerWaalsContact C-N 3.28Å; D953-V955 PolarHBondContact O-N 3.42Å; D953-V955 PolarHBondContact OD1-N 2.88Å; D953-V955 VanDerWaalsContact OD1-N 3.15Å; V955-I958 PolarHBondContact O-N 3.48Å; V955-S959 WeakPolarHBondContact O-CB 3.5Å; V955-S959 PolarHBondContact O-N 2.95Å; V955-N1348 HydrophobicContact CG1-CB 4.1Å; V955-I1349 HydrophobicContact CG1-CG1 4.24Å; V955-I1349 HydrophobicContact CG2-CG1 4.01Å; V955-L1352 HydrophobicContact CG2-CD2 3.87Å
956R81.2Confident77.3Confident25 Ų2513.3 Ų13.39%0.0947%0.071CC..Hα-helixtrans-67-39.7173.8-149.292.2-64-145.7-25.2112.4E942 F946 D953 I958 S959 L960E942-R956 VanDerWaalsContact CD-NH1 3.27Å; E942-R956 IonicContact OE1-CZ 3.62Å; E942-R956 IonicContact OE1-NE 2.78Å; E942-R956 IonicContact OE1-NH1 3.37Å; E942-R956 PolarHBondContact OE1-NH1 2.87Å; E942-R956 IonicContact OE1-NH2 3.18Å; E942-R956 PolarHBondContact OE1-NH2 3.44Å; E942-R956 VanDerWaalsContact OE2-CD 3.29Å; E942-R956 WeakPolarHBondContact OE2-CD 3.43Å; E942-R956 IonicContact OE2-CZ 2.97Å; E942-R956 IonicContact OE2-NE 3.82Å; E942-R956 PolarHBondContact OE2-NE 3.04Å; E942-R956 IonicContact OE2-NH1 2.69Å; E942-R956 PolarHBondContact OE2-NH1 3.23Å; E942-R956 IonicContact OE2-NH2 3.73Å; E942-R956 PolarHBondContact OE2-NH2 3.45Å; F946-R956 HydrophobicContact CB-CG 4.21Å; F946-R956 HydrophobicContact CD2-CB 4.15Å; F946-R956 HydrophobicContact CD2-CG 4.23Å; D953-R956 HydrophobicContact CB-CB 3.99Å; D953-R956 VanDerWaalsContact CG-CB 3.48Å; D953-R956 PolarHBondContact O-N 3.39Å; D953-R956 PolarHBondContact OD1-N 3.36Å; R956-I958 VanDerWaalsContact C-N 3.34Å; R956-I958 PolarHBondContact O-N 3.05Å; R956-S959 PolarHBondContact NH2-OG 3.38Å; R956-S959 CarbonylContact O-C 3.24Å; R956-S959 WeakPolarHBondContact O-CA 3.46Å; R956-S959 VanDerWaalsContact O-CB 3.31Å; R956-S959 WeakPolarHBondContact O-CB 3.5Å; R956-S959 PolarHBondContact O-N 3.46Å; R956-S959 VanDerWaalsContact O-N 3.12Å; R956-L960 WeakPolarHBondContact O-CB 3.39Å; R956-L960 VanDerWaalsContact O-CG 3.31Å; R956-L960 WeakPolarHBondContact O-CG 3.33Å; R956-L960 PolarHBondContact O-N 3.21Å
957I82.6Confident77.2Confident0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-58.5-47.1174.5-65.8167.1000110.8F946 F952 D953 P954 S959 L960 L961 L1363 M1366 H1367 L1370F946-I957 HydrophobicContact CD2-CG1 4.46Å; F946-I957 HydrophobicContact CE2-CD1 4.17Å; F946-I957 HydrophobicContact CE2-CG1 3.57Å; F946-I957 HydrophobicContact CZ-CD1 4.43Å; F946-I957 HydrophobicContact CZ-CG1 4.02Å; F952-I957 HydrophobicContact CD2-CD1 4.43Å; F952-I957 HydrophobicContact CE2-CD1 4.04Å; D953-I957 VanDerWaalsContact O-CG1 3.31Å; D953-I957 WeakPolarHBondContact O-CG1 3.46Å; D953-I957 PolarHBondContact O-N 3.02Å; D953-I957 VanDerWaalsContact O-N 3.1Å; P954-I957 PolarHBondContact O-N 3.29Å; I957-S959 VanDerWaalsContact C-N 3.34Å; I957-L960 PolarHBondContact O-N 3.44Å; I957-L961 HydrophobicContact CG2-CD1 3.98Å; I957-L961 HydrophobicContact CG2-CG 4.45Å; I957-L961 WeakPolarHBondContact O-CB 3.15Å; I957-L961 WeakPolarHBondContact O-CG 3.33Å; I957-L961 PolarHBondContact O-N 2.91Å; I957-L1363 HydrophobicContact CB-CD2 4.5Å; I957-L1363 HydrophobicContact CG2-CD2 4.01Å; I957-M1366 HydrophobicContact CG2-CB 3.94Å; I957-H1367 HydrophobicContact CD1-CB 3.56Å; I957-L1370 HydrophobicContact CG1-CD1 4.17Å; I957-L1370 HydrophobicContact CG2-CD1 4.11Å
958I81.3Confident77.3Confident0 Ų015.8 Ų15.80%08%0.078CC..Hα-helixtrans-63.3-43.3175.2-68.2173.2000110.2P954 V955 R956 L960 L961 T962 I1007 N1348 N1351 L1352 V1355 L1363P954-I958 WeakPolarHBondContact O-CG1 3.17Å; P954-I958 PolarHBondContact O-N 3.04Å; V955-I958 PolarHBondContact O-N 3.48Å; R956-I958 VanDerWaalsContact C-N 3.34Å; R956-I958 PolarHBondContact O-N 3.05Å; I958-L960 VanDerWaalsContact C-N 3.29Å; I958-L960 PolarHBondContact O-N 2.87Å; I958-L961 PolarHBondContact O-N 3.26Å; I958-T962 HydrophobicContact CG2-CG2 3.94Å; I958-T962 VanDerWaalsContact O-CB 3.28Å; I958-T962 WeakPolarHBondContact O-CB 3.36Å; I958-T962 VanDerWaalsContact O-CG2 3.25Å; I958-T962 WeakPolarHBondContact O-CG2 3.33Å; I958-T962 PolarHBondContact O-N 3.24Å; I958-T962 PolarHBondContact O-OG1 3.34Å; I958-I1007 HydrophobicContact CG2-CD1 4.3Å; I958-N1348 HydrophobicContact CG2-CB 4.41Å; I958-N1351 HydrophobicContact CG2-CB 4.39Å; I958-L1352 VanDerWaalsContact CD1-CA 3.49Å; I958-L1352 HydrophobicContact CD1-CB 3.68Å; I958-L1352 HydrophobicContact CD1-CD1 3.54Å; I958-L1352 HydrophobicContact CD1-CG 4.2Å; I958-V1355 HydrophobicContact CD1-CB 4.42Å; I958-V1355 HydrophobicContact CD1-CG2 4.18Å; I958-L1363 HydrophobicContact CG1-CD2 4.27Å
959S82.3Confident77.6Confident1 Ų115 Ų151%0.0077%0.074CC..Hα-helixtrans-56.4-42.1176.7-174.70000112.5E942 V955 R956 I957 A963E942-S959 PolarHBondContact OE2-OG 2.8Å; V955-S959 WeakPolarHBondContact O-CB 3.5Å; V955-S959 PolarHBondContact O-N 2.95Å; R956-S959 PolarHBondContact NH2-OG 3.38Å; R956-S959 CarbonylContact O-C 3.24Å; R956-S959 WeakPolarHBondContact O-CA 3.46Å; R956-S959 VanDerWaalsContact O-CB 3.31Å; R956-S959 WeakPolarHBondContact O-CB 3.5Å; R956-S959 PolarHBondContact O-N 3.46Å; R956-S959 VanDerWaalsContact O-N 3.12Å; I957-S959 VanDerWaalsContact C-N 3.34Å; S959-A963 WeakPolarHBondContact O-CA 3.17Å; S959-A963 WeakPolarHBondContact O-CB 3.1Å; S959-A963 PolarHBondContact O-N 3.35Å
960L85.2Confident78.1Confident4 Ų414.8 Ų14.82%0.0217%0.071CC..Hα-helixtrans-69.2-49.5177.5-71.2173.9000111.3L939 E942 V943 F946 R956 I957 I958 T962 A963 L968 L1370L939-L960 HydrophobicContact CD1-CD2 3.77Å; E942-L960 HydrophobicContact CB-CD2 3.76Å; V943-L960 HydrophobicContact CG2-CD2 3.62Å; F946-L960 HydrophobicContact CB-CD1 3.98Å; F946-L960 HydrophobicContact CD1-CD1 4.19Å; F946-L960 HydrophobicContact CD2-CD1 4.22Å; F946-L960 HydrophobicContact CG-CD1 3.84Å; R956-L960 WeakPolarHBondContact O-CB 3.39Å; R956-L960 VanDerWaalsContact O-CG 3.31Å; R956-L960 WeakPolarHBondContact O-CG 3.33Å; R956-L960 PolarHBondContact O-N 3.21Å; I957-L960 PolarHBondContact O-N 3.44Å; I958-L960 VanDerWaalsContact C-N 3.29Å; I958-L960 PolarHBondContact O-N 2.87Å; L960-T962 VanDerWaalsContact C-N 3.31Å; L960-T962 PolarHBondContact O-N 2.95Å; L960-A963 VanDerWaalsContact O-CB 3.22Å; L960-A963 WeakPolarHBondContact O-CB 3.2Å; L960-A963 PolarHBondContact O-N 3.12Å; L960-L968 HydrophobicContact CB-CD2 4.32Å; L960-L1370 HydrophobicContact CD1-CD1 4.4Å
961L83.6Confident78.6Confident1 Ų115.4 Ų15.41%0.0057%0.074CC..Hα-helixtrans-66.8-32.2-178.5-72177.7000113.2I957 I958 Y966 I1000 I1003 L1004 M1366I957-L961 HydrophobicContact CG2-CD1 3.98Å; I957-L961 HydrophobicContact CG2-CG 4.45Å; I957-L961 WeakPolarHBondContact O-CB 3.15Å; I957-L961 WeakPolarHBondContact O-CG 3.33Å; I957-L961 PolarHBondContact O-N 2.91Å; I958-L961 PolarHBondContact O-N 3.26Å; L961-Y966 VanDerWaalsContact O-CA 3.24Å; L961-Y966 WeakPolarHBondContact O-CA 3.48Å; L961-Y966 WeakPolarHBondContact O-CB 3.26Å; L961-I1000 HydrophobicContact CD2-CG1 4.37Å; L961-I1003 HydrophobicContact CD1-CD1 4.15Å; L961-I1003 HydrophobicContact CD1-CG2 4.01Å; L961-L1004 HydrophobicContact CB-CD2 4.38Å; L961-M1366 HydrophobicContact CD1-CE 4.28Å; L961-M1366 HydrophobicContact CD1-CG 4.47Å; L961-M1366 HydrophobicContact CD2-CE 3.94Å
962T78.4Confident78.9Confident5 Ų515.3 Ų15.33%0.0317%0.074CC..THydrogen-bonded Turntrans-91.6-5.3178.162.60000112.8I958 L960 W964 N965 Y966 L1004 I1007 Y1010I958-T962 HydrophobicContact CG2-CG2 3.94Å; I958-T962 VanDerWaalsContact O-CB 3.28Å; I958-T962 WeakPolarHBondContact O-CB 3.36Å; I958-T962 VanDerWaalsContact O-CG2 3.25Å; I958-T962 WeakPolarHBondContact O-CG2 3.33Å; I958-T962 PolarHBondContact O-N 3.24Å; I958-T962 PolarHBondContact O-OG1 3.34Å; L960-T962 VanDerWaalsContact C-N 3.31Å; L960-T962 PolarHBondContact O-N 2.95Å; T962-W964 PolarHBondContact O-N 2.79Å; T962-N965 PolarHBondContact O-N 2.92Å; T962-Y966 PolarHBondContact O-N 2.91Å; T962-L1004 HydrophobicContact CG2-CD2 3.92Å; T962-I1007 HydrophobicContact CG2-CD1 3.88Å; T962-Y1010 HydrophobicContact CG2-CD2 3.93Å; T962-Y1010 HydrophobicContact CG2-CE2 3.35Å
963A76Confident79.3Confident1 Ų114.9 Ų14.91%0.0087%0.072CC..Hα-helixtrans-55.2137.8179.400000110.9L939 S959 L960 N965 Y966 K967L939-A963 HydrophobicContact CD1-CB 3.35Å; L939-A963 HydrophobicContact CD2-CB 4.24Å; L939-A963 HydrophobicContact CG-CB 4.34Å; S959-A963 WeakPolarHBondContact O-CA 3.17Å; S959-A963 WeakPolarHBondContact O-CB 3.1Å; S959-A963 PolarHBondContact O-N 3.35Å; L960-A963 VanDerWaalsContact O-CB 3.22Å; L960-A963 WeakPolarHBondContact O-CB 3.2Å; L960-A963 PolarHBondContact O-N 3.12Å; A963-N965 PolarHBondContact O-N 3.41Å; A963-Y966 PolarHBondContact O-N 2.83Å; A963-Y966 VanDerWaalsContact O-N 3.11Å; A963-K967 PolarHBondContact O-N 3.41Å
964W70.5Confident79.4Confident46 Ų4617 Ų1717%0.1748%0.081CC..Hα-helixtrans58.733.7178.5-56.4-9.3000114.1R935 Q936 L939 T962 K967R935-W964 HydrophobicContact CB-CZ2 4.16Å; R935-W964 PolarHBondContact O-NE1 3.05Å; Q936-W964 HydrophobicContact CB-CH2 3.78Å; Q936-W964 HydrophobicContact CB-CZ2 3.4Å; Q936-W964 HydrophobicContact CG-CH2 3.72Å; Q936-W964 HydrophobicContact CG-CZ2 3.82Å; Q936-W964 VanDerWaalsContact N-CZ2 3.34Å; L939-W964 HydrophobicContact CD2-CD2 3.98Å; L939-W964 HydrophobicContact CD2-CE3 4.06Å; L939-W964 HydrophobicContact CD2-CZ3 4.32Å; T962-W964 PolarHBondContact O-N 2.79Å; W964-K967 HydrophobicContact CB-CB 3.77Å; W964-K967 HydrophobicContact CE3-CB 4.22Å; W964-K967 HydrophobicContact CE3-CD 3.9Å; W964-K967 HydrophobicContact CE3-CG 4.3Å; W964-K967 HydrophobicContact CZ3-CD 4.43Å
965N73.7Confident79.5Confident72 Ų7216.7 Ų16.739%0.3858%0.079SC..Hα-helixtrans58.661.9-170.7-164.238.1000109.4T962 A963 K967 Y1010T962-N965 PolarHBondContact O-N 2.92Å; A963-N965 PolarHBondContact O-N 3.41Å; N965-K967 PolarHBondContact O-N 2.88Å; N965-Y1010 WeakPolarHBondContact OD1-CD1 3.33Å; N965-Y1010 VanDerWaalsContact OD1-CE1 3.23Å; N965-Y1010 WeakPolarHBondContact OD1-CE1 3.28Å
966Y79.7Confident79.2Confident3 Ų316.7 Ų16.71%0.0128%0.079CC..Hα-helixtrans52.717.7179.254.7-104.3000117.4L961 T962 A963 L968 G969 L970 Y1010 D1012 F1013 K1016L961-Y966 VanDerWaalsContact O-CA 3.24Å; L961-Y966 WeakPolarHBondContact O-CA 3.48Å; L961-Y966 WeakPolarHBondContact O-CB 3.26Å; T962-Y966 PolarHBondContact O-N 2.91Å; A963-Y966 PolarHBondContact O-N 2.83Å; A963-Y966 VanDerWaalsContact O-N 3.11Å; Y966-L968 VanDerWaalsContact C-N 3.25Å; Y966-L968 PolarHBondContact O-N 3.48Å; Y966-G969 WeakPolarHBondContact O-CA 3.39Å; Y966-G969 PolarHBondContact O-N 3.26Å; Y966-G969 VanDerWaalsContact O-N 3.07Å; Y966-L970 HydrophobicContact CD2-CD1 3.68Å; Y966-L970 HydrophobicContact CD2-CG 4.01Å; Y966-L970 HydrophobicContact CE2-CD1 3.76Å; Y966-L970 HydrophobicContact CE2-CG 4.49Å; Y966-L970 PolarHBondContact O-N 3.1Å; Y966-Y1010 AromaticContact CD1-CD1 3.42Å; Y966-Y1010 HydrophobicContact CD1-CD1 3.42Å; Y966-Y1010 VanDerWaalsContact CD1-CD1 3.42Å; Y966-Y1010 HydrophobicContact CD1-CE1 4.02Å; Y966-Y1010 AromaticContact CD1-CG 3.82Å; Y966-Y1010 HydrophobicContact CD1-CG 3.82Å; Y966-Y1010 AromaticContact CE1-CD1 3.54Å; Y966-Y1010 HydrophobicContact CE1-CD1 3.54Å; Y966-Y1010 HydrophobicContact CE1-CE1 4.28Å; Y966-Y1010 HydrophobicContact CE1-CG 4.18Å; Y966-D1012 WeakPolarHBondContact CE1-OD1 3.34Å; Y966-D1012 PolarHBondContact OH-OD1 3.42Å; Y966-D1012 PolarHBondContact OH-OD2 3.09Å; Y966-F1013 HydrophobicContact CD1-CB 4.25Å; Y966-F1013 HydrophobicContact CD1-CD2 4.21Å; Y966-F1013 AromaticContact CD2-CD2 3.42Å; Y966-F1013 HydrophobicContact CD2-CD2 3.42Å; Y966-F1013 VanDerWaalsContact CD2-CD2 3.42Å; Y966-F1013 HydrophobicContact CD2-CE2 4.04Å; Y966-F1013 HydrophobicContact CD2-CG 4.46Å; Y966-F1013 HydrophobicContact CE1-CB 4.25Å; Y966-F1013 HydrophobicContact CE2-CD2 4.01Å; Y966-F1013 HydrophobicContact CG-CB 4.44Å; Y966-F1013 AromaticContact CG-CD2 3.56Å; Y966-F1013 HydrophobicContact CG-CD2 3.56Å; Y966-F1013 HydrophobicContact CG-CE2 4.25Å; Y966-F1013 HydrophobicContact CG-CG 4.36Å; Y966-K1016 HydrophobicContact CE2-CD 3.86Å; Y966-K1016 VanDerWaalsContact OH-CD 3.29Å; Y966-K1016 WeakPolarHBondContact OH-CD 3.43Å; Y966-K1016 WeakPolarHBondContact OH-CE 3.01Å; Y966-K1016 PolarHBondContact OH-NZ 3.22Å
967K79.8Confident78.3Confident83 Ų8316.8 Ų16.836%0.3618%0.079SC..Hα-helixtrans-59.8-35.6179-171.3175.6175.5-172.20112.1A963 W964 N965 L970 L971A963-K967 PolarHBondContact O-N 3.41Å; W964-K967 HydrophobicContact CB-CB 3.77Å; W964-K967 HydrophobicContact CE3-CB 4.22Å; W964-K967 HydrophobicContact CE3-CD 3.9Å; W964-K967 HydrophobicContact CE3-CG 4.3Å; W964-K967 HydrophobicContact CZ3-CD 4.43Å; N965-K967 PolarHBondContact O-N 2.88Å; K967-L970 PolarHBondContact O-N 3.1Å; K967-L971 HydrophobicContact CG-CD1 4.35Å; K967-L971 VanDerWaalsContact O-CG 3.31Å; K967-L971 WeakPolarHBondContact O-CG 3.46Å; K967-L971 PolarHBondContact O-N 2.96Å
968L81.9Confident77Confident2 Ų220.5 Ų20.51%0.0111%0.11CC..Hα-helixtrans-64.8-44.5174.8-178.261.3000111.4L939 L960 Y966 L970 L971 I972 I1377 I1381L939-L968 HydrophobicContact CD1-CD2 4.1Å; L939-L968 HydrophobicContact CD2-CB 4.29Å; L939-L968 HydrophobicContact CD2-CD2 4.33Å; L960-L968 HydrophobicContact CB-CD2 4.32Å; Y966-L968 VanDerWaalsContact C-N 3.25Å; Y966-L968 PolarHBondContact O-N 3.48Å; L968-L970 VanDerWaalsContact C-N 3.3Å; L968-L970 PolarHBondContact O-N 3.35Å; L968-L971 PolarHBondContact O-N 3.48Å; L968-I972 HydrophobicContact CD1-CD1 4.42Å; L968-I972 HydrophobicContact CD1-CG1 4.44Å; L968-I972 HydrophobicContact CG-CD1 4.1Å; L968-I972 WeakPolarHBondContact O-CG1 2.98Å; L968-I972 PolarHBondContact O-N 2.81Å; L968-I1377 HydrophobicContact CD1-CG2 4.28Å; L968-I1377 HydrophobicContact CD2-CG2 4.34Å; L968-I1381 HydrophobicContact CD1-CD1 4.3Å; L968-I1381 HydrophobicContact CD1-CG1 3.89Å
969G83.4Confident75.5Confident0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-56.1-45.8173.900000111.6Y966 I972 L973Y966-G969 WeakPolarHBondContact O-CA 3.39Å; Y966-G969 PolarHBondContact O-N 3.26Å; Y966-G969 VanDerWaalsContact O-N 3.07Å; G969-I972 PolarHBondContact O-N 2.79Å; G969-L973 WeakPolarHBondContact O-CG 3.49Å; G969-L973 PolarHBondContact O-N 3.47Å; G969-L973 VanDerWaalsContact O-N 3.09Å
970L81.9Confident74Confident13 Ų1327.3 Ų27.37%0.06815%0.146CC..Hα-helixtrans-61.4-45.7174.7-72.9170.3000112.6Y966 K967 L968 I972 L973 E974 F1013 V1017 L1020Y966-L970 HydrophobicContact CD2-CD1 3.68Å; Y966-L970 HydrophobicContact CD2-CG 4.01Å; Y966-L970 HydrophobicContact CE2-CD1 3.76Å; Y966-L970 HydrophobicContact CE2-CG 4.49Å; Y966-L970 PolarHBondContact O-N 3.1Å; K967-L970 PolarHBondContact O-N 3.1Å; L968-L970 VanDerWaalsContact C-N 3.3Å; L968-L970 PolarHBondContact O-N 3.35Å; L970-I972 VanDerWaalsContact C-N 3.32Å; L970-I972 PolarHBondContact O-N 3.26Å; L970-L973 CarbonylContact O-C 3.6Å; L970-L973 PolarHBondContact O-N 2.77Å; L970-L973 VanDerWaalsContact O-N 3.13Å; L970-E974 WeakPolarHBondContact O-CB 3.39Å; L970-E974 WeakPolarHBondContact O-CG 3.18Å; L970-E974 PolarHBondContact O-N 3.28Å; L970-F1013 HydrophobicContact CD2-CD2 4.37Å; L970-F1013 HydrophobicContact CD2-CE2 3.85Å; L970-F1013 HydrophobicContact CG-CD2 4.48Å; L970-F1013 HydrophobicContact CG-CE2 3.99Å; L970-V1017 HydrophobicContact CD2-CG2 3.72Å; L970-L1020 HydrophobicContact CD1-CD1 4.04Å; L970-L1020 HydrophobicContact CD2-CD1 4.39Å
971L80.5Confident72.3Confident15 Ų1530.5 Ų30.58%0.07917%0.168CC..Hα-helixtrans-62.5-37.5178.6-73.5170.8000112.7K967 L968 S975 Q1384K967-L971 HydrophobicContact CG-CD1 4.35Å; K967-L971 VanDerWaalsContact O-CG 3.31Å; K967-L971 WeakPolarHBondContact O-CG 3.46Å; K967-L971 PolarHBondContact O-N 2.96Å; L968-L971 PolarHBondContact O-N 3.48Å; L971-S975 VanDerWaalsContact O-CB 3.25Å; L971-S975 WeakPolarHBondContact O-CB 3.16Å; L971-S975 PolarHBondContact O-N 3.07Å; L971-S975 PolarHBondContact O-OG 2.77Å; L971-Q1384 HydrophobicContact CD1-CG 3.93Å
972I82.4Confident70.9Confident0 Ų033.7 Ų33.70%019%0.188CC..Hα-helixtrans-62.4-46173.8-68.5167.8000109.5L968 G969 L970 S975 L976 L996 I1000 L1370 W1376 L1380L968-I972 HydrophobicContact CD1-CD1 4.42Å; L968-I972 HydrophobicContact CD1-CG1 4.44Å; L968-I972 HydrophobicContact CG-CD1 4.1Å; L968-I972 WeakPolarHBondContact O-CG1 2.98Å; L968-I972 PolarHBondContact O-N 2.81Å; G969-I972 PolarHBondContact O-N 2.79Å; L970-I972 VanDerWaalsContact C-N 3.32Å; L970-I972 PolarHBondContact O-N 3.26Å; I972-S975 PolarHBondContact O-OG 3.08Å; I972-L976 HydrophobicContact CG2-CD1 4.22Å; I972-L976 VanDerWaalsContact O-CD1 3.31Å; I972-L976 WeakPolarHBondContact O-CD1 3.49Å; I972-L976 WeakPolarHBondContact O-CG 3.26Å; I972-L976 PolarHBondContact O-N 2.63Å; I972-L996 HydrophobicContact CG2-CD2 4.32Å; I972-I1000 HydrophobicContact CB-CD1 4.4Å; I972-I1000 HydrophobicContact CG2-CD1 3.76Å; I972-L1370 HydrophobicContact CD1-CD2 4.42Å; I972-W1376 HydrophobicContact CG1-CZ3 4.36Å; I972-W1376 HydrophobicContact CG2-CH2 4.12Å; I972-W1376 HydrophobicContact CG2-CZ3 4.28Å; I972-L1380 HydrophobicContact CG1-CD1 4.48Å
973L79.2Confident69.8Low0 Ų040.2 Ų40.20%022%0.222CC..Hα-helixtrans-67-46.6178-62.1-176.5000112G969 L970 S975 L976 Y977 F997 I1000 L1001 F1013 V1017 V1021G969-L973 WeakPolarHBondContact O-CG 3.49Å; G969-L973 PolarHBondContact O-N 3.47Å; G969-L973 VanDerWaalsContact O-N 3.09Å; L970-L973 CarbonylContact O-C 3.6Å; L970-L973 PolarHBondContact O-N 2.77Å; L970-L973 VanDerWaalsContact O-N 3.13Å; L973-S975 PolarHBondContact O-N 2.9Å; L973-L976 PolarHBondContact O-N 3.21Å; L973-Y977 VanDerWaalsContact O-CD2 3.28Å; L973-Y977 WeakPolarHBondContact O-CD2 3.37Å; L973-Y977 PolarHBondContact O-N 3.09Å; L973-F997 HydrophobicContact CB-CE2 4.45Å; L973-F997 HydrophobicContact CD1-CE2 4.22Å; L973-F997 HydrophobicContact CD2-CD2 3.48Å; L973-F997 VanDerWaalsContact CD2-CD2 3.48Å; L973-F997 HydrophobicContact CD2-CE2 3.9Å; L973-F997 HydrophobicContact CD2-CG 4.22Å; L973-F997 HydrophobicContact CG-CD2 4.45Å; L973-F997 HydrophobicContact CG-CE2 4.41Å; L973-I1000 HydrophobicContact CD1-CG2 4.08Å; L973-I1000 HydrophobicContact CD2-CB 4.34Å; L973-I1000 HydrophobicContact CD2-CD1 3.73Å; L973-I1000 HydrophobicContact CD2-CG2 4.36Å; L973-I1000 HydrophobicContact CG-CD1 4.32Å; L973-I1000 HydrophobicContact CG-CG2 4.32Å; L973-L1001 HydrophobicContact CD1-CD2 4.28Å; L973-F1013 HydrophobicContact CD1-CZ 3.91Å; L973-V1017 HydrophobicContact CD1-CG1 4.15Å; L973-V1017 HydrophobicContact CD1-CG2 3.86Å; L973-V1021 HydrophobicContact CB-CG2 4.29Å
974E75.7Confident69.1Low57 Ų5745.8 Ų45.827%0.26625%0.251SS..Hα-helixtrans-58.9-45.2177.7-76.2174.7-173.200111.4L970 L976 Y977 A978 V1021L970-E974 WeakPolarHBondContact O-CB 3.39Å; L970-E974 WeakPolarHBondContact O-CG 3.18Å; L970-E974 PolarHBondContact O-N 3.28Å; E974-L976 VanDerWaalsContact C-N 3.29Å; E974-L976 PolarHBondContact O-N 3.49Å; E974-Y977 PolarHBondContact O-N 2.8Å; E974-Y977 VanDerWaalsContact O-N 3.16Å; E974-A978 WeakPolarHBondContact O-CA 3.16Å; E974-A978 WeakPolarHBondContact O-CB 3.03Å; E974-A978 PolarHBondContact O-N 3.06Å; E974-V1021 HydrophobicContact CG-CG2 3.94Å
975S74.1Confident68.8Low10 Ų1044.5 Ų44.57%0.0725%0.247CC..Hα-helixtrans-66.2-29-178.758.20000113.6L971 I972 L973 N979 W1376L971-S975 VanDerWaalsContact O-CB 3.25Å; L971-S975 WeakPolarHBondContact O-CB 3.16Å; L971-S975 PolarHBondContact O-N 3.07Å; L971-S975 PolarHBondContact O-OG 2.77Å; I972-S975 PolarHBondContact O-OG 3.08Å; L973-S975 PolarHBondContact O-N 2.9Å; S975-N979 WeakPolarHBondContact O-CB 3.4Å; S975-W1376 WeakPolarHBondContact OG-CH2 3.28Å; S975-W1376 WeakPolarHBondContact OG-CZ2 3.32Å
976L69.9Low68.6Low12 Ų1244.7 Ų44.76%0.06325%0.251CS..Hα-helixtrans-71.8-30.6174.6-66.9163.9000112.5I972 L973 E974 L996 P1396 F1398I972-L976 HydrophobicContact CG2-CD1 4.22Å; I972-L976 VanDerWaalsContact O-CD1 3.31Å; I972-L976 WeakPolarHBondContact O-CD1 3.49Å; I972-L976 WeakPolarHBondContact O-CG 3.26Å; I972-L976 PolarHBondContact O-N 2.63Å; L973-L976 PolarHBondContact O-N 3.21Å; E974-L976 VanDerWaalsContact C-N 3.29Å; E974-L976 PolarHBondContact O-N 3.49Å; L976-L996 HydrophobicContact CD1-CD2 3.42Å; L976-L996 VanDerWaalsContact CD1-CD2 3.42Å; L976-L996 HydrophobicContact CD1-CG 4.3Å; L976-L996 HydrophobicContact CD2-CD2 4.4Å; L976-P1396 HydrophobicContact CD2-CG 4.5Å; L976-F1398 HydrophobicContact CD2-CE1 3.75Å; L976-F1398 HydrophobicContact CD2-CZ 3.45Å; L976-F1398 VanDerWaalsContact CD2-CZ 3.45Å
977Y63Low68.1Low27 Ų2750.9 Ų50.911%0.10629%0.285CS..Hα-helixtrans-99.8-42.4-177.4-77.7-100.8000113.6L973 E974 F997 V1021 L1044 W1045L973-Y977 VanDerWaalsContact O-CD2 3.28Å; L973-Y977 WeakPolarHBondContact O-CD2 3.37Å; L973-Y977 PolarHBondContact O-N 3.09Å; E974-Y977 PolarHBondContact O-N 2.8Å; E974-Y977 VanDerWaalsContact O-N 3.16Å; Y977-F997 HydrophobicContact CD2-CD2 4.47Å; Y977-F997 HydrophobicContact CD2-CE2 4.28Å; Y977-F997 AromaticContact CE2-CD2 3.36Å; Y977-F997 HydrophobicContact CE2-CD2 3.36Å; Y977-F997 AromaticContact CE2-CE2 3.3Å; Y977-F997 HydrophobicContact CE2-CE2 3.3Å; Y977-F997 HydrophobicContact CE2-CG 4.43Å; Y977-F997 HydrophobicContact CE2-CZ 4.32Å; Y977-F997 AromaticContact CZ-CD2 3.81Å; Y977-F997 AromaticContact CZ-CE2 3.61Å; Y977-F997 WeakPolarHBondContact OH-CD2 3.37Å; Y977-F997 VanDerWaalsContact OH-CE2 3.24Å; Y977-F997 WeakPolarHBondContact OH-CE2 3.48Å; Y977-V1021 HydrophobicContact CD1-CG1 4.19Å; Y977-V1021 HydrophobicContact CD2-CG1 3.73Å; Y977-V1021 HydrophobicContact CE2-CG1 4.18Å; Y977-V1021 HydrophobicContact CG-CG1 3.69Å; Y977-L1044 HydrophobicContact CE1-CB 4.18Å; Y977-L1044 WeakPolarHBondContact OH-CB 3.46Å; Y977-W1045 PolarHBondContact OH-N 2.95Å
978A54.6Low67.6Low78 Ų7854.4 Ų54.465%0.64530%0.3SS*.Hα-helixtrans-72.6-33.9-17600000112.5E974E974-A978 WeakPolarHBondContact O-CA 3.16Å; E974-A978 WeakPolarHBondContact O-CB 3.03Å; E974-A978 PolarHBondContact O-N 3.06Å
979N50.1Low67.2Low113 Ų11356.4 Ų56.460%0.60431%0.309SS*.SBendtrans-100.3-12.9-172.7-64-27.8000114.1S975S975-N979 WeakPolarHBondContact O-CB 3.4Å
980Q50.5Low66.6Low32 Ų3259.7 Ų59.715%0.1532%0.323CS..  trans-128.3104-177.5-60.2-175.71000108.9T982 L985Q980-T982 PolarHBondContact O-N 2.98Å; Q980-L985 VanDerWaalsContact OE1-CD2 3.25Å
981S50Low66.1Low71 Ų7164.8 Ų64.850%0.49735%0.35SS..  trans-51.1119.4156.952.20000106.4D983 I984S981-D983 PolarHBondContact O-N 3.13Å; S981-I984 PolarHBondContact O-N 3.16Å; S981-I984 WeakPolarHBondContact OG-CD1 3.03Å
982T53.2Low65.9Low67 Ų6765.3 Ų65.341%0.41135%0.354SS..G310 helixtrans-50-15.8-177.944.20000113.6Q980 I984 K990Q980-T982 PolarHBondContact O-N 2.98Å; T982-I984 VanDerWaalsContact C-N 3.3Å; T982-I984 PolarHBondContact O-N 3.5Å; T982-K990 WeakPolarHBondContact O-CE 3.39Å; T982-K990 PolarHBondContact O-NZ 3.42Å
983D56.4Low65.6Low142 Ų14265.5 Ų65.576%0.75936%0.355SS*.G310 helixtrans-63.3-21.1172.6-64.3-22.6000115.4S981S981-D983 PolarHBondContact O-N 3.13Å
984I60.3Low65.5Low118 Ų11866.6 Ų66.661%0.60536%0.36SS*.G310 helixtrans-86.7-25.8-176.9-58.5171.1000112.5S981 T982S981-I984 PolarHBondContact O-N 3.16Å; S981-I984 WeakPolarHBondContact OG-CD1 3.03Å; T982-I984 VanDerWaalsContact C-N 3.3Å; T982-I984 PolarHBondContact O-N 3.5Å
985L65.6Low65.6Low19 Ų1967 Ų6710%0.09936%0.362CS..SBendtrans-75.6134.2-175.2-70.7172.2000111.8Q980 E989 K990 A993 F1398Q980-L985 VanDerWaalsContact OE1-CD2 3.25Å; L985-E989 HydrophobicContact CB-CB 4.34Å; L985-E989 HydrophobicContact CD2-CB 3.88Å; L985-K990 HydrophobicContact CB-CG 3.74Å; L985-K990 VanDerWaalsContact O-CE 3.31Å; L985-K990 WeakPolarHBondContact O-CE 3.3Å; L985-A993 HydrophobicContact CD1-CB 4.49Å; L985-F1398 HydrophobicContact CD2-CD2 4.06Å; L985-F1398 HydrophobicContact CD2-CE2 3.66Å; L985-F1398 HydrophobicContact CD2-CZ 4.39Å
986T67.8Low66.1Low77 Ų7766.6 Ų66.647%0.47236%0.359SS..  trans-67.2156.817164.70000110.8K988 E989 K990T986-K988 PolarHBondContact O-N 3.49Å; T986-K988 VanDerWaalsContact O-N 3.11Å; T986-E989 WeakPolarHBondContact CB-OE2 3.47Å; T986-E989 PolarHBondContact N-OE2 3.18Å; T986-E989 PolarHBondContact O-N 3.13Å; T986-E989 WeakPolarHBondContact OG1-CG 3.38Å; T986-E989 PolarHBondContact OG1-OE2 3.32Å; T986-K990 PolarHBondContact O-N 3.46Å
987N69.4Low66.6Low133 Ų13366 Ų6671%0.71136%0.356SS*.Hα-helixtrans-55.8-33.6-177.2-71.6-6.2000113.7L991N987-L991 PolarHBondContact O-N 3.08Å
988K70.3Confident67.5Low157 Ų15764.8 Ų64.868%0.68335%0.351SS*.Hα-helixtrans-68.4-43.3174.9-72.2-170173.8-1670111.9T986 K990 L991 V992T986-K988 PolarHBondContact O-N 3.49Å; T986-K988 VanDerWaalsContact O-N 3.11Å; K988-K990 VanDerWaalsContact C-N 3.34Å; K988-L991 WeakPolarHBondContact O-CB 3.46Å; K988-L991 PolarHBondContact O-N 2.94Å; K988-V992 PolarHBondContact O-N 2.78Å
989E73.1Confident68.9Low44 Ų4461.1 Ų61.121%0.20632%0.321CS..Hα-helixtrans-68.1-36.7179.3-59.8167.8145.900111.3L985 T986 L991 V992 A993 F1398L985-E989 HydrophobicContact CB-CB 4.34Å; L985-E989 HydrophobicContact CD2-CB 3.88Å; T986-E989 WeakPolarHBondContact CB-OE2 3.47Å; T986-E989 PolarHBondContact N-OE2 3.18Å; T986-E989 PolarHBondContact O-N 3.13Å; T986-E989 WeakPolarHBondContact OG1-CG 3.38Å; T986-E989 PolarHBondContact OG1-OE2 3.32Å; E989-L991 VanDerWaalsContact C-N 3.26Å; E989-L991 PolarHBondContact O-N 3.15Å; E989-V992 PolarHBondContact O-N 3.35Å; E989-A993 WeakPolarHBondContact O-CB 3.39Å; E989-A993 PolarHBondContact O-N 3.21Å; E989-F1398 HydrophobicContact CB-CB 3.92Å; E989-F1398 HydrophobicContact CB-CD2 4.01Å; E989-F1398 HydrophobicContact CB-CG 4.08Å; E989-F1398 HydrophobicContact CG-CB 3.82Å; E989-F1398 HydrophobicContact CG-CD2 4.21Å; E989-F1398 HydrophobicContact CG-CG 4.36Å
990K71.3Confident70.6Confident69 Ų6955.7 Ų55.730%0.329%0.292SS..Hα-helixtrans-56.7-39.9171.7-72.1-176.8176.7-178.50112T982 L985 T986 K988 K994T982-K990 WeakPolarHBondContact O-CE 3.39Å; T982-K990 PolarHBondContact O-NZ 3.42Å; L985-K990 HydrophobicContact CB-CG 3.74Å; L985-K990 VanDerWaalsContact O-CE 3.31Å; L985-K990 WeakPolarHBondContact O-CE 3.3Å; T986-K990 PolarHBondContact O-N 3.46Å; K988-K990 VanDerWaalsContact C-N 3.34Å; K990-K994 VanDerWaalsContact O-CB 3.23Å; K990-K994 WeakPolarHBondContact O-CB 3.14Å; K990-K994 PolarHBondContact O-N 3.44Å
991L71.6Confident72.1Confident119 Ų11954.4 Ų54.462%0.62329%0.286SS*.Hα-helixtrans-66.2-42.2177.4-174.268.8000112N987 K988 E989 K994 Q995N987-L991 PolarHBondContact O-N 3.08Å; K988-L991 WeakPolarHBondContact O-CB 3.46Å; K988-L991 PolarHBondContact O-N 2.94Å; E989-L991 VanDerWaalsContact C-N 3.26Å; E989-L991 PolarHBondContact O-N 3.15Å; L991-K994 WeakPolarHBondContact O-CB 3.42Å; L991-K994 PolarHBondContact O-N 3.05Å; L991-Q995 PolarHBondContact O-N 2.91Å
992V75.6Confident73.6Confident26 Ų2654.4 Ų54.416%0.15828%0.275CS..Hα-helixtrans-70.1-41.3178.6178.80000111K988 E989 K994 Q995 L996 F1365 F1398 L1400K988-V992 PolarHBondContact O-N 2.78Å; E989-V992 PolarHBondContact O-N 3.35Å; V992-K994 VanDerWaalsContact C-N 3.32Å; V992-K994 PolarHBondContact O-N 3.39Å; V992-Q995 PolarHBondContact O-N 2.88Å; V992-L996 WeakPolarHBondContact O-CB 3.08Å; V992-L996 PolarHBondContact O-N 3.45Å; V992-F1365 HydrophobicContact CG1-CE2 4.08Å; V992-F1365 HydrophobicContact CG1-CZ 3.84Å; V992-F1398 HydrophobicContact CB-CB 4.24Å; V992-F1398 HydrophobicContact CB-CD1 4.27Å; V992-F1398 HydrophobicContact CG1-CB 4.24Å; V992-F1398 HydrophobicContact CG1-CD1 4Å; V992-F1398 WeakPolarHBondContact CG2-O 3.4Å; V992-L1400 HydrophobicContact CG1-CD1 3.87Å; V992-L1400 HydrophobicContact CG1-CG 4.33Å
993A76.6Confident75Confident4 Ų451.2 Ų51.23%0.03326%0.255CS..Hα-helixtrans-61.9-39.9173.300000111.7L985 E989 L996 F997 L1044 F1398L985-A993 HydrophobicContact CD1-CB 4.49Å; E989-A993 WeakPolarHBondContact O-CB 3.39Å; E989-A993 PolarHBondContact O-N 3.21Å; A993-L996 PolarHBondContact O-N 3.44Å; A993-F997 WeakPolarHBondContact O-CB 3.48Å; A993-F997 PolarHBondContact O-N 2.99Å; A993-L1044 HydrophobicContact CB-CD1 4.35Å; A993-F1398 HydrophobicContact CB-CD1 4.44Å; A993-F1398 HydrophobicContact CB-CE1 3.91Å; A993-F1398 HydrophobicContact CB-CZ 4.42Å
994K76.2Confident76.3Confident24 Ų2444.4 Ų44.410%0.10422%0.219CC..Hα-helixtrans-59.1-52.4172.1179.6166.8174.1166.20110.8K990 L991 V992 L996 F997 I998 H1039 L1044 D1047K990-K994 VanDerWaalsContact O-CB 3.23Å; K990-K994 WeakPolarHBondContact O-CB 3.14Å; K990-K994 PolarHBondContact O-N 3.44Å; L991-K994 WeakPolarHBondContact O-CB 3.42Å; L991-K994 PolarHBondContact O-N 3.05Å; V992-K994 VanDerWaalsContact C-N 3.32Å; V992-K994 PolarHBondContact O-N 3.39Å; K994-L996 VanDerWaalsContact C-N 3.32Å; K994-L996 PolarHBondContact O-N 3.02Å; K994-F997 PolarHBondContact O-N 3.49Å; K994-I998 HydrophobicContact CG-CD1 3.69Å; K994-I998 WeakPolarHBondContact O-CD1 3.09Å; K994-I998 WeakPolarHBondContact O-CG1 3.06Å; K994-I998 PolarHBondContact O-N 2.62Å; K994-H1039 PolarHBondContact NZ-CE1 3.48Å; K994-H1039 VanDerWaalsContact NZ-CE1 3.31Å; K994-H1039 PolarHBondContact NZ-NE2 2.88Å; K994-L1044 HydrophobicContact CB-CD2 3.65Å; K994-L1044 HydrophobicContact CG-CD2 4.29Å; K994-D1047 HydrophobicContact CD-CB 4.32Å; K994-D1047 VanDerWaalsContact CE-OD2 3.31Å; K994-D1047 WeakPolarHBondContact CE-OD2 3.12Å; K994-D1047 IonicContact NZ-OD1 3.08Å; K994-D1047 PolarHBondContact NZ-OD1 3.39Å; K994-D1047 IonicContact NZ-OD2 2.75Å; K994-D1047 PolarHBondContact NZ-OD2 3.43Å
995Q79.1Confident77.3Confident66 Ų6640 Ų4031%0.30820%0.197SC..Hα-helixtrans-59.4-43.3179.1-173.661.228.700111.6L991 V992 F997 I998 S999 D1362 F1365L991-Q995 PolarHBondContact O-N 2.91Å; V992-Q995 PolarHBondContact O-N 2.88Å; Q995-F997 PolarHBondContact O-N 2.75Å; Q995-I998 PolarHBondContact O-N 2.91Å; Q995-S999 PolarHBondContact NE2-OG 3.1Å; Q995-S999 WeakPolarHBondContact O-CB 3.46Å; Q995-S999 PolarHBondContact O-N 2.82Å; Q995-S999 PolarHBondContact O-OG 3.27Å; Q995-D1362 PolarHBondContact NE2-OD1 3.44Å; Q995-F1365 HydrophobicContact CB-CD2 4.47Å; Q995-F1365 HydrophobicContact CB-CE1 4.48Å; Q995-F1365 HydrophobicContact CB-CE2 3.98Å; Q995-F1365 HydrophobicContact CB-CZ 3.99Å; Q995-F1365 HydrophobicContact CG-CD1 4.15Å; Q995-F1365 HydrophobicContact CG-CD2 3.66Å; Q995-F1365 HydrophobicContact CG-CE1 4.21Å; Q995-F1365 HydrophobicContact CG-CE2 3.67Å; Q995-F1365 HydrophobicContact CG-CG 3.9Å; Q995-F1365 HydrophobicContact CG-CZ 3.96Å
996L83Confident77.9Confident0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-59.2-47.5176.617868.4000112.7I972 L976 V992 A993 K994 I998 S999 I1000 F1365 M1366 F1369I972-L996 HydrophobicContact CG2-CD2 4.32Å; L976-L996 HydrophobicContact CD1-CD2 3.42Å; L976-L996 VanDerWaalsContact CD1-CD2 3.42Å; L976-L996 HydrophobicContact CD1-CG 4.3Å; L976-L996 HydrophobicContact CD2-CD2 4.4Å; V992-L996 WeakPolarHBondContact O-CB 3.08Å; V992-L996 PolarHBondContact O-N 3.45Å; A993-L996 PolarHBondContact O-N 3.44Å; K994-L996 VanDerWaalsContact C-N 3.32Å; K994-L996 PolarHBondContact O-N 3.02Å; L996-I998 VanDerWaalsContact C-N 3.33Å; L996-I998 PolarHBondContact O-N 3.5Å; L996-S999 PolarHBondContact O-N 3.33Å; L996-I1000 HydrophobicContact CD1-CD1 3.99Å; L996-I1000 HydrophobicContact CD1-CG1 4.43Å; L996-I1000 HydrophobicContact CG-CD1 4.12Å; L996-I1000 WeakPolarHBondContact O-CG1 3.4Å; L996-I1000 PolarHBondContact O-N 3.42Å; L996-F1365 HydrophobicContact CB-CE1 3.7Å; L996-F1365 HydrophobicContact CB-CZ 4.03Å; L996-F1365 HydrophobicContact CD1-CE1 3.89Å; L996-F1365 HydrophobicContact CG-CE1 4.43Å; L996-M1366 HydrophobicContact CD1-CE 4.01Å; L996-M1366 HydrophobicContact CD1-SD 3.64Å; L996-F1369 HydrophobicContact CD1-CB 4.41Å; L996-F1369 HydrophobicContact CD1-CD1 3.39Å; L996-F1369 HydrophobicContact CD1-CD2 4.16Å; L996-F1369 HydrophobicContact CD1-CE1 3.6Å; L996-F1369 HydrophobicContact CD1-CE2 4.34Å; L996-F1369 HydrophobicContact CD1-CG 3.7Å; L996-F1369 HydrophobicContact CD1-CZ 4.09Å; L996-F1369 HydrophobicContact CD2-CD1 4.2Å; L996-F1369 HydrophobicContact CD2-CD2 4.21Å; L996-F1369 HydrophobicContact CD2-CE1 3.62Å; L996-F1369 HydrophobicContact CD2-CE2 3.63Å; L996-F1369 HydrophobicContact CD2-CG 4.47Å; L996-F1369 HydrophobicContact CD2-CZ 3.3Å; L996-F1369 HydrophobicContact CG-CD1 4.45Å; L996-F1369 HydrophobicContact CG-CE1 4.28Å; L996-F1369 HydrophobicContact CG-CZ 4.34Å
997F81.3Confident78.5Confident1 Ų135.8 Ų35.80%0.00417%0.172CC..Hα-helixtrans-58.5-48.8177.3-165.9-89.1000110.6L973 Y977 A993 K994 Q995 S999 I1000 L1001 V1017 W1045 A1048L973-F997 HydrophobicContact CB-CE2 4.45Å; L973-F997 HydrophobicContact CD1-CE2 4.22Å; L973-F997 HydrophobicContact CD2-CD2 3.48Å; L973-F997 VanDerWaalsContact CD2-CD2 3.48Å; L973-F997 HydrophobicContact CD2-CE2 3.9Å; L973-F997 HydrophobicContact CD2-CG 4.22Å; L973-F997 HydrophobicContact CG-CD2 4.45Å; L973-F997 HydrophobicContact CG-CE2 4.41Å; Y977-F997 HydrophobicContact CD2-CD2 4.47Å; Y977-F997 HydrophobicContact CD2-CE2 4.28Å; Y977-F997 AromaticContact CE2-CD2 3.36Å; Y977-F997 HydrophobicContact CE2-CD2 3.36Å; Y977-F997 AromaticContact CE2-CE2 3.3Å; Y977-F997 HydrophobicContact CE2-CE2 3.3Å; Y977-F997 HydrophobicContact CE2-CG 4.43Å; Y977-F997 HydrophobicContact CE2-CZ 4.32Å; Y977-F997 AromaticContact CZ-CD2 3.81Å; Y977-F997 AromaticContact CZ-CE2 3.61Å; Y977-F997 WeakPolarHBondContact OH-CD2 3.37Å; Y977-F997 VanDerWaalsContact OH-CE2 3.24Å; Y977-F997 WeakPolarHBondContact OH-CE2 3.48Å; A993-F997 WeakPolarHBondContact O-CB 3.48Å; A993-F997 PolarHBondContact O-N 2.99Å; K994-F997 PolarHBondContact O-N 3.49Å; Q995-F997 PolarHBondContact O-N 2.75Å; F997-S999 PolarHBondContact O-N 3.13Å; F997-I1000 PolarHBondContact O-N 3.22Å; F997-L1001 HydrophobicContact CD1-CD1 3.86Å; F997-L1001 HydrophobicContact CD1-CG 4.12Å; F997-L1001 HydrophobicContact CE1-CD1 3.46Å; F997-L1001 VanDerWaalsContact CE1-CD1 3.46Å; F997-L1001 HydrophobicContact CE1-CG 4.01Å; F997-L1001 HydrophobicContact CZ-CD1 4.33Å; F997-L1001 WeakPolarHBondContact O-CG 3.22Å; F997-L1001 PolarHBondContact O-N 3.34Å; F997-L1001 VanDerWaalsContact O-N 3.08Å; F997-V1017 HydrophobicContact CZ-CG1 4.09Å; F997-W1045 HydrophobicContact CE1-CB 4.01Å; F997-W1045 HydrophobicContact CZ-CB 3.85Å; F997-A1048 HydrophobicContact CD1-CB 3.32Å; F997-A1048 HydrophobicContact CE1-CB 3.63Å
998I81.2Confident78.5Confident1 Ų132.8 Ų32.81%0.00516%0.16CC..Hα-helixtrans-62-45.3178.9-70.5153.9000111.7K994 Q995 L996 I1000 L1001 R1002 A1048 Q1051K994-I998 HydrophobicContact CG-CD1 3.69Å; K994-I998 WeakPolarHBondContact O-CD1 3.09Å; K994-I998 WeakPolarHBondContact O-CG1 3.06Å; K994-I998 PolarHBondContact O-N 2.62Å; Q995-I998 PolarHBondContact O-N 2.91Å; L996-I998 VanDerWaalsContact C-N 3.33Å; L996-I998 PolarHBondContact O-N 3.5Å; I998-I1000 PolarHBondContact O-N 2.85Å; I998-L1001 PolarHBondContact O-N 2.85Å; I998-R1002 HydrophobicContact CG2-CG 4.29Å; I998-R1002 WeakPolarHBondContact O-CB 3.33Å; I998-R1002 WeakPolarHBondContact O-CG 3.42Å; I998-R1002 PolarHBondContact O-N 3.42Å; I998-A1048 HydrophobicContact CG1-CB 3.66Å; I998-Q1051 HydrophobicContact CD1-CB 4.48Å; I998-Q1051 HydrophobicContact CD1-CG 4.22Å; I998-Q1051 VanDerWaalsContact CD1-NE2 3.32Å; I998-Q1051 VanDerWaalsContact CD1-OE1 3.25Å
999S83.4Confident78.6Confident0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-61.7-44.7-179-66.90000111.5Q995 L996 F997 L1001 R1002 I1003 D1362Q995-S999 PolarHBondContact NE2-OG 3.1Å; Q995-S999 WeakPolarHBondContact O-CB 3.46Å; Q995-S999 PolarHBondContact O-N 2.82Å; Q995-S999 PolarHBondContact O-OG 3.27Å; L996-S999 PolarHBondContact O-N 3.33Å; F997-S999 PolarHBondContact O-N 3.13Å; S999-L1001 PolarHBondContact O-N 3.03Å; S999-R1002 PolarHBondContact O-N 2.92Å; S999-I1003 WeakPolarHBondContact O-CB 3.41Å; S999-I1003 WeakPolarHBondContact O-CD1 3.41Å; S999-I1003 WeakPolarHBondContact O-CG1 3.4Å; S999-I1003 PolarHBondContact O-N 3.1Å; S999-D1362 WeakPolarHBondContact CA-OD1 3.5Å; S999-D1362 WeakPolarHBondContact CB-OD1 3.48Å; S999-D1362 PolarHBondContact OG-OD1 3.48Å
1000I86Confident78.8Confident0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-62.3-45.4176.2-67.5170.4000110.8L961 I972 L973 L996 F997 I998 L1004 F1013 M1366L961-I1000 HydrophobicContact CD2-CG1 4.37Å; I972-I1000 HydrophobicContact CB-CD1 4.4Å; I972-I1000 HydrophobicContact CG2-CD1 3.76Å; L973-I1000 HydrophobicContact CD1-CG2 4.08Å; L973-I1000 HydrophobicContact CD2-CB 4.34Å; L973-I1000 HydrophobicContact CD2-CD1 3.73Å; L973-I1000 HydrophobicContact CD2-CG2 4.36Å; L973-I1000 HydrophobicContact CG-CD1 4.32Å; L973-I1000 HydrophobicContact CG-CG2 4.32Å; L996-I1000 HydrophobicContact CD1-CD1 3.99Å; L996-I1000 HydrophobicContact CD1-CG1 4.43Å; L996-I1000 HydrophobicContact CG-CD1 4.12Å; L996-I1000 WeakPolarHBondContact O-CG1 3.4Å; L996-I1000 PolarHBondContact O-N 3.42Å; F997-I1000 PolarHBondContact O-N 3.22Å; I998-I1000 PolarHBondContact O-N 2.85Å; I1000-L1004 HydrophobicContact CG2-CD1 3.91Å; I1000-L1004 WeakPolarHBondContact O-CB 3.34Å; I1000-L1004 PolarHBondContact O-N 3.35Å; I1000-L1004 VanDerWaalsContact O-N 3.08Å; I1000-F1013 HydrophobicContact CG2-CE1 4.28Å; I1000-F1013 HydrophobicContact CG2-CZ 3.89Å; I1000-M1366 HydrophobicContact CD1-CE 4.37Å; I1000-M1366 HydrophobicContact CG1-CE 4Å; I1000-M1366 HydrophobicContact CG1-SD 3.81Å
1001L82.8Confident78.8Confident4 Ų427.4 Ų27.42%0.02114%0.14CC..Hα-helixtrans-62.2-47.1179-68.6-163.5000112.3L973 F997 I998 S999 D1005 F1013 L1014 V1017 A1048 L1052L973-L1001 HydrophobicContact CD1-CD2 4.28Å; F997-L1001 HydrophobicContact CD1-CD1 3.86Å; F997-L1001 HydrophobicContact CD1-CG 4.12Å; F997-L1001 HydrophobicContact CE1-CD1 3.46Å; F997-L1001 VanDerWaalsContact CE1-CD1 3.46Å; F997-L1001 HydrophobicContact CE1-CG 4.01Å; F997-L1001 HydrophobicContact CZ-CD1 4.33Å; F997-L1001 WeakPolarHBondContact O-CG 3.22Å; F997-L1001 PolarHBondContact O-N 3.34Å; F997-L1001 VanDerWaalsContact O-N 3.08Å; I998-L1001 PolarHBondContact O-N 2.85Å; S999-L1001 PolarHBondContact O-N 3.03Å; L1001-D1005 WeakPolarHBondContact O-CB 3.45Å; L1001-D1005 PolarHBondContact O-N 3.24Å; L1001-F1013 HydrophobicContact CD2-CD1 4.49Å; L1001-F1013 HydrophobicContact CD2-CE1 3.61Å; L1001-F1013 HydrophobicContact CD2-CZ 4.27Å; L1001-L1014 HydrophobicContact CB-CD2 4.23Å; L1001-L1014 HydrophobicContact CD1-CD2 3.84Å; L1001-L1014 HydrophobicContact CD2-CD2 3.56Å; L1001-L1014 HydrophobicContact CG-CD2 4.07Å; L1001-V1017 HydrophobicContact CD2-CG1 4.37Å; L1001-V1017 HydrophobicContact CD2-CG2 4.2Å; L1001-A1048 HydrophobicContact CD1-CB 4.03Å; L1001-L1052 HydrophobicContact CB-CD1 4.21Å; L1001-L1052 HydrophobicContact CD1-CD1 3.91Å
1002R81.4Confident79.1Confident71 Ų7122.4 Ų22.427%0.26812%0.115SC..Hα-helixtrans-65.8-41-179.2-76.7-177.9174.8171.21.1112.7I998 S999 A1006 Q1051 L1052 A1359 D1362I998-R1002 HydrophobicContact CG2-CG 4.29Å; I998-R1002 WeakPolarHBondContact O-CB 3.33Å; I998-R1002 WeakPolarHBondContact O-CG 3.42Å; I998-R1002 PolarHBondContact O-N 3.42Å; S999-R1002 PolarHBondContact O-N 2.92Å; R1002-A1006 VanDerWaalsContact O-CB 3.31Å; R1002-A1006 WeakPolarHBondContact O-CB 3.43Å; R1002-A1006 PolarHBondContact O-N 2.72Å; R1002-A1006 VanDerWaalsContact O-N 3.1Å; R1002-Q1051 PolarHBondContact NH2-O 3.22Å; R1002-L1052 HydrophobicContact CG-CD2 3.62Å; R1002-A1359 HydrophobicContact CB-CB 4.08Å; R1002-D1362 VanDerWaalsContact CD-OD2 3.28Å; R1002-D1362 WeakPolarHBondContact CD-OD2 3.44Å; R1002-D1362 IonicContact NH1-OD2 3.21Å
1003I82.7Confident79.3Confident0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-64.4-48.6178.7-69.3165.1000110.2L961 S999 A1006 V1355 A1359 D1362 L1363 M1366L961-I1003 HydrophobicContact CD1-CD1 4.15Å; L961-I1003 HydrophobicContact CD1-CG2 4.01Å; S999-I1003 WeakPolarHBondContact O-CB 3.41Å; S999-I1003 WeakPolarHBondContact O-CD1 3.41Å; S999-I1003 WeakPolarHBondContact O-CG1 3.4Å; S999-I1003 PolarHBondContact O-N 3.1Å; I1003-A1006 PolarHBondContact O-N 2.98Å; I1003-V1355 HydrophobicContact CB-CG1 4.29Å; I1003-V1355 HydrophobicContact CG1-CG1 3.95Å; I1003-V1355 HydrophobicContact CG2-CG1 3.99Å; I1003-V1355 HydrophobicContact CG2-CG2 4.1Å; I1003-A1359 HydrophobicContact CG1-CB 4.17Å; I1003-D1362 HydrophobicContact CD1-CB 4.04Å; I1003-D1362 HydrophobicContact CG1-CB 4.07Å; I1003-L1363 HydrophobicContact CD1-CD2 4Å; I1003-L1363 HydrophobicContact CD1-CG 4.35Å; I1003-L1363 HydrophobicContact CG1-CD2 4.42Å; I1003-M1366 HydrophobicContact CD1-CB 4.43Å; I1003-M1366 HydrophobicContact CD1-CG 3.52Å
1004L83.2Confident79.4Confident0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-76-33.5-176.5-68.7174000112.8L961 T962 I1000 A1006 I1007 F1013L961-L1004 HydrophobicContact CB-CD2 4.38Å; T962-L1004 HydrophobicContact CG2-CD2 3.92Å; I1000-L1004 HydrophobicContact CG2-CD1 3.91Å; I1000-L1004 WeakPolarHBondContact O-CB 3.34Å; I1000-L1004 PolarHBondContact O-N 3.35Å; I1000-L1004 VanDerWaalsContact O-N 3.08Å; L1004-A1006 VanDerWaalsContact C-N 3.28Å; L1004-A1006 PolarHBondContact O-N 3.43Å; L1004-I1007 HydrophobicContact CD2-CD1 4.3Å; L1004-I1007 PolarHBondContact O-N 3.41Å; L1004-I1007 VanDerWaalsContact O-N 3.16Å; L1004-F1013 HydrophobicContact CB-CD1 3.51Å; L1004-F1013 HydrophobicContact CB-CE1 3.77Å; L1004-F1013 HydrophobicContact CB-CG 4.06Å; L1004-F1013 HydrophobicContact CB-CZ 4.49Å; L1004-F1013 HydrophobicContact CD1-CD1 3.8Å; L1004-F1013 HydrophobicContact CD1-CD2 3.86Å; L1004-F1013 HydrophobicContact CD1-CE1 3.46Å; L1004-F1013 VanDerWaalsContact CD1-CE1 3.46Å; L1004-F1013 HydrophobicContact CD1-CE2 3.52Å; L1004-F1013 HydrophobicContact CD1-CG 3.99Å; L1004-F1013 HydrophobicContact CD1-CZ 3.31Å; L1004-F1013 HydrophobicContact CG-CD1 4.31Å; L1004-F1013 HydrophobicContact CG-CE1 4.22Å; L1004-F1013 HydrophobicContact CG-CZ 4.5Å
1005D80.8Confident79.5Confident26 Ų2620.1 Ų20.114%0.13910%0.102CC..Hα-helixtrans-67.7-27.7173.4-175.261.3000112.9L1001 I1007 L1014 S1211L1001-D1005 WeakPolarHBondContact O-CB 3.45Å; L1001-D1005 PolarHBondContact O-N 3.24Å; D1005-I1007 PolarHBondContact O-N 3.31Å; D1005-L1014 HydrophobicContact CB-CD1 3.91Å; D1005-L1014 VanDerWaalsContact OD1-CD1 3.25Å; D1005-L1014 WeakPolarHBondContact OD1-CD1 3.35Å; D1005-S1211 WeakPolarHBondContact OD1-CB 3.26Å; D1005-S1211 PolarHBondContact OD1-OG 3.12Å; D1005-S1211 VanDerWaalsContact OD2-CB 3.3Å; D1005-S1211 WeakPolarHBondContact OD2-CB 3.48Å; D1005-S1211 PolarHBondContact OD2-OG 3.03Å
1006A78.4Confident79.5Confident6 Ų619.9 Ų19.95%0.0510%0.1CC..THydrogen-bonded Turntrans-67.7-20.5173.500000112.7R1002 I1003 L1004 P1008 F1354 V1355 K1358R1002-A1006 VanDerWaalsContact O-CB 3.31Å; R1002-A1006 WeakPolarHBondContact O-CB 3.43Å; R1002-A1006 PolarHBondContact O-N 2.72Å; R1002-A1006 VanDerWaalsContact O-N 3.1Å; I1003-A1006 PolarHBondContact O-N 2.98Å; L1004-A1006 VanDerWaalsContact C-N 3.28Å; L1004-A1006 PolarHBondContact O-N 3.43Å; A1006-P1008 WeakPolarHBondContact O-CD 3.34Å; A1006-F1354 VanDerWaalsContact O-CB 3.29Å; A1006-F1354 WeakPolarHBondContact O-CB 3.4Å; A1006-V1355 HydrophobicContact CB-CG2 4.18Å; A1006-K1358 HydrophobicContact CB-CB 4.27Å; A1006-K1358 HydrophobicContact CB-CD 4.06Å
1007I80.2Confident79.2Confident0 Ų020 Ų200%010%0.101CC..SBendtrans-89.5116.3-177.2-59.8171.5000110.1I958 T962 L1004 D1005 E1009 Y1010 N1351 V1355I958-I1007 HydrophobicContact CG2-CD1 4.3Å; T962-I1007 HydrophobicContact CG2-CD1 3.88Å; L1004-I1007 HydrophobicContact CD2-CD1 4.3Å; L1004-I1007 PolarHBondContact O-N 3.41Å; L1004-I1007 VanDerWaalsContact O-N 3.16Å; D1005-I1007 PolarHBondContact O-N 3.31Å; I1007-E1009 HydrophobicContact CG2-CB 4.22Å; I1007-E1009 PolarHBondContact O-N 3.36Å; I1007-Y1010 HydrophobicContact CB-CD2 3.96Å; I1007-Y1010 HydrophobicContact CD1-CD2 4.15Å; I1007-Y1010 HydrophobicContact CD1-CE2 4.48Å; I1007-Y1010 HydrophobicContact CG2-CD2 3.47Å; I1007-Y1010 VanDerWaalsContact CG2-CD2 3.47Å; I1007-Y1010 HydrophobicContact CG2-CE2 3.95Å; I1007-Y1010 HydrophobicContact CG2-CG 4.4Å; I1007-Y1010 PolarHBondContact O-N 3.03Å; I1007-N1351 HydrophobicContact CD1-CB 4.17Å; I1007-N1351 HydrophobicContact CG1-CB 4.14Å; I1007-N1351 HydrophobicContact CG2-CB 4.24Å; I1007-V1355 HydrophobicContact CD1-CG2 4.24Å; I1007-V1355 HydrophobicContact CG1-CG2 3.88Å
1008P69.7Low78.9Confident71 Ų7120 Ų2046%0.46110%0.101SC..G310 helixtrans-60.4-23.9-174.6-23.733000115.3A1006 T1011 F1354A1006-P1008 WeakPolarHBondContact O-CD 3.34Å; P1008-T1011 WeakPolarHBondContact O-CG2 3.26Å; P1008-F1354 HydrophobicContact CG-CD2 4.23Å; P1008-F1354 HydrophobicContact CG-CE1 4.44Å; P1008-F1354 HydrophobicContact CG-CE2 4.12Å; P1008-F1354 HydrophobicContact CG-CG 4.45Å; P1008-F1354 HydrophobicContact CG-CZ 4.22Å
1009E73.6Confident78.5Confident84 Ų8424.3 Ų24.339%0.39312%0.121SC..G310 helixtrans-81.6-23.3-174.7-58.1166.8151.900112.7I1007 K1347 N1351I1007-E1009 HydrophobicContact CG2-CB 4.22Å; I1007-E1009 PolarHBondContact O-N 3.36Å; E1009-K1347 WeakPolarHBondContact OE1-CE 3.41Å; E1009-K1347 IonicContact OE1-NZ 2.69Å; E1009-K1347 PolarHBondContact OE1-NZ 2.99Å; E1009-K1347 WeakPolarHBondContact OE2-CE 3.05Å; E1009-K1347 IonicContact OE2-NZ 2.82Å; E1009-K1347 PolarHBondContact OE2-NZ 3.34Å; E1009-N1351 PolarHBondContact OE2-ND2 2.84Å
1010Y77.4Confident77.9Confident27 Ų2728.5 Ų28.511%0.10614%0.143CC..G310 helixtrans-108.934-175.8-58.5-55.5000111.4T962 N965 Y966 I1007 D1012 F1013T962-Y1010 HydrophobicContact CG2-CD2 3.93Å; T962-Y1010 HydrophobicContact CG2-CE2 3.35Å; N965-Y1010 WeakPolarHBondContact OD1-CD1 3.33Å; N965-Y1010 VanDerWaalsContact OD1-CE1 3.23Å; N965-Y1010 WeakPolarHBondContact OD1-CE1 3.28Å; Y966-Y1010 AromaticContact CD1-CD1 3.42Å; Y966-Y1010 HydrophobicContact CD1-CD1 3.42Å; Y966-Y1010 VanDerWaalsContact CD1-CD1 3.42Å; Y966-Y1010 HydrophobicContact CD1-CE1 4.02Å; Y966-Y1010 AromaticContact CD1-CG 3.82Å; Y966-Y1010 HydrophobicContact CD1-CG 3.82Å; Y966-Y1010 AromaticContact CE1-CD1 3.54Å; Y966-Y1010 HydrophobicContact CE1-CD1 3.54Å; Y966-Y1010 HydrophobicContact CE1-CE1 4.28Å; Y966-Y1010 HydrophobicContact CE1-CG 4.18Å; I1007-Y1010 HydrophobicContact CB-CD2 3.96Å; I1007-Y1010 HydrophobicContact CD1-CD2 4.15Å; I1007-Y1010 HydrophobicContact CD1-CE2 4.48Å; I1007-Y1010 HydrophobicContact CG2-CD2 3.47Å; I1007-Y1010 VanDerWaalsContact CG2-CD2 3.47Å; I1007-Y1010 HydrophobicContact CG2-CE2 3.95Å; I1007-Y1010 HydrophobicContact CG2-CG 4.4Å; I1007-Y1010 PolarHBondContact O-N 3.03Å; Y1010-D1012 PolarHBondContact O-N 2.88Å; Y1010-F1013 WeakPolarHBondContact O-CB 3.16Å; Y1010-F1013 PolarHBondContact O-N 2.71Å
1011T71.3Confident77.1Confident45 Ų4528.8 Ų28.828%0.27614%0.144SC..THydrogen-bonded Turntrans-64.1-20.1178.552.90000112.4P1008 F1013 P1212 G1213P1008-T1011 WeakPolarHBondContact O-CG2 3.26Å; T1011-F1013 VanDerWaalsContact C-N 3.31Å; T1011-P1212 HydrophobicContact CG2-CB 3.53Å; T1011-P1212 HydrophobicContact CG2-CG 4.19Å; T1011-G1213 WeakPolarHBondContact O-CA 3.37Å
1012D77Confident76.4Confident15 Ų1528.9 Ų28.98%0.0815%0.145CC..THydrogen-bonded Turntrans-76.8-15.117473.8-30.8000113.9Y966 Y1010 L1014 G1015 K1016 V1331Y966-D1012 WeakPolarHBondContact CE1-OD1 3.34Å; Y966-D1012 PolarHBondContact OH-OD1 3.42Å; Y966-D1012 PolarHBondContact OH-OD2 3.09Å; Y1010-D1012 PolarHBondContact O-N 2.88Å; D1012-L1014 PolarHBondContact O-N 3.39Å; D1012-G1015 WeakPolarHBondContact O-CA 3.36Å; D1012-G1015 PolarHBondContact O-N 3.31Å; D1012-G1015 VanDerWaalsContact O-N 3.11Å; D1012-K1016 PolarHBondContact O-N 3.02Å; D1012-K1016 VanDerWaalsContact O-N 3.08Å; D1012-K1016 WeakPolarHBondContact OD2-CE 3.26Å; D1012-K1016 IonicContact OD2-NZ 2.85Å; D1012-K1016 PolarHBondContact OD2-NZ 2.92Å; D1012-V1331 HydrophobicContact CB-CG1 3.63Å
1013F80.7Confident75.9Confident0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-56.1-53.2-174170.7-110.2000112.8Y966 L970 L973 I1000 L1001 L1004 Y1010 T1011 G1015 K1016 V1017Y966-F1013 HydrophobicContact CD1-CB 4.25Å; Y966-F1013 HydrophobicContact CD1-CD2 4.21Å; Y966-F1013 AromaticContact CD2-CD2 3.42Å; Y966-F1013 HydrophobicContact CD2-CD2 3.42Å; Y966-F1013 VanDerWaalsContact CD2-CD2 3.42Å; Y966-F1013 HydrophobicContact CD2-CE2 4.04Å; Y966-F1013 HydrophobicContact CD2-CG 4.46Å; Y966-F1013 HydrophobicContact CE1-CB 4.25Å; Y966-F1013 HydrophobicContact CE2-CD2 4.01Å; Y966-F1013 HydrophobicContact CG-CB 4.44Å; Y966-F1013 AromaticContact CG-CD2 3.56Å; Y966-F1013 HydrophobicContact CG-CD2 3.56Å; Y966-F1013 HydrophobicContact CG-CE2 4.25Å; Y966-F1013 HydrophobicContact CG-CG 4.36Å; L970-F1013 HydrophobicContact CD2-CD2 4.37Å; L970-F1013 HydrophobicContact CD2-CE2 3.85Å; L970-F1013 HydrophobicContact CG-CD2 4.48Å; L970-F1013 HydrophobicContact CG-CE2 3.99Å; L973-F1013 HydrophobicContact CD1-CZ 3.91Å; I1000-F1013 HydrophobicContact CG2-CE1 4.28Å; I1000-F1013 HydrophobicContact CG2-CZ 3.89Å; L1001-F1013 HydrophobicContact CD2-CD1 4.49Å; L1001-F1013 HydrophobicContact CD2-CE1 3.61Å; L1001-F1013 HydrophobicContact CD2-CZ 4.27Å; L1004-F1013 HydrophobicContact CB-CD1 3.51Å; L1004-F1013 HydrophobicContact CB-CE1 3.77Å; L1004-F1013 HydrophobicContact CB-CG 4.06Å; L1004-F1013 HydrophobicContact CB-CZ 4.49Å; L1004-F1013 HydrophobicContact CD1-CD1 3.8Å; L1004-F1013 HydrophobicContact CD1-CD2 3.86Å; L1004-F1013 HydrophobicContact CD1-CE1 3.46Å; L1004-F1013 VanDerWaalsContact CD1-CE1 3.46Å; L1004-F1013 HydrophobicContact CD1-CE2 3.52Å; L1004-F1013 HydrophobicContact CD1-CG 3.99Å; L1004-F1013 HydrophobicContact CD1-CZ 3.31Å; L1004-F1013 HydrophobicContact CG-CD1 4.31Å; L1004-F1013 HydrophobicContact CG-CE1 4.22Å; L1004-F1013 HydrophobicContact CG-CZ 4.5Å; Y1010-F1013 WeakPolarHBondContact O-CB 3.16Å; Y1010-F1013 PolarHBondContact O-N 2.71Å; T1011-F1013 VanDerWaalsContact C-N 3.31Å; F1013-G1015 PolarHBondContact O-N 2.97Å; F1013-K1016 WeakPolarHBondContact O-CA 3.45Å; F1013-K1016 PolarHBondContact O-N 3.22Å; F1013-V1017 HydrophobicContact CD1-CG2 4.22Å; F1013-V1017 HydrophobicContact CD2-CG2 4.1Å; F1013-V1017 HydrophobicContact CE1-CG2 3.72Å; F1013-V1017 HydrophobicContact CE2-CG2 3.6Å; F1013-V1017 HydrophobicContact CG-CG2 4.4Å; F1013-V1017 HydrophobicContact CZ-CG2 3.38Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.39Å; F1013-V1017 PolarHBondContact O-N 3.18Å
1014L78.7Confident75Confident5 Ų530.7 Ų30.73%0.02616%0.163CC..Hα-helixtrans-58.2-37.3179.5-81.5172.3000111.3L1001 D1005 D1012 K1016 V1017 V1018 L1052 G1213 L1214 A1217L1001-L1014 HydrophobicContact CB-CD2 4.23Å; L1001-L1014 HydrophobicContact CD1-CD2 3.84Å; L1001-L1014 HydrophobicContact CD2-CD2 3.56Å; L1001-L1014 HydrophobicContact CG-CD2 4.07Å; D1005-L1014 HydrophobicContact CB-CD1 3.91Å; D1005-L1014 VanDerWaalsContact OD1-CD1 3.25Å; D1005-L1014 WeakPolarHBondContact OD1-CD1 3.35Å; D1012-L1014 PolarHBondContact O-N 3.39Å; L1014-K1016 VanDerWaalsContact C-N 3.33Å; L1014-K1016 PolarHBondContact O-N 2.91Å; L1014-V1017 PolarHBondContact O-N 3.32Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.2Å; L1014-V1018 PolarHBondContact O-N 2.89Å; L1014-L1052 HydrophobicContact CD2-CD1 4.26Å; L1014-G1213 WeakPolarHBondContact CB-O 3.26Å; L1014-L1214 HydrophobicContact CD1-CB 4.21Å; L1014-A1217 HydrophobicContact CB-CB 3.97Å
1015G76.8Confident74Confident0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-64-34174.100000113.4D1012 F1013 E1019 K1220D1012-G1015 WeakPolarHBondContact O-CA 3.36Å; D1012-G1015 PolarHBondContact O-N 3.31Å; D1012-G1015 VanDerWaalsContact O-N 3.11Å; F1013-G1015 PolarHBondContact O-N 2.97Å; G1015-E1019 PolarHBondContact O-N 3.48Å; G1015-K1220 WeakPolarHBondContact O-CD 3.46Å; G1015-K1220 PolarHBondContact O-NZ 3.38Å
1016K78.8Confident73.1Confident62 Ų6232.5 Ų32.527%0.2717%0.171SC..Hα-helixtrans-78.7-35.2175.3-72.5-177.9-176.1159.60113.1Y966 D1012 F1013 L1014 V1018 E1019 L1020Y966-K1016 HydrophobicContact CE2-CD 3.86Å; Y966-K1016 VanDerWaalsContact OH-CD 3.29Å; Y966-K1016 WeakPolarHBondContact OH-CD 3.43Å; Y966-K1016 WeakPolarHBondContact OH-CE 3.01Å; Y966-K1016 PolarHBondContact OH-NZ 3.22Å; D1012-K1016 PolarHBondContact O-N 3.02Å; D1012-K1016 VanDerWaalsContact O-N 3.08Å; D1012-K1016 WeakPolarHBondContact OD2-CE 3.26Å; D1012-K1016 IonicContact OD2-NZ 2.85Å; D1012-K1016 PolarHBondContact OD2-NZ 2.92Å; F1013-K1016 WeakPolarHBondContact O-CA 3.45Å; F1013-K1016 PolarHBondContact O-N 3.22Å; L1014-K1016 VanDerWaalsContact C-N 3.33Å; L1014-K1016 PolarHBondContact O-N 2.91Å; K1016-V1018 PolarHBondContact O-N 2.94Å; K1016-E1019 PolarHBondContact O-N 3.32Å; K1016-E1019 VanDerWaalsContact O-N 3.15Å; K1016-L1020 WeakPolarHBondContact O-CB 3.26Å; K1016-L1020 PolarHBondContact O-N 3.39Å
1017V78.5Confident72Confident2 Ų239.2 Ų39.21%0.01220%0.202CC..Hα-helixtrans-58.2-41.4171175.40000109.9L970 L973 F997 L1001 F1013 L1014 V1021 I1022L970-V1017 HydrophobicContact CD2-CG2 3.72Å; L973-V1017 HydrophobicContact CD1-CG1 4.15Å; L973-V1017 HydrophobicContact CD1-CG2 3.86Å; F997-V1017 HydrophobicContact CZ-CG1 4.09Å; L1001-V1017 HydrophobicContact CD2-CG1 4.37Å; L1001-V1017 HydrophobicContact CD2-CG2 4.2Å; F1013-V1017 HydrophobicContact CD1-CG2 4.22Å; F1013-V1017 HydrophobicContact CD2-CG2 4.1Å; F1013-V1017 HydrophobicContact CE1-CG2 3.72Å; F1013-V1017 HydrophobicContact CE2-CG2 3.6Å; F1013-V1017 HydrophobicContact CG-CG2 4.4Å; F1013-V1017 HydrophobicContact CZ-CG2 3.38Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.39Å; F1013-V1017 PolarHBondContact O-N 3.18Å; L1014-V1017 PolarHBondContact O-N 3.32Å; V1017-V1021 HydrophobicContact CG1-CB 4.26Å; V1017-V1021 HydrophobicContact CG1-CG2 4.32Å; V1017-V1021 WeakPolarHBondContact O-CA 3.47Å; V1017-V1021 VanDerWaalsContact O-CB 3.27Å; V1017-V1021 WeakPolarHBondContact O-CB 3.44Å; V1017-V1021 PolarHBondContact O-N 3.16Å; V1017-I1022 PolarHBondContact O-N 3.48Å
1018V73.2Confident70.7Confident2 Ų246.3 Ų46.31%0.01223%0.233CC..Iπ-helixtrans-58-50.8173.9169.50000111.3L1014 K1016 I1022 I1023 A1217 K1220 I1221L1014-V1018 WeakPolarHBondContact O-CG2 3.2Å; L1014-V1018 PolarHBondContact O-N 2.89Å; K1016-V1018 PolarHBondContact O-N 2.94Å; V1018-I1022 HydrophobicContact CG2-CD1 3.93Å; V1018-I1022 WeakPolarHBondContact O-CB 3.36Å; V1018-I1022 PolarHBondContact O-N 3.24Å; V1018-I1022 VanDerWaalsContact O-N 3.15Å; V1018-I1023 HydrophobicContact CG1-CD1 4.1Å; V1018-I1023 HydrophobicContact CG1-CG1 4.02Å; V1018-I1023 WeakPolarHBondContact O-CG1 3.44Å; V1018-I1023 PolarHBondContact O-N 3.46Å; V1018-A1217 HydrophobicContact CG2-CB 3.6Å; V1018-K1220 HydrophobicContact CG1-CB 3.87Å; V1018-I1221 HydrophobicContact CB-CG1 4.33Å; V1018-I1221 HydrophobicContact CG1-CG1 3.54Å; V1018-I1221 HydrophobicContact CG2-CD1 3.83Å; V1018-I1221 HydrophobicContact CG2-CG1 3.74Å
1019E73.7Confident69.9Low91 Ų9144.5 Ų44.543%0.42522%0.221SC..Iπ-helixtrans-65-42.8-177-77169.417500114G1015 K1016 I1023 P1024 K1220G1015-E1019 PolarHBondContact O-N 3.48Å; K1016-E1019 PolarHBondContact O-N 3.32Å; K1016-E1019 VanDerWaalsContact O-N 3.15Å; E1019-I1023 HydrophobicContact CG-CD1 4.39Å; E1019-P1024 WeakPolarHBondContact O-CD 3.45Å; E1019-K1220 HydrophobicContact CG-CD 4.03Å; E1019-K1220 WeakPolarHBondContact OE1-CD 3.45Å; E1019-K1220 VanDerWaalsContact OE1-CE 3.29Å; E1019-K1220 WeakPolarHBondContact OE1-CE 3.43Å; E1019-K1220 IonicContact OE1-NZ 3.31Å; E1019-K1220 PolarHBondContact OE1-NZ 3.04Å; E1019-K1220 IonicContact OE2-NZ 2.79Å; E1019-K1220 PolarHBondContact OE2-NZ 3.36Å; E1019-K1220 VanDerWaalsContact OE2-NZ 3.16Å
1020L71.8Confident69Low88 Ų8847.7 Ų47.746%0.46123%0.234SC..Iπ-helixtrans-91.7-30.7-170.9-65.6172.5000113.2L970 K1016L970-L1020 HydrophobicContact CD1-CD1 4.04Å; L970-L1020 HydrophobicContact CD2-CD1 4.39Å; K1016-L1020 WeakPolarHBondContact O-CB 3.26Å; K1016-L1020 PolarHBondContact O-N 3.39Å
1021V68.2Low67.9Low5 Ų546.9 Ų46.93%0.0323%0.231CC..Iπ-helixtrans-111.1-44.4-173.3-172.80000111.7L973 E974 Y977 V1017L973-V1021 HydrophobicContact CB-CG2 4.29Å; E974-V1021 HydrophobicContact CG-CG2 3.94Å; Y977-V1021 HydrophobicContact CD1-CG1 4.19Å; Y977-V1021 HydrophobicContact CD2-CG1 3.73Å; Y977-V1021 HydrophobicContact CE2-CG1 4.18Å; Y977-V1021 HydrophobicContact CG-CG1 3.69Å; V1017-V1021 HydrophobicContact CG1-CB 4.26Å; V1017-V1021 HydrophobicContact CG1-CG2 4.32Å; V1017-V1021 WeakPolarHBondContact O-CA 3.47Å; V1017-V1021 VanDerWaalsContact O-CB 3.27Å; V1017-V1021 WeakPolarHBondContact O-CB 3.44Å; V1017-V1021 PolarHBondContact O-N 3.16Å
1022I68.9Low66.8Low7 Ų747.6 Ų47.64%0.03624%0.238CC..Iπ-helixtrans-85.6-48.4-170.7-57.7178000112V1017 V1018 E1025 S1026 W1045V1017-I1022 PolarHBondContact O-N 3.48Å; V1018-I1022 HydrophobicContact CG2-CD1 3.93Å; V1018-I1022 WeakPolarHBondContact O-CB 3.36Å; V1018-I1022 PolarHBondContact O-N 3.24Å; V1018-I1022 VanDerWaalsContact O-N 3.15Å; I1022-E1025 PolarHBondContact O-N 3.35Å; I1022-S1026 VanDerWaalsContact O-CB 3.27Å; I1022-S1026 WeakPolarHBondContact O-CB 3.4Å; I1022-S1026 PolarHBondContact O-N 3.15Å; I1022-S1026 PolarHBondContact O-OG 3.18Å; I1022-W1045 HydrophobicContact CD1-CB 3.83Å; I1022-W1045 HydrophobicContact CD1-CD2 4.08Å; I1022-W1045 HydrophobicContact CD1-CE3 3.94Å; I1022-W1045 HydrophobicContact CD1-CG 4.07Å; I1022-W1045 HydrophobicContact CG1-CB 3.87Å; I1022-W1045 HydrophobicContact CG1-CD2 4.15Å; I1022-W1045 HydrophobicContact CG1-CE3 4.47Å; I1022-W1045 HydrophobicContact CG1-CG 3.89Å; I1022-W1045 HydrophobicContact CG2-CD2 3.68Å; I1022-W1045 HydrophobicContact CG2-CE3 3.89Å; I1022-W1045 HydrophobicContact CG2-CG 4.18Å; I1022-W1045 HydrophobicContact CG2-CH2 4.12Å; I1022-W1045 HydrophobicContact CG2-CZ2 3.89Å; I1022-W1045 HydrophobicContact CG2-CZ3 4.12Å
1023I70Confident65.3Low42 Ų4250.9 Ų50.922%0.21526%0.255CS..Hα-helixtrans-59-44.1-177.4-74.3-179.2000112.9V1018 E1019 E1025 S1026 F1224V1018-I1023 HydrophobicContact CG1-CD1 4.1Å; V1018-I1023 HydrophobicContact CG1-CG1 4.02Å; V1018-I1023 WeakPolarHBondContact O-CG1 3.44Å; V1018-I1023 PolarHBondContact O-N 3.46Å; E1019-I1023 HydrophobicContact CG-CD1 4.39Å; I1023-E1025 VanDerWaalsContact C-N 3.31Å; I1023-E1025 PolarHBondContact O-N 3.2Å; I1023-S1026 WeakPolarHBondContact CA-OG 3.31Å; I1023-S1026 PolarHBondContact O-OG 2.93Å; I1023-F1224 HydrophobicContact CB-CD2 4.32Å; I1023-F1224 HydrophobicContact CB-CE2 4.46Å; I1023-F1224 HydrophobicContact CD1-CB 4.1Å; I1023-F1224 HydrophobicContact CD1-CD2 4.24Å; I1023-F1224 HydrophobicContact CD1-CG 4.34Å; I1023-F1224 HydrophobicContact CG1-CB 4.19Å; I1023-F1224 HydrophobicContact CG1-CD2 3.99Å; I1023-F1224 HydrophobicContact CG1-CG 4.01Å; I1023-F1224 HydrophobicContact CG2-CD2 3.65Å; I1023-F1224 HydrophobicContact CG2-CE2 3.64Å; I1023-F1224 HydrophobicContact CG2-CG 4.48Å; I1023-F1224 HydrophobicContact CG2-CZ 4.45Å
1024P64Low63.5Low66 Ų6658.7 Ų58.743%0.42928%0.284SS..Hα-helixtrans-66.1-30.8179.7-23.535.6000113.7E1019E1019-P1024 WeakPolarHBondContact O-CD 3.45Å
1025E62.5Low62Low56 Ų5662.4 Ų62.426%0.26231%0.307SS..Hα-helixtrans-94.3-21-179.6-80.7-65.9137.900113.2I1022 I1023 E1027 K1028 C1029I1022-E1025 PolarHBondContact O-N 3.35Å; I1023-E1025 VanDerWaalsContact C-N 3.31Å; I1023-E1025 PolarHBondContact O-N 3.2Å; E1025-E1027 PolarHBondContact O-N 3Å; E1025-K1028 WeakPolarHBondContact O-CA 3.39Å; E1025-K1028 WeakPolarHBondContact O-CB 3.16Å; E1025-K1028 PolarHBondContact O-N 3.14Å; E1025-K1028 IonicContact OE1-NZ 3.49Å; E1025-K1028 PolarHBondContact OE1-NZ 3.42Å; E1025-K1028 IonicContact OE2-NZ 2.71Å; E1025-C1029 PolarHBondContact O-N 3.31Å; E1025-C1029 VanDerWaalsContact O-N 3.13Å; E1025-C1029 PolarHBondContact O-SG 2.88Å; E1025-C1029 VanDerWaalsContact O-SG 3.4Å
1026S61.2Low60.8Low8 Ų867.5 Ų67.56%0.05633%0.334CS..Hα-helixtrans-66.3-24.517759.70000112.2I1022 I1023 K1028 C1029 F1224I1022-S1026 VanDerWaalsContact O-CB 3.27Å; I1022-S1026 WeakPolarHBondContact O-CB 3.4Å; I1022-S1026 PolarHBondContact O-N 3.15Å; I1022-S1026 PolarHBondContact O-OG 3.18Å; I1023-S1026 WeakPolarHBondContact CA-OG 3.31Å; I1023-S1026 PolarHBondContact O-OG 2.93Å; S1026-K1028 PolarHBondContact O-N 2.91Å; S1026-C1029 PolarHBondContact O-N 3.41Å; S1026-C1029 VanDerWaalsContact O-N 3.16Å; S1026-F1224 WeakPolarHBondContact OG-CE1 3.47Å; S1026-F1224 WeakPolarHBondContact OG-CZ 3.48Å
1027E55.8Low59.6Low147 Ų14766.1 Ų66.169%0.68733%0.33SS*.THydrogen-bonded Turntrans-59.4-28.3168.5-68.4-171.516800112.5E1025 F1224E1025-E1027 PolarHBondContact O-N 3Å; E1027-F1224 HydrophobicContact CG-CE2 4.4Å; E1027-F1224 HydrophobicContact CG-CZ 3.96Å
1028K53.4Low58.6Low150 Ų15070.3 Ų70.365%0.65235%0.352SS*.THydrogen-bonded Turntrans-91.4-23174.5-59.9-179.8-167.7156.40113.2E1025 S1026 K1030E1025-K1028 WeakPolarHBondContact O-CA 3.39Å; E1025-K1028 WeakPolarHBondContact O-CB 3.16Å; E1025-K1028 PolarHBondContact O-N 3.14Å; E1025-K1028 IonicContact OE1-NZ 3.49Å; E1025-K1028 PolarHBondContact OE1-NZ 3.42Å; E1025-K1028 IonicContact OE2-NZ 2.71Å; S1026-K1028 PolarHBondContact O-N 2.91Å; K1028-K1030 PolarHBondContact O-N 3.12Å
1029C52.8Low58Low33 Ų3373.3 Ų73.322%0.22337%0.366CS..  trans-73.7122.7-174.6-73.40000111.9E1025 S1026 L1031E1025-C1029 PolarHBondContact O-N 3.31Å; E1025-C1029 VanDerWaalsContact O-N 3.13Å; E1025-C1029 PolarHBondContact O-SG 2.88Å; E1025-C1029 VanDerWaalsContact O-SG 3.4Å; S1026-C1029 PolarHBondContact O-N 3.41Å; S1026-C1029 VanDerWaalsContact O-N 3.16Å; C1029-L1031 HydrophobicContact CB-CD1 4.05Å; C1029-L1031 HydrophobicContact CB-CG 4.35Å; C1029-L1031 PolarHBondContact O-N 3.38Å
1030K54.6Low57.4Low151 Ų15177.3 Ų77.366%0.65738%0.384SS*.G310 helixtrans-67.415.7174.5-68.9-179.5-179.6173.40114.9K1028 S1032 I1033K1028-K1030 PolarHBondContact O-N 3.12Å; K1030-S1032 PolarHBondContact O-N 3.05Å; K1030-I1033 HydrophobicContact CB-CD1 4.1Å; K1030-I1033 HydrophobicContact CB-CG1 4.44Å; K1030-I1033 HydrophobicContact CD-CD1 4.29Å; K1030-I1033 HydrophobicContact CG-CD1 4.1Å; K1030-I1033 WeakPolarHBondContact O-CB 3.33Å; K1030-I1033 PolarHBondContact O-N 3.27Å
1031L53.9Low56.9Low9 Ų978.8 Ų78.85%0.04739%0.389CS..G310 helixtrans-60.4-20.1-177-80.9161.7000113.7C1029 I1033 L1037 P1043 W1045 F1046C1029-L1031 HydrophobicContact CB-CD1 4.05Å; C1029-L1031 HydrophobicContact CB-CG 4.35Å; C1029-L1031 PolarHBondContact O-N 3.38Å; L1031-I1033 VanDerWaalsContact C-N 3.27Å; L1031-I1033 PolarHBondContact O-N 3.3Å; L1031-L1037 HydrophobicContact CD2-CD1 3.66Å; L1031-L1037 HydrophobicContact CG-CD1 4.29Å; L1031-P1043 HydrophobicContact CD1-CG 3.84Å; L1031-P1043 HydrophobicContact CG-CG 4.48Å; L1031-W1045 HydrophobicContact CD1-CH2 3.49Å; L1031-W1045 VanDerWaalsContact CD1-CH2 3.49Å; L1031-W1045 HydrophobicContact CD1-CZ2 3.18Å; L1031-F1046 HydrophobicContact CD2-CD2 4.25Å; L1031-F1046 HydrophobicContact CD2-CE2 4.43Å; L1031-F1046 HydrophobicContact CD2-CG 4.46Å
1032S49.1Very low56.9Low61 Ų6179.5 Ų79.543%0.42739%0.391SS..G310 helixtrans-70.4-21.2172.954.60000113.4K1030 R1034K1030-S1032 PolarHBondContact O-N 3.05Å; S1032-R1034 PolarHBondContact O-N 3.38Å
1033I44Very low56.9Low84 Ų8480.5 Ų80.543%0.43140%0.398SS..SBendtrans-84.3118.4-178.3-50.4179.9000108.1K1030 L1031 T1035K1030-I1033 HydrophobicContact CB-CD1 4.1Å; K1030-I1033 HydrophobicContact CB-CG1 4.44Å; K1030-I1033 HydrophobicContact CD-CD1 4.29Å; K1030-I1033 HydrophobicContact CG-CD1 4.1Å; K1030-I1033 WeakPolarHBondContact O-CB 3.33Å; K1030-I1033 PolarHBondContact O-N 3.27Å; L1031-I1033 VanDerWaalsContact C-N 3.27Å; L1031-I1033 PolarHBondContact O-N 3.3Å; I1033-T1035 HydrophobicContact CG2-CG2 3.91Å; I1033-T1035 WeakPolarHBondContact CG2-OG1 3.45Å; I1033-T1035 PolarHBondContact O-N 3.06Å; I1033-T1035 PolarHBondContact O-OG1 2.95Å
1034R44Very low56.9Low163 Ų16379.7 Ų79.762%0.61539%0.394SS*.  trans-51.3-1.9177.4-73.6-179.9169.9-176.3-4116.2S1032 L1036 D1250S1032-R1034 PolarHBondContact O-N 3.38Å; R1034-L1036 PolarHBondContact O-N 3.13Å; R1034-D1250 IonicContact NH2-OD1 3.13Å
1035T47.4Very low57.2Low83 Ų8376.7 Ų76.751%0.50937%0.374SS..SBendtrans-67.2129.6179.942.20000110.1I1033 L1037I1033-T1035 HydrophobicContact CG2-CG2 3.91Å; I1033-T1035 WeakPolarHBondContact CG2-OG1 3.45Å; I1033-T1035 PolarHBondContact O-N 3.06Å; I1033-T1035 PolarHBondContact O-OG1 2.95Å; T1035-L1037 VanDerWaalsContact C-N 3.34Å; T1035-L1037 PolarHBondContact O-N 3.46Å
1036L51.9Low57.7Low107 Ų10774 Ų7456%0.5636%0.362SS*.  trans-41.498.9165.4-103.685.2000108.6R1034 N1038R1034-L1036 PolarHBondContact O-N 3.13Å; L1036-N1038 PolarHBondContact O-N 3.34Å
1037L51.9Low58.2Low34 Ų3474.2 Ų74.218%0.17836%0.362CS..  trans-72120.3165.9-74.9161.3000105.3L1031 T1035 H1039 E1041 W1042L1031-L1037 HydrophobicContact CD2-CD1 3.66Å; L1031-L1037 HydrophobicContact CG-CD1 4.29Å; T1035-L1037 VanDerWaalsContact C-N 3.34Å; T1035-L1037 PolarHBondContact O-N 3.46Å; L1037-H1039 PolarHBondContact O-N 3.21Å; L1037-E1041 HydrophobicContact CD2-CB 4.01Å; L1037-W1042 PolarHBondContact O-NE1 2.95Å; L1037-W1042 VanDerWaalsContact O-NE1 3.16Å
1038N58.4Low59Low90 Ų9067.2 Ų67.248%0.48133%0.33SS..  trans-54.4141.3165-74.5-28.3000107.4L1036 E1040 E1041L1036-N1038 PolarHBondContact O-N 3.34Å; N1038-E1040 PolarHBondContact O-N 3.47Å; N1038-E1041 HydrophobicContact CB-CG 4.33Å; N1038-E1041 WeakPolarHBondContact O-CA 3.3Å; N1038-E1041 WeakPolarHBondContact O-CB 3.46Å; N1038-E1041 PolarHBondContact O-N 3.28Å
1039H60.7Low60Low64 Ų6460.3 Ų60.330%0.29630%0.299SS..G310 helixtrans-56.4-25.4180169.6-79.9000112.4K994 L1037 E1041 W1042 D1047 Y1265K994-H1039 PolarHBondContact NZ-CE1 3.48Å; K994-H1039 VanDerWaalsContact NZ-CE1 3.31Å; K994-H1039 PolarHBondContact NZ-NE2 2.88Å; L1037-H1039 PolarHBondContact O-N 3.21Å; H1039-E1041 PolarHBondContact O-N 3.42Å; H1039-W1042 AromaticContact CD2-CE3 3.97Å; H1039-W1042 PolarHBondContact O-N 3.12Å; H1039-D1047 IonicContact CD2-OD1 2.57Å; H1039-D1047 IonicContact NE2-OD1 2.83Å; H1039-D1047 PolarHBondContact NE2-OD1 3.14Å; H1039-Y1265 HydrophobicContact CB-CD2 3.95Å; H1039-Y1265 HydrophobicContact CB-CE2 3.41Å; H1039-Y1265 VanDerWaalsContact CB-CE2 3.41Å; H1039-Y1265 AromaticContact CD2-CE2 3.86Å; H1039-Y1265 AromaticContact CD2-CZ 3.63Å; H1039-Y1265 AromaticContact CG-CE2 3.86Å
1040E60.8Low61.2Low176 Ų17659.4 Ų59.482%0.82229%0.293SS*.G310 helixtrans-65.4-21.3172-62.8-175175.400114.1N1038N1038-E1040 PolarHBondContact O-N 3.47Å
1041E62.5Low62.3Low118 Ų11855 Ų5555%0.55128%0.275SS*.G310 helixtrans-96.8-3177.8-59.7-178.7166.400112.7L1037 N1038 H1039L1037-E1041 HydrophobicContact CD2-CB 4.01Å; N1038-E1041 HydrophobicContact CB-CG 4.33Å; N1038-E1041 WeakPolarHBondContact O-CA 3.3Å; N1038-E1041 WeakPolarHBondContact O-CB 3.46Å; N1038-E1041 PolarHBondContact O-N 3.28Å; H1039-E1041 PolarHBondContact O-N 3.42Å
1042W67.6Low63.3Low21 Ų2156.2 Ų56.28%0.0828%0.281CS..SBendtrans-67.2132.4178.5-74.914.1000109.7L1037 H1039 F1046 V1050 Y1265L1037-W1042 PolarHBondContact O-NE1 2.95Å; L1037-W1042 VanDerWaalsContact O-NE1 3.16Å; H1039-W1042 AromaticContact CD2-CE3 3.97Å; H1039-W1042 PolarHBondContact O-N 3.12Å; W1042-F1046 HydrophobicContact CB-CD1 4.35Å; W1042-F1046 AromaticContact CD2-CD1 3.6Å; W1042-F1046 HydrophobicContact CD2-CD1 3.6Å; W1042-F1046 AromaticContact CD2-CE1 3.69Å; W1042-F1046 HydrophobicContact CD2-CE1 3.69Å; W1042-F1046 AromaticContact CE2-CE1 3.85Å; W1042-F1046 AromaticContact CE3-CD1 3.49Å; W1042-F1046 HydrophobicContact CE3-CD1 3.49Å; W1042-F1046 VanDerWaalsContact CE3-CD1 3.49Å; W1042-F1046 AromaticContact CE3-CE1 3.59Å; W1042-F1046 HydrophobicContact CE3-CE1 3.59Å; W1042-F1046 HydrophobicContact CG-CD1 4.01Å; W1042-F1046 HydrophobicContact CG-CE1 4.43Å; W1042-F1046 AromaticContact CH2-CE1 3.83Å; W1042-F1046 HydrophobicContact CH2-CE1 3.83Å; W1042-F1046 AromaticContact CZ2-CE1 3.91Å; W1042-F1046 HydrophobicContact CZ2-CE1 3.91Å; W1042-F1046 HydrophobicContact CZ3-CD1 4.01Å; W1042-F1046 AromaticContact CZ3-CE1 3.68Å; W1042-F1046 HydrophobicContact CZ3-CE1 3.68Å; W1042-V1050 HydrophobicContact CZ3-CG1 4.46Å; W1042-V1050 HydrophobicContact CZ3-CG2 3.99Å; W1042-Y1265 AromaticContact CH2-CD1 3.96Å; W1042-Y1265 HydrophobicContact CH2-CD1 3.96Å; W1042-Y1265 HydrophobicContact CH2-CD2 4.43Å; W1042-Y1265 AromaticContact CH2-CG 3.77Å; W1042-Y1265 HydrophobicContact CH2-CG 3.77Å; W1042-Y1265 HydrophobicContact CZ2-CD2 4.4Å; W1042-Y1265 HydrophobicContact CZ2-CG 4.01Å
1043P69.2Low64.8Low27 Ų2753.5 Ų53.518%0.17526%0.262CS..  trans-65.2142.4172.726.2-29.9000109L1031 W1045 F1046 D1047L1031-P1043 HydrophobicContact CD1-CG 3.84Å; L1031-P1043 HydrophobicContact CG-CG 4.48Å; P1043-W1045 HydrophobicContact CB-CG 4.47Å; P1043-W1045 HydrophobicContact CG-CD2 4.49Å; P1043-W1045 HydrophobicContact CG-CZ2 4.15Å; P1043-W1045 PolarHBondContact O-N 3.06Å; P1043-F1046 HydrophobicContact CG-CB 3.82Å; P1043-F1046 WeakPolarHBondContact O-CB 3.3Å; P1043-F1046 PolarHBondContact O-N 3.33Å; P1043-D1047 PolarHBondContact O-N 3.43Å
1044L68.4Low66.4Low26 Ų2651.8 Ų51.814%0.13626%0.26CS..Hα-helixtrans-51.6-35-175-71.2173.5000113.2Y977 A993 K994 D1047 A1048Y977-L1044 HydrophobicContact CE1-CB 4.18Å; Y977-L1044 WeakPolarHBondContact OH-CB 3.46Å; A993-L1044 HydrophobicContact CB-CD1 4.35Å; K994-L1044 HydrophobicContact CB-CD2 3.65Å; K994-L1044 HydrophobicContact CG-CD2 4.29Å; L1044-D1047 WeakPolarHBondContact O-CB 3.31Å; L1044-A1048 WeakPolarHBondContact O-CB 3.45Å; L1044-A1048 PolarHBondContact O-N 3.34Å; L1044-A1048 VanDerWaalsContact O-N 3.08Å
1045W72.3Confident67.9Low2 Ų250.5 Ų50.51%0.00826%0.261CS..Hα-helixtrans-69.3-34.6178.567.3-103.3000112.7Y977 F997 I1022 L1031 P1043 A1048 L1049 F1254Y977-W1045 PolarHBondContact OH-N 2.95Å; F997-W1045 HydrophobicContact CE1-CB 4.01Å; F997-W1045 HydrophobicContact CZ-CB 3.85Å; I1022-W1045 HydrophobicContact CD1-CB 3.83Å; I1022-W1045 HydrophobicContact CD1-CD2 4.08Å; I1022-W1045 HydrophobicContact CD1-CE3 3.94Å; I1022-W1045 HydrophobicContact CD1-CG 4.07Å; I1022-W1045 HydrophobicContact CG1-CB 3.87Å; I1022-W1045 HydrophobicContact CG1-CD2 4.15Å; I1022-W1045 HydrophobicContact CG1-CE3 4.47Å; I1022-W1045 HydrophobicContact CG1-CG 3.89Å; I1022-W1045 HydrophobicContact CG2-CD2 3.68Å; I1022-W1045 HydrophobicContact CG2-CE3 3.89Å; I1022-W1045 HydrophobicContact CG2-CG 4.18Å; I1022-W1045 HydrophobicContact CG2-CH2 4.12Å; I1022-W1045 HydrophobicContact CG2-CZ2 3.89Å; I1022-W1045 HydrophobicContact CG2-CZ3 4.12Å; L1031-W1045 HydrophobicContact CD1-CH2 3.49Å; L1031-W1045 VanDerWaalsContact CD1-CH2 3.49Å; L1031-W1045 HydrophobicContact CD1-CZ2 3.18Å; P1043-W1045 HydrophobicContact CB-CG 4.47Å; P1043-W1045 HydrophobicContact CG-CD2 4.49Å; P1043-W1045 HydrophobicContact CG-CZ2 4.15Å; P1043-W1045 PolarHBondContact O-N 3.06Å; W1045-A1048 PolarHBondContact O-N 2.97Å; W1045-L1049 HydrophobicContact CE3-CD1 3.62Å; W1045-L1049 HydrophobicContact CE3-CG 4.5Å; W1045-L1049 HydrophobicContact CZ3-CD1 3.66Å; W1045-L1049 WeakPolarHBondContact O-CG 3.36Å; W1045-L1049 PolarHBondContact O-N 3.07Å; W1045-F1254 HydrophobicContact CH2-CZ 4.31Å; W1045-F1254 HydrophobicContact CZ3-CZ 4.28Å
1046F72Confident69.5Low1 Ų147.1 Ų47.10%0.00424%0.241CC..Hα-helixtrans-71.1-44.2179.9-177.4-96.3000110.1L1031 W1042 P1043 A1048 L1049 V1050 F1254 L1258 L1261L1031-F1046 HydrophobicContact CD2-CD2 4.25Å; L1031-F1046 HydrophobicContact CD2-CE2 4.43Å; L1031-F1046 HydrophobicContact CD2-CG 4.46Å; W1042-F1046 HydrophobicContact CB-CD1 4.35Å; W1042-F1046 AromaticContact CD2-CD1 3.6Å; W1042-F1046 HydrophobicContact CD2-CD1 3.6Å; W1042-F1046 AromaticContact CD2-CE1 3.69Å; W1042-F1046 HydrophobicContact CD2-CE1 3.69Å; W1042-F1046 AromaticContact CE2-CE1 3.85Å; W1042-F1046 AromaticContact CE3-CD1 3.49Å; W1042-F1046 HydrophobicContact CE3-CD1 3.49Å; W1042-F1046 VanDerWaalsContact CE3-CD1 3.49Å; W1042-F1046 AromaticContact CE3-CE1 3.59Å; W1042-F1046 HydrophobicContact CE3-CE1 3.59Å; W1042-F1046 HydrophobicContact CG-CD1 4.01Å; W1042-F1046 HydrophobicContact CG-CE1 4.43Å; W1042-F1046 AromaticContact CH2-CE1 3.83Å; W1042-F1046 HydrophobicContact CH2-CE1 3.83Å; W1042-F1046 AromaticContact CZ2-CE1 3.91Å; W1042-F1046 HydrophobicContact CZ2-CE1 3.91Å; W1042-F1046 HydrophobicContact CZ3-CD1 4.01Å; W1042-F1046 AromaticContact CZ3-CE1 3.68Å; W1042-F1046 HydrophobicContact CZ3-CE1 3.68Å; P1043-F1046 HydrophobicContact CG-CB 3.82Å; P1043-F1046 WeakPolarHBondContact O-CB 3.3Å; P1043-F1046 PolarHBondContact O-N 3.33Å; F1046-A1048 VanDerWaalsContact C-N 3.27Å; F1046-A1048 PolarHBondContact O-N 3.47Å; F1046-L1049 PolarHBondContact O-N 3.34Å; F1046-V1050 HydrophobicContact CD1-CG2 4.26Å; F1046-V1050 HydrophobicContact CE1-CG2 3.93Å; F1046-V1050 HydrophobicContact CZ-CG2 4.3Å; F1046-V1050 WeakPolarHBondContact O-CG2 3.37Å; F1046-V1050 PolarHBondContact O-N 3.43Å; F1046-F1254 HydrophobicContact CE2-CZ 4.4Å; F1046-L1258 HydrophobicContact CE2-CD1 4.16Å; F1046-L1258 HydrophobicContact CE2-CG 4.06Å; F1046-L1258 HydrophobicContact CZ-CG 4.25Å; F1046-L1261 HydrophobicContact CE2-CD1 4.18Å; F1046-L1261 HydrophobicContact CZ-CB 4.12Å; F1046-L1261 HydrophobicContact CZ-CD1 3.87Å
1047D71.3Confident70.9Confident11 Ų1142 Ų426%0.05921%0.214CC..Hα-helixtrans-52.9-45.3170.6-100.6-32.6000112.7K994 H1039 P1043 L1044 V1050 Q1051K994-D1047 HydrophobicContact CD-CB 4.32Å; K994-D1047 VanDerWaalsContact CE-OD2 3.31Å; K994-D1047 WeakPolarHBondContact CE-OD2 3.12Å; K994-D1047 IonicContact NZ-OD1 3.08Å; K994-D1047 PolarHBondContact NZ-OD1 3.39Å; K994-D1047 IonicContact NZ-OD2 2.75Å; K994-D1047 PolarHBondContact NZ-OD2 3.43Å; H1039-D1047 IonicContact CD2-OD1 2.57Å; H1039-D1047 IonicContact NE2-OD1 2.83Å; H1039-D1047 PolarHBondContact NE2-OD1 3.14Å; P1043-D1047 PolarHBondContact O-N 3.43Å; L1044-D1047 WeakPolarHBondContact O-CB 3.31Å; D1047-V1050 PolarHBondContact O-N 3.28Å; D1047-Q1051 WeakPolarHBondContact O-CG 3.34Å; D1047-Q1051 PolarHBondContact O-N 2.84Å
1048A72.1Confident72.4Confident1 Ų141.3 Ų41.31%0.00822%0.215CC..Hα-helixtrans-67.6-39.2179.700000112.8F997 I998 L1001 L1044 W1045 F1046 V1050 Q1051 L1052F997-A1048 HydrophobicContact CD1-CB 3.32Å; F997-A1048 HydrophobicContact CE1-CB 3.63Å; I998-A1048 HydrophobicContact CG1-CB 3.66Å; L1001-A1048 HydrophobicContact CD1-CB 4.03Å; L1044-A1048 WeakPolarHBondContact O-CB 3.45Å; L1044-A1048 PolarHBondContact O-N 3.34Å; L1044-A1048 VanDerWaalsContact O-N 3.08Å; W1045-A1048 PolarHBondContact O-N 2.97Å; F1046-A1048 VanDerWaalsContact C-N 3.27Å; F1046-A1048 PolarHBondContact O-N 3.47Å; A1048-V1050 VanDerWaalsContact C-N 3.35Å; A1048-Q1051 PolarHBondContact O-N 3.07Å; A1048-L1052 WeakPolarHBondContact O-CG 3.31Å; A1048-L1052 PolarHBondContact O-N 3.48Å
1049L76.1Confident73.4Confident4 Ų442.8 Ų42.82%0.02122%0.217CC..Hα-helixtrans-61.8-42.5172.9-73.3174.3000111.8W1045 F1046 Q1051 L1052 L1053 L1214 I1221 L1258W1045-L1049 HydrophobicContact CE3-CD1 3.62Å; W1045-L1049 HydrophobicContact CE3-CG 4.5Å; W1045-L1049 HydrophobicContact CZ3-CD1 3.66Å; W1045-L1049 WeakPolarHBondContact O-CG 3.36Å; W1045-L1049 PolarHBondContact O-N 3.07Å; F1046-L1049 PolarHBondContact O-N 3.34Å; L1049-Q1051 VanDerWaalsContact C-N 3.28Å; L1049-Q1051 PolarHBondContact O-N 3.44Å; L1049-L1052 PolarHBondContact O-N 3.08Å; L1049-L1053 WeakPolarHBondContact O-CG 3.48Å; L1049-L1053 PolarHBondContact O-N 2.95Å; L1049-L1214 HydrophobicContact CD2-CD1 3.58Å; L1049-I1221 HydrophobicContact CD1-CD1 3.74Å; L1049-L1258 HydrophobicContact CB-CD1 4.36Å
1050V77.3Confident74.6Confident14 Ų1440.3 Ų40.39%0.08521%0.206CC..Hα-helixtrans-61.4-39.6175.1171.50000110.8W1042 F1046 D1047 A1048 L1053 A1054 L1057 L1258 Y1262W1042-V1050 HydrophobicContact CZ3-CG1 4.46Å; W1042-V1050 HydrophobicContact CZ3-CG2 3.99Å; F1046-V1050 HydrophobicContact CD1-CG2 4.26Å; F1046-V1050 HydrophobicContact CE1-CG2 3.93Å; F1046-V1050 HydrophobicContact CZ-CG2 4.3Å; F1046-V1050 WeakPolarHBondContact O-CG2 3.37Å; F1046-V1050 PolarHBondContact O-N 3.43Å; D1047-V1050 PolarHBondContact O-N 3.28Å; A1048-V1050 VanDerWaalsContact C-N 3.35Å; V1050-L1053 CarbonylContact O-C 3.36Å; V1050-L1053 PolarHBondContact O-N 2.94Å; V1050-A1054 PolarHBondContact O-N 3Å; V1050-L1057 HydrophobicContact CG1-CD1 4.08Å; V1050-L1258 HydrophobicContact CG2-CD2 4.41Å; V1050-Y1262 HydrophobicContact CG1-CD2 3.63Å; V1050-Y1262 HydrophobicContact CG1-CE2 3.95Å
1051Q76.8Confident75.8Confident58 Ų5832.8 Ų32.827%0.27117%0.17SC..Hα-helixtrans-71.2-30.6176.9-75.3-158.726.100114.6I998 R1002 D1047 A1048 L1049 L1053 A1054I998-Q1051 HydrophobicContact CD1-CB 4.48Å; I998-Q1051 HydrophobicContact CD1-CG 4.22Å; I998-Q1051 VanDerWaalsContact CD1-NE2 3.32Å; I998-Q1051 VanDerWaalsContact CD1-OE1 3.25Å; R1002-Q1051 PolarHBondContact NH2-O 3.22Å; D1047-Q1051 WeakPolarHBondContact O-CG 3.34Å; D1047-Q1051 PolarHBondContact O-N 2.84Å; A1048-Q1051 PolarHBondContact O-N 3.07Å; L1049-Q1051 VanDerWaalsContact C-N 3.28Å; L1049-Q1051 PolarHBondContact O-N 3.44Å; Q1051-L1053 VanDerWaalsContact C-N 3.25Å; Q1051-A1054 WeakPolarHBondContact O-CB 3.4Å; Q1051-A1054 PolarHBondContact O-N 3.41Å
1052L75.9Confident76.8Confident36 Ų3631.8 Ų31.819%0.18817%0.167CC..Hα-helixtrans-68.2-30.4170.5-71.8170.3000111.2L1001 R1002 L1014 A1048 L1049 L1214L1001-L1052 HydrophobicContact CB-CD1 4.21Å; L1001-L1052 HydrophobicContact CD1-CD1 3.91Å; R1002-L1052 HydrophobicContact CG-CD2 3.62Å; L1014-L1052 HydrophobicContact CD2-CD1 4.26Å; A1048-L1052 WeakPolarHBondContact O-CG 3.31Å; A1048-L1052 PolarHBondContact O-N 3.48Å; L1049-L1052 PolarHBondContact O-N 3.08Å; L1052-L1214 HydrophobicContact CB-CD2 4.37Å; L1052-L1214 HydrophobicContact CD1-CD1 4.35Å
1053L79.3Confident77.4Confident3 Ų334.9 Ų34.92%0.01618%0.179CC..THydrogen-bonded Turntrans-94.511.3177-67.3173.6000113.7L1049 V1050 Q1051 E1055 P1056 L1057 L1205 C1210 L1214 L1258L1049-L1053 WeakPolarHBondContact O-CG 3.48Å; L1049-L1053 PolarHBondContact O-N 2.95Å; V1050-L1053 CarbonylContact O-C 3.36Å; V1050-L1053 PolarHBondContact O-N 2.94Å; Q1051-L1053 VanDerWaalsContact C-N 3.25Å; L1053-E1055 VanDerWaalsContact C-N 3.34Å; L1053-E1055 PolarHBondContact O-N 3.36Å; L1053-P1056 HydrophobicContact CB-CG 4.42Å; L1053-P1056 HydrophobicContact CD2-CG 4.21Å; L1053-P1056 WeakPolarHBondContact O-CD 3.35Å; L1053-P1056 VanDerWaalsContact O-CG 3.26Å; L1053-P1056 WeakPolarHBondContact O-CG 3.33Å; L1053-L1057 HydrophobicContact CB-CD1 3.53Å; L1053-L1057 HydrophobicContact CB-CG 3.82Å; L1053-L1057 WeakPolarHBondContact O-CB 3.42Å; L1053-L1057 WeakPolarHBondContact O-CG 3.44Å; L1053-L1057 PolarHBondContact O-N 3.28Å; L1053-L1205 HydrophobicContact CD1-CD2 4.38Å; L1053-L1205 HydrophobicContact CD2-CD2 4.12Å; L1053-C1210 WeakPolarHBondContact CD2-SG 3.39Å; L1053-L1214 HydrophobicContact CD2-CD2 3.42Å; L1053-L1214 VanDerWaalsContact CD2-CD2 3.42Å; L1053-L1214 HydrophobicContact CG-CD2 3.86Å; L1053-L1258 HydrophobicContact CD1-CD1 4.39Å; L1053-L1258 HydrophobicContact CD1-CD2 3.83Å
1054A79.1Confident78.3Confident49 Ų4933.6 Ų33.641%0.40517%0.171SC..Hα-helixtrans-58.8-41.8-169.300000113.5V1050 Q1051 G1058V1050-A1054 PolarHBondContact O-N 3Å; Q1051-A1054 WeakPolarHBondContact O-CB 3.4Å; Q1051-A1054 PolarHBondContact O-N 3.41Å; A1054-G1058 PolarHBondContact O-N 3.44Å
1055E75.7Confident79.1Confident135 Ų13535.7 Ų35.763%0.63118%0.179SC*.Hα-helixtrans-66.5-54.4179.9-164.7-163.6150.200112.9L1053 L1057 G1058 K1059L1053-E1055 VanDerWaalsContact C-N 3.34Å; L1053-E1055 PolarHBondContact O-N 3.36Å; E1055-L1057 VanDerWaalsContact C-N 3.35Å; E1055-L1057 PolarHBondContact O-N 3.45Å; E1055-G1058 PolarHBondContact O-N 2.92Å; E1055-K1059 PolarHBondContact O-N 3Å; E1055-K1059 VanDerWaalsContact O-N 3.14Å; E1055-K1059 WeakPolarHBondContact OE1-CE 3.31Å; E1055-K1059 IonicContact OE1-NZ 3.37Å; E1055-K1059 PolarHBondContact OE1-NZ 3.19Å
1056P80Confident79.6Confident13 Ų1340 Ų408%0.08420%0.199CC..Hα-helixtrans-64.9-37.3177.724.2-33.8000112.6L1053 G1058 K1059 I1060 L1205 N1209L1053-P1056 HydrophobicContact CB-CG 4.42Å; L1053-P1056 HydrophobicContact CD2-CG 4.21Å; L1053-P1056 WeakPolarHBondContact O-CD 3.35Å; L1053-P1056 VanDerWaalsContact O-CG 3.26Å; L1053-P1056 WeakPolarHBondContact O-CG 3.33Å; P1056-G1058 VanDerWaalsContact C-N 3.29Å; P1056-G1058 PolarHBondContact O-N 2.83Å; P1056-K1059 PolarHBondContact O-N 2.82Å; P1056-I1060 WeakPolarHBondContact O-CG1 3.47Å; P1056-I1060 PolarHBondContact O-N 3.35Å; P1056-L1205 HydrophobicContact CB-CD1 3.97Å; P1056-L1205 HydrophobicContact CG-CD1 4.48Å; P1056-N1209 HydrophobicContact CB-CB 3.89Å; P1056-N1209 HydrophobicContact CG-CB 4.18Å
1057L82.5Confident80.1Confident0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-64.5-34.6174.8-71.1175.3000112.1V1050 L1053 E1055 W1061 L1205 L1258 V1259 Y1262V1050-L1057 HydrophobicContact CG1-CD1 4.08Å; L1053-L1057 HydrophobicContact CB-CD1 3.53Å; L1053-L1057 HydrophobicContact CB-CG 3.82Å; L1053-L1057 WeakPolarHBondContact O-CB 3.42Å; L1053-L1057 WeakPolarHBondContact O-CG 3.44Å; L1053-L1057 PolarHBondContact O-N 3.28Å; E1055-L1057 VanDerWaalsContact C-N 3.35Å; E1055-L1057 PolarHBondContact O-N 3.45Å; L1057-W1061 WeakPolarHBondContact O-CB 3.49Å; L1057-W1061 PolarHBondContact O-N 2.9Å; L1057-L1205 HydrophobicContact CD2-CD1 4.49Å; L1057-L1258 HydrophobicContact CD1-CD2 4.27Å; L1057-V1259 HydrophobicContact CD2-CB 4.4Å; L1057-V1259 HydrophobicContact CD2-CG1 4.44Å; L1057-V1259 HydrophobicContact CD2-CG2 3.81Å; L1057-Y1262 HydrophobicContact CB-CD1 3.9Å; L1057-Y1262 HydrophobicContact CB-CE1 3.57Å; L1057-Y1262 HydrophobicContact CB-CE2 4.29Å; L1057-Y1262 HydrophobicContact CB-CG 4.38Å; L1057-Y1262 HydrophobicContact CD1-CD1 4.27Å; L1057-Y1262 HydrophobicContact CD1-CD2 3.96Å; L1057-Y1262 HydrophobicContact CD1-CE2 4.25Å; L1057-Y1262 HydrophobicContact CD1-CG 3.94Å; L1057-Y1262 HydrophobicContact CD2-CD1 3.88Å; L1057-Y1262 HydrophobicContact CD2-CE1 4.42Å; L1057-Y1262 HydrophobicContact CD2-CG 4.15Å; L1057-Y1262 HydrophobicContact CG-CD1 4.24Å; L1057-Y1262 HydrophobicContact CG-CE1 4.39Å; L1057-Y1262 HydrophobicContact CG-CG 4.39Å; L1057-Y1262 WeakPolarHBondContact O-CE1 3.32Å
1058G81.9Confident80.8Confident19 Ų1940 Ų4020%0.19620%0.199CC..Hα-helixtrans-62.1-44.7172.700000112.8A1054 E1055 P1056 W1061 I1062A1054-G1058 PolarHBondContact O-N 3.44Å; E1055-G1058 PolarHBondContact O-N 2.92Å; P1056-G1058 VanDerWaalsContact C-N 3.29Å; P1056-G1058 PolarHBondContact O-N 2.83Å; G1058-W1061 WeakPolarHBondContact O-CB 3.43Å; G1058-W1061 PolarHBondContact O-N 2.9Å; G1058-I1062 WeakPolarHBondContact O-CG1 3.38Å; G1058-I1062 PolarHBondContact O-N 2.81Å
1059K80.3Confident81.2Confident121 Ų12143.1 Ų43.153%0.52622%0.215SC..Hα-helixtrans-63.3-44.4176.4-68.8174.4-173.4163.80111.9E1055 P1056 W1061 I1062 R1063E1055-K1059 PolarHBondContact O-N 3Å; E1055-K1059 VanDerWaalsContact O-N 3.14Å; E1055-K1059 WeakPolarHBondContact OE1-CE 3.31Å; E1055-K1059 IonicContact OE1-NZ 3.37Å; E1055-K1059 PolarHBondContact OE1-NZ 3.19Å; P1056-K1059 PolarHBondContact O-N 2.82Å; K1059-W1061 VanDerWaalsContact C-N 3.3Å; K1059-W1061 PolarHBondContact O-N 3.28Å; K1059-I1062 PolarHBondContact O-N 3.47Å; K1059-R1063 PolarHBondContact O-N 2.84Å
1060I84.8Confident81.3Confident12 Ų1245.9 Ų45.96%0.06223%0.228CC..Hα-helixtrans-60-42.5175.7-70168.9000110.8P1056 R1063 F1064 L1198 I1202 L1205 V1259 L1263P1056-I1060 WeakPolarHBondContact O-CG1 3.47Å; P1056-I1060 PolarHBondContact O-N 3.35Å; I1060-R1063 PolarHBondContact O-N 3.45Å; I1060-F1064 WeakPolarHBondContact O-CB 3.43Å; I1060-F1064 PolarHBondContact O-N 2.79Å; I1060-L1198 HydrophobicContact CG2-CD1 4.25Å; I1060-I1202 HydrophobicContact CD1-CG1 4.15Å; I1060-I1202 HydrophobicContact CG2-CD1 4.37Å; I1060-I1202 HydrophobicContact CG2-CG1 4.19Å; I1060-L1205 HydrophobicContact CD1-CD1 3.32Å; I1060-V1259 HydrophobicContact CD1-CG1 4.39Å; I1060-V1259 HydrophobicContact CG2-CG1 4.13Å; I1060-L1263 HydrophobicContact CG2-CD2 4.33Å
1061W86.9Confident81.4Confident17 Ų1745.3 Ų45.36%0.06422%0.224CC..Hα-helixtrans-62.7-46.3178.1172.4-114.5000112.9L1057 G1058 K1059 R1063 F1064 K1065 Y1262 L1263 R1266 I1267 E1270L1057-W1061 WeakPolarHBondContact O-CB 3.49Å; L1057-W1061 PolarHBondContact O-N 2.9Å; G1058-W1061 WeakPolarHBondContact O-CB 3.43Å; G1058-W1061 PolarHBondContact O-N 2.9Å; K1059-W1061 VanDerWaalsContact C-N 3.3Å; K1059-W1061 PolarHBondContact O-N 3.28Å; W1061-R1063 VanDerWaalsContact C-N 3.3Å; W1061-R1063 PolarHBondContact O-N 3.25Å; W1061-F1064 HydrophobicContact CE3-CD1 4.08Å; W1061-F1064 AromaticContact CZ3-CD1 3.81Å; W1061-F1064 HydrophobicContact CZ3-CD1 3.81Å; W1061-F1064 HydrophobicContact CZ3-CE1 4.31Å; W1061-F1064 PolarHBondContact O-N 2.99Å; W1061-K1065 WeakPolarHBondContact O-CB 3.43Å; W1061-K1065 PolarHBondContact O-N 3.42Å; W1061-Y1262 HydrophobicContact CB-CE1 4.36Å; W1061-L1263 HydrophobicContact CE3-CD2 3.71Å; W1061-L1263 HydrophobicContact CZ3-CD2 4.36Å; W1061-R1266 HydrophobicContact CD2-CB 3.88Å; W1061-R1266 HydrophobicContact CD2-CG 4.44Å; W1061-R1266 HydrophobicContact CE3-CB 3.85Å; W1061-R1266 HydrophobicContact CH2-CB 4.03Å; W1061-R1266 HydrophobicContact CZ2-CB 4.02Å; W1061-R1266 HydrophobicContact CZ3-CB 3.95Å; W1061-I1267 HydrophobicContact CH2-CG1 3.88Å; W1061-I1267 HydrophobicContact CZ3-CG1 3.76Å; W1061-E1270 WeakPolarHBondContact CH2-OE2 3.45Å; W1061-E1270 HydrophobicContact CZ2-CB 4.04Å; W1061-E1270 WeakPolarHBondContact CZ2-OE2 3.45Å
1062I83.3Confident81.5Confident97 Ų9744.1 Ų44.150%0.49722%0.219SC..Hα-helixtrans-58.1-46.8176.8-67.5164.8000109.8G1058 K1059 F1064 K1065 E1066G1058-I1062 WeakPolarHBondContact O-CG1 3.38Å; G1058-I1062 PolarHBondContact O-N 2.81Å; K1059-I1062 PolarHBondContact O-N 3.47Å; I1062-F1064 PolarHBondContact O-N 2.89Å; I1062-K1065 WeakPolarHBondContact O-CB 3.28Å; I1062-K1065 PolarHBondContact O-N 2.95Å; I1062-E1066 WeakPolarHBondContact O-CG 3.36Å; I1062-E1066 PolarHBondContact O-N 3.17Å
1063R81.1Confident81.4Confident87 Ų8748.7 Ų48.733%0.32824%0.24SC..Hα-helixtrans-64.1-40.7179.2-168.457.6166.7173.7-2.7112.9K1059 I1060 W1061 K1065 E1066 L1067 V1194 L1198K1059-R1063 PolarHBondContact O-N 2.84Å; I1060-R1063 PolarHBondContact O-N 3.45Å; W1061-R1063 VanDerWaalsContact C-N 3.3Å; W1061-R1063 PolarHBondContact O-N 3.25Å; R1063-K1065 VanDerWaalsContact C-N 3.3Å; R1063-K1065 PolarHBondContact O-N 2.77Å; R1063-E1066 WeakPolarHBondContact CD-OE2 3.47Å; R1063-E1066 IonicContact CZ-OE2 4Å; R1063-E1066 IonicContact NH1-OE2 2.7Å; R1063-E1066 PolarHBondContact NH1-OE2 3.41Å; R1063-E1066 PolarHBondContact O-N 3.22Å; R1063-L1067 WeakPolarHBondContact O-CG 3.47Å; R1063-L1067 PolarHBondContact O-N 3.41Å; R1063-V1194 VanDerWaalsContact NH2-CG1 3.27Å; R1063-L1198 HydrophobicContact CB-CD1 4.19Å; R1063-L1198 HydrophobicContact CG-CD1 4.03Å
1064F87.1Confident81.1Confident0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-63-37.7175.7-175.9-106.2000111.9I1060 W1061 I1062 L1067 K1068 W1195 L1198 L1263 I1267 Y1293 L1296 L1297 L1300I1060-F1064 WeakPolarHBondContact O-CB 3.43Å; I1060-F1064 PolarHBondContact O-N 2.79Å; W1061-F1064 HydrophobicContact CE3-CD1 4.08Å; W1061-F1064 AromaticContact CZ3-CD1 3.81Å; W1061-F1064 HydrophobicContact CZ3-CD1 3.81Å; W1061-F1064 HydrophobicContact CZ3-CE1 4.31Å; W1061-F1064 PolarHBondContact O-N 2.99Å; I1062-F1064 PolarHBondContact O-N 2.89Å; F1064-L1067 PolarHBondContact O-N 3.24Å; F1064-K1068 PolarHBondContact O-N 2.91Å; F1064-K1068 VanDerWaalsContact O-N 3.12Å; F1064-W1195 HydrophobicContact CD2-CH2 4.24Å; F1064-W1195 HydrophobicContact CD2-CZ3 4.25Å; F1064-W1195 HydrophobicContact CE2-CH2 4.02Å; F1064-W1195 HydrophobicContact CE2-CZ3 4.13Å; F1064-L1198 HydrophobicContact CD2-CD2 4.16Å; F1064-L1263 HydrophobicContact CB-CD2 4.27Å; F1064-L1263 HydrophobicContact CD1-CD2 4.22Å; F1064-L1263 HydrophobicContact CG-CD2 4.26Å; F1064-I1267 HydrophobicContact CE1-CD1 4.07Å; F1064-I1267 HydrophobicContact CE1-CG1 4.41Å; F1064-Y1293 HydrophobicContact CD1-CD1 4.33Å; F1064-Y1293 AromaticContact CE1-CD1 3.68Å; F1064-Y1293 HydrophobicContact CE1-CD1 3.68Å; F1064-Y1293 HydrophobicContact CE1-CE1 4.29Å; F1064-Y1293 HydrophobicContact CZ-CD1 4.48Å; F1064-L1296 HydrophobicContact CE2-CB 4.2Å; F1064-L1296 HydrophobicContact CZ-CB 4.03Å; F1064-L1297 HydrophobicContact CZ-CB 4.34Å; F1064-L1300 HydrophobicContact CD2-CD2 4.36Å; F1064-L1300 HydrophobicContact CE2-CD2 4.27Å
1065K84.8Confident81Confident70 Ų7048.6 Ų48.630%0.30423%0.231SC..Hα-helixtrans-67.2-45.8174.8-176.6172.7175172.90112.2W1061 I1062 R1063 L1067 K1068 D1069 E1270W1061-K1065 WeakPolarHBondContact O-CB 3.43Å; W1061-K1065 PolarHBondContact O-N 3.42Å; I1062-K1065 WeakPolarHBondContact O-CB 3.28Å; I1062-K1065 PolarHBondContact O-N 2.95Å; R1063-K1065 VanDerWaalsContact C-N 3.3Å; R1063-K1065 PolarHBondContact O-N 2.77Å; K1065-L1067 VanDerWaalsContact C-N 3.27Å; K1065-L1067 PolarHBondContact O-N 3.06Å; K1065-K1068 WeakPolarHBondContact O-CB 3.24Å; K1065-K1068 PolarHBondContact O-N 3.13Å; K1065-K1068 VanDerWaalsContact O-N 3.13Å; K1065-D1069 PolarHBondContact O-N 3.17Å; K1065-E1270 WeakPolarHBondContact CE-OE1 3.36Å; K1065-E1270 IonicContact NZ-OE1 2.9Å; K1065-E1270 PolarHBondContact NZ-OE1 3.42Å
1066E83Confident81.1Confident92 Ų9243 Ų4343%0.4321%0.205SC..Hα-helixtrans-55.6-42.8174.3-72.2172.9179.200111.8I1062 R1063 K1068 D1069 Q1070I1062-E1066 WeakPolarHBondContact O-CG 3.36Å; I1062-E1066 PolarHBondContact O-N 3.17Å; R1063-E1066 WeakPolarHBondContact CD-OE2 3.47Å; R1063-E1066 IonicContact CZ-OE2 4Å; R1063-E1066 IonicContact NH1-OE2 2.7Å; R1063-E1066 PolarHBondContact NH1-OE2 3.41Å; R1063-E1066 PolarHBondContact O-N 3.22Å; E1066-K1068 VanDerWaalsContact C-N 3.35Å; E1066-K1068 PolarHBondContact O-N 2.93Å; E1066-D1069 PolarHBondContact O-N 3.43Å; E1066-Q1070 WeakPolarHBondContact O-CB 3.43Å; E1066-Q1070 PolarHBondContact O-N 3.48Å
1067L82.8Confident81Confident3 Ų343 Ų432%0.01621%0.206CC..Hα-helixtrans-66.6-34178.1-80.6175.4000113.5R1063 F1064 K1065 R1071 V1194 W1195 L1198R1063-L1067 WeakPolarHBondContact O-CG 3.47Å; R1063-L1067 PolarHBondContact O-N 3.41Å; F1064-L1067 PolarHBondContact O-N 3.24Å; K1065-L1067 VanDerWaalsContact C-N 3.27Å; K1065-L1067 PolarHBondContact O-N 3.06Å; L1067-R1071 WeakPolarHBondContact O-CB 3.32Å; L1067-R1071 PolarHBondContact O-N 2.95Å; L1067-V1194 HydrophobicContact CD1-CG1 4.27Å; L1067-V1194 HydrophobicContact CD2-CB 4.14Å; L1067-V1194 HydrophobicContact CD2-CG1 3.54Å; L1067-V1194 HydrophobicContact CG-CG1 4.19Å; L1067-W1195 HydrophobicContact CB-CH2 4.15Å; L1067-W1195 HydrophobicContact CB-CZ2 3.78Å; L1067-W1195 HydrophobicContact CD1-CD2 3.95Å; L1067-W1195 HydrophobicContact CD1-CE3 4.06Å; L1067-W1195 HydrophobicContact CD1-CG 4.48Å; L1067-W1195 HydrophobicContact CD1-CH2 4.23Å; L1067-W1195 HydrophobicContact CD1-CZ2 4.15Å; L1067-W1195 HydrophobicContact CD1-CZ3 4.2Å; L1067-W1195 HydrophobicContact CG-CZ2 4.42Å; L1067-L1198 HydrophobicContact CD1-CB 4.24Å; L1067-L1198 HydrophobicContact CD1-CD2 3.69Å
1068K85.8Confident80.8Confident9 Ų943 Ų434%0.03921%0.206CC..Hα-helixtrans-65.1-45.2173178.2-99.5-178.8173.20111.1F1064 K1065 E1066 R1071 L1072 F1078 E1289 Q1292 Y1293 L1296F1064-K1068 PolarHBondContact O-N 2.91Å; F1064-K1068 VanDerWaalsContact O-N 3.12Å; K1065-K1068 WeakPolarHBondContact O-CB 3.24Å; K1065-K1068 PolarHBondContact O-N 3.13Å; K1065-K1068 VanDerWaalsContact O-N 3.13Å; E1066-K1068 VanDerWaalsContact C-N 3.35Å; E1066-K1068 PolarHBondContact O-N 2.93Å; K1068-R1071 PolarHBondContact O-N 2.98Å; K1068-L1072 HydrophobicContact CD-CD1 4.01Å; K1068-L1072 PolarHBondContact O-N 2.84Å; K1068-L1072 VanDerWaalsContact O-N 3.08Å; K1068-F1078 HydrophobicContact CG-CE1 4.37Å; K1068-E1289 IonicContact NZ-OE1 3.9Å; K1068-E1289 PolarHBondContact NZ-OE1 3.39Å; K1068-Q1292 VanDerWaalsContact CE-OE1 3.3Å; K1068-Y1293 HydrophobicContact CB-CD1 4.3Å; K1068-Y1293 HydrophobicContact CB-CE1 3.84Å; K1068-Y1293 HydrophobicContact CD-CE1 3.85Å; K1068-Y1293 HydrophobicContact CG-CD1 3.98Å; K1068-Y1293 HydrophobicContact CG-CE1 3.65Å; K1068-L1296 HydrophobicContact CB-CD1 3.51Å; K1068-L1296 HydrophobicContact CG-CD1 3.64Å
1069D80.5Confident80.6Confident67 Ų6744 Ų4436%0.35821%0.205SC..Hα-helixtrans-66.8-41.6178.7-67.3-23.9000111K1065 E1066 R1071 L1072 E1073K1065-D1069 PolarHBondContact O-N 3.17Å; E1066-D1069 PolarHBondContact O-N 3.43Å; D1069-R1071 VanDerWaalsContact C-N 3.29Å; D1069-R1071 PolarHBondContact O-N 3.35Å; D1069-L1072 WeakPolarHBondContact O-CB 3.47Å; D1069-L1072 PolarHBondContact O-N 3.46Å; D1069-E1073 PolarHBondContact O-N 3.27Å; D1069-E1073 VanDerWaalsContact O-N 3.16Å
1070Q78.3Confident80.4Confident61 Ų6141.5 Ų41.529%0.28520%0.197SC..Hα-helixtrans-58.1-41.3172.4-173.9-179.2-9.100111.7E1066 L1072 E1073 E1074E1066-Q1070 WeakPolarHBondContact O-CB 3.43Å; E1066-Q1070 PolarHBondContact O-N 3.48Å; Q1070-L1072 PolarHBondContact O-N 2.97Å; Q1070-E1073 WeakPolarHBondContact O-CB 3.34Å; Q1070-E1073 PolarHBondContact O-N 3.05Å; Q1070-E1073 VanDerWaalsContact O-N 3.12Å; Q1070-E1074 PolarHBondContact NE2-OE1 3.45Å; Q1070-E1074 WeakPolarHBondContact O-CG 3.35Å; Q1070-E1074 PolarHBondContact O-N 3.38Å; Q1070-E1074 VanDerWaalsContact O-N 3.13Å
1071R80.5Confident79.8Confident3 Ų347 Ų471%0.01122%0.218CC..Hα-helixtrans-67.7-35.7178.8-169.360179.1-167.2-0.7112.8L1067 K1068 D1069 E1073 E1074 D1075 F1078 F1125 L1296L1067-R1071 WeakPolarHBondContact O-CB 3.32Å; L1067-R1071 PolarHBondContact O-N 2.95Å; K1068-R1071 PolarHBondContact O-N 2.98Å; D1069-R1071 VanDerWaalsContact C-N 3.29Å; D1069-R1071 PolarHBondContact O-N 3.35Å; R1071-E1073 PolarHBondContact O-N 2.88Å; R1071-E1074 IonicContact NH1-OE2 3.54Å; R1071-E1074 PolarHBondContact O-N 3.2Å; R1071-D1075 HydrophobicContact CG-CB 4.44Å; R1071-D1075 IonicContact CZ-OD2 2.91Å; R1071-D1075 IonicContact NE-OD2 2.69Å; R1071-D1075 PolarHBondContact NE-OD2 2.82Å; R1071-D1075 IonicContact NH2-OD2 3.46Å; R1071-D1075 PolarHBondContact NH2-OD2 2.83Å; R1071-D1075 PolarHBondContact O-N 3.37Å; R1071-F1078 HydrophobicContact CB-CD1 4.48Å; R1071-F1078 HydrophobicContact CG-CD1 4.22Å; R1071-F1078 HydrophobicContact CG-CG 4.33Å; R1071-F1125 PolarHBondContact NH1-O 3.2Å; R1071-F1125 PolarHBondContact NH2-O 3.49Å; R1071-L1296 HydrophobicContact CG-CD2 4.4Å
1072L77.7Confident79.2Confident32 Ų3249.1 Ų49.117%0.16823%0.228CC..Hα-helixtrans-62.9-28.4172-77.7168.9000112.4K1068 D1069 Q1070 F1078 H1079 R1103K1068-L1072 HydrophobicContact CD-CD1 4.01Å; K1068-L1072 PolarHBondContact O-N 2.84Å; K1068-L1072 VanDerWaalsContact O-N 3.08Å; D1069-L1072 WeakPolarHBondContact O-CB 3.47Å; D1069-L1072 PolarHBondContact O-N 3.46Å; Q1070-L1072 PolarHBondContact O-N 2.97Å; L1072-F1078 HydrophobicContact CD2-CD1 3.56Å; L1072-F1078 HydrophobicContact CD2-CE1 4.25Å; L1072-F1078 HydrophobicContact CD2-CG 4.46Å; L1072-F1078 HydrophobicContact CG-CD1 3.77Å; L1072-F1078 HydrophobicContact CG-CE1 4.17Å; L1072-H1079 PolarHBondContact O-CE1 2.79Å; L1072-R1103 PolarHBondContact O-NH2 2.95Å
1073E73.8Confident78.9Confident132 Ų13244.6 Ų44.662%0.61721%0.205SC*.Hα-helixtrans-76.2-37.8175.2-68.3-179.1178.300112.2D1069 Q1070 R1071 R1103D1069-E1073 PolarHBondContact O-N 3.27Å; D1069-E1073 VanDerWaalsContact O-N 3.16Å; Q1070-E1073 WeakPolarHBondContact O-CB 3.34Å; Q1070-E1073 PolarHBondContact O-N 3.05Å; Q1070-E1073 VanDerWaalsContact O-N 3.12Å; R1071-E1073 PolarHBondContact O-N 2.88Å; E1073-R1103 PolarHBondContact O-NE 3.39Å
1074E73.3Confident78.5Confident51 Ų5142.9 Ų42.924%0.23820%0.203CC..Hα-helixtrans-83.1-40.8-175-67.3175.3-176.400114.4Q1070 R1071 S1191Q1070-E1074 PolarHBondContact NE2-OE1 3.45Å; Q1070-E1074 WeakPolarHBondContact O-CG 3.35Å; Q1070-E1074 PolarHBondContact O-N 3.38Å; Q1070-E1074 VanDerWaalsContact O-N 3.13Å; R1071-E1074 IonicContact NH1-OE2 3.54Å; R1071-E1074 PolarHBondContact O-N 3.2Å; E1074-S1191 PolarHBondContact OE1-OG 2.93Å
1075D77.6Confident78Confident0 Ų049.8 Ų49.80%024%0.24CC..BIsolated β-bridgetrans-116.1118.2-165.5-167.3-13.5000112.8R1071 S1077 F1078 H1079 Y1098 K1101 P1124R1071-D1075 HydrophobicContact CG-CB 4.44Å; R1071-D1075 IonicContact CZ-OD2 2.91Å; R1071-D1075 IonicContact NE-OD2 2.69Å; R1071-D1075 PolarHBondContact NE-OD2 2.82Å; R1071-D1075 IonicContact NH2-OD2 3.46Å; R1071-D1075 PolarHBondContact NH2-OD2 2.83Å; R1071-D1075 PolarHBondContact O-N 3.37Å; D1075-S1077 VanDerWaalsContact C-N 3.33Å; D1075-S1077 WeakPolarHBondContact OD1-CB 3.48Å; D1075-S1077 PolarHBondContact OD1-N 3.42Å; D1075-S1077 PolarHBondContact OD1-OG 2.75Å; D1075-S1077 PolarHBondContact OD2-OG 3.3Å; D1075-F1078 HydrophobicContact CB-CB 4.27Å; D1075-F1078 WeakPolarHBondContact O-CB 3.29Å; D1075-F1078 PolarHBondContact O-N 3.08Å; D1075-H1079 PolarHBondContact O-ND1 3.19Å; D1075-Y1098 VanDerWaalsContact OD2-CE1 3.27Å; D1075-Y1098 WeakPolarHBondContact OD2-CE1 3.41Å; D1075-Y1098 VanDerWaalsContact OD2-CZ 3.31Å; D1075-Y1098 PolarHBondContact OD2-OH 3.47Å; D1075-K1101 PolarHBondContact OD1-N 3.38Å; D1075-K1101 VanDerWaalsContact OD1-O 3.09Å; D1075-P1124 HydrophobicContact CB-CB 4.02Å; D1075-P1124 HydrophobicContact CB-CG 4.27Å
1076E77.8Confident77.5Confident17 Ų1749.2 Ų49.28%0.07924%0.238CC..G310 helixtrans-73.7-28.5179.9-154.3-175.4133.500112.8F1078 H1079 Y1081 K1082 K1101 R1103 V1104E1076-F1078 PolarHBondContact O-N 3.17Å; E1076-F1078 VanDerWaalsContact O-N 3.15Å; E1076-H1079 PolarHBondContact O-N 3.25Å; E1076-H1079 VanDerWaalsContact O-N 3.16Å; E1076-Y1081 WeakPolarHBondContact CG-OH 3.01Å; E1076-Y1081 PolarHBondContact OE1-OH 3.45Å; E1076-Y1081 VanDerWaalsContact OE1-OH 3.08Å; E1076-K1082 VanDerWaalsContact CG-NZ 3.35Å; E1076-K1082 WeakPolarHBondContact O-CD 3.45Å; E1076-K1082 VanDerWaalsContact OE1-CE 3.29Å; E1076-K1082 WeakPolarHBondContact OE1-CE 3.44Å; E1076-K1082 IonicContact OE1-NZ 3.62Å; E1076-K1082 PolarHBondContact OE1-NZ 2.98Å; E1076-K1082 IonicContact OE2-NZ 2.69Å; E1076-K1101 PolarHBondContact N-O 2.89Å; E1076-R1103 HydrophobicContact CB-CG 4.17Å; E1076-R1103 WeakPolarHBondContact OE2-CA 3.42Å; E1076-V1104 VanDerWaalsContact CD-CG2 3.49Å; E1076-V1104 VanDerWaalsContact OE1-CG2 3.29Å; E1076-V1104 WeakPolarHBondContact OE1-CG2 3.44Å; E1076-V1104 VanDerWaalsContact OE2-CB 3.28Å; E1076-V1104 WeakPolarHBondContact OE2-CB 3.45Å; E1076-V1104 WeakPolarHBondContact OE2-CG2 3.24Å; E1076-V1104 PolarHBondContact OE2-N 3.34Å
1077S78Confident77Confident14 Ų1446.6 Ų46.610%0.09823%0.227CC..G310 helixtrans-64.2-16.117767.20000112.8D1075 Y1098 T1099D1075-S1077 VanDerWaalsContact C-N 3.33Å; D1075-S1077 WeakPolarHBondContact OD1-CB 3.48Å; D1075-S1077 PolarHBondContact OD1-N 3.42Å; D1075-S1077 PolarHBondContact OD1-OG 2.75Å; D1075-S1077 PolarHBondContact OD2-OG 3.3Å; S1077-Y1098 VanDerWaalsContact OG-CZ 3.22Å; S1077-Y1098 PolarHBondContact OG-OH 2.89Å; S1077-T1099 PolarHBondContact OG-O 3.28Å
1078F78.2Confident76.5Confident0 Ų054.5 Ų54.50%027%0.269CS..G310 helixtrans-88.9-9.3178.9-149.4-115.9000113.9K1068 R1071 L1072 D1075 E1076 L1083 Y1098 Q1292 I1295 L1296K1068-F1078 HydrophobicContact CG-CE1 4.37Å; R1071-F1078 HydrophobicContact CB-CD1 4.48Å; R1071-F1078 HydrophobicContact CG-CD1 4.22Å; R1071-F1078 HydrophobicContact CG-CG 4.33Å; L1072-F1078 HydrophobicContact CD2-CD1 3.56Å; L1072-F1078 HydrophobicContact CD2-CE1 4.25Å; L1072-F1078 HydrophobicContact CD2-CG 4.46Å; L1072-F1078 HydrophobicContact CG-CD1 3.77Å; L1072-F1078 HydrophobicContact CG-CE1 4.17Å; D1075-F1078 HydrophobicContact CB-CB 4.27Å; D1075-F1078 WeakPolarHBondContact O-CB 3.29Å; D1075-F1078 PolarHBondContact O-N 3.08Å; E1076-F1078 PolarHBondContact O-N 3.17Å; E1076-F1078 VanDerWaalsContact O-N 3.15Å; F1078-L1083 VanDerWaalsContact O-CD1 3.31Å; F1078-L1083 WeakPolarHBondContact O-CD1 3.35Å; F1078-Y1098 HydrophobicContact CD2-CE2 4.14Å; F1078-Y1098 WeakPolarHBondContact CD2-OH 3.38Å; F1078-Q1292 HydrophobicContact CD1-CG 4.13Å; F1078-Q1292 HydrophobicContact CE1-CB 3.69Å; F1078-Q1292 HydrophobicContact CE1-CG 3.71Å; F1078-Q1292 HydrophobicContact CE2-CB 4.2Å; F1078-Q1292 HydrophobicContact CE2-CG 4.22Å; F1078-Q1292 HydrophobicContact CZ-CB 3.46Å; F1078-Q1292 VanDerWaalsContact CZ-CB 3.46Å; F1078-Q1292 HydrophobicContact CZ-CG 3.76Å; F1078-Q1292 WeakPolarHBondContact CZ-O 3.34Å; F1078-Q1292 PolarHBondContact O-NE2 3.35Å; F1078-I1295 HydrophobicContact CE2-CB 4.3Å; F1078-I1295 HydrophobicContact CE2-CD1 4.34Å; F1078-I1295 HydrophobicContact CE2-CG2 4.29Å; F1078-L1296 HydrophobicContact CE1-CD1 4.11Å; F1078-L1296 HydrophobicContact CE2-CD2 4.46Å; F1078-L1296 HydrophobicContact CE2-CG 4.28Å; F1078-L1296 HydrophobicContact CZ-CD1 3.73Å; F1078-L1296 HydrophobicContact CZ-CD2 4.16Å; F1078-L1296 HydrophobicContact CZ-CG 3.69Å
1079H76Confident75.9Confident39 Ų3958.2 Ų58.218%0.18129%0.287CS..SBendtrans-74.2151.3-179.7-7759.1000113L1072 D1075 E1076 Y1081 K1082 L1083 R1103L1072-H1079 PolarHBondContact O-CE1 2.79Å; D1075-H1079 PolarHBondContact O-ND1 3.19Å; E1076-H1079 PolarHBondContact O-N 3.25Å; E1076-H1079 VanDerWaalsContact O-N 3.16Å; H1079-Y1081 VanDerWaalsContact C-N 3.32Å; H1079-Y1081 HydrophobicContact CB-CD1 3.89Å; H1079-Y1081 HydrophobicContact CB-CE1 3.4Å; H1079-Y1081 AromaticContact CG-CE1 3.99Å; H1079-Y1081 PolarHBondContact O-N 3Å; H1079-Y1081 VanDerWaalsContact O-N 3.14Å; H1079-K1082 PolarHBondContact O-N 3.47Å; H1079-L1083 PolarHBondContact O-N 3.42Å; H1079-R1103 PolarHBondContact CE1-NE 3.07Å; H1079-R1103 VanDerWaalsContact CE1-NE 3.28Å; H1079-R1103 PolarHBondContact CE1-NH2 2.87Å; H1079-R1103 PolarHBondContact NE2-NH2 3.1Å
1080D76Confident75.4Confident68 Ų6859.3 Ų59.336%0.36429%0.293SS..Hα-helixtrans-48-48.9-171.6-57.5-4.2000113.6K1082 L1083 V1084 I1288 Q1292D1080-K1082 VanDerWaalsContact C-N 3.25Å; D1080-K1082 PolarHBondContact O-N 2.83Å; D1080-L1083 PolarHBondContact O-N 3.35Å; D1080-L1083 VanDerWaalsContact O-N 3.15Å; D1080-V1084 WeakPolarHBondContact O-CG2 3.33Å; D1080-V1084 PolarHBondContact O-N 2.74Å; D1080-I1288 HydrophobicContact CB-CD1 4.12Å; D1080-I1288 HydrophobicContact CB-CG2 4.06Å; D1080-Q1292 PolarHBondContact OD1-NE2 3.34Å; D1080-Q1292 VanDerWaalsContact OD1-NE2 3.12Å
1081Y73.5Confident75.1Confident129 Ų12958.2 Ų58.251%0.50629%0.29SS..Hα-helixtrans-65.4-20.2-175.760.4-88.8000114.7E1076 H1079E1076-Y1081 WeakPolarHBondContact CG-OH 3.01Å; E1076-Y1081 PolarHBondContact OE1-OH 3.45Å; E1076-Y1081 VanDerWaalsContact OE1-OH 3.08Å; H1079-Y1081 VanDerWaalsContact C-N 3.32Å; H1079-Y1081 HydrophobicContact CB-CD1 3.89Å; H1079-Y1081 HydrophobicContact CB-CE1 3.4Å; H1079-Y1081 AromaticContact CG-CE1 3.99Å; H1079-Y1081 PolarHBondContact O-N 3Å; H1079-Y1081 VanDerWaalsContact O-N 3.14Å
1082K73.9Confident74.7Confident61 Ų6160.2 Ų60.227%0.26530%0.303SS..Hα-helixtrans-93.5-21.5175.8-67.3-169.6-173.2170.80113.2E1076 H1079 D1080E1076-K1082 VanDerWaalsContact CG-NZ 3.35Å; E1076-K1082 WeakPolarHBondContact O-CD 3.45Å; E1076-K1082 VanDerWaalsContact OE1-CE 3.29Å; E1076-K1082 WeakPolarHBondContact OE1-CE 3.44Å; E1076-K1082 IonicContact OE1-NZ 3.62Å; E1076-K1082 PolarHBondContact OE1-NZ 2.98Å; E1076-K1082 IonicContact OE2-NZ 2.69Å; H1079-K1082 PolarHBondContact O-N 3.47Å; D1080-K1082 VanDerWaalsContact C-N 3.25Å; D1080-K1082 PolarHBondContact O-N 2.83Å
1083L76.6Confident74.4Confident2 Ų262.7 Ų62.71%0.0132%0.316CS..Hα-helixtrans-89.5-16.8-179.9-71177.1000112.9F1078 H1079 D1080 D1085 K1086 L1087 I1288 L1291 Q1292 I1295F1078-L1083 VanDerWaalsContact O-CD1 3.31Å; F1078-L1083 WeakPolarHBondContact O-CD1 3.35Å; H1079-L1083 PolarHBondContact O-N 3.42Å; D1080-L1083 PolarHBondContact O-N 3.35Å; D1080-L1083 VanDerWaalsContact O-N 3.15Å; L1083-D1085 VanDerWaalsContact C-N 3.26Å; L1083-D1085 PolarHBondContact O-N 3.22Å; L1083-K1086 PolarHBondContact O-N 2.92Å; L1083-L1087 PolarHBondContact O-N 3.28Å; L1083-I1288 HydrophobicContact CB-CG2 4.38Å; L1083-L1291 HydrophobicContact CB-CD2 4.35Å; L1083-L1291 HydrophobicContact CD2-CD2 4.31Å; L1083-Q1292 HydrophobicContact CD1-CG 3.55Å; L1083-I1295 HydrophobicContact CD2-CD1 4.23Å
1084V74.1Confident74.4Confident50 Ų5056.4 Ų56.430%0.30329%0.287SS..G310 helixtrans-50.6-45.3178.6-171.70000112.1D1080 K1086 L1087 I1288D1080-V1084 WeakPolarHBondContact O-CG2 3.33Å; D1080-V1084 PolarHBondContact O-N 2.74Å; V1084-K1086 PolarHBondContact O-N 3.4Å; V1084-L1087 HydrophobicContact CG1-CD1 4.49Å; V1084-L1087 WeakPolarHBondContact O-CG 3.44Å; V1084-L1087 PolarHBondContact O-N 2.98Å; V1084-I1288 HydrophobicContact CG2-CD1 3.91Å
1085D75Confident74.5Confident145 Ų14555 Ų5578%0.77528%0.281SS*.G310 helixtrans-70-15.8-177.1-62.6-22000113.1L1083L1083-D1085 VanDerWaalsContact C-N 3.26Å; L1083-D1085 PolarHBondContact O-N 3.22Å
1086K75.1Confident74.3Confident58 Ų5859.9 Ų59.925%0.25231%0.305SS..G310 helixtrans-103.21.2-176.1-62.2-168179.5-174.70114.2L1083 V1084 N1088 E1089 V1094 L1291L1083-K1086 PolarHBondContact O-N 2.92Å; V1084-K1086 PolarHBondContact O-N 3.4Å; K1086-N1088 PolarHBondContact O-N 2.95Å; K1086-N1088 VanDerWaalsContact O-N 3.13Å; K1086-E1089 PolarHBondContact O-N 3.47Å; K1086-V1094 HydrophobicContact CB-CG2 4.25Å; K1086-V1094 HydrophobicContact CD-CG1 3.88Å; K1086-V1094 HydrophobicContact CD-CG2 4.45Å; K1086-L1291 HydrophobicContact CB-CD2 4.41Å
1087L72Confident74Confident38 Ų3864 Ų6420%0.19933%0.328CS..THydrogen-bonded Turntrans-57.6-29-177.1-73.9172.2000113.9L1083 V1084 E1287 I1288 L1291L1083-L1087 PolarHBondContact O-N 3.28Å; V1084-L1087 HydrophobicContact CG1-CD1 4.49Å; V1084-L1087 WeakPolarHBondContact O-CG 3.44Å; V1084-L1087 PolarHBondContact O-N 2.98Å; L1087-E1287 HydrophobicContact CD2-CB 3.91Å; L1087-I1288 HydrophobicContact CD1-CG1 4.07Å; L1087-I1288 HydrophobicContact CD2-CG1 3.85Å; L1087-I1288 HydrophobicContact CG-CG1 4.31Å; L1087-L1291 HydrophobicContact CD2-CB 4.4Å; L1087-L1291 HydrophobicContact CD2-CD2 4.23Å
1088N73Confident74Confident169 Ų16963.5 Ų63.590%0.90432%0.324SS*.THydrogen-bonded Turntrans-86.3-7.4179.7-64.5-30.6000113.9K1086K1086-N1088 PolarHBondContact O-N 2.95Å; K1086-N1088 VanDerWaalsContact O-N 3.13Å
1089E72.2Confident73.8Confident87 Ų8767.8 Ų67.841%0.40735%0.35SS..SBendtrans-86.6146.1-179.8-66-175.6175.600110.9K1086 V1094K1086-E1089 PolarHBondContact O-N 3.47Å; E1089-V1094 HydrophobicContact CB-CG2 3.56Å
1090N71.7Confident73.8Confident90 Ų9067.4 Ų67.448%0.48135%0.351SS..  trans-61.6130.1174.3-171.8-27.8000109.3T1092 N1093 V1094N1090-T1092 VanDerWaalsContact CG-OG1 3.25Å; N1090-T1092 PolarHBondContact O-N 3.34Å; N1090-T1092 PolarHBondContact OD1-N 3.49Å; N1090-T1092 PolarHBondContact OD1-OG1 3.29Å; N1090-N1093 WeakPolarHBondContact O-CA 3.33Å; N1090-N1093 WeakPolarHBondContact O-CB 3.21Å; N1090-N1093 PolarHBondContact O-N 3.17Å; N1090-V1094 PolarHBondContact O-N 3.41Å; N1090-V1094 VanDerWaalsContact O-N 3.09Å
1091P70.4Confident73.7Confident37 Ų3769.5 Ų69.524%0.2436%0.357CS..Hα-helixtrans-52.9-30.6-177.816.4-31.9000114V1094 F1095 L1291P1091-V1094 PolarHBondContact O-N 3.29Å; P1091-F1095 VanDerWaalsContact O-CB 3.3Å; P1091-F1095 WeakPolarHBondContact O-CB 3.43Å; P1091-F1095 PolarHBondContact O-N 2.91Å; P1091-L1291 HydrophobicContact CB-CD1 4.29Å
1092T71.7Confident73.8Confident45 Ų4565.3 Ų65.328%0.27634%0.34SS..Hα-helixtrans-65-40.3173.332.10000112.8N1090 F1095 I1096 E1298N1090-T1092 VanDerWaalsContact CG-OG1 3.25Å; N1090-T1092 PolarHBondContact O-N 3.34Å; N1090-T1092 PolarHBondContact OD1-N 3.49Å; N1090-T1092 PolarHBondContact OD1-OG1 3.29Å; T1092-F1095 PolarHBondContact O-N 3.44Å; T1092-I1096 WeakPolarHBondContact O-CD1 3.46Å; T1092-I1096 VanDerWaalsContact O-CG1 3.24Å; T1092-I1096 WeakPolarHBondContact O-CG1 3.45Å; T1092-I1096 PolarHBondContact O-N 3.01Å; T1092-E1298 HydrophobicContact CG2-CG 4.08Å; T1092-E1298 WeakPolarHBondContact CG2-OE2 3.3Å
1093N73.4Confident73.7Confident84 Ų8465.8 Ų65.845%0.44934%0.34SS..Hα-helixtrans-68.3-40175.4-68.1-12.4000111.1N1090 F1095 I1096 N1097N1090-N1093 WeakPolarHBondContact O-CA 3.33Å; N1090-N1093 WeakPolarHBondContact O-CB 3.21Å; N1090-N1093 PolarHBondContact O-N 3.17Å; N1093-F1095 VanDerWaalsContact C-N 3.31Å; N1093-F1095 PolarHBondContact O-N 3.05Å; N1093-I1096 PolarHBondContact O-N 3.43Å; N1093-N1097 WeakPolarHBondContact O-CB 3.36Å; N1093-N1097 PolarHBondContact O-N 3.48Å; N1093-N1097 PolarHBondContact O-ND2 2.9Å
1094V72.9Confident73.4Confident0 Ų068.5 Ų68.50%036%0.357CS..Hα-helixtrans-62-42.2176.2-179.90000110.6K1086 E1089 N1090 P1091 N1097 Y1098 I1295K1086-V1094 HydrophobicContact CB-CG2 4.25Å; K1086-V1094 HydrophobicContact CD-CG1 3.88Å; K1086-V1094 HydrophobicContact CD-CG2 4.45Å; E1089-V1094 HydrophobicContact CB-CG2 3.56Å; N1090-V1094 PolarHBondContact O-N 3.41Å; N1090-V1094 VanDerWaalsContact O-N 3.09Å; P1091-V1094 PolarHBondContact O-N 3.29Å; V1094-N1097 CarbonylContact O-C 3.58Å; V1094-Y1098 WeakPolarHBondContact O-CA 3.06Å; V1094-Y1098 WeakPolarHBondContact O-CB 3.49Å; V1094-Y1098 PolarHBondContact O-N 3.07Å; V1094-I1295 HydrophobicContact CG1-CD1 3.67Å; V1094-I1295 HydrophobicContact CG1-CG1 4.1Å
1095F75Confident73.4Confident23 Ų2370.6 Ų70.610%0.10136%0.36CS..Hα-helixtrans-63.6-48.5176172.3-103.9000112.5P1091 T1092 N1093 N1097 Y1098 F1127 I1295 E1298 Y1299P1091-F1095 VanDerWaalsContact O-CB 3.3Å; P1091-F1095 WeakPolarHBondContact O-CB 3.43Å; P1091-F1095 PolarHBondContact O-N 2.91Å; T1092-F1095 PolarHBondContact O-N 3.44Å; N1093-F1095 VanDerWaalsContact C-N 3.31Å; N1093-F1095 PolarHBondContact O-N 3.05Å; F1095-N1097 VanDerWaalsContact C-N 3.31Å; F1095-N1097 PolarHBondContact O-N 2.97Å; F1095-Y1098 WeakPolarHBondContact O-CB 3.48Å; F1095-Y1098 PolarHBondContact O-N 3.07Å; F1095-Y1098 VanDerWaalsContact O-N 3.08Å; F1095-F1127 HydrophobicContact CD2-CD2 4.15Å; F1095-F1127 HydrophobicContact CE2-CB 3.7Å; F1095-F1127 AromaticContact CE2-CD2 3.97Å; F1095-F1127 HydrophobicContact CE2-CD2 3.97Å; F1095-F1127 AromaticContact CE2-CG 3.91Å; F1095-F1127 HydrophobicContact CE2-CG 3.91Å; F1095-F1127 HydrophobicContact CZ-CB 4.2Å; F1095-I1295 HydrophobicContact CD2-CG2 4.28Å; F1095-E1298 HydrophobicContact CB-CB 4.25Å; F1095-E1298 HydrophobicContact CD1-CB 4.3Å; F1095-E1298 HydrophobicContact CD2-CB 4.37Å; F1095-E1298 HydrophobicContact CG-CB 4.04Å; F1095-Y1299 AromaticContact CE2-CD2 3.88Å; F1095-Y1299 HydrophobicContact CE2-CD2 3.88Å; F1095-Y1299 HydrophobicContact CE2-CG 4.22Å; F1095-Y1299 HydrophobicContact CZ-CD2 4.1Å
1096I73.6Confident73.2Confident101 Ų10166.4 Ų66.452%0.51833%0.334SS..Hα-helixtrans-61.3-41.2179.8-68.5162.8000111.3T1092 N1093 Y1098T1092-I1096 WeakPolarHBondContact O-CD1 3.46Å; T1092-I1096 VanDerWaalsContact O-CG1 3.24Å; T1092-I1096 WeakPolarHBondContact O-CG1 3.45Å; T1092-I1096 PolarHBondContact O-N 3.01Å; N1093-I1096 PolarHBondContact O-N 3.43Å; I1096-Y1098 VanDerWaalsContact C-N 3.25Å; I1096-Y1098 PolarHBondContact O-N 3.44Å
1097N72.1Confident73.1Confident104 Ų10467 Ų6756%0.55634%0.339SS*.THydrogen-bonded Turntrans-87.510.4179.2-64.3-25.7000112.9N1093 V1094 F1095 T1099N1093-N1097 WeakPolarHBondContact O-CB 3.36Å; N1093-N1097 PolarHBondContact O-N 3.48Å; N1093-N1097 PolarHBondContact O-ND2 2.9Å; V1094-N1097 CarbonylContact O-C 3.58Å; F1095-N1097 VanDerWaalsContact C-N 3.31Å; F1095-N1097 PolarHBondContact O-N 2.97Å; N1097-T1099 PolarHBondContact O-N 3.35Å
1098Y76.8Confident73.2Confident3 Ų371.1 Ų71.11%0.01236%0.358CS..  trans-74.6116.8-175.7-168.3-91000110.8D1075 S1077 F1078 V1094 F1095 I1096 P1100 F1127 I1295D1075-Y1098 VanDerWaalsContact OD2-CE1 3.27Å; D1075-Y1098 WeakPolarHBondContact OD2-CE1 3.41Å; D1075-Y1098 VanDerWaalsContact OD2-CZ 3.31Å; D1075-Y1098 PolarHBondContact OD2-OH 3.47Å; S1077-Y1098 VanDerWaalsContact OG-CZ 3.22Å; S1077-Y1098 PolarHBondContact OG-OH 2.89Å; F1078-Y1098 HydrophobicContact CD2-CE2 4.14Å; F1078-Y1098 WeakPolarHBondContact CD2-OH 3.38Å; V1094-Y1098 WeakPolarHBondContact O-CA 3.06Å; V1094-Y1098 WeakPolarHBondContact O-CB 3.49Å; V1094-Y1098 PolarHBondContact O-N 3.07Å; F1095-Y1098 WeakPolarHBondContact O-CB 3.48Å; F1095-Y1098 PolarHBondContact O-N 3.07Å; F1095-Y1098 VanDerWaalsContact O-N 3.08Å; I1096-Y1098 VanDerWaalsContact C-N 3.25Å; I1096-Y1098 PolarHBondContact O-N 3.44Å; Y1098-P1100 HydrophobicContact CE1-CB 4.45Å; Y1098-P1100 HydrophobicContact CE1-CG 4.33Å; Y1098-F1127 AromaticContact CD1-CD2 3.35Å; Y1098-F1127 HydrophobicContact CD1-CD2 3.35Å; Y1098-F1127 AromaticContact CD1-CE2 3.47Å; Y1098-F1127 HydrophobicContact CD1-CE2 3.47Å; Y1098-F1127 VanDerWaalsContact CD1-CE2 3.47Å; Y1098-F1127 HydrophobicContact CD1-CG 4.46Å; Y1098-F1127 AromaticContact CE1-CD2 3.79Å; Y1098-F1127 HydrophobicContact CE1-CD2 3.79Å; Y1098-F1127 AromaticContact CE1-CE2 3.42Å; Y1098-F1127 HydrophobicContact CE1-CE2 3.42Å; Y1098-F1127 VanDerWaalsContact CE1-CE2 3.42Å; Y1098-F1127 HydrophobicContact CE1-CZ 4.3Å; Y1098-F1127 HydrophobicContact CE2-CE2 4.47Å; Y1098-F1127 AromaticContact CG-CD2 3.91Å; Y1098-F1127 HydrophobicContact CG-CD2 3.91Å; Y1098-F1127 HydrophobicContact CG-CE2 4.03Å; Y1098-F1127 AromaticContact CZ-CE2 3.95Å; Y1098-I1295 HydrophobicContact CD2-CG2 4.42Å
1099T74.6Confident73Confident91 Ų9164.1 Ų64.156%0.55832%0.32SS*.  trans-113.2111.517357.20000108.9S1077 N1097S1077-T1099 PolarHBondContact OG-O 3.28Å; N1097-T1099 PolarHBondContact O-N 3.35Å
1100P75.9Confident73.1Confident30 Ų3060.9 Ų60.920%0.19530%0.304CS..  trans-57.1143.4177.3-13.121.6000110.5Y1098 P1124 F1125 S1126Y1098-P1100 HydrophobicContact CE1-CB 4.45Å; Y1098-P1100 HydrophobicContact CE1-CG 4.33Å; P1100-P1124 HydrophobicContact CB-CB 4.08Å; P1100-P1124 HydrophobicContact CB-CG 3.75Å; P1100-F1125 WeakPolarHBondContact CG-O 3.24Å; P1100-S1126 VanDerWaalsContact CG-CA 3.49Å
1101K73.6Confident73.1Confident112 Ų11262.1 Ų62.149%0.48732%0.318SS..  trans-124.9126.3171.4-69.7-174.2178.3-179.20108.8D1075 E1076 R1103D1075-K1101 PolarHBondContact OD1-N 3.38Å; D1075-K1101 VanDerWaalsContact OD1-O 3.09Å; E1076-K1101 PolarHBondContact N-O 2.89Å; K1101-R1103 PolarHBondContact O-N 3.3Å
1102R75.5Confident73.3Confident42 Ų4264.3 Ų64.316%0.15833%0.333CS..BIsolated β-bridgetrans-51.1140.8169.4-178.6-170.4-67.3148.33.4109.1V1104 W1106 D1107 L1121 P1122 E1123R1102-V1104 PolarHBondContact O-N 3.41Å; R1102-W1106 HydrophobicContact CG-CB 3.99Å; R1102-W1106 HydrophobicContact CG-CG 4.25Å; R1102-D1107 WeakPolarHBondContact CD-OD1 3.44Å; R1102-D1107 IonicContact NH1-OD1 3.75Å; R1102-D1107 PolarHBondContact NH1-OD1 3.31Å; R1102-D1107 VanDerWaalsContact NH1-OD1 3.16Å; R1102-L1121 VanDerWaalsContact CZ-CB 3.45Å; R1102-L1121 PolarHBondContact NH2-O 2.97Å; R1102-P1122 WeakPolarHBondContact CG-O 3.28Å; R1102-P1122 PolarHBondContact NE-O 3.45Å; R1102-P1122 VanDerWaalsContact NE-O 3.07Å; R1102-E1123 IonicContact CZ-OE1 3.16Å; R1102-E1123 IonicContact NH2-OE1 2.74Å; R1102-E1123 PolarHBondContact NH2-OE1 3.16Å
1103R72.2Confident73.4Confident70 Ų7063.2 Ų63.226%0.26433%0.332SS..  trans-60130.6171.4-84.9-145.2-167.2174.3-4.5112.4L1072 E1073 E1076 H1079 K1101 Y1105 W1106L1072-R1103 PolarHBondContact O-NH2 2.95Å; E1073-R1103 PolarHBondContact O-NE 3.39Å; E1076-R1103 HydrophobicContact CB-CG 4.17Å; E1076-R1103 WeakPolarHBondContact OE2-CA 3.42Å; H1079-R1103 PolarHBondContact CE1-NE 3.07Å; H1079-R1103 VanDerWaalsContact CE1-NE 3.28Å; H1079-R1103 PolarHBondContact CE1-NH2 2.87Å; H1079-R1103 PolarHBondContact NE2-NH2 3.1Å; K1101-R1103 PolarHBondContact O-N 3.3Å; R1103-Y1105 HydrophobicContact CB-CD1 3.43Å; R1103-Y1105 VanDerWaalsContact CB-CD1 3.43Å; R1103-Y1105 HydrophobicContact CB-CE1 3.62Å; R1103-Y1105 HydrophobicContact CG-CD1 4.07Å; R1103-Y1105 HydrophobicContact CG-CE1 4.11Å; R1103-Y1105 PolarHBondContact O-N 2.97Å; R1103-W1106 WeakPolarHBondContact O-CB 3.44Å; R1103-W1106 PolarHBondContact O-N 3.26Å
1104V69.9Low73.3Confident60 Ų6065.2 Ų65.236%0.36433%0.334SS..Hα-helixtrans-51.2-30.8175.2157.20000112.3E1076 R1102 W1106 D1107 H1108E1076-V1104 VanDerWaalsContact CD-CG2 3.49Å; E1076-V1104 VanDerWaalsContact OE1-CG2 3.29Å; E1076-V1104 WeakPolarHBondContact OE1-CG2 3.44Å; E1076-V1104 VanDerWaalsContact OE2-CB 3.28Å; E1076-V1104 WeakPolarHBondContact OE2-CB 3.45Å; E1076-V1104 WeakPolarHBondContact OE2-CG2 3.24Å; E1076-V1104 PolarHBondContact OE2-N 3.34Å; R1102-V1104 PolarHBondContact O-N 3.41Å; V1104-W1106 PolarHBondContact O-N 3.19Å; V1104-D1107 PolarHBondContact O-N 2.99Å; V1104-D1107 VanDerWaalsContact O-N 3.15Å; V1104-H1108 WeakPolarHBondContact CG1-CD2 3.39Å; V1104-H1108 WeakPolarHBondContact CG1-NE2 3.41Å; V1104-H1108 PolarHBondContact O-CD2 2.91Å; V1104-H1108 PolarHBondContact O-N 3.47Å
1105Y74.5Confident73.1Confident94 Ų9467.5 Ų67.537%0.36935%0.345SS..Hα-helixtrans-63.3-30176.789.7-96.3000112.7R1103 L1109R1103-Y1105 HydrophobicContact CB-CD1 3.43Å; R1103-Y1105 VanDerWaalsContact CB-CD1 3.43Å; R1103-Y1105 HydrophobicContact CB-CE1 3.62Å; R1103-Y1105 HydrophobicContact CG-CD1 4.07Å; R1103-Y1105 HydrophobicContact CG-CE1 4.11Å; R1103-Y1105 PolarHBondContact O-N 2.97Å; Y1105-L1109 HydrophobicContact CD2-CD1 3.36Å; Y1105-L1109 HydrophobicContact CD2-CG 4.38Å; Y1105-L1109 HydrophobicContact CE2-CD1 3.59Å; Y1105-L1109 WeakPolarHBondContact O-CB 3.46Å; Y1105-L1109 WeakPolarHBondContact O-CD1 3.48Å; Y1105-L1109 VanDerWaalsContact O-CG 3.29Å; Y1105-L1109 WeakPolarHBondContact O-CG 3.5Å; Y1105-L1109 PolarHBondContact O-N 3.11Å
1106W71.2Confident72.5Confident57 Ų5768.9 Ų68.922%0.21636%0.356CS..Hα-helixtrans-67.8-40.8173.8-74.4114.9000111.8R1102 R1103 V1104 H1108 L1109 F1110 M1115 L1121 P1122R1102-W1106 HydrophobicContact CG-CB 3.99Å; R1102-W1106 HydrophobicContact CG-CG 4.25Å; R1103-W1106 WeakPolarHBondContact O-CB 3.44Å; R1103-W1106 PolarHBondContact O-N 3.26Å; V1104-W1106 PolarHBondContact O-N 3.19Å; W1106-H1108 VanDerWaalsContact C-N 3.33Å; W1106-L1109 HydrophobicContact CE3-CD1 4.28Å; W1106-L1109 PolarHBondContact O-N 3.47Å; W1106-F1110 AromaticContact CE3-CD2 3.98Å; W1106-F1110 HydrophobicContact CE3-CD2 3.98Å; W1106-F1110 AromaticContact CE3-CE2 3.85Å; W1106-F1110 HydrophobicContact CE3-CE2 3.85Å; W1106-F1110 HydrophobicContact CZ3-CD2 4.42Å; W1106-F1110 AromaticContact CZ3-CE2 3.85Å; W1106-F1110 HydrophobicContact CZ3-CE2 3.85Å; W1106-F1110 PolarHBondContact O-N 3.47Å; W1106-M1115 HydrophobicContact CH2-CE 4.47Å; W1106-M1115 HydrophobicContact CZ3-CE 4.31Å; W1106-L1121 HydrophobicContact CE3-CD2 4.11Å; W1106-P1122 HydrophobicContact CH2-CG 4.23Å; W1106-P1122 HydrophobicContact CZ2-CG 3.93Å
1107D72.9Confident72.4Confident70 Ų7066.7 Ų66.737%0.37435%0.349SS..Hα-helixtrans-71.8-32.2178.5-61.3-30.8000111R1102 V1104 F1110 P1111R1102-D1107 WeakPolarHBondContact CD-OD1 3.44Å; R1102-D1107 IonicContact NH1-OD1 3.75Å; R1102-D1107 PolarHBondContact NH1-OD1 3.31Å; R1102-D1107 VanDerWaalsContact NH1-OD1 3.16Å; V1104-D1107 PolarHBondContact O-N 2.99Å; V1104-D1107 VanDerWaalsContact O-N 3.15Å; D1107-F1110 CarbonylContact O-C 3.31Å; D1107-P1111 WeakPolarHBondContact O-CA 3.29Å
1108H73.2Confident72.3Confident125 Ų12564.3 Ų64.358%0.57935%0.349SS*.Hα-helixtrans-65-49168.7-72.2-39.1000111.6L52 V1104 W1106 F1110L52-H1108 WeakPolarHBondContact CD1-O 3.29Å; V1104-H1108 WeakPolarHBondContact CG1-CD2 3.39Å; V1104-H1108 WeakPolarHBondContact CG1-NE2 3.41Å; V1104-H1108 PolarHBondContact O-CD2 2.91Å; V1104-H1108 PolarHBondContact O-N 3.47Å; W1106-H1108 VanDerWaalsContact C-N 3.33Å; H1108-F1110 VanDerWaalsContact C-N 3.32Å; H1108-F1110 PolarHBondContact O-N 2.95Å
1109L68.9Low71.7Confident22 Ų2266.6 Ų66.612%0.11537%0.365CS..Hα-helixtrans-61.3-39.3178.8-82.3162.3000112.4L52 Y1105 W1106L52-L1109 HydrophobicContact CD2-CB 4.44Å; L52-L1109 HydrophobicContact CD2-CD2 3.28Å; L52-L1109 HydrophobicContact CD2-CG 3.97Å; Y1105-L1109 HydrophobicContact CD2-CD1 3.36Å; Y1105-L1109 HydrophobicContact CD2-CG 4.38Å; Y1105-L1109 HydrophobicContact CE2-CD1 3.59Å; Y1105-L1109 WeakPolarHBondContact O-CB 3.46Å; Y1105-L1109 WeakPolarHBondContact O-CD1 3.48Å; Y1105-L1109 VanDerWaalsContact O-CG 3.29Å; Y1105-L1109 WeakPolarHBondContact O-CG 3.5Å; Y1105-L1109 PolarHBondContact O-N 3.11Å; W1106-L1109 HydrophobicContact CE3-CD1 4.28Å; W1106-L1109 PolarHBondContact O-N 3.47Å
1110F75.3Confident71.3Confident18 Ų1866.4 Ų66.48%0.07936%0.36CS..  trans-133.176.9-173.6-57.2-71.8000111Y22 W1106 D1107 H1108 S1112 G1113 P1116 L1121Y22-F1110 AromaticContact CD1-CE1 3.49Å; Y22-F1110 HydrophobicContact CD1-CE1 3.49Å; Y22-F1110 VanDerWaalsContact CD1-CE1 3.49Å; Y22-F1110 AromaticContact CD1-CZ 3.65Å; Y22-F1110 HydrophobicContact CD1-CZ 3.65Å; Y22-F1110 HydrophobicContact CE1-CD1 4.22Å; Y22-F1110 AromaticContact CE1-CE1 3.4Å; Y22-F1110 HydrophobicContact CE1-CE1 3.4Å; Y22-F1110 VanDerWaalsContact CE1-CE1 3.4Å; Y22-F1110 AromaticContact CE1-CZ 3.99Å; Y22-F1110 HydrophobicContact CE1-CZ 3.99Å; Y22-F1110 HydrophobicContact CG-CE1 4.17Å; Y22-F1110 HydrophobicContact CG-CZ 4.35Å; W1106-F1110 AromaticContact CE3-CD2 3.98Å; W1106-F1110 HydrophobicContact CE3-CD2 3.98Å; W1106-F1110 AromaticContact CE3-CE2 3.85Å; W1106-F1110 HydrophobicContact CE3-CE2 3.85Å; W1106-F1110 HydrophobicContact CZ3-CD2 4.42Å; W1106-F1110 AromaticContact CZ3-CE2 3.85Å; W1106-F1110 HydrophobicContact CZ3-CE2 3.85Å; W1106-F1110 PolarHBondContact O-N 3.47Å; D1107-F1110 CarbonylContact O-C 3.31Å; H1108-F1110 VanDerWaalsContact C-N 3.32Å; H1108-F1110 PolarHBondContact O-N 2.95Å; F1110-S1112 PolarHBondContact O-N 2.85Å; F1110-G1113 PolarHBondContact O-N 3.38Å; F1110-P1116 HydrophobicContact CD1-CG 4.41Å; F1110-P1116 VanDerWaalsContact CE1-CD 3.42Å; F1110-P1116 HydrophobicContact CE1-CG 3.64Å; F1110-P1116 HydrophobicContact CZ-CG 4.38Å; F1110-L1121 HydrophobicContact CB-CD1 3.81Å; F1110-L1121 HydrophobicContact CB-CD2 3.71Å; F1110-L1121 HydrophobicContact CB-CG 4.24Å; F1110-L1121 HydrophobicContact CD2-CD2 3.29Å; F1110-L1121 HydrophobicContact CE2-CD2 4.1Å; F1110-L1121 HydrophobicContact CG-CD2 3.69Å
1111P71.3Confident70.9Confident117 Ų11765.3 Ų65.376%0.7635%0.353SS*.THydrogen-bonded Turntrans-61.3-18.9-178.5-20.931.6000113.7D1107 G1113D1107-P1111 WeakPolarHBondContact O-CA 3.29Å; P1111-G1113 PolarHBondContact O-N 2.84Å
1112S75.9Confident70.6Confident82 Ų8262.2 Ų62.257%0.57334%0.344SS*.THydrogen-bonded Turntrans-68.3-17.5174.456.10000113.4F1110 Y1114F1110-S1112 PolarHBondContact O-N 2.85Å; S1112-Y1114 VanDerWaalsContact C-N 3.27Å; S1112-Y1114 VanDerWaalsContact O-CD2 3.23Å; S1112-Y1114 WeakPolarHBondContact O-CD2 3.36Å; S1112-Y1114 PolarHBondContact OG-N 3.35Å; S1112-Y1114 PolarHBondContact OG-O 3.15Å; S1112-Y1114 VanDerWaalsContact OG-O 3.13Å
1113G72.9Confident70.2Confident23 Ų2366.1 Ų66.124%0.23736%0.364CS..SBendtrans811.1-171.200000114.5F1110 P1111 L1121F1110-G1113 PolarHBondContact O-N 3.38Å; P1111-G1113 PolarHBondContact O-N 2.84Å; G1113-L1121 WeakPolarHBondContact O-CG 3.47Å
1114Y70.7Confident70.1Confident125 Ų12563.5 Ų63.549%0.4936%0.356SS..BIsolated β-bridgetrans-130142.3-177.7-60.3-87.1000111.3S1112 C1119 L1120S1112-Y1114 VanDerWaalsContact C-N 3.27Å; S1112-Y1114 VanDerWaalsContact O-CD2 3.23Å; S1112-Y1114 WeakPolarHBondContact O-CD2 3.36Å; S1112-Y1114 PolarHBondContact OG-N 3.35Å; S1112-Y1114 PolarHBondContact OG-O 3.15Å; S1112-Y1114 VanDerWaalsContact OG-O 3.13Å; Y1114-C1119 CarbonylContact C-O 3.6Å; Y1114-C1119 WeakPolarHBondContact CA-O 3.49Å; Y1114-L1120 HydrophobicContact CD1-CD2 3.82Å; Y1114-L1120 HydrophobicContact CD1-CG 4.21Å; Y1114-L1120 HydrophobicContact CE1-CD2 3.3Å; Y1114-L1120 HydrophobicContact CE1-CG 3.93Å
1115M69.1Low70.3Confident49 Ų4961.2 Ų61.224%0.24134%0.341CS..  trans-61.4160.2167-70-161.1-178.400111W1106 C1117 G1118 C1119 L1121 P1122W1106-M1115 HydrophobicContact CH2-CE 4.47Å; W1106-M1115 HydrophobicContact CZ3-CE 4.31Å; M1115-C1117 PolarHBondContact O-N 2.57Å; M1115-G1118 PolarHBondContact O-N 2.96Å; M1115-C1119 HydrophobicContact CB-CB 4.25Å; M1115-C1119 PolarHBondContact N-O 3.08Å; M1115-L1121 HydrophobicContact CG-CD2 3.8Å; M1115-P1122 VanDerWaalsContact CE-CD 3.5Å; M1115-P1122 HydrophobicContact CE-CG 3.54Å
1116P63.4Low70.1Confident51 Ų5158.1 Ų58.133%0.33133%0.334SS..THydrogen-bonded Turntrans-57.9-25.6-179.9-23.934.9000113.8Y22 F1110 G1118Y22-P1116 HydrophobicContact CD1-CG 4.44Å; Y22-P1116 HydrophobicContact CD2-CB 4.34Å; Y22-P1116 HydrophobicContact CD2-CG 3.53Å; Y22-P1116 HydrophobicContact CE2-CB 4.46Å; Y22-P1116 HydrophobicContact CE2-CG 3.75Å; Y22-P1116 HydrophobicContact CG-CG 3.89Å; F1110-P1116 HydrophobicContact CD1-CG 4.41Å; F1110-P1116 VanDerWaalsContact CE1-CD 3.42Å; F1110-P1116 HydrophobicContact CE1-CG 3.64Å; F1110-P1116 HydrophobicContact CZ-CG 4.38Å; P1116-G1118 PolarHBondContact O-N 3.31Å
1117C71.2Confident70.1Confident56 Ų5655.5 Ų55.538%0.37832%0.324SS..THydrogen-bonded Turntrans-72.9-1.5173.856.10000114.7M1115 C1119M1115-C1117 PolarHBondContact O-N 2.57Å; C1117-C1119 WeakPolarHBondContact CB-SG 3.24Å; C1117-C1119 PolarHBondContact O-N 2.85Å; C1117-C1119 WeakPolarHBondContact SG-CB 3.48Å; C1117-C1119 CovalentContact SG-SG 2.07Å; C1117-C1119 PolarHBondContact SG-SG 3.28Å
1118G68.9Low69.6Low54 Ų5456.4 Ų56.456%0.55733%0.329SS*.SBendtrans78.6-0.7-168.900000113.7M1115 P1116M1115-G1118 PolarHBondContact O-N 2.96Å; P1116-G1118 PolarHBondContact O-N 3.31Å
1119C63.8Low68.9Low50 Ų5054.3 Ų54.334%0.33832%0.322SS..PPolyproline II helixtrans-70145.3176.8-37.70000110.1Y1114 M1115 C1117Y1114-C1119 CarbonylContact C-O 3.6Å; Y1114-C1119 WeakPolarHBondContact CA-O 3.49Å; M1115-C1119 HydrophobicContact CB-CB 4.25Å; M1115-C1119 PolarHBondContact N-O 3.08Å; C1117-C1119 WeakPolarHBondContact CB-SG 3.24Å; C1117-C1119 PolarHBondContact O-N 2.85Å; C1117-C1119 WeakPolarHBondContact SG-CB 3.48Å; C1117-C1119 CovalentContact SG-SG 2.07Å; C1117-C1119 PolarHBondContact SG-SG 3.28Å
1120L66.2Low68.3Low88 Ų8854.9 Ų54.946%0.46132%0.324SS..BIsolated β-bridgetrans-61.7146.9171.4-74.4160.9000110.3Y1114Y1114-L1120 HydrophobicContact CD1-CD2 3.82Å; Y1114-L1120 HydrophobicContact CD1-CG 4.21Å; Y1114-L1120 HydrophobicContact CE1-CD2 3.3Å; Y1114-L1120 HydrophobicContact CE1-CG 3.93Å
1121L68.1Low66.9Low6 Ų660.9 Ų60.93%0.03135%0.35CS..PPolyproline II helixtrans-66.1149.8173.9-68.5167.4000110.8R1102 W1106 F1110 G1113 M1115 E1123R1102-L1121 VanDerWaalsContact CZ-CB 3.45Å; R1102-L1121 PolarHBondContact NH2-O 2.97Å; W1106-L1121 HydrophobicContact CE3-CD2 4.11Å; F1110-L1121 HydrophobicContact CB-CD1 3.81Å; F1110-L1121 HydrophobicContact CB-CD2 3.71Å; F1110-L1121 HydrophobicContact CB-CG 4.24Å; F1110-L1121 HydrophobicContact CD2-CD2 3.29Å; F1110-L1121 HydrophobicContact CE2-CD2 4.1Å; F1110-L1121 HydrophobicContact CG-CD2 3.69Å; G1113-L1121 WeakPolarHBondContact O-CG 3.47Å; M1115-L1121 HydrophobicContact CG-CD2 3.8Å; L1121-E1123 PolarHBondContact O-N 2.93Å
1122P66.7Low65.6Low48 Ų4862.3 Ų62.331%0.31235%0.347SS..PPolyproline II helixtrans-61.8131.5-178.8-12.228.6000109R1102 W1106 M1115R1102-P1122 WeakPolarHBondContact CG-O 3.28Å; R1102-P1122 PolarHBondContact NE-O 3.45Å; R1102-P1122 VanDerWaalsContact NE-O 3.07Å; W1106-P1122 HydrophobicContact CH2-CG 4.23Å; W1106-P1122 HydrophobicContact CZ2-CG 3.93Å; M1115-P1122 VanDerWaalsContact CE-CD 3.5Å; M1115-P1122 HydrophobicContact CE-CG 3.54Å
1123E67.7Low64.1Low124 Ų12460.8 Ų60.858%0.57934%0.336SS*.  trans-112.7129.1172.8-70.1-172.8175.200108.6R1102 L1121 F1125 C1188R1102-E1123 IonicContact CZ-OE1 3.16Å; R1102-E1123 IonicContact NH2-OE1 2.74Å; R1102-E1123 PolarHBondContact NH2-OE1 3.16Å; L1121-E1123 PolarHBondContact O-N 2.93Å; E1123-F1125 PolarHBondContact O-N 3.2Å; E1123-C1188 PolarHBondContact O-SG 3.23Å
1124P71.5Confident62.3Low15 Ų1565.3 Ų65.310%0.09735%0.351CS..PPolyproline II helixtrans-58.8131.6176.122.9-30.4000109.2D1075 P1100D1075-P1124 HydrophobicContact CB-CB 4.02Å; D1075-P1124 HydrophobicContact CB-CG 4.27Å; P1100-P1124 HydrophobicContact CB-CB 4.08Å; P1100-P1124 HydrophobicContact CB-CG 3.75Å
1125F72.4Confident60.7Low12 Ų1263.7 Ų63.75%0.05335%0.35CS..PPolyproline II helixtrans-61.2149.2-17876.6-92.9000111.1R1071 P1100 E1123 F1127 C1188 Q1192 W1195 Y1299R1071-F1125 PolarHBondContact NH1-O 3.2Å; R1071-F1125 PolarHBondContact NH2-O 3.49Å; P1100-F1125 WeakPolarHBondContact CG-O 3.24Å; E1123-F1125 PolarHBondContact O-N 3.2Å; F1125-F1127 AromaticContact CE2-CD1 3.83Å; F1125-F1127 HydrophobicContact CE2-CD1 3.83Å; F1125-F1127 HydrophobicContact CE2-CE1 4.1Å; F1125-F1127 HydrophobicContact CZ-CD1 4.32Å; F1125-F1127 HydrophobicContact CZ-CE1 4.13Å; F1125-C1188 HydrophobicContact CB-CB 4.13Å; F1125-Q1192 HydrophobicContact CB-CG 4.03Å; F1125-Q1192 HydrophobicContact CD1-CG 3.85Å; F1125-Q1192 HydrophobicContact CD2-CG 3.65Å; F1125-Q1192 HydrophobicContact CE1-CG 4.2Å; F1125-Q1192 HydrophobicContact CE2-CG 4.04Å; F1125-Q1192 HydrophobicContact CG-CG 3.55Å; F1125-Q1192 HydrophobicContact CZ-CG 4.3Å; F1125-W1195 AromaticContact CZ-CD1 3.79Å; F1125-Y1299 HydrophobicContact CE2-CE1 4.12Å; F1125-Y1299 HydrophobicContact CE2-CE2 4.43Å; F1125-Y1299 AromaticContact CE2-CZ 3.73Å; F1125-Y1299 WeakPolarHBondContact CE2-OH 3.04Å; F1125-Y1299 HydrophobicContact CZ-CE1 4.09Å
1126S71.9Confident59.1Low29 Ų2963.9 Ų63.920%0.20336%0.356CS..PPolyproline II helixtrans-85.5131.6177.11790000111.7P1100 N1128 N1129P1100-S1126 VanDerWaalsContact CG-CA 3.49Å; S1126-N1128 PolarHBondContact O-N 3.48Å; S1126-N1128 PolarHBondContact OG-N 3.08Å; S1126-N1129 PolarHBondContact O-N 2.94Å
1127F69.4Low57.5Low2 Ų266.8 Ų66.81%0.00937%0.373CS..G310 helixtrans-59.6-26.1173.3-62.5-42.7000112.5F1095 Y1098 F1125 N1129 I1295 L1296 Y1299F1095-F1127 HydrophobicContact CD2-CD2 4.15Å; F1095-F1127 HydrophobicContact CE2-CB 3.7Å; F1095-F1127 AromaticContact CE2-CD2 3.97Å; F1095-F1127 HydrophobicContact CE2-CD2 3.97Å; F1095-F1127 AromaticContact CE2-CG 3.91Å; F1095-F1127 HydrophobicContact CE2-CG 3.91Å; F1095-F1127 HydrophobicContact CZ-CB 4.2Å; Y1098-F1127 AromaticContact CD1-CD2 3.35Å; Y1098-F1127 HydrophobicContact CD1-CD2 3.35Å; Y1098-F1127 AromaticContact CD1-CE2 3.47Å; Y1098-F1127 HydrophobicContact CD1-CE2 3.47Å; Y1098-F1127 VanDerWaalsContact CD1-CE2 3.47Å; Y1098-F1127 HydrophobicContact CD1-CG 4.46Å; Y1098-F1127 AromaticContact CE1-CD2 3.79Å; Y1098-F1127 HydrophobicContact CE1-CD2 3.79Å; Y1098-F1127 AromaticContact CE1-CE2 3.42Å; Y1098-F1127 HydrophobicContact CE1-CE2 3.42Å; Y1098-F1127 VanDerWaalsContact CE1-CE2 3.42Å; Y1098-F1127 HydrophobicContact CE1-CZ 4.3Å; Y1098-F1127 HydrophobicContact CE2-CE2 4.47Å; Y1098-F1127 AromaticContact CG-CD2 3.91Å; Y1098-F1127 HydrophobicContact CG-CD2 3.91Å; Y1098-F1127 HydrophobicContact CG-CE2 4.03Å; Y1098-F1127 AromaticContact CZ-CE2 3.95Å; F1125-F1127 AromaticContact CE2-CD1 3.83Å; F1125-F1127 HydrophobicContact CE2-CD1 3.83Å; F1125-F1127 HydrophobicContact CE2-CE1 4.1Å; F1125-F1127 HydrophobicContact CZ-CD1 4.32Å; F1125-F1127 HydrophobicContact CZ-CE1 4.13Å; F1127-N1129 VanDerWaalsContact C-N 3.35Å; F1127-N1129 PolarHBondContact O-N 3.29Å; F1127-I1295 HydrophobicContact CE2-CG2 4.05Å; F1127-L1296 HydrophobicContact CZ-CD2 4.01Å; F1127-Y1299 HydrophobicContact CB-CD2 3.78Å; F1127-Y1299 HydrophobicContact CB-CE2 4.02Å; F1127-Y1299 AromaticContact CD1-CD1 3.86Å; F1127-Y1299 HydrophobicContact CD1-CD1 3.86Å; F1127-Y1299 AromaticContact CD1-CD2 3.36Å; F1127-Y1299 HydrophobicContact CD1-CD2 3.36Å; F1127-Y1299 HydrophobicContact CD1-CE1 4.02Å; F1127-Y1299 AromaticContact CD1-CE2 3.55Å; F1127-Y1299 HydrophobicContact CD1-CE2 3.55Å; F1127-Y1299 AromaticContact CD1-CG 3.52Å; F1127-Y1299 HydrophobicContact CD1-CG 3.52Å; F1127-Y1299 AromaticContact CD1-CZ 3.89Å; F1127-Y1299 AromaticContact CE1-CD1 3.84Å; F1127-Y1299 HydrophobicContact CE1-CD1 3.84Å; F1127-Y1299 HydrophobicContact CE1-CD2 4.15Å; F1127-Y1299 HydrophobicContact CE1-CE1 4.16Å; F1127-Y1299 HydrophobicContact CE1-CE2 4.46Å; F1127-Y1299 AromaticContact CE1-CG 3.83Å; F1127-Y1299 HydrophobicContact CE1-CG 3.83Å; F1127-Y1299 AromaticContact CG-CD2 3.79Å; F1127-Y1299 HydrophobicContact CG-CD2 3.79Å; F1127-Y1299 HydrophobicContact CG-CE2 4.19Å; F1127-Y1299 HydrophobicContact CG-CG 4.17Å
1128N63.3Low55.5Low89 Ų8968.8 Ų68.848%0.47639%0.388SS..G310 helixtrans-80.4-10.9-177.7-69-17.1000114.1S1126 I1130S1126-N1128 PolarHBondContact O-N 3.48Å; S1126-N1128 PolarHBondContact OG-N 3.08Å; N1128-I1130 PolarHBondContact O-N 3.38Å
1129N59.1Low53.7Low81 Ų8171.4 Ų71.443%0.43340%0.395SS..G310 helixtrans-92.921.7-170.5-79.3-0.8000115.1S1126 F1127 K1131 Q1132S1126-N1129 PolarHBondContact O-N 2.94Å; F1127-N1129 VanDerWaalsContact C-N 3.35Å; F1127-N1129 PolarHBondContact O-N 3.29Å; N1129-K1131 PolarHBondContact O-N 3.35Å; N1129-Q1132 PolarHBondContact O-N 3.13Å
1130I55.2Low52.1Low34 Ų3476.1 Ų76.117%0.17442%0.415CS..G310 helixtrans-52.5-33.6178.2-58.1170.8000111.4N1128 Q1132 S1133 Y1299 L1303 V1306N1128-I1130 PolarHBondContact O-N 3.38Å; I1130-Q1132 VanDerWaalsContact C-N 3.27Å; I1130-Q1132 PolarHBondContact O-N 3.12Å; I1130-Q1132 VanDerWaalsContact O-N 3.14Å; I1130-S1133 PolarHBondContact O-N 3.25Å; I1130-S1133 PolarHBondContact O-OG 3Å; I1130-Y1299 HydrophobicContact CD1-CE2 4.43Å; I1130-L1303 HydrophobicContact CD1-CD2 4.04Å; I1130-L1303 HydrophobicContact CG1-CD2 4.32Å; I1130-V1306 HydrophobicContact CG2-CG2 4.45Å
1131K47.4Very low50.4Low143 Ų14376.8 Ų76.862%0.62242%0.423SS*.G310 helixtrans-61.2-19-178.5-71.6-176.4175.2-171.90116.7N1129 E1309N1129-K1131 PolarHBondContact O-N 3.35Å; K1131-E1309 WeakPolarHBondContact CE-OE1 3.49Å; K1131-E1309 VanDerWaalsContact CG-OE2 3.32Å; K1131-E1309 WeakPolarHBondContact CG-OE2 3.47Å
1132Q43.6Very low48.6Very low148 Ų14883 Ų8369%0.69246%0.456SS*.G310 helixtrans-106.95.8-173-72.8-174.8-7.400114N1129 I1130 H1134N1129-Q1132 PolarHBondContact O-N 3.13Å; I1130-Q1132 VanDerWaalsContact C-N 3.27Å; I1130-Q1132 PolarHBondContact O-N 3.12Å; I1130-Q1132 VanDerWaalsContact O-N 3.14Å; Q1132-H1134 PolarHBondContact O-N 3.48Å; Q1132-H1134 VanDerWaalsContact O-N 3.09Å
1133S43.2Very low46.9Very low50 Ų5087 Ų8735%0.3547%0.473SS..  trans-75.49.3-178.271.30000114.4I1130 L1135I1130-S1133 PolarHBondContact O-N 3.25Å; I1130-S1133 PolarHBondContact O-OG 3Å; S1133-L1135 PolarHBondContact O-N 2.86Å
1134H36.1Very low45.2Very low118 Ų11888.5 Ų88.555%0.54649%0.485SS..  trans-71.452.4164.2-48.1-67.2000111.2Q1132 E1309Q1132-H1134 PolarHBondContact O-N 3.48Å; Q1132-H1134 VanDerWaalsContact O-N 3.09Å; H1134-E1309 PolarHBondContact CE1-O 2.8Å; H1134-E1309 VanDerWaalsContact CE1-O 3.3Å
1135L36.4Very low43Very low90 Ų9098.4 Ų98.447%0.47152%0.521SS..THydrogen-bonded Turntrans-94.789.7150.6-81.1106.6000103.7S1133 K1187S1133-L1135 PolarHBondContact O-N 2.86Å; L1135-K1187 HydrophobicContact CD1-CD 4.01Å; L1135-K1187 HydrophobicContact CD2-CD 3.91Å
1136C36.1Very low40.9Very low54 Ų54105.2 Ų105.237%0.36556%0.558SS.*THydrogen-bonded Turn-163.345.388.3-79.20000111.8L1174C1136-L1174 HydrophobicContact CB-CD1 3.8Å; C1136-L1174 HydrophobicContact CB-CG 4.13Å
1137T30Very low38.9Very low112 Ų112110 Ų11069%0.68758%0.581SS**  trans-128.699162.245.40000108.3
1138S28.6Very low37.1Very low98 Ų98118.1 Ų118.169%0.68563%0.625SS**  trans-54.5137.7164.948.20000108I1140S1138-I1140 PolarHBondContact O-N 3.04Å
1139P31Very low35.4Very low109 Ų109120.5 Ų120.571%0.70864%0.637SS**  trans-63112.317826.2-29.8000105.4T1141P1139-T1141 PolarHBondContact O-N 3.04Å
1140I30.9Very low34Very low148 Ų148123.2 Ų123.276%0.75965%0.652SS**  trans-61.388.8166.3-62169.3000104.2S1138 D1142S1138-I1140 PolarHBondContact O-N 3.04Å; I1140-D1142 VanDerWaalsContact C-N 3.27Å; I1140-D1142 PolarHBondContact O-N 3.26Å
1141T29.5Very low32.7Very low102 Ų102129 Ų12963%0.62668%0.683SS**  trans-61103.1162.440.60000104.1P1139 I1143P1139-T1141 PolarHBondContact O-N 3.04Å; T1141-I1143 PolarHBondContact O-N 3.16Å
1142D29.9Very low31.7Very low136 Ų136125.4 Ų125.473%0.72769%0.687SS**  trans-58.266.8166.3-86-30.5000109.3I1140 N1144I1140-D1142 VanDerWaalsContact C-N 3.27Å; I1140-D1142 PolarHBondContact O-N 3.26Å; D1142-N1144 PolarHBondContact O-N 2.99Å; D1142-N1144 VanDerWaalsContact O-N 3.1Å
1143I32.1Very low30.9Very low132 Ų132125.6 Ų125.668%0.67769%0.693SS**THydrogen-bonded Turntrans-80.784.7163-58.1174.6000104.2T1141T1141-I1143 PolarHBondContact O-N 3.16Å
1144N31.1Very low30.3Very low156 Ų156128.9 Ų128.983%0.83471%0.711SS**THydrogen-bonded Turntrans163.452.7146.3-78.6-26.5000110.3D1142D1142-N1144 PolarHBondContact O-N 2.99Å; D1142-N1144 VanDerWaalsContact O-N 3.1Å
1145R25.8Very low30.1Very low223 Ų223131.6 Ų131.684%0.84273%0.729SS**  trans-125.646.1164.1-142.6175.6178.3175.7-1.5111.3N1147R1145-N1147 PolarHBondContact O-N 2.9Å
1146D28.8Very low29.8Very low155 Ų155134.8 Ų134.883%0.82975%0.745SS**  trans-74.9103.2160.1-82.5-27.5000108.9
1147N29.9Very low29.6Very low130 Ų130137.1 Ų137.170%0.69576%0.762SS**  trans4099.2140.4-71.9-27.7000117.2R1145R1145-N1147 PolarHBondContact O-N 2.9Å
1148N30.9Very low29.7Very low173 Ų173137.6 Ų137.693%0.92577%0.765SS**  -146120.4128.3-94.3-34.3000110.7
1149N28.9Very low30.2Very low138 Ų138139.1 Ų139.174%0.73877%0.765SS**  trans-64.1155.5177.5-80-37.1000112.4
1150N29.1Very low30.7Very low138 Ų138138.8 Ų138.874%0.73877%0.765SS**  trans92.7124.6150.3-61.1-23.2000119.6
1151N28.2Very low31.1Very low156 Ų156135.3 Ų135.383%0.83475%0.754SS**  trans85.5111.4147.7-59.8-13.5000118.8
1152G26.4Very low31.8Very low67 Ų67133.7 Ų133.769%0.69175%0.745SS**  84.8119.2115.300000117.7
1153D26.9Very low32.5Very low153 Ų153136.5 Ų136.582%0.81875%0.745SS**  trans77.9106143.8-58.7-21000119.7
1154T30Very low33Very low119 Ų119136.6 Ų136.673%0.7374%0.742SS**  trans33.6110.1133.249.60000117.5
1155N31.5Very low33.7Very low175 Ų175135 Ų13594%0.93673%0.73SS**  trans-153.8124132.6-93-33.7000112
1156I30.4Very low34.8Very low157 Ų157129.9 Ų129.981%0.80572%0.719SS**  trans-82.1151.3179.1-74164.3000109.4
1157S31.9Very low35.8Very low102 Ų102129.6 Ų129.671%0.71371%0.71SS**  trans77.588.1157.466.40000120.1
1158T32.2Very low36.7Very low123 Ų123128 Ų12876%0.75570%0.7SS**  trans-157.214.7137.137.80000114.3S1160T1158-S1160 PolarHBondContact O-N 2.99Å
1159N38.9Very low37.6Very low130 Ų130123 Ų12370%0.69568%0.676SS**Hα-helixtrans-87.92.4-171.2-76.8-6.9000116.7
1160S41.4Very low38.6Very low101 Ų101119.2 Ų119.271%0.70666%0.66SS**Hα-helixtrans-79.3-34.5-179.756.40000113.2T1158 H1164T1158-S1160 PolarHBondContact O-N 2.99Å; S1160-H1164 PolarHBondContact O-N 3.05Å
1161S40.3Very low39.6Very low75 Ų75118.9 Ų118.952%0.52465%0.652SS.*Hα-helixtrans-68.4-47.1-179.5171.10000112.2R1163 H1164 Q1165S1161-R1163 VanDerWaalsContact C-N 3.35Å; S1161-R1163 PolarHBondContact O-N 2.91Å; S1161-H1164 PolarHBondContact O-N 3.32Å; S1161-Q1165 PolarHBondContact O-N 2.94Å
1162T42.9Very low40.6Very low69 Ų69117.9 Ų117.942%0.42364%0.641SS.*Hα-helixtrans-66-35179.533.90000112.6Q1165 L1166T1162-Q1165 PolarHBondContact O-N 3.03Å; T1162-L1166 VanDerWaalsContact O-CB 3.31Å; T1162-L1166 WeakPolarHBondContact O-CB 3.24Å; T1162-L1166 WeakPolarHBondContact O-CD1 3.28Å; T1162-L1166 VanDerWaalsContact O-CG 3.28Å; T1162-L1166 WeakPolarHBondContact O-CG 3.35Å; T1162-L1166 PolarHBondContact O-N 3.32Å
1163R44.1Very low41.7Very low195 Ų195120.2 Ų120.274%0.73663%0.634SS**Hα-helixtrans-70.2-32.9178-145.9176.8-1601725112.6S1161 K1167S1161-R1163 VanDerWaalsContact C-N 3.35Å; S1161-R1163 PolarHBondContact O-N 2.91Å; R1163-K1167 PolarHBondContact O-N 3.42Å; R1163-K1167 VanDerWaalsContact O-N 3.15Å
1164H43.6Very low42.6Very low133 Ų133116.2 Ų116.262%0.61661%0.612SS**Hα-helixtrans-74.1-41.1174.9-119.3-46.5000111.8S1160 S1161 K1167 I1168S1160-H1164 PolarHBondContact O-N 3.05Å; S1161-H1164 PolarHBondContact O-N 3.32Å; H1164-K1167 PolarHBondContact O-N 3.15Å; H1164-I1168 WeakPolarHBondContact O-CG1 3.29Å; H1164-I1168 PolarHBondContact O-N 3.24Å; H1164-I1168 VanDerWaalsContact O-N 3.1Å
1165Q46.6Very low43.4Very low124 Ų124115 Ų11558%0.57960%0.598SS**Hα-helixtrans-60.9-48.8171.9-84.8-179-2200111.2S1161 T1162 K1167 I1168 T1169S1161-Q1165 PolarHBondContact O-N 2.94Å; T1162-Q1165 PolarHBondContact O-N 3.03Å; Q1165-K1167 VanDerWaalsContact C-N 3.26Å; Q1165-K1167 PolarHBondContact O-N 3.34Å; Q1165-I1168 CarbonylContact O-C 3.55Å; Q1165-I1168 WeakPolarHBondContact O-CA 3.45Å; Q1165-I1168 WeakPolarHBondContact O-CB 3.45Å; Q1165-I1168 PolarHBondContact O-N 3Å; Q1165-T1169 PolarHBondContact O-N 2.93Å; Q1165-T1169 PolarHBondContact O-OG1 2.8Å
1166L49.1Very low44.4Very low115 Ų115114 Ų11460%0.60259%0.588SS**Hα-helixtrans-57.7-35177.1-78.7163.2000113.3T1162 S1170T1162-L1166 VanDerWaalsContact O-CB 3.31Å; T1162-L1166 WeakPolarHBondContact O-CB 3.24Å; T1162-L1166 WeakPolarHBondContact O-CD1 3.28Å; T1162-L1166 VanDerWaalsContact O-CG 3.28Å; T1162-L1166 WeakPolarHBondContact O-CG 3.35Å; T1162-L1166 PolarHBondContact O-N 3.32Å; L1166-S1170 VanDerWaalsContact O-CB 3.28Å; L1166-S1170 WeakPolarHBondContact O-CB 3.12Å; L1166-S1170 PolarHBondContact O-N 3.24Å; L1166-S1170 PolarHBondContact O-OG 3.37Å
1167K49.1Very low45Very low149 Ų149111.3 Ų111.365%0.64857%0.572SS**Hα-helixtrans-68.5-35.1172.1-88.3-173.1173.4-173.80113R1163 H1164 Q1165 S1170 K1171R1163-K1167 PolarHBondContact O-N 3.42Å; R1163-K1167 VanDerWaalsContact O-N 3.15Å; H1164-K1167 PolarHBondContact O-N 3.15Å; Q1165-K1167 VanDerWaalsContact C-N 3.26Å; Q1165-K1167 PolarHBondContact O-N 3.34Å; K1167-S1170 WeakPolarHBondContact CA-OG 3.43Å; K1167-S1170 PolarHBondContact O-OG 2.82Å; K1167-K1171 VanDerWaalsContact O-CB 3.32Å; K1167-K1171 WeakPolarHBondContact O-CB 3.47Å; K1167-K1171 PolarHBondContact O-N 2.94Å; K1167-K1171 VanDerWaalsContact O-N 3.11Å
1168I48.8Very low45.5Very low96 Ų96110.8 Ų110.849%0.49256%0.56SS.*Hα-helixtrans-74.3-42.6176.9-65.2165.8000110.1H1164 Q1165 K1171 F1172H1164-I1168 WeakPolarHBondContact O-CG1 3.29Å; H1164-I1168 PolarHBondContact O-N 3.24Å; H1164-I1168 VanDerWaalsContact O-N 3.1Å; Q1165-I1168 CarbonylContact O-C 3.55Å; Q1165-I1168 WeakPolarHBondContact O-CA 3.45Å; Q1165-I1168 WeakPolarHBondContact O-CB 3.45Å; Q1165-I1168 PolarHBondContact O-N 3Å; I1168-K1171 PolarHBondContact O-N 2.84Å; I1168-F1172 HydrophobicContact CG2-CD2 4.09Å; I1168-F1172 PolarHBondContact O-N 2.98Å
1169T49.6Very low45.9Very low67 Ų67107 Ų10741%0.41155%0.545SS..Hα-helixtrans-66.2-45.1176.52.40000111.6Q1165 K1171 F1172 E1173Q1165-T1169 PolarHBondContact O-N 2.93Å; Q1165-T1169 PolarHBondContact O-OG1 2.8Å; T1169-K1171 VanDerWaalsContact C-N 3.27Å; T1169-K1171 PolarHBondContact O-N 3.35Å; T1169-F1172 PolarHBondContact O-N 2.92Å; T1169-F1172 VanDerWaalsContact O-N 3.12Å; T1169-E1173 WeakPolarHBondContact O-CB 3.47Å; T1169-E1173 WeakPolarHBondContact O-CG 3.45Å; T1169-E1173 PolarHBondContact O-N 3.16Å
1170S49.4Very low46.3Very low59 Ų59105 Ų10541%0.41354%0.535SS..Hα-helixtrans-61.4-36174.5510000112.1L1166 K1167 L1174L1166-S1170 VanDerWaalsContact O-CB 3.28Å; L1166-S1170 WeakPolarHBondContact O-CB 3.12Å; L1166-S1170 PolarHBondContact O-N 3.24Å; L1166-S1170 PolarHBondContact O-OG 3.37Å; K1167-S1170 WeakPolarHBondContact CA-OG 3.43Å; K1167-S1170 PolarHBondContact O-OG 2.82Å; S1170-L1174 WeakPolarHBondContact O-CB 3.48Å; S1170-L1174 PolarHBondContact O-N 3.39Å
1171K49.6Very low46.4Very low131 Ų131108.5 Ų108.557%0.5753%0.533SS*.Hα-helixtrans-66.5-42172.9-166.6-175.4179.7-157.30112.2K1167 I1168 T1169 L1174 E1175K1167-K1171 VanDerWaalsContact O-CB 3.32Å; K1167-K1171 WeakPolarHBondContact O-CB 3.47Å; K1167-K1171 PolarHBondContact O-N 2.94Å; K1167-K1171 VanDerWaalsContact O-N 3.11Å; I1168-K1171 PolarHBondContact O-N 2.84Å; T1169-K1171 VanDerWaalsContact C-N 3.27Å; T1169-K1171 PolarHBondContact O-N 3.35Å; K1171-L1174 PolarHBondContact O-N 3.11Å; K1171-E1175 VanDerWaalsContact CE-OE1 3.24Å; K1171-E1175 WeakPolarHBondContact CE-OE1 3.37Å; K1171-E1175 IonicContact NZ-OE1 3.59Å; K1171-E1175 WeakPolarHBondContact O-CB 3.41Å; K1171-E1175 WeakPolarHBondContact O-CG 3.47Å; K1171-E1175 PolarHBondContact O-N 3.19Å
1172F50.5Low46.7Very low136 Ų136107.3 Ų107.360%0.59653%0.529SS*.Hα-helixtrans-66.4-42.9177-107.6-78.7000112.5I1168 T1169 L1174 E1175 E1176I1168-F1172 HydrophobicContact CG2-CD2 4.09Å; I1168-F1172 PolarHBondContact O-N 2.98Å; T1169-F1172 PolarHBondContact O-N 2.92Å; T1169-F1172 VanDerWaalsContact O-N 3.12Å; F1172-L1174 VanDerWaalsContact C-N 3.3Å; F1172-L1174 PolarHBondContact O-N 2.92Å; F1172-E1175 PolarHBondContact O-N 3.35Å; F1172-E1176 PolarHBondContact O-N 3.49Å
1173E49.4Very low46.7Very low116 Ų116107.2 Ų107.254%0.54253%0.525SS..Hα-helixtrans-64.2-37.8175.7-73.4171.9179.200110.8T1169 E1176 E1177T1169-E1173 WeakPolarHBondContact O-CB 3.47Å; T1169-E1173 WeakPolarHBondContact O-CG 3.45Å; T1169-E1173 PolarHBondContact O-N 3.16Å; E1173-E1176 PolarHBondContact O-N 2.72Å; E1173-E1177 WeakPolarHBondContact O-CB 3.49Å; E1173-E1177 PolarHBondContact O-N 3.17Å
1174L46.4Very low46.5Very low69 Ų69101.4 Ų101.436%0.36150%0.504SS..Hα-helixtrans-71.6-35.5175.5-157.9149.7000111.5C1136 S1170 K1171 F1172 E1177 I1178C1136-L1174 HydrophobicContact CB-CD1 3.8Å; C1136-L1174 HydrophobicContact CB-CG 4.13Å; S1170-L1174 WeakPolarHBondContact O-CB 3.48Å; S1170-L1174 PolarHBondContact O-N 3.39Å; K1171-L1174 PolarHBondContact O-N 3.11Å; F1172-L1174 VanDerWaalsContact C-N 3.3Å; F1172-L1174 PolarHBondContact O-N 2.92Å; L1174-E1177 PolarHBondContact O-N 3.08Å; L1174-I1178 HydrophobicContact CD2-CD1 3.44Å; L1174-I1178 VanDerWaalsContact CD2-CD1 3.44Å; L1174-I1178 HydrophobicContact CD2-CG1 4.09Å; L1174-I1178 WeakPolarHBondContact O-CB 3.3Å; L1174-I1178 WeakPolarHBondContact O-CG1 3.41Å; L1174-I1178 PolarHBondContact O-N 3.29Å
1175E46.7Very low46.6Very low94 Ų94102.2 Ų102.244%0.43950%0.503SS..Hα-helixtrans-66.7-34.8169.5-77.4175.8-168.500112K1171 F1172 G1179K1171-E1175 VanDerWaalsContact CE-OE1 3.24Å; K1171-E1175 WeakPolarHBondContact CE-OE1 3.37Å; K1171-E1175 IonicContact NZ-OE1 3.59Å; K1171-E1175 WeakPolarHBondContact O-CB 3.41Å; K1171-E1175 WeakPolarHBondContact O-CG 3.47Å; K1171-E1175 PolarHBondContact O-N 3.19Å; F1172-E1175 PolarHBondContact O-N 3.35Å; E1175-G1179 WeakPolarHBondContact O-CA 3.29Å; E1175-G1179 PolarHBondContact O-N 3.12Å
1176E52.1Low46.7Very low153 Ų153101 Ų10172%0.71550%0.497SS*.Hα-helixtrans-70.7-38.3172.8-115.2-178168.100112.2F1172 E1173 G1179 N1180F1172-E1176 PolarHBondContact O-N 3.49Å; E1173-E1176 PolarHBondContact O-N 2.72Å; E1176-G1179 CarbonylContact O-C 3.58Å; E1176-G1179 PolarHBondContact O-N 3.44Å; E1176-N1180 PolarHBondContact O-N 3.44Å; E1176-N1180 VanDerWaalsContact O-N 3.1Å
1177E41.8Very low46.7Very low101 Ų101101.2 Ų101.247%0.47249%0.493SS..Hα-helixtrans-72.3-41.1176.2-81.1-167.715700112.7E1173 L1174 G1179 N1180E1173-E1177 WeakPolarHBondContact O-CB 3.49Å; E1173-E1177 PolarHBondContact O-N 3.17Å; L1174-E1177 PolarHBondContact O-N 3.08Å; E1177-G1179 VanDerWaalsContact C-N 3.28Å; E1177-N1180 WeakPolarHBondContact O-CB 3.41Å; E1177-N1180 PolarHBondContact O-N 3.3Å; E1177-N1180 VanDerWaalsContact O-N 3.13Å
1178I42.7Very low46.8Very low91 Ų9195 Ų9547%0.46747%0.468SS..Hα-helixtrans-63.8-38.5169.3-68.6173.9000109.8L1174 N1180L1174-I1178 HydrophobicContact CD2-CD1 3.44Å; L1174-I1178 VanDerWaalsContact CD2-CD1 3.44Å; L1174-I1178 HydrophobicContact CD2-CG1 4.09Å; L1174-I1178 WeakPolarHBondContact O-CB 3.3Å; L1174-I1178 WeakPolarHBondContact O-CG1 3.41Å; L1174-I1178 PolarHBondContact O-N 3.29Å; I1178-N1180 PolarHBondContact O-N 3.42Å
1179G42Very low47.1Very low43 Ų4391.2 Ų91.244%0.44345%0.453SS..Hα-helixtrans-61.9-18.8174.100000113.5E1175 E1176 E1177 Y1181E1175-G1179 WeakPolarHBondContact O-CA 3.29Å; E1175-G1179 PolarHBondContact O-N 3.12Å; E1176-G1179 CarbonylContact O-C 3.58Å; E1176-G1179 PolarHBondContact O-N 3.44Å; E1177-G1179 VanDerWaalsContact C-N 3.28Å; G1179-Y1181 VanDerWaalsContact C-N 3.3Å; G1179-Y1181 WeakPolarHBondContact O-CD2 3.22Å; G1179-Y1181 PolarHBondContact O-N 2.9Å
1180N45.5Very low47.6Very low88 Ų8890 Ų9047%0.47145%0.447SS..  trans-80.581.2173.5-159.2-7.6000110.5E1176 E1177 I1178 A1182 N1183 Y1184E1176-N1180 PolarHBondContact O-N 3.44Å; E1176-N1180 VanDerWaalsContact O-N 3.1Å; E1177-N1180 WeakPolarHBondContact O-CB 3.41Å; E1177-N1180 PolarHBondContact O-N 3.3Å; E1177-N1180 VanDerWaalsContact O-N 3.13Å; I1178-N1180 PolarHBondContact O-N 3.42Å; N1180-A1182 PolarHBondContact O-N 3.2Å; N1180-N1183 PolarHBondContact O-N 3.29Å; N1180-Y1184 PolarHBondContact O-N 2.97Å
1181Y45.4Very low48.4Very low174 Ų17487.5 Ų87.568%0.68243%0.429SS*.Hα-helixtrans-41.4-31.2176.3-75.1-89.2000114.3G1179 Y1185G1179-Y1181 VanDerWaalsContact C-N 3.3Å; G1179-Y1181 WeakPolarHBondContact O-CD2 3.22Å; G1179-Y1181 PolarHBondContact O-N 2.9Å; Y1181-Y1185 HydrophobicContact CD1-CD2 4.49Å; Y1181-Y1185 HydrophobicContact CD1-CE2 4.01Å; Y1181-Y1185 WeakPolarHBondContact O-CD2 3.49Å; Y1181-Y1185 PolarHBondContact O-N 3.38Å
1182A45.4Very low49.2Very low51 Ų5183 Ų8342%0.42141%0.41SS..Hα-helixtrans-64.5-47.6177.300000112.1N1180 Q1186N1180-A1182 PolarHBondContact O-N 3.2Å; A1182-Q1186 WeakPolarHBondContact O-CB 3.3Å; A1182-Q1186 PolarHBondContact O-N 3.35Å
1183N42.3Very low50.1Low66 Ų6680.6 Ų80.635%0.35340%0.401SS..Hα-helixtrans-69-41.1-178.8-104.4-7.5000112.2N1180 Y1185 K1187N1180-N1183 PolarHBondContact O-N 3.29Å; N1183-Y1185 PolarHBondContact O-N 3.41Å; N1183-K1187 PolarHBondContact O-N 3.02Å
1184Y40.8Very low51.4Low73 Ų7376.2 Ų76.229%0.28638%0.382SS..Hα-helixtrans-60.2-45.5-178.5-171.7-101.5000112.5N1180 G1189 C1190 E1193N1180-Y1184 PolarHBondContact O-N 2.97Å; Y1184-G1189 PolarHBondContact O-N 3.05Å; Y1184-C1190 HydrophobicContact CE1-CB 4.08Å; Y1184-E1193 VanDerWaalsContact CE2-OE2 3.31Å; Y1184-E1193 WeakPolarHBondContact CE2-OE2 3.34Å; Y1184-E1193 PolarHBondContact OH-OE2 3.27Å
1185Y45.3Very low53Low150 Ų15073.2 Ų73.259%0.58837%0.366SS*.Hα-helixtrans-85.3-33.8180-76.3-82.2000113.7Y1181 N1183 K1187 C1188Y1181-Y1185 HydrophobicContact CD1-CD2 4.49Å; Y1181-Y1185 HydrophobicContact CD1-CE2 4.01Å; Y1181-Y1185 WeakPolarHBondContact O-CD2 3.49Å; Y1181-Y1185 PolarHBondContact O-N 3.38Å; N1183-Y1185 PolarHBondContact O-N 3.41Å; Y1185-K1187 VanDerWaalsContact C-N 3.29Å; Y1185-K1187 PolarHBondContact O-N 2.95Å; Y1185-C1188 PolarHBondContact O-N 3.23Å
1186Q48.9Very low54.4Low99 Ų9970.4 Ų70.446%0.46335%0.352SS..Hα-helixtrans-75.4-16.9-171.8-162.5172.416.200113.2A1182A1182-Q1186 WeakPolarHBondContact O-CB 3.3Å; A1182-Q1186 PolarHBondContact O-N 3.35Å
1187K49Very low55.6Low119 Ų11968.1 Ų68.152%0.51734%0.341SS..THydrogen-bonded Turntrans-106.311177.1-69.2-167.8175-173.90114.9L1135 N1183 Y1185 G1189L1135-K1187 HydrophobicContact CD1-CD 4.01Å; L1135-K1187 HydrophobicContact CD2-CD 3.91Å; N1183-K1187 PolarHBondContact O-N 3.02Å; Y1185-K1187 VanDerWaalsContact C-N 3.29Å; Y1185-K1187 PolarHBondContact O-N 2.95Å; K1187-G1189 PolarHBondContact O-N 3.02Å
1188C50.4Low57.6Low19 Ų1963.4 Ų63.413%0.12832%0.32CS..THydrogen-bonded Turntrans5531.6-175.2-690000113.9E1123 F1125 Y1185 C1190 S1191 Q1192E1123-C1188 PolarHBondContact O-SG 3.23Å; F1125-C1188 HydrophobicContact CB-CB 4.13Å; Y1185-C1188 PolarHBondContact O-N 3.23Å; C1188-C1190 VanDerWaalsContact C-N 3.27Å; C1188-C1190 PolarHBondContact O-N 3.31Å; C1188-S1191 PolarHBondContact O-N 3.42Å; C1188-Q1192 PolarHBondContact O-N 3.24Å
1189G56.1Low59.5Low17 Ų1759 Ų5918%0.17530%0.297CS..Hα-helixtrans-56.7-41.3-179.400000112Y1184 K1187 S1191 Q1192 E1193Y1184-G1189 PolarHBondContact O-N 3.05Å; K1187-G1189 PolarHBondContact O-N 3.02Å; G1189-S1191 PolarHBondContact O-N 2.96Å; G1189-Q1192 PolarHBondContact O-N 3.4Å; G1189-E1193 VanDerWaalsContact O-CB 3.29Å; G1189-E1193 WeakPolarHBondContact O-CB 3.34Å; G1189-E1193 VanDerWaalsContact O-CG 3.24Å; G1189-E1193 WeakPolarHBondContact O-CG 3.27Å; G1189-E1193 PolarHBondContact O-N 2.97Å
1190C59.8Low61.3Low41 Ų4158.7 Ų58.728%0.27728%0.283SS..Hα-helixtrans-59.3-47.4180600000113.4Y1184 C1188 Q1192 E1193 V1194Y1184-C1190 HydrophobicContact CE1-CB 4.08Å; C1188-C1190 VanDerWaalsContact C-N 3.27Å; C1188-C1190 PolarHBondContact O-N 3.31Å; C1190-Q1192 VanDerWaalsContact C-N 3.35Å; C1190-Q1192 PolarHBondContact O-N 2.94Å; C1190-E1193 PolarHBondContact O-N 3.16Å; C1190-V1194 VanDerWaalsContact O-CG2 3.32Å; C1190-V1194 WeakPolarHBondContact O-CG2 3.27Å; C1190-V1194 PolarHBondContact O-N 3.46Å
1191S65.5Low62.9Low6 Ų658.7 Ų58.74%0.04228%0.283CS..Hα-helixtrans-67.4-37.9-178.7-48.70000111.2E1074 C1188 G1189 W1195E1074-S1191 PolarHBondContact OE1-OG 2.93Å; C1188-S1191 PolarHBondContact O-N 3.42Å; G1189-S1191 PolarHBondContact O-N 2.96Å; S1191-W1195 VanDerWaalsContact O-CD1 3.23Å; S1191-W1195 PolarHBondContact O-N 3.5Å
1192Q68Low64.6Low37 Ų3750.5 Ų50.517%0.17325%0.251CS..Hα-helixtrans-67-44.6174.1-72.4-174.1-25.400111.9F1125 C1188 G1189 C1190 V1194 W1195 F1196F1125-Q1192 HydrophobicContact CB-CG 4.03Å; F1125-Q1192 HydrophobicContact CD1-CG 3.85Å; F1125-Q1192 HydrophobicContact CD2-CG 3.65Å; F1125-Q1192 HydrophobicContact CE1-CG 4.2Å; F1125-Q1192 HydrophobicContact CE2-CG 4.04Å; F1125-Q1192 HydrophobicContact CG-CG 3.55Å; F1125-Q1192 HydrophobicContact CZ-CG 4.3Å; C1188-Q1192 PolarHBondContact O-N 3.24Å; G1189-Q1192 PolarHBondContact O-N 3.4Å; C1190-Q1192 VanDerWaalsContact C-N 3.35Å; C1190-Q1192 PolarHBondContact O-N 2.94Å; Q1192-V1194 VanDerWaalsContact C-N 3.31Å; Q1192-V1194 PolarHBondContact O-N 3.18Å; Q1192-W1195 WeakPolarHBondContact O-CB 3.3Å; Q1192-W1195 PolarHBondContact O-N 3.06Å; Q1192-W1195 VanDerWaalsContact O-N 3.11Å; Q1192-F1196 HydrophobicContact CB-CD2 4.46Å; Q1192-F1196 HydrophobicContact CB-CE2 4.3Å; Q1192-F1196 WeakPolarHBondContact O-CD2 3.41Å; Q1192-F1196 PolarHBondContact O-N 3.42Å
1193E68.7Low66.3Low85 Ų8548.2 Ų48.240%0.39723%0.232SC..Hα-helixtrans-55.1-43.5176.5-81.1170.8-17700111.6Y1184 G1189 C1190 W1195 F1196 E1197Y1184-E1193 VanDerWaalsContact CE2-OE2 3.31Å; Y1184-E1193 WeakPolarHBondContact CE2-OE2 3.34Å; Y1184-E1193 PolarHBondContact OH-OE2 3.27Å; G1189-E1193 VanDerWaalsContact O-CB 3.29Å; G1189-E1193 WeakPolarHBondContact O-CB 3.34Å; G1189-E1193 VanDerWaalsContact O-CG 3.24Å; G1189-E1193 WeakPolarHBondContact O-CG 3.27Å; G1189-E1193 PolarHBondContact O-N 2.97Å; C1190-E1193 PolarHBondContact O-N 3.16Å; E1193-W1195 VanDerWaalsContact C-N 3.32Å; E1193-W1195 PolarHBondContact O-N 3.08Å; E1193-F1196 CarbonylContact O-C 3.41Å; E1193-F1196 WeakPolarHBondContact O-CA 3.46Å; E1193-F1196 WeakPolarHBondContact O-CB 3.41Å; E1193-F1196 PolarHBondContact O-N 2.83Å; E1193-E1197 WeakPolarHBondContact O-CG 3.1Å; E1193-E1197 PolarHBondContact O-N 3.07Å
1194V76.1Confident68.1Low25 Ų2549.8 Ų49.815%0.15223%0.233CC..Hα-helixtrans-64.4-35.7178.6-177.60000112.1R1063 L1067 C1190 Q1192 E1197 L1198R1063-V1194 VanDerWaalsContact NH2-CG1 3.27Å; L1067-V1194 HydrophobicContact CD1-CG1 4.27Å; L1067-V1194 HydrophobicContact CD2-CB 4.14Å; L1067-V1194 HydrophobicContact CD2-CG1 3.54Å; L1067-V1194 HydrophobicContact CG-CG1 4.19Å; C1190-V1194 VanDerWaalsContact O-CG2 3.32Å; C1190-V1194 WeakPolarHBondContact O-CG2 3.27Å; C1190-V1194 PolarHBondContact O-N 3.46Å; Q1192-V1194 VanDerWaalsContact C-N 3.31Å; Q1192-V1194 PolarHBondContact O-N 3.18Å; V1194-E1197 PolarHBondContact O-N 2.6Å; V1194-L1198 PolarHBondContact O-N 2.98Å
1195W80.6Confident69.9Low5 Ų546.4 Ų46.42%0.01922%0.219CC..Hα-helixtrans-67.3-37.1172.2-80.1102.1000112F1064 L1067 F1125 S1191 Q1192 E1193 L1198 A1199 L1296 Y1299 L1300 L1303F1064-W1195 HydrophobicContact CD2-CH2 4.24Å; F1064-W1195 HydrophobicContact CD2-CZ3 4.25Å; F1064-W1195 HydrophobicContact CE2-CH2 4.02Å; F1064-W1195 HydrophobicContact CE2-CZ3 4.13Å; L1067-W1195 HydrophobicContact CB-CH2 4.15Å; L1067-W1195 HydrophobicContact CB-CZ2 3.78Å; L1067-W1195 HydrophobicContact CD1-CD2 3.95Å; L1067-W1195 HydrophobicContact CD1-CE3 4.06Å; L1067-W1195 HydrophobicContact CD1-CG 4.48Å; L1067-W1195 HydrophobicContact CD1-CH2 4.23Å; L1067-W1195 HydrophobicContact CD1-CZ2 4.15Å; L1067-W1195 HydrophobicContact CD1-CZ3 4.2Å; L1067-W1195 HydrophobicContact CG-CZ2 4.42Å; F1125-W1195 AromaticContact CZ-CD1 3.79Å; S1191-W1195 VanDerWaalsContact O-CD1 3.23Å; S1191-W1195 PolarHBondContact O-N 3.5Å; Q1192-W1195 WeakPolarHBondContact O-CB 3.3Å; Q1192-W1195 PolarHBondContact O-N 3.06Å; Q1192-W1195 VanDerWaalsContact O-N 3.11Å; E1193-W1195 VanDerWaalsContact C-N 3.32Å; E1193-W1195 PolarHBondContact O-N 3.08Å; W1195-L1198 HydrophobicContact CE3-CD2 4.25Å; W1195-L1198 HydrophobicContact CZ3-CD2 4.11Å; W1195-L1198 PolarHBondContact O-N 3.39Å; W1195-A1199 WeakPolarHBondContact O-CB 3.49Å; W1195-A1199 PolarHBondContact O-N 2.79Å; W1195-L1296 HydrophobicContact CH2-CB 4.03Å; W1195-L1296 HydrophobicContact CH2-CD2 4.07Å; W1195-L1296 HydrophobicContact CH2-CG 4.44Å; W1195-L1296 HydrophobicContact CZ2-CD2 3.79Å; W1195-Y1299 HydrophobicContact CB-CE1 4.08Å; W1195-Y1299 AromaticContact CD2-CD1 3.9Å; W1195-Y1299 HydrophobicContact CD2-CD1 3.9Å; W1195-Y1299 AromaticContact CD2-CE1 3.72Å; W1195-Y1299 HydrophobicContact CD2-CE1 3.72Å; W1195-Y1299 AromaticContact CE3-CD1 3.98Å; W1195-Y1299 HydrophobicContact CE3-CD1 3.98Å; W1195-Y1299 HydrophobicContact CE3-CE1 4.14Å; W1195-Y1299 HydrophobicContact CG-CD1 4.35Å; W1195-Y1299 AromaticContact CG-CE1 3.67Å; W1195-Y1299 HydrophobicContact CG-CE1 3.67Å; W1195-Y1299 HydrophobicContact CZ3-CD1 4.35Å; W1195-L1300 HydrophobicContact CE3-CD1 4.25Å; W1195-L1300 HydrophobicContact CZ3-CB 4.25Å; W1195-L1300 HydrophobicContact CZ3-CD1 4.29Å; W1195-L1303 HydrophobicContact CB-CD1 3.94Å
1196F76.6Confident71.2Confident35 Ų3539.4 Ų39.415%0.15419%0.192CC..Hα-helixtrans-65.7-42.1172.6-75.1-67.8000111.7Q1192 E1193 A1199 Y1200 L1303 I1313Q1192-F1196 HydrophobicContact CB-CD2 4.46Å; Q1192-F1196 HydrophobicContact CB-CE2 4.3Å; Q1192-F1196 WeakPolarHBondContact O-CD2 3.41Å; Q1192-F1196 PolarHBondContact O-N 3.42Å; E1193-F1196 CarbonylContact O-C 3.41Å; E1193-F1196 WeakPolarHBondContact O-CA 3.46Å; E1193-F1196 WeakPolarHBondContact O-CB 3.41Å; E1193-F1196 PolarHBondContact O-N 2.83Å; F1196-A1199 CarbonylContact O-C 3.55Å; F1196-A1199 WeakPolarHBondContact O-CB 3.5Å; F1196-A1199 PolarHBondContact O-N 3.34Å; F1196-Y1200 HydrophobicContact CB-CD2 4.5Å; F1196-Y1200 HydrophobicContact CB-CE2 4.19Å; F1196-Y1200 WeakPolarHBondContact O-CD2 3.3Å; F1196-Y1200 PolarHBondContact O-N 3.48Å; F1196-L1303 HydrophobicContact CE1-CD2 3.99Å; F1196-L1303 HydrophobicContact CZ-CD2 4.22Å; F1196-I1313 HydrophobicContact CD1-CD1 3.88Å; F1196-I1313 HydrophobicContact CE1-CD1 3.93Å
1197E77.6Confident72.3Confident105 Ų10536.6 Ų36.649%0.49118%0.182SC..Hα-helixtrans-58.4-47.3173-73.7-173.4159.500111.5E1193 V1194 A1199 Y1200 D1201E1193-E1197 WeakPolarHBondContact O-CG 3.1Å; E1193-E1197 PolarHBondContact O-N 3.07Å; V1194-E1197 PolarHBondContact O-N 2.6Å; E1197-A1199 VanDerWaalsContact C-N 3.32Å; E1197-A1199 PolarHBondContact O-N 2.98Å; E1197-Y1200 WeakPolarHBondContact O-CA 3.46Å; E1197-Y1200 WeakPolarHBondContact O-CB 3.44Å; E1197-Y1200 PolarHBondContact O-N 3.26Å; E1197-Y1200 VanDerWaalsContact O-N 3.1Å; E1197-D1201 PolarHBondContact O-N 3.34Å
1198L83.1Confident73.4Confident2 Ų236.1 Ų36.11%0.0118%0.184CC..Hα-helixtrans-59.5-43.8175-179.466.5000111.3I1060 R1063 F1064 L1067 V1194 W1195 Y1200 D1201 I1202 L1300I1060-L1198 HydrophobicContact CG2-CD1 4.25Å; R1063-L1198 HydrophobicContact CB-CD1 4.19Å; R1063-L1198 HydrophobicContact CG-CD1 4.03Å; F1064-L1198 HydrophobicContact CD2-CD2 4.16Å; L1067-L1198 HydrophobicContact CD1-CB 4.24Å; L1067-L1198 HydrophobicContact CD1-CD2 3.69Å; V1194-L1198 PolarHBondContact O-N 2.98Å; W1195-L1198 HydrophobicContact CE3-CD2 4.25Å; W1195-L1198 HydrophobicContact CZ3-CD2 4.11Å; W1195-L1198 PolarHBondContact O-N 3.39Å; L1198-Y1200 VanDerWaalsContact C-N 3.3Å; L1198-Y1200 PolarHBondContact O-N 3Å; L1198-D1201 PolarHBondContact O-N 3.38Å; L1198-I1202 HydrophobicContact CD1-CD1 4.33Å; L1198-I1202 HydrophobicContact CG-CD1 4.02Å; L1198-I1202 VanDerWaalsContact O-CG1 3.24Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.4Å; L1198-I1202 PolarHBondContact O-N 3.45Å; L1198-L1300 HydrophobicContact CD2-CD1 4.1Å; L1198-L1300 HydrophobicContact CG-CD1 4.44Å
1199A82.1Confident74.4Confident0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-62.3-38.717600000111.6W1195 F1196 E1197 I1202 I1203 L1304W1195-A1199 WeakPolarHBondContact O-CB 3.49Å; W1195-A1199 PolarHBondContact O-N 2.79Å; F1196-A1199 CarbonylContact O-C 3.55Å; F1196-A1199 WeakPolarHBondContact O-CB 3.5Å; F1196-A1199 PolarHBondContact O-N 3.34Å; E1197-A1199 VanDerWaalsContact C-N 3.32Å; E1197-A1199 PolarHBondContact O-N 2.98Å; A1199-I1202 PolarHBondContact O-N 3.08Å; A1199-I1203 WeakPolarHBondContact O-CB 3.32Å; A1199-I1203 WeakPolarHBondContact O-CD1 3.26Å; A1199-I1203 WeakPolarHBondContact O-CG1 3.47Å; A1199-I1203 PolarHBondContact O-N 2.88Å; A1199-L1304 HydrophobicContact CB-CD2 4.24Å
1200Y79.2Confident75.2Confident36 Ų3639.3 Ų39.314%0.14120%0.196CC..Hα-helixtrans-64.3-43.8174.4-75.1-55.1000112.4F1196 E1197 L1198 I1202 I1203 R1204 E1312 I1313 C1316F1196-Y1200 HydrophobicContact CB-CD2 4.5Å; F1196-Y1200 HydrophobicContact CB-CE2 4.19Å; F1196-Y1200 WeakPolarHBondContact O-CD2 3.3Å; F1196-Y1200 PolarHBondContact O-N 3.48Å; E1197-Y1200 WeakPolarHBondContact O-CA 3.46Å; E1197-Y1200 WeakPolarHBondContact O-CB 3.44Å; E1197-Y1200 PolarHBondContact O-N 3.26Å; E1197-Y1200 VanDerWaalsContact O-N 3.1Å; L1198-Y1200 VanDerWaalsContact C-N 3.3Å; L1198-Y1200 PolarHBondContact O-N 3Å; Y1200-I1202 VanDerWaalsContact C-N 3.32Å; Y1200-I1202 PolarHBondContact O-N 2.94Å; Y1200-I1203 PolarHBondContact O-N 3.16Å; Y1200-R1204 VanDerWaalsContact O-CB 3.28Å; Y1200-R1204 WeakPolarHBondContact O-CB 3.26Å; Y1200-R1204 VanDerWaalsContact O-CG 3.24Å; Y1200-R1204 WeakPolarHBondContact O-CG 3.46Å; Y1200-R1204 PolarHBondContact O-N 2.94Å; Y1200-E1312 WeakPolarHBondContact OH-CB 3.4Å; Y1200-E1312 PolarHBondContact OH-OE2 3.16Å; Y1200-I1313 HydrophobicContact CE1-CG1 4.13Å; Y1200-C1316 HydrophobicContact CD1-CB 4.13Å; Y1200-C1316 HydrophobicContact CE1-CB 4.08Å
1201D79.3Confident76Confident87 Ų8738.5 Ų38.547%0.46519%0.191SC..Hα-helixtrans-62-42.2177.7-74-16.1000111.2E1197 L1198 R1204 L1205E1197-D1201 PolarHBondContact O-N 3.34Å; L1198-D1201 PolarHBondContact O-N 3.38Å; D1201-R1204 PolarHBondContact O-N 2.94Å; D1201-L1205 PolarHBondContact O-N 3.36Å
1202I82.8Confident76.3Confident2 Ų240.6 Ų40.61%0.0121%0.205CC..Hα-helixtrans-63.3-44.2175.5-67.3169.6000111I1060 L1198 A1199 Y1200 R1204 L1205 I1256 V1259 L1300 L1304I1060-I1202 HydrophobicContact CD1-CG1 4.15Å; I1060-I1202 HydrophobicContact CG2-CD1 4.37Å; I1060-I1202 HydrophobicContact CG2-CG1 4.19Å; L1198-I1202 HydrophobicContact CD1-CD1 4.33Å; L1198-I1202 HydrophobicContact CG-CD1 4.02Å; L1198-I1202 VanDerWaalsContact O-CG1 3.24Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.4Å; L1198-I1202 PolarHBondContact O-N 3.45Å; A1199-I1202 PolarHBondContact O-N 3.08Å; Y1200-I1202 VanDerWaalsContact C-N 3.32Å; Y1200-I1202 PolarHBondContact O-N 2.94Å; I1202-R1204 VanDerWaalsContact C-N 3.35Å; I1202-L1205 WeakPolarHBondContact O-CB 3.41Å; I1202-L1205 PolarHBondContact O-N 3.34Å; I1202-I1256 HydrophobicContact CG2-CG1 4.47Å; I1202-I1256 HydrophobicContact CG2-CG2 4.26Å; I1202-V1259 HydrophobicContact CD1-CG1 4.29Å; I1202-V1259 HydrophobicContact CG1-CG1 4.16Å; I1202-V1259 HydrophobicContact CG2-CB 4.26Å; I1202-V1259 HydrophobicContact CG2-CG1 4.15Å; I1202-V1259 HydrophobicContact CG2-CG2 4.36Å; I1202-L1300 HydrophobicContact CD1-CD1 4.01Å; I1202-L1300 HydrophobicContact CD1-CD2 3.79Å; I1202-L1300 HydrophobicContact CD1-CG 4.31Å; I1202-L1304 HydrophobicContact CG2-CD1 4.38Å; I1202-L1304 HydrophobicContact CG2-CD2 4.17Å
1203I79.1Confident76.6Confident4 Ų438.9 Ų38.92%0.02120%0.196CC..Hα-helixtrans-68.4-35.6179.7-69.3164.4000111.4A1199 Y1200 P1206 I1256 L1304 I1313 C1316 K1317 V1320A1199-I1203 WeakPolarHBondContact O-CB 3.32Å; A1199-I1203 WeakPolarHBondContact O-CD1 3.26Å; A1199-I1203 WeakPolarHBondContact O-CG1 3.47Å; A1199-I1203 PolarHBondContact O-N 2.88Å; Y1200-I1203 PolarHBondContact O-N 3.16Å; I1203-P1206 WeakPolarHBondContact O-CD 3.45Å; I1203-I1256 HydrophobicContact CG1-CD1 4.05Å; I1203-L1304 HydrophobicContact CD1-CD2 4.09Å; I1203-L1304 HydrophobicContact CG1-CD2 3.92Å; I1203-I1313 HydrophobicContact CD1-CG2 3.51Å; I1203-C1316 HydrophobicContact CG2-CB 4.33Å; I1203-K1317 HydrophobicContact CD1-CG 4.19Å; I1203-K1317 HydrophobicContact CG2-CG 4.12Å; I1203-V1320 HydrophobicContact CG2-CG2 4.16Å
1204R80.4Confident77Confident99 Ų9935 Ų3537%0.37418%0.178SC..Hα-helixtrans-82.8-13-179.4-71.5174.9177.6-171.86113.8Y1200 D1201 I1202 P1206 V1207 I1208Y1200-R1204 VanDerWaalsContact O-CB 3.28Å; Y1200-R1204 WeakPolarHBondContact O-CB 3.26Å; Y1200-R1204 VanDerWaalsContact O-CG 3.24Å; Y1200-R1204 WeakPolarHBondContact O-CG 3.46Å; Y1200-R1204 PolarHBondContact O-N 2.94Å; D1201-R1204 PolarHBondContact O-N 2.94Å; I1202-R1204 VanDerWaalsContact C-N 3.35Å; R1204-P1206 VanDerWaalsContact C-N 3.3Å; R1204-V1207 PolarHBondContact O-N 3.32Å; R1204-I1208 HydrophobicContact CB-CD1 3.85Å; R1204-I1208 HydrophobicContact CB-CG1 4.27Å; R1204-I1208 HydrophobicContact CG-CD1 4.32Å; R1204-I1208 PolarHBondContact O-N 2.99Å; R1204-I1208 VanDerWaalsContact O-N 3.11Å
1205L80.4Confident77.1Confident2 Ų234.1 Ų34.11%0.0117%0.173CC..Hα-helixtrans-47.3-44.3-178.3179.9138.4000113.8L1053 P1056 L1057 I1060 D1201 I1202 V1207 N1209 C1210 V1259L1053-L1205 HydrophobicContact CD1-CD2 4.38Å; L1053-L1205 HydrophobicContact CD2-CD2 4.12Å; P1056-L1205 HydrophobicContact CB-CD1 3.97Å; P1056-L1205 HydrophobicContact CG-CD1 4.48Å; L1057-L1205 HydrophobicContact CD2-CD1 4.49Å; I1060-L1205 HydrophobicContact CD1-CD1 3.32Å; D1201-L1205 PolarHBondContact O-N 3.36Å; I1202-L1205 WeakPolarHBondContact O-CB 3.41Å; I1202-L1205 PolarHBondContact O-N 3.34Å; L1205-V1207 PolarHBondContact O-N 3.35Å; L1205-N1209 PolarHBondContact O-N 3.05Å; L1205-C1210 PolarHBondContact O-SG 3.16Å; L1205-V1259 HydrophobicContact CD1-CG2 4.27Å
1206P71.3Confident76.9Confident2 Ų234.1 Ų34.11%0.01317%0.173CC..Hα-helixtrans-60.7-28.8176.8-23.735.4000113.9I1203 R1204 C1210 Q1215 L1218 A1255 L1324I1203-P1206 WeakPolarHBondContact O-CD 3.45Å; R1204-P1206 VanDerWaalsContact C-N 3.3Å; P1206-C1210 WeakPolarHBondContact O-CB 3.26Å; P1206-Q1215 WeakPolarHBondContact O-CG 3.33Å; P1206-Q1215 PolarHBondContact O-NE2 3.05Å; P1206-L1218 HydrophobicContact CB-CD1 4.42Å; P1206-A1255 HydrophobicContact CG-CB 3.65Å; P1206-L1324 HydrophobicContact CB-CD1 4.17Å; P1206-L1324 HydrophobicContact CB-CD2 4.49Å
1207V73.1Confident76.9Confident41 Ų4132.5 Ų32.525%0.24817%0.166CC..Hα-helixtrans-94.2-44.1-171.6179.50000112.3R1204 L1205 Q1215 V1320 F1323R1204-V1207 PolarHBondContact O-N 3.32Å; L1205-V1207 PolarHBondContact O-N 3.35Å; V1207-Q1215 PolarHBondContact O-NE2 2.68Å; V1207-V1320 HydrophobicContact CG2-CB 4.27Å; V1207-V1320 HydrophobicContact CG2-CG1 3.89Å; V1207-V1320 HydrophobicContact CG2-CG2 3.95Å; V1207-F1323 HydrophobicContact CB-CD1 4.42Å; V1207-F1323 HydrophobicContact CB-CE1 4.48Å; V1207-F1323 HydrophobicContact CG1-CD1 3.94Å; V1207-F1323 HydrophobicContact CG1-CE1 3.83Å; V1207-F1323 HydrophobicContact CG1-CG 4.38Å; V1207-F1323 HydrophobicContact CG1-CZ 4.19Å; V1207-F1323 HydrophobicContact CG2-CD1 3.82Å; V1207-F1323 HydrophobicContact CG2-CE1 4.32Å; V1207-F1323 HydrophobicContact CG2-CG 4.47Å
1208I70.9Confident76.8Confident109 Ų10927.5 Ų27.556%0.55914%0.143SC*.Hα-helixtrans-88.5-39.1-167.9-59.4-179.2000112.1R1204R1204-I1208 HydrophobicContact CB-CD1 3.85Å; R1204-I1208 HydrophobicContact CB-CG1 4.27Å; R1204-I1208 HydrophobicContact CG-CD1 4.32Å; R1204-I1208 PolarHBondContact O-N 2.99Å; R1204-I1208 VanDerWaalsContact O-N 3.11Å
1209N71.1Confident76.5Confident92 Ų9227.7 Ų27.749%0.49214%0.144SC..THydrogen-bonded Turntrans-110.3-7.7-167.6-66.1-25.8000114P1056 L1205P1056-N1209 HydrophobicContact CB-CB 3.89Å; P1056-N1209 HydrophobicContact CG-CB 4.18Å; L1205-N1209 PolarHBondContact O-N 3.05Å
1210C74.2Confident76.1Confident11 Ų1129.4 Ų29.47%0.07415%0.152CC..SBendtrans-96.2142.9-177.3-60.90000111.2L1053 L1205 P1206 L1214 Q1215L1053-C1210 WeakPolarHBondContact CD2-SG 3.39Å; L1205-C1210 PolarHBondContact O-SG 3.16Å; P1206-C1210 WeakPolarHBondContact O-CB 3.26Å; C1210-L1214 HydrophobicContact CB-CB 4.21Å; C1210-L1214 HydrophobicContact CB-CD2 3.95Å; C1210-L1214 HydrophobicContact CB-CG 4.19Å; C1210-Q1215 HydrophobicContact CB-CG 4.01Å; C1210-Q1215 PolarHBondContact O-NE2 2.84Å
1211S75.8Confident75.9Confident23 Ų2327.9 Ų27.916%0.16115%0.146CC..  trans-61.315717168.50000111.4D1005 G1213 L1214 Q1215D1005-S1211 WeakPolarHBondContact OD1-CB 3.26Å; D1005-S1211 PolarHBondContact OD1-OG 3.12Å; D1005-S1211 VanDerWaalsContact OD2-CB 3.3Å; D1005-S1211 WeakPolarHBondContact OD2-CB 3.48Å; D1005-S1211 PolarHBondContact OD2-OG 3.03Å; S1211-G1213 PolarHBondContact O-N 3.09Å; S1211-L1214 PolarHBondContact O-N 2.93Å; S1211-L1214 VanDerWaalsContact OG-CB 3.26Å; S1211-L1214 WeakPolarHBondContact OG-CB 3.33Å; S1211-L1214 PolarHBondContact OG-N 3.42Å; S1211-L1214 VanDerWaalsContact OG-N 3.11Å; S1211-Q1215 VanDerWaalsContact O-CG 3.31Å; S1211-Q1215 WeakPolarHBondContact O-CG 3.29Å; S1211-Q1215 PolarHBondContact O-N 3.19Å
1212P72.4Confident75.7Confident51 Ų5124.2 Ų24.233%0.33113%0.126SC..Hα-helixtrans-43.7-43.3168.9-3842000115.5T1011 Q1215 S1216T1011-P1212 HydrophobicContact CG2-CB 3.53Å; T1011-P1212 HydrophobicContact CG2-CG 4.19Å; P1212-Q1215 WeakPolarHBondContact O-CB 3.49Å; P1212-S1216 PolarHBondContact O-N 3.38Å
1213G74.4Confident75.4Confident0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-76.5-37.2-177.800000113T1011 L1014 S1211 Q1215 S1216 A1217T1011-G1213 WeakPolarHBondContact O-CA 3.37Å; L1014-G1213 WeakPolarHBondContact CB-O 3.26Å; S1211-G1213 PolarHBondContact O-N 3.09Å; G1213-Q1215 VanDerWaalsContact C-N 3.28Å; G1213-Q1215 PolarHBondContact O-N 3.49Å; G1213-S1216 PolarHBondContact O-N 3.44Å; G1213-A1217 PolarHBondContact O-N 3.25Å
1214L77.5Confident75.1Confident4 Ų429 Ų292%0.02115%0.151CC..Hα-helixtrans-66.1-34.6173.8-171.661.3000111.6L1014 L1049 L1052 L1053 C1210 S1211 A1217 L1218L1014-L1214 HydrophobicContact CD1-CB 4.21Å; L1049-L1214 HydrophobicContact CD2-CD1 3.58Å; L1052-L1214 HydrophobicContact CB-CD2 4.37Å; L1052-L1214 HydrophobicContact CD1-CD1 4.35Å; L1053-L1214 HydrophobicContact CD2-CD2 3.42Å; L1053-L1214 VanDerWaalsContact CD2-CD2 3.42Å; L1053-L1214 HydrophobicContact CG-CD2 3.86Å; C1210-L1214 HydrophobicContact CB-CB 4.21Å; C1210-L1214 HydrophobicContact CB-CD2 3.95Å; C1210-L1214 HydrophobicContact CB-CG 4.19Å; S1211-L1214 PolarHBondContact O-N 2.93Å; S1211-L1214 VanDerWaalsContact OG-CB 3.26Å; S1211-L1214 WeakPolarHBondContact OG-CB 3.33Å; S1211-L1214 PolarHBondContact OG-N 3.42Å; S1211-L1214 VanDerWaalsContact OG-N 3.11Å; L1214-A1217 PolarHBondContact O-N 2.92Å; L1214-L1218 HydrophobicContact CD1-CG 4.47Å; L1214-L1218 HydrophobicContact CG-CD1 4.2Å; L1214-L1218 HydrophobicContact CG-CG 4.45Å; L1214-L1218 WeakPolarHBondContact O-CB 3.34Å; L1214-L1218 VanDerWaalsContact O-CG 3.26Å; L1214-L1218 WeakPolarHBondContact O-CG 3.49Å; L1214-L1218 PolarHBondContact O-N 3.47Å
1215Q77.4Confident74.6Confident7 Ų725.2 Ų25.23%0.03314%0.137CC..Hα-helixtrans-57.4-52.8170.6-72.7175.123.800110.9P1206 V1207 C1210 S1211 P1212 G1213 A1217 L1218 T1219 L1324 R1327P1206-Q1215 WeakPolarHBondContact O-CG 3.33Å; P1206-Q1215 PolarHBondContact O-NE2 3.05Å; V1207-Q1215 PolarHBondContact O-NE2 2.68Å; C1210-Q1215 HydrophobicContact CB-CG 4.01Å; C1210-Q1215 PolarHBondContact O-NE2 2.84Å; S1211-Q1215 VanDerWaalsContact O-CG 3.31Å; S1211-Q1215 WeakPolarHBondContact O-CG 3.29Å; S1211-Q1215 PolarHBondContact O-N 3.19Å; P1212-Q1215 WeakPolarHBondContact O-CB 3.49Å; G1213-Q1215 VanDerWaalsContact C-N 3.28Å; G1213-Q1215 PolarHBondContact O-N 3.49Å; Q1215-A1217 VanDerWaalsContact C-N 3.32Å; Q1215-A1217 PolarHBondContact O-N 2.85Å; Q1215-L1218 PolarHBondContact O-N 3.39Å; Q1215-T1219 WeakPolarHBondContact O-CG2 3.43Å; Q1215-T1219 PolarHBondContact O-N 3.47Å; Q1215-T1219 PolarHBondContact O-OG1 3.43Å; Q1215-L1324 HydrophobicContact CB-CD2 4.26Å; Q1215-L1324 HydrophobicContact CG-CD2 4.48Å; Q1215-R1327 VanDerWaalsContact OE1-CZ 3.25Å
1216S75.5Confident74.1Confident4 Ų427.5 Ų27.53%0.02815%0.149CC..Hα-helixtrans-62.7-35177.9-173.80000113.2P1212 G1213 T1219 K1220P1212-S1216 PolarHBondContact O-N 3.38Å; G1213-S1216 PolarHBondContact O-N 3.44Å; S1216-T1219 WeakPolarHBondContact CA-OG1 3.46Å; S1216-T1219 PolarHBondContact O-OG1 3.43Å; S1216-K1220 WeakPolarHBondContact O-CG 3.49Å; S1216-K1220 PolarHBondContact O-N 2.9Å
1217A76.4Confident74Confident1 Ų130.9 Ų30.91%0.00817%0.169CC..Hα-helixtrans-66.7-47.3174.300000112L1014 V1018 G1213 L1214 Q1215 T1219 K1220 I1221L1014-A1217 HydrophobicContact CB-CB 3.97Å; V1018-A1217 HydrophobicContact CG2-CB 3.6Å; G1213-A1217 PolarHBondContact O-N 3.25Å; L1214-A1217 PolarHBondContact O-N 2.92Å; Q1215-A1217 VanDerWaalsContact C-N 3.32Å; Q1215-A1217 PolarHBondContact O-N 2.85Å; A1217-T1219 VanDerWaalsContact C-N 3.3Å; A1217-T1219 PolarHBondContact O-N 3.46Å; A1217-K1220 PolarHBondContact O-N 3.48Å; A1217-I1221 VanDerWaalsContact O-CG1 3.24Å; A1217-I1221 WeakPolarHBondContact O-CG1 3.42Å; A1217-I1221 PolarHBondContact O-N 2.63Å
1218L77.2Confident73.7Confident1 Ų130.8 Ų30.81%0.00517%0.167CC..Hα-helixtrans-63.1-36.1-179.7-73.5172.6000112.1P1206 L1214 Q1215 N1222 F1254 A1255P1206-L1218 HydrophobicContact CB-CD1 4.42Å; L1214-L1218 HydrophobicContact CD1-CG 4.47Å; L1214-L1218 HydrophobicContact CG-CD1 4.2Å; L1214-L1218 HydrophobicContact CG-CG 4.45Å; L1214-L1218 WeakPolarHBondContact O-CB 3.34Å; L1214-L1218 VanDerWaalsContact O-CG 3.26Å; L1214-L1218 WeakPolarHBondContact O-CG 3.49Å; L1214-L1218 PolarHBondContact O-N 3.47Å; Q1215-L1218 PolarHBondContact O-N 3.39Å; L1218-N1222 WeakPolarHBondContact O-CB 3.21Å; L1218-N1222 PolarHBondContact O-N 3.2Å; L1218-F1254 HydrophobicContact CD2-CD1 4.18Å; L1218-F1254 HydrophobicContact CD2-CE1 4.4Å; L1218-A1255 HydrophobicContact CD1-CB 4.41Å; L1218-A1255 HydrophobicContact CD2-CB 4.35Å
1219T75.2Confident73.5Confident6 Ų627.5 Ų27.54%0.03715%0.152CC..Hα-helixtrans-64.7-51.2174.954.90000111.7Q1215 S1216 A1217 I1221 N1222 D1223 L1324 N1328Q1215-T1219 WeakPolarHBondContact O-CG2 3.43Å; Q1215-T1219 PolarHBondContact O-N 3.47Å; Q1215-T1219 PolarHBondContact O-OG1 3.43Å; S1216-T1219 WeakPolarHBondContact CA-OG1 3.46Å; S1216-T1219 PolarHBondContact O-OG1 3.43Å; A1217-T1219 VanDerWaalsContact C-N 3.3Å; A1217-T1219 PolarHBondContact O-N 3.46Å; T1219-I1221 VanDerWaalsContact C-N 3.35Å; T1219-I1221 PolarHBondContact O-N 3.38Å; T1219-N1222 WeakPolarHBondContact O-CB 3.28Å; T1219-N1222 PolarHBondContact O-N 2.89Å; T1219-N1222 VanDerWaalsContact O-N 3.1Å; T1219-D1223 PolarHBondContact O-N 3.46Å; T1219-L1324 HydrophobicContact CG2-CB 3.48Å; T1219-L1324 VanDerWaalsContact CG2-CB 3.48Å; T1219-L1324 HydrophobicContact CG2-CD1 4.11Å; T1219-L1324 HydrophobicContact CG2-CD2 3.66Å; T1219-L1324 HydrophobicContact CG2-CG 3.91Å; T1219-N1328 PolarHBondContact OG1-ND2 3.29Å; T1219-N1328 PolarHBondContact OG1-OD1 3.16Å
1220K75.4Confident73.2Confident36 Ų3629.3 Ų29.316%0.15716%0.156CC..Hα-helixtrans-61.5-41.7-179.7-69.8-177.8-174.6-161.10112.4G1015 V1018 E1019 S1216 A1217 N1222 D1223 F1224G1015-K1220 WeakPolarHBondContact O-CD 3.46Å; G1015-K1220 PolarHBondContact O-NZ 3.38Å; V1018-K1220 HydrophobicContact CG1-CB 3.87Å; E1019-K1220 HydrophobicContact CG-CD 4.03Å; E1019-K1220 WeakPolarHBondContact OE1-CD 3.45Å; E1019-K1220 VanDerWaalsContact OE1-CE 3.29Å; E1019-K1220 WeakPolarHBondContact OE1-CE 3.43Å; E1019-K1220 IonicContact OE1-NZ 3.31Å; E1019-K1220 PolarHBondContact OE1-NZ 3.04Å; E1019-K1220 IonicContact OE2-NZ 2.79Å; E1019-K1220 PolarHBondContact OE2-NZ 3.36Å; E1019-K1220 VanDerWaalsContact OE2-NZ 3.16Å; S1216-K1220 WeakPolarHBondContact O-CG 3.49Å; S1216-K1220 PolarHBondContact O-N 2.9Å; A1217-K1220 PolarHBondContact O-N 3.48Å; K1220-N1222 VanDerWaalsContact C-N 3.34Å; K1220-D1223 PolarHBondContact O-N 3.08Å; K1220-F1224 WeakPolarHBondContact O-CB 3.42Å; K1220-F1224 PolarHBondContact O-N 3.3Å
1221I73.6Confident72.5Confident3 Ų333.5 Ų33.52%0.01518%0.177CC..Hα-helixtrans-61.2-46.3173.8-66.3168.8000110V1018 L1049 A1217 T1219 D1223 F1224 F1225 F1254V1018-I1221 HydrophobicContact CB-CG1 4.33Å; V1018-I1221 HydrophobicContact CG1-CG1 3.54Å; V1018-I1221 HydrophobicContact CG2-CD1 3.83Å; V1018-I1221 HydrophobicContact CG2-CG1 3.74Å; L1049-I1221 HydrophobicContact CD1-CD1 3.74Å; A1217-I1221 VanDerWaalsContact O-CG1 3.24Å; A1217-I1221 WeakPolarHBondContact O-CG1 3.42Å; A1217-I1221 PolarHBondContact O-N 2.63Å; T1219-I1221 VanDerWaalsContact C-N 3.35Å; T1219-I1221 PolarHBondContact O-N 3.38Å; I1221-D1223 PolarHBondContact O-N 3.49Å; I1221-F1224 WeakPolarHBondContact O-CB 3.23Å; I1221-F1224 PolarHBondContact O-N 2.81Å; I1221-F1225 HydrophobicContact CG2-CD2 3.49Å; I1221-F1225 VanDerWaalsContact CG2-CD2 3.49Å; I1221-F1225 HydrophobicContact CG2-CE2 3.51Å; I1221-F1225 VanDerWaalsContact O-CD2 3.28Å; I1221-F1225 WeakPolarHBondContact O-CD2 3.1Å; I1221-F1225 PolarHBondContact O-N 3.44Å; I1221-F1254 HydrophobicContact CB-CD1 4.22Å; I1221-F1254 HydrophobicContact CB-CE1 4.45Å; I1221-F1254 HydrophobicContact CD1-CE1 4.28Å; I1221-F1254 HydrophobicContact CG2-CB 4.42Å; I1221-F1254 HydrophobicContact CG2-CD1 3.47Å; I1221-F1254 VanDerWaalsContact CG2-CD1 3.47Å; I1221-F1254 HydrophobicContact CG2-CD2 3.91Å; I1221-F1254 HydrophobicContact CG2-CE1 3.57Å; I1221-F1254 HydrophobicContact CG2-CE2 3.99Å; I1221-F1254 HydrophobicContact CG2-CG 3.65Å; I1221-F1254 HydrophobicContact CG2-CZ 3.83Å
1222N76.5Confident71.6Confident10 Ų1035.3 Ų35.35%0.05318%0.183CC..Hα-helixtrans-61-44179.4-177.974.1000112.2L1218 T1219 K1220 F1224 F1225 I1226 H1253 F1254L1218-N1222 WeakPolarHBondContact O-CB 3.21Å; L1218-N1222 PolarHBondContact O-N 3.2Å; T1219-N1222 WeakPolarHBondContact O-CB 3.28Å; T1219-N1222 PolarHBondContact O-N 2.89Å; T1219-N1222 VanDerWaalsContact O-N 3.1Å; K1220-N1222 VanDerWaalsContact C-N 3.34Å; N1222-F1224 VanDerWaalsContact C-N 3.34Å; N1222-F1224 PolarHBondContact O-N 2.98Å; N1222-F1225 PolarHBondContact O-N 3Å; N1222-I1226 VanDerWaalsContact ND2-CD1 3.28Å; N1222-I1226 WeakPolarHBondContact ND2-CD1 3.23Å; N1222-I1226 WeakPolarHBondContact O-CB 3.23Å; N1222-I1226 VanDerWaalsContact O-CG1 3.26Å; N1222-I1226 WeakPolarHBondContact O-CG1 3.42Å; N1222-I1226 PolarHBondContact O-N 2.94Å; N1222-H1253 VanDerWaalsContact OD1-CA 3.31Å; N1222-H1253 WeakPolarHBondContact OD1-CA 3.35Å; N1222-F1254 HydrophobicContact CB-CB 4.09Å; N1222-F1254 PolarHBondContact OD1-N 3.48Å
1223D75Confident70.6Confident77 Ų7736.3 Ų36.341%0.41219%0.192SC..Hα-helixtrans-63.7-40.5177.5-68-21.7000111.7T1219 K1220 I1221 I1226 T1227T1219-D1223 PolarHBondContact O-N 3.46Å; K1220-D1223 PolarHBondContact O-N 3.08Å; I1221-D1223 PolarHBondContact O-N 3.49Å; D1223-I1226 PolarHBondContact O-N 2.96Å; D1223-T1227 WeakPolarHBondContact O-CB 3.41Å; D1223-T1227 PolarHBondContact O-N 2.81Å; D1223-T1227 PolarHBondContact O-OG1 3.4Å
1224F73.2Confident69.4Low30 Ų3041.2 Ų41.213%0.13222%0.221CC..Hα-helixtrans-60.2-51.6173.4173-97000111.7I1023 S1026 E1027 K1220 I1221 N1222 I1226 T1227 L1228I1023-F1224 HydrophobicContact CB-CD2 4.32Å; I1023-F1224 HydrophobicContact CB-CE2 4.46Å; I1023-F1224 HydrophobicContact CD1-CB 4.1Å; I1023-F1224 HydrophobicContact CD1-CD2 4.24Å; I1023-F1224 HydrophobicContact CD1-CG 4.34Å; I1023-F1224 HydrophobicContact CG1-CB 4.19Å; I1023-F1224 HydrophobicContact CG1-CD2 3.99Å; I1023-F1224 HydrophobicContact CG1-CG 4.01Å; I1023-F1224 HydrophobicContact CG2-CD2 3.65Å; I1023-F1224 HydrophobicContact CG2-CE2 3.64Å; I1023-F1224 HydrophobicContact CG2-CG 4.48Å; I1023-F1224 HydrophobicContact CG2-CZ 4.45Å; S1026-F1224 WeakPolarHBondContact OG-CE1 3.47Å; S1026-F1224 WeakPolarHBondContact OG-CZ 3.48Å; E1027-F1224 HydrophobicContact CG-CE2 4.4Å; E1027-F1224 HydrophobicContact CG-CZ 3.96Å; K1220-F1224 WeakPolarHBondContact O-CB 3.42Å; K1220-F1224 PolarHBondContact O-N 3.3Å; I1221-F1224 WeakPolarHBondContact O-CB 3.23Å; I1221-F1224 PolarHBondContact O-N 2.81Å; N1222-F1224 VanDerWaalsContact C-N 3.34Å; N1222-F1224 PolarHBondContact O-N 2.98Å; F1224-I1226 PolarHBondContact O-N 3.2Å; F1224-T1227 WeakPolarHBondContact O-CB 3.43Å; F1224-T1227 PolarHBondContact O-N 3.1Å; F1224-T1227 VanDerWaalsContact O-N 3.16Å; F1224-L1228 HydrophobicContact CD1-CD1 4.37Å; F1224-L1228 HydrophobicContact CE1-CD1 3.41Å; F1224-L1228 VanDerWaalsContact CE1-CD1 3.41Å; F1224-L1228 HydrophobicContact CE2-CD1 4.04Å; F1224-L1228 HydrophobicContact CZ-CD1 3.24Å; F1224-L1228 WeakPolarHBondContact O-CB 3.39Å; F1224-L1228 PolarHBondContact O-N 2.81Å
1225F70Confident67.9Low19 Ų1948.9 Ų48.98%0.08326%0.257CS..Hα-helixtrans-63.4-40.2179.3-86.2-74.6000112.2I1221 N1222 T1227 L1228 T1229 I1249 F1254I1221-F1225 HydrophobicContact CG2-CD2 3.49Å; I1221-F1225 VanDerWaalsContact CG2-CD2 3.49Å; I1221-F1225 HydrophobicContact CG2-CE2 3.51Å; I1221-F1225 VanDerWaalsContact O-CD2 3.28Å; I1221-F1225 WeakPolarHBondContact O-CD2 3.1Å; I1221-F1225 PolarHBondContact O-N 3.44Å; N1222-F1225 PolarHBondContact O-N 3Å; F1225-T1227 VanDerWaalsContact C-N 3.3Å; F1225-T1227 PolarHBondContact O-N 2.57Å; F1225-L1228 PolarHBondContact O-N 3.25Å; F1225-T1229 PolarHBondContact O-N 2.94Å; F1225-T1229 PolarHBondContact O-OG1 3.06Å; F1225-I1249 HydrophobicContact CB-CD1 3.74Å; F1225-F1254 AromaticContact CD2-CD2 3.54Å; F1225-F1254 HydrophobicContact CD2-CD2 3.54Å; F1225-F1254 AromaticContact CD2-CE2 3.91Å; F1225-F1254 HydrophobicContact CD2-CE2 3.91Å; F1225-F1254 HydrophobicContact CD2-CG 4.21Å; F1225-F1254 AromaticContact CE2-CD2 3.54Å; F1225-F1254 HydrophobicContact CE2-CD2 3.54Å; F1225-F1254 AromaticContact CE2-CE2 3.38Å; F1225-F1254 HydrophobicContact CE2-CE2 3.38Å; F1225-F1254 HydrophobicContact CE2-CG 4.45Å; F1225-F1254 HydrophobicContact CE2-CZ 4.19Å; F1225-F1254 HydrophobicContact CG-CD2 4.32Å; F1225-F1254 HydrophobicContact CZ-CD2 4.31Å; F1225-F1254 AromaticContact CZ-CE2 3.95Å; F1225-F1254 HydrophobicContact CZ-CE2 3.95Å
1226I70.2Confident65.9Low51 Ų5151.9 Ų51.926%0.26228%0.278SS..Hα-helixtrans-59.2-43.5174-71.7169.5000110.8N1222 D1223 F1224 T1229 K1230N1222-I1226 VanDerWaalsContact ND2-CD1 3.28Å; N1222-I1226 WeakPolarHBondContact ND2-CD1 3.23Å; N1222-I1226 WeakPolarHBondContact O-CB 3.23Å; N1222-I1226 VanDerWaalsContact O-CG1 3.26Å; N1222-I1226 WeakPolarHBondContact O-CG1 3.42Å; N1222-I1226 PolarHBondContact O-N 2.94Å; D1223-I1226 PolarHBondContact O-N 2.96Å; F1224-I1226 PolarHBondContact O-N 3.2Å; I1226-T1229 PolarHBondContact O-N 3.41Å; I1226-K1230 HydrophobicContact CG2-CD 4.31Å; I1226-K1230 WeakPolarHBondContact O-CG 3.2Å; I1226-K1230 PolarHBondContact O-N 2.99Å
1227T69.7Low64.3Low72 Ų7256.1 Ų56.144%0.44231%0.308SS..Hα-helixtrans-63.5-43.9177.6-54.70000111.2D1223 F1224 F1225 T1229 K1230 N1231D1223-T1227 WeakPolarHBondContact O-CB 3.41Å; D1223-T1227 PolarHBondContact O-N 2.81Å; D1223-T1227 PolarHBondContact O-OG1 3.4Å; F1224-T1227 WeakPolarHBondContact O-CB 3.43Å; F1224-T1227 PolarHBondContact O-N 3.1Å; F1224-T1227 VanDerWaalsContact O-N 3.16Å; F1225-T1227 VanDerWaalsContact C-N 3.3Å; F1225-T1227 PolarHBondContact O-N 2.57Å; T1227-T1229 VanDerWaalsContact C-N 3.33Å; T1227-T1229 PolarHBondContact O-N 3.28Å; T1227-K1230 PolarHBondContact O-N 2.89Å; T1227-N1231 VanDerWaalsContact O-CG 3.29Å; T1227-N1231 PolarHBondContact O-N 3.11Å
1228L67Low62.8Low39 Ų3964.6 Ų64.620%0.20435%0.347CS..Hα-helixtrans-63.9-39.8178.2-147.2143.7000111.6F1224 F1225 K1230 N1231 Q1232F1224-L1228 HydrophobicContact CD1-CD1 4.37Å; F1224-L1228 HydrophobicContact CE1-CD1 3.41Å; F1224-L1228 VanDerWaalsContact CE1-CD1 3.41Å; F1224-L1228 HydrophobicContact CE2-CD1 4.04Å; F1224-L1228 HydrophobicContact CZ-CD1 3.24Å; F1224-L1228 WeakPolarHBondContact O-CB 3.39Å; F1224-L1228 PolarHBondContact O-N 2.81Å; F1225-L1228 PolarHBondContact O-N 3.25Å; L1228-K1230 PolarHBondContact O-N 3.31Å; L1228-N1231 PolarHBondContact O-N 3.47Å; L1228-Q1232 HydrophobicContact CD2-CG 4.26Å; L1228-Q1232 VanDerWaalsContact CD2-NE2 3.32Å; L1228-Q1232 WeakPolarHBondContact O-CB 3.35Å; L1228-Q1232 WeakPolarHBondContact O-CG 3.29Å; L1228-Q1232 PolarHBondContact O-N 3.48Å
1229T64.9Low60.8Low40 Ų4073 Ų7325%0.24539%0.386CS..Hα-helixtrans-65.3-38.4175.8-31.90000111.8F1225 I1226 T1227 S1233 N1247F1225-T1229 PolarHBondContact O-N 2.94Å; F1225-T1229 PolarHBondContact O-OG1 3.06Å; I1226-T1229 PolarHBondContact O-N 3.41Å; T1227-T1229 VanDerWaalsContact C-N 3.33Å; T1227-T1229 PolarHBondContact O-N 3.28Å; T1229-S1233 PolarHBondContact O-N 2.7Å; T1229-S1233 VanDerWaalsContact O-N 3.08Å; T1229-S1233 PolarHBondContact O-OG 2.76Å; T1229-N1247 HydrophobicContact CG2-CB 4.48Å; T1229-N1247 WeakPolarHBondContact CG2-O 3.48Å
1230K65.4Low58.8Low131 Ų13177.8 Ų77.857%0.5741%0.411SS*.Hα-helixtrans-68.3-38174.9-74.5175.1-178.5175.90112.5I1226 T1227 L1228 S1233 V1234I1226-K1230 HydrophobicContact CG2-CD 4.31Å; I1226-K1230 WeakPolarHBondContact O-CG 3.2Å; I1226-K1230 PolarHBondContact O-N 2.99Å; T1227-K1230 PolarHBondContact O-N 2.89Å; L1228-K1230 PolarHBondContact O-N 3.31Å; K1230-S1233 PolarHBondContact O-OG 3.37Å; K1230-V1234 WeakPolarHBondContact O-CG2 3.34Å; K1230-V1234 PolarHBondContact O-N 3.49Å
1231N60.3Low56.9Low98 Ų9883.4 Ų83.452%0.52444%0.442SS..Hα-helixtrans-70.9-42.4178.5-68.3-11.1000111.1T1227 L1228 S1233 V1234 E1235T1227-N1231 VanDerWaalsContact O-CG 3.29Å; T1227-N1231 PolarHBondContact O-N 3.11Å; L1228-N1231 PolarHBondContact O-N 3.47Å; N1231-S1233 VanDerWaalsContact C-N 3.32Å; N1231-S1233 PolarHBondContact O-N 2.68Å; N1231-V1234 PolarHBondContact O-N 3.41Å; N1231-V1234 VanDerWaalsContact O-N 3.15Å; N1231-E1235 PolarHBondContact O-N 2.94Å; N1231-E1235 VanDerWaalsContact O-N 3.13Å
1232Q57.4Low55Low61 Ų6190 Ų9029%0.28548%0.478SS..Hα-helixtrans-63.9-34.9175.3-74.4-177.9-6.700112.8L1228 V1234 C1236 N1247L1228-Q1232 HydrophobicContact CD2-CG 4.26Å; L1228-Q1232 VanDerWaalsContact CD2-NE2 3.32Å; L1228-Q1232 WeakPolarHBondContact O-CB 3.35Å; L1228-Q1232 WeakPolarHBondContact O-CG 3.29Å; L1228-Q1232 PolarHBondContact O-N 3.48Å; Q1232-V1234 VanDerWaalsContact C-N 3.27Å; Q1232-V1234 PolarHBondContact O-N 2.95Å; Q1232-C1236 VanDerWaalsContact O-CB 3.26Å; Q1232-C1236 WeakPolarHBondContact O-CB 3.45Å; Q1232-C1236 PolarHBondContact O-N 3.07Å; Q1232-N1247 PolarHBondContact OE1-ND2 3.36Å
1233S50.4Low52.9Low73 Ų7396 Ų9651%0.5151%0.51SS..Hα-helixtrans-68.3-27.6175.867.10000112.7T1229 K1230 N1231 S1237T1229-S1233 PolarHBondContact O-N 2.7Å; T1229-S1233 VanDerWaalsContact O-N 3.08Å; T1229-S1233 PolarHBondContact O-OG 2.76Å; K1230-S1233 PolarHBondContact O-OG 3.37Å; N1231-S1233 VanDerWaalsContact C-N 3.32Å; N1231-S1233 PolarHBondContact O-N 2.68Å; S1233-S1237 WeakPolarHBondContact O-CB 3.27Å; S1233-S1237 PolarHBondContact O-N 2.92Å
1234V49.5Very low50.9Low103 Ų10399.2 Ų99.262%0.62453%0.527SS*.Hα-helixtrans-74.2-47.2175175.70000110.9K1230 N1231 Q1232 S1237K1230-V1234 WeakPolarHBondContact O-CG2 3.34Å; K1230-V1234 PolarHBondContact O-N 3.49Å; N1231-V1234 PolarHBondContact O-N 3.41Å; N1231-V1234 VanDerWaalsContact O-N 3.15Å; Q1232-V1234 VanDerWaalsContact C-N 3.27Å; Q1232-V1234 PolarHBondContact O-N 2.95Å; V1234-S1237 PolarHBondContact O-N 3.35Å; V1234-S1237 PolarHBondContact O-OG 2.81Å
1235E45.4Very low49.2Very low165 Ų165103.9 Ų103.977%0.77155%0.553SS**Hα-helixtrans-69.9-35.8179.1-74.3-174.9161.700113.3N1231 S1237N1231-E1235 PolarHBondContact O-N 2.94Å; N1231-E1235 VanDerWaalsContact O-N 3.13Å; E1235-S1237 VanDerWaalsContact C-N 3.34Å; E1235-S1237 PolarHBondContact O-N 2.9Å
1236C36.4Very low47.8Very low69 Ų69107.1 Ų107.147%0.46658%0.578SS.*Hα-helixtrans-81.3-9.1178.7-78.70000114.3Q1232 E1238 Q1239 I1240Q1232-C1236 VanDerWaalsContact O-CB 3.26Å; Q1232-C1236 WeakPolarHBondContact O-CB 3.45Å; Q1232-C1236 PolarHBondContact O-N 3.07Å; C1236-E1238 PolarHBondContact O-N 2.97Å; C1236-E1238 VanDerWaalsContact O-N 3.16Å; C1236-Q1239 PolarHBondContact O-N 3.48Å; C1236-I1240 PolarHBondContact O-N 3.36Å
1237S42Very low46.7Very low94 Ų94108.3 Ų108.366%0.65759%0.585SS**THydrogen-bonded Turntrans-63.8-18.8-179.966.70000113.5S1233 V1234 E1235S1233-S1237 WeakPolarHBondContact O-CB 3.27Å; S1233-S1237 PolarHBondContact O-N 2.92Å; V1234-S1237 PolarHBondContact O-N 3.35Å; V1234-S1237 PolarHBondContact O-OG 2.81Å; E1235-S1237 VanDerWaalsContact C-N 3.34Å; E1235-S1237 PolarHBondContact O-N 2.9Å
1238E43.3Very low46Very low178 Ų178108.4 Ų108.483%0.83259%0.589SS**THydrogen-bonded Turntrans-88-13.4176.6-71.6-166.5161.100114.9C1236C1236-E1238 PolarHBondContact O-N 2.97Å; C1236-E1238 VanDerWaalsContact O-N 3.16Å
1239Q35.7Very low45.6Very low177 Ų177107.4 Ų107.483%0.82758%0.583SS**THydrogen-bonded Turntrans-126.1-10.9-171.6-79.4-167.5-500118.8C1236C1236-Q1239 PolarHBondContact O-N 3.48Å
1240I34.5Very low45.3Very low107 Ų107106.2 Ų106.255%0.54958%0.575SS.*  trans-137.590.6-178.6-53.7179.6000112C1236 N1242 N1243C1236-I1240 PolarHBondContact O-N 3.36Å; I1240-N1242 VanDerWaalsContact C-N 3.28Å; I1240-N1243 HydrophobicContact CG2-CB 4.3Å
1241N35Very low45Very low154 Ų154100 Ų10082%0.82455%0.549SS*.SBendtrans-87.49.2164.1-120.7-6.9000112.9
1242N33.9Very low45.3Very low143 Ų14399 Ų9977%0.76554%0.541SS*.SBendtrans-140.671.9-179.5-78.9-25.5000110.4I1240I1240-N1242 VanDerWaalsContact C-N 3.28Å
1243N32.6Very low45.9Very low136 Ų13696.7 Ų96.773%0.72753%0.53SS*.  trans174.573.3150-88.9-14.9000107.7I1240 N1245I1240-N1243 HydrophobicContact CG2-CB 4.3Å; N1243-N1245 PolarHBondContact O-N 3.25Å
1244N32.6Very low47Very low143 Ų14393.4 Ų93.477%0.76551%0.507SS*.THydrogen-bonded Turntrans-58110.7168.7-67.4-21.5000108
1245N37.6Very low48.2Very low128 Ų12888.6 Ų88.668%0.68448%0.478SS*.THydrogen-bonded Turntrans1474.6150.6-72.4-11.3000115.7N1243 N1247N1243-N1245 PolarHBondContact O-N 3.25Å; N1245-N1247 PolarHBondContact O-N 3.24Å
1246S39.8Very low49.5Very low87 Ų8781 Ų8161%0.60844%0.442SS*.THydrogen-bonded Turntrans-76.2-21.5-162.566.60000117.6
1247N47.5Very low51.4Low77 Ų7779 Ų7941%0.41243%0.426SS..THydrogen-bonded Turntrans-125.312.8-166.7-65.621.8000116.2T1229 Q1232 N1245T1229-N1247 HydrophobicContact CG2-CB 4.48Å; T1229-N1247 WeakPolarHBondContact CG2-O 3.48Å; Q1232-N1247 PolarHBondContact OE1-ND2 3.36Å; N1245-N1247 PolarHBondContact O-N 3.24Å
1248S53.9Low53.1Low74 Ų7474.5 Ų74.552%0.51740%0.395SS..PPolyproline II helixtrans-81.1124.2177.961.40000112.1D1250S1248-D1250 PolarHBondContact O-N 3.36Å
1249I59.2Low54.8Low17 Ų1766 Ų669%0.08736%0.355CS..PPolyproline II helixtrans-54.9123168-64166.9000109.3F1225 G1251 Q1252 Q1257F1225-I1249 HydrophobicContact CB-CD1 3.74Å; I1249-G1251 PolarHBondContact O-N 3.46Å; I1249-Q1252 WeakPolarHBondContact O-CA 3.46Å; I1249-Q1252 PolarHBondContact O-N 2.82Å; I1249-Q1257 HydrophobicContact CG2-CB 4.24Å
1250D59.7Low56.9Low15 Ų1557.9 Ų57.98%0.0832%0.317CS..G310 helixtrans-60131.4175.8-74.9-35.3000110.3R1034 S1248 Q1252 I1260 N1305R1034-D1250 IonicContact NH2-OD1 3.13Å; S1248-D1250 PolarHBondContact O-N 3.36Å; D1250-Q1252 PolarHBondContact O-N 3.13Å; D1250-I1260 HydrophobicContact CB-CD1 3.57Å; D1250-N1305 PolarHBondContact OD1-ND2 3.05Å; D1250-N1305 VanDerWaalsContact OD1-ND2 3.13Å
1251G58.6Low59Low1 Ų154.6 Ų54.61%0.0130%0.301CS..G310 helixtrans73.11.3-174.200000115.2I1249 H1253 L1304 N1305I1249-G1251 PolarHBondContact O-N 3.46Å; G1251-H1253 PolarHBondContact O-N 3.04Å; G1251-L1304 WeakPolarHBondContact CA-O 3.5Å; G1251-N1305 PolarHBondContact N-OD1 3.48Å
1252Q66.6Low61.2Low77 Ų7747.9 Ų47.936%0.3626%0.264SS..G310 helixtrans54.826.6-173.2-54.5179.7-11.800113.9I1249 D1250 N1307 R1321I1249-Q1252 WeakPolarHBondContact O-CA 3.46Å; I1249-Q1252 PolarHBondContact O-N 2.82Å; D1250-Q1252 PolarHBondContact O-N 3.13Å; Q1252-N1307 VanDerWaalsContact NE2-CG 3.31Å; Q1252-N1307 PolarHBondContact NE2-ND2 3.4Å; Q1252-N1307 VanDerWaalsContact NE2-ND2 3.12Å; Q1252-N1307 PolarHBondContact NE2-OD1 3.37Å; Q1252-N1307 VanDerWaalsContact NE2-OD1 3.09Å; Q1252-R1321 PolarHBondContact O-NH2 2.92Å
1253H70.4Confident63.5Low12 Ų1241 Ų416%0.05623%0.227CC..SBendtrans-149.8130.7176.8-167.1-82.2000110.7N1222 G1251 A1255 I1256 Q1257 L1324N1222-H1253 VanDerWaalsContact OD1-CA 3.31Å; N1222-H1253 WeakPolarHBondContact OD1-CA 3.35Å; G1251-H1253 PolarHBondContact O-N 3.04Å; H1253-A1255 VanDerWaalsContact C-N 3.31Å; H1253-A1255 WeakPolarHBondContact ND1-CB 3.38Å; H1253-A1255 PolarHBondContact ND1-N 3.41Å; H1253-A1255 PolarHBondContact O-N 3.31Å; H1253-I1256 HydrophobicContact CB-CD1 3.99Å; H1253-I1256 HydrophobicContact CB-CG1 4.2Å; H1253-I1256 WeakPolarHBondContact O-CB 3.24Å; H1253-I1256 PolarHBondContact O-N 3.47Å; H1253-Q1257 PolarHBondContact O-N 3.38Å; H1253-L1324 WeakPolarHBondContact NE2-CD1 3.47Å
1254F73.9Confident65.8Low4 Ų436.6 Ų36.62%0.01820%0.203CC..Hα-helixtrans-56.4-41-175.2176.7-100.6000113.5W1045 F1046 L1218 I1221 N1222 F1225 I1256 Q1257 L1258W1045-F1254 HydrophobicContact CH2-CZ 4.31Å; W1045-F1254 HydrophobicContact CZ3-CZ 4.28Å; F1046-F1254 HydrophobicContact CE2-CZ 4.4Å; L1218-F1254 HydrophobicContact CD2-CD1 4.18Å; L1218-F1254 HydrophobicContact CD2-CE1 4.4Å; I1221-F1254 HydrophobicContact CB-CD1 4.22Å; I1221-F1254 HydrophobicContact CB-CE1 4.45Å; I1221-F1254 HydrophobicContact CD1-CE1 4.28Å; I1221-F1254 HydrophobicContact CG2-CB 4.42Å; I1221-F1254 HydrophobicContact CG2-CD1 3.47Å; I1221-F1254 VanDerWaalsContact CG2-CD1 3.47Å; I1221-F1254 HydrophobicContact CG2-CD2 3.91Å; I1221-F1254 HydrophobicContact CG2-CE1 3.57Å; I1221-F1254 HydrophobicContact CG2-CE2 3.99Å; I1221-F1254 HydrophobicContact CG2-CG 3.65Å; I1221-F1254 HydrophobicContact CG2-CZ 3.83Å; N1222-F1254 HydrophobicContact CB-CB 4.09Å; N1222-F1254 PolarHBondContact OD1-N 3.48Å; F1225-F1254 AromaticContact CD2-CD2 3.54Å; F1225-F1254 HydrophobicContact CD2-CD2 3.54Å; F1225-F1254 AromaticContact CD2-CE2 3.91Å; F1225-F1254 HydrophobicContact CD2-CE2 3.91Å; F1225-F1254 HydrophobicContact CD2-CG 4.21Å; F1225-F1254 AromaticContact CE2-CD2 3.54Å; F1225-F1254 HydrophobicContact CE2-CD2 3.54Å; F1225-F1254 AromaticContact CE2-CE2 3.38Å; F1225-F1254 HydrophobicContact CE2-CE2 3.38Å; F1225-F1254 HydrophobicContact CE2-CG 4.45Å; F1225-F1254 HydrophobicContact CE2-CZ 4.19Å; F1225-F1254 HydrophobicContact CG-CD2 4.32Å; F1225-F1254 HydrophobicContact CZ-CD2 4.31Å; F1225-F1254 AromaticContact CZ-CE2 3.95Å; F1225-F1254 HydrophobicContact CZ-CE2 3.95Å; F1254-I1256 PolarHBondContact O-N 2.89Å; F1254-Q1257 CarbonylContact O-C 3.39Å; F1254-Q1257 WeakPolarHBondContact O-CB 3.41Å; F1254-Q1257 PolarHBondContact O-N 3.5Å; F1254-Q1257 VanDerWaalsContact O-N 3.1Å; F1254-L1258 HydrophobicContact CE1-CB 4.44Å; F1254-L1258 HydrophobicContact CE1-CD1 3.91Å; F1254-L1258 HydrophobicContact CZ-CD1 4.37Å; F1254-L1258 PolarHBondContact O-N 3.31Å
1255A72.9Confident68.1Low2 Ų232.1 Ų32.12%0.01718%0.176CC..Hα-helixtrans-59-33.5178.700000113.2P1206 L1218 H1253 L1258 V1259P1206-A1255 HydrophobicContact CG-CB 3.65Å; L1218-A1255 HydrophobicContact CD1-CB 4.41Å; L1218-A1255 HydrophobicContact CD2-CB 4.35Å; H1253-A1255 VanDerWaalsContact C-N 3.31Å; H1253-A1255 WeakPolarHBondContact ND1-CB 3.38Å; H1253-A1255 PolarHBondContact ND1-N 3.41Å; H1253-A1255 PolarHBondContact O-N 3.31Å; A1255-L1258 PolarHBondContact O-N 3.22Å; A1255-V1259 WeakPolarHBondContact O-CG2 3.44Å; A1255-V1259 PolarHBondContact O-N 3.5Å; A1255-V1259 VanDerWaalsContact O-N 3.11Å
1256I74Confident70.3Confident5 Ų530.2 Ų30.23%0.02616%0.159CC..Hα-helixtrans-70.2-44.1177.3-60.8174.4000109.5I1202 I1203 H1253 F1254 L1258 V1259 I1260 L1304I1202-I1256 HydrophobicContact CG2-CG1 4.47Å; I1202-I1256 HydrophobicContact CG2-CG2 4.26Å; I1203-I1256 HydrophobicContact CG1-CD1 4.05Å; H1253-I1256 HydrophobicContact CB-CD1 3.99Å; H1253-I1256 HydrophobicContact CB-CG1 4.2Å; H1253-I1256 WeakPolarHBondContact O-CB 3.24Å; H1253-I1256 PolarHBondContact O-N 3.47Å; F1254-I1256 PolarHBondContact O-N 2.89Å; I1256-L1258 VanDerWaalsContact C-N 3.29Å; I1256-L1258 PolarHBondContact O-N 2.94Å; I1256-V1259 PolarHBondContact O-N 3.22Å; I1256-I1260 HydrophobicContact CG2-CD1 3.99Å; I1256-I1260 WeakPolarHBondContact O-CG1 3.29Å; I1256-I1260 PolarHBondContact O-N 3.44Å; I1256-L1304 HydrophobicContact CG2-CB 4.26Å; I1256-L1304 HydrophobicContact CG2-CD1 3.68Å; I1256-L1304 HydrophobicContact CG2-CD2 4.11Å; I1256-L1304 HydrophobicContact CG2-CG 4.24Å
1257Q74.9Confident72.3Confident28 Ų2826.3 Ų26.313%0.13113%0.132CC..Hα-helixtrans-60.1-39.1174-173.2176.2-3.400112I1249 H1253 F1254 I1260 L1261I1249-Q1257 HydrophobicContact CG2-CB 4.24Å; H1253-Q1257 PolarHBondContact O-N 3.38Å; F1254-Q1257 CarbonylContact O-C 3.39Å; F1254-Q1257 WeakPolarHBondContact O-CB 3.41Å; F1254-Q1257 PolarHBondContact O-N 3.5Å; F1254-Q1257 VanDerWaalsContact O-N 3.1Å; Q1257-I1260 PolarHBondContact O-N 3.39Å; Q1257-L1261 HydrophobicContact CG-CD1 4.29Å; Q1257-L1261 WeakPolarHBondContact O-CG 3.28Å; Q1257-L1261 PolarHBondContact O-N 2.8Å
1258L77.7Confident73.9Confident0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-60.5-45.6175.2-174.6154.2000111.5F1046 L1049 V1050 L1053 L1057 F1254 A1255 I1256 I1260 L1261 Y1262F1046-L1258 HydrophobicContact CE2-CD1 4.16Å; F1046-L1258 HydrophobicContact CE2-CG 4.06Å; F1046-L1258 HydrophobicContact CZ-CG 4.25Å; L1049-L1258 HydrophobicContact CB-CD1 4.36Å; V1050-L1258 HydrophobicContact CG2-CD2 4.41Å; L1053-L1258 HydrophobicContact CD1-CD1 4.39Å; L1053-L1258 HydrophobicContact CD1-CD2 3.83Å; L1057-L1258 HydrophobicContact CD1-CD2 4.27Å; F1254-L1258 HydrophobicContact CE1-CB 4.44Å; F1254-L1258 HydrophobicContact CE1-CD1 3.91Å; F1254-L1258 HydrophobicContact CZ-CD1 4.37Å; F1254-L1258 PolarHBondContact O-N 3.31Å; A1255-L1258 PolarHBondContact O-N 3.22Å; I1256-L1258 VanDerWaalsContact C-N 3.29Å; I1256-L1258 PolarHBondContact O-N 2.94Å; L1258-I1260 VanDerWaalsContact C-N 3.33Å; L1258-I1260 PolarHBondContact O-N 3.18Å; L1258-L1261 PolarHBondContact O-N 3.31Å; L1258-Y1262 WeakPolarHBondContact O-CB 2.99Å; L1258-Y1262 PolarHBondContact O-N 2.99Å
1259V80.6Confident75.1Confident0 Ų025.1 Ų25.10%012%0.116CC..Hα-helixtrans-61.8-41.9176.2175.10000111L1057 I1060 I1202 L1205 A1255 I1256 Y1262 L1263L1057-V1259 HydrophobicContact CD2-CB 4.4Å; L1057-V1259 HydrophobicContact CD2-CG1 4.44Å; L1057-V1259 HydrophobicContact CD2-CG2 3.81Å; I1060-V1259 HydrophobicContact CD1-CG1 4.39Å; I1060-V1259 HydrophobicContact CG2-CG1 4.13Å; I1202-V1259 HydrophobicContact CD1-CG1 4.29Å; I1202-V1259 HydrophobicContact CG1-CG1 4.16Å; I1202-V1259 HydrophobicContact CG2-CB 4.26Å; I1202-V1259 HydrophobicContact CG2-CG1 4.15Å; I1202-V1259 HydrophobicContact CG2-CG2 4.36Å; L1205-V1259 HydrophobicContact CD1-CG2 4.27Å; A1255-V1259 WeakPolarHBondContact O-CG2 3.44Å; A1255-V1259 PolarHBondContact O-N 3.5Å; A1255-V1259 VanDerWaalsContact O-N 3.11Å; I1256-V1259 PolarHBondContact O-N 3.22Å; V1259-Y1262 PolarHBondContact O-N 3.2Å; V1259-L1263 HydrophobicContact CG1-CD1 4.11Å; V1259-L1263 HydrophobicContact CG1-CG 4.35Å; V1259-L1263 WeakPolarHBondContact O-CB 3.14Å; V1259-L1263 WeakPolarHBondContact O-CG 3Å; V1259-L1263 PolarHBondContact O-N 2.9Å
1260I80.1Confident76.2Confident5 Ų525.5 Ų25.53%0.02612%0.117CC..Hα-helixtrans-64-43.1177.9-68.3163000111.4D1250 I1256 Q1257 L1258 Y1262 L1263 N1264 L1297 K1301 L1304D1250-I1260 HydrophobicContact CB-CD1 3.57Å; I1256-I1260 HydrophobicContact CG2-CD1 3.99Å; I1256-I1260 WeakPolarHBondContact O-CG1 3.29Å; I1256-I1260 PolarHBondContact O-N 3.44Å; Q1257-I1260 PolarHBondContact O-N 3.39Å; L1258-I1260 VanDerWaalsContact C-N 3.33Å; L1258-I1260 PolarHBondContact O-N 3.18Å; I1260-Y1262 VanDerWaalsContact C-N 3.35Å; I1260-L1263 PolarHBondContact O-N 2.78Å; I1260-N1264 PolarHBondContact O-N 3.37Å; I1260-N1264 PolarHBondContact O-ND2 3.2Å; I1260-N1264 VanDerWaalsContact O-ND2 3.1Å; I1260-L1297 HydrophobicContact CG2-CD1 4.45Å; I1260-K1301 HydrophobicContact CD1-CG 4.04Å; I1260-K1301 HydrophobicContact CG2-CG 4.42Å; I1260-L1304 HydrophobicContact CD1-CD1 4.16Å; I1260-L1304 HydrophobicContact CG1-CD1 4.45Å
1261L77Confident77.2Confident39 Ų3925.4 Ų25.420%0.20412%0.116CC..Hα-helixtrans-63.1-42.3175.5-73171.6000111.4F1046 Q1257 L1258 N1264 Y1265F1046-L1261 HydrophobicContact CE2-CD1 4.18Å; F1046-L1261 HydrophobicContact CZ-CB 4.12Å; F1046-L1261 HydrophobicContact CZ-CD1 3.87Å; Q1257-L1261 HydrophobicContact CG-CD1 4.29Å; Q1257-L1261 WeakPolarHBondContact O-CG 3.28Å; Q1257-L1261 PolarHBondContact O-N 2.8Å; L1258-L1261 PolarHBondContact O-N 3.31Å; L1261-N1264 WeakPolarHBondContact O-CB 3.2Å; L1261-N1264 PolarHBondContact O-N 2.75Å; L1261-Y1265 PolarHBondContact O-N 3.07Å
1262Y81.3Confident78.2Confident12 Ų1230.4 Ų30.45%0.04714%0.138CC..Hα-helixtrans-62.8-45.5175.3173.3-97000112.3V1050 L1057 W1061 L1258 V1259 I1260 N1264 Y1265 R1266V1050-Y1262 HydrophobicContact CG1-CD2 3.63Å; V1050-Y1262 HydrophobicContact CG1-CE2 3.95Å; L1057-Y1262 HydrophobicContact CB-CD1 3.9Å; L1057-Y1262 HydrophobicContact CB-CE1 3.57Å; L1057-Y1262 HydrophobicContact CB-CE2 4.29Å; L1057-Y1262 HydrophobicContact CB-CG 4.38Å; L1057-Y1262 HydrophobicContact CD1-CD1 4.27Å; L1057-Y1262 HydrophobicContact CD1-CD2 3.96Å; L1057-Y1262 HydrophobicContact CD1-CE2 4.25Å; L1057-Y1262 HydrophobicContact CD1-CG 3.94Å; L1057-Y1262 HydrophobicContact CD2-CD1 3.88Å; L1057-Y1262 HydrophobicContact CD2-CE1 4.42Å; L1057-Y1262 HydrophobicContact CD2-CG 4.15Å; L1057-Y1262 HydrophobicContact CG-CD1 4.24Å; L1057-Y1262 HydrophobicContact CG-CE1 4.39Å; L1057-Y1262 HydrophobicContact CG-CG 4.39Å; L1057-Y1262 WeakPolarHBondContact O-CE1 3.32Å; W1061-Y1262 HydrophobicContact CB-CE1 4.36Å; L1258-Y1262 WeakPolarHBondContact O-CB 2.99Å; L1258-Y1262 PolarHBondContact O-N 2.99Å; V1259-Y1262 PolarHBondContact O-N 3.2Å; I1260-Y1262 VanDerWaalsContact C-N 3.35Å; Y1262-N1264 PolarHBondContact O-N 3.2Å; Y1262-Y1265 WeakPolarHBondContact O-CB 3.44Å; Y1262-Y1265 PolarHBondContact O-N 3.44Å; Y1262-R1266 HydrophobicContact CD1-CG 4.01Å; Y1262-R1266 HydrophobicContact CD2-CG 4.19Å; Y1262-R1266 HydrophobicContact CE1-CG 3.48Å; Y1262-R1266 VanDerWaalsContact CE1-CG 3.48Å; Y1262-R1266 HydrophobicContact CE2-CG 3.7Å; Y1262-R1266 HydrophobicContact CG-CG 4.35Å; Y1262-R1266 WeakPolarHBondContact O-CG 3.39Å; Y1262-R1266 PolarHBondContact O-N 3.04Å; Y1262-R1266 WeakPolarHBondContact OH-CD 3.35Å; Y1262-R1266 PolarHBondContact OH-NH1 2.96Å
1263L82.9Confident78.8Confident0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-60.2-45.2177.1-73.9174.4000111.1I1060 W1061 F1064 V1259 I1260 Y1265 R1266 I1267 L1297 L1300I1060-L1263 HydrophobicContact CG2-CD2 4.33Å; W1061-L1263 HydrophobicContact CE3-CD2 3.71Å; W1061-L1263 HydrophobicContact CZ3-CD2 4.36Å; F1064-L1263 HydrophobicContact CB-CD2 4.27Å; F1064-L1263 HydrophobicContact CD1-CD2 4.22Å; F1064-L1263 HydrophobicContact CG-CD2 4.26Å; V1259-L1263 HydrophobicContact CG1-CD1 4.11Å; V1259-L1263 HydrophobicContact CG1-CG 4.35Å; V1259-L1263 WeakPolarHBondContact O-CB 3.14Å; V1259-L1263 WeakPolarHBondContact O-CG 3Å; V1259-L1263 PolarHBondContact O-N 2.9Å; I1260-L1263 PolarHBondContact O-N 2.78Å; L1263-Y1265 VanDerWaalsContact C-N 3.31Å; L1263-Y1265 PolarHBondContact O-N 2.89Å; L1263-R1266 PolarHBondContact O-N 3.39Å; L1263-I1267 WeakPolarHBondContact O-CD1 3.45Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.35Å; L1263-I1267 PolarHBondContact O-N 3.48Å; L1263-L1297 HydrophobicContact CB-CD1 4.1Å; L1263-L1297 HydrophobicContact CD1-CD1 4.08Å; L1263-L1300 HydrophobicContact CD1-CD2 3.84Å
1264N81.1Confident79.3Confident42 Ų4230.5 Ų30.523%0.22514%0.142CC..Hα-helixtrans-54.6-46.6173.5-85.1-51000112.4I1260 L1261 Y1262 H1268 L1297I1260-N1264 PolarHBondContact O-N 3.37Å; I1260-N1264 PolarHBondContact O-ND2 3.2Å; I1260-N1264 VanDerWaalsContact O-ND2 3.1Å; L1261-N1264 WeakPolarHBondContact O-CB 3.2Å; L1261-N1264 PolarHBondContact O-N 2.75Å; Y1262-N1264 PolarHBondContact O-N 3.2Å; N1264-H1268 PolarHBondContact O-N 2.91Å; N1264-L1297 WeakPolarHBondContact ND2-CD2 3.45Å; N1264-L1297 WeakPolarHBondContact OD1-CD2 3.31Å
1265Y81.4Confident79.6Confident50 Ų5033.2 Ų33.220%0.19616%0.161CC..Hα-helixtrans-62.7-46177.2166.5-107.7000112.3H1039 W1042 L1261 Y1262 L1263 I1267 H1268 E1269H1039-Y1265 HydrophobicContact CB-CD2 3.95Å; H1039-Y1265 HydrophobicContact CB-CE2 3.41Å; H1039-Y1265 VanDerWaalsContact CB-CE2 3.41Å; H1039-Y1265 AromaticContact CD2-CE2 3.86Å; H1039-Y1265 AromaticContact CD2-CZ 3.63Å; H1039-Y1265 AromaticContact CG-CE2 3.86Å; W1042-Y1265 AromaticContact CH2-CD1 3.96Å; W1042-Y1265 HydrophobicContact CH2-CD1 3.96Å; W1042-Y1265 HydrophobicContact CH2-CD2 4.43Å; W1042-Y1265 AromaticContact CH2-CG 3.77Å; W1042-Y1265 HydrophobicContact CH2-CG 3.77Å; W1042-Y1265 HydrophobicContact CZ2-CD2 4.4Å; W1042-Y1265 HydrophobicContact CZ2-CG 4.01Å; L1261-Y1265 PolarHBondContact O-N 3.07Å; Y1262-Y1265 WeakPolarHBondContact O-CB 3.44Å; Y1262-Y1265 PolarHBondContact O-N 3.44Å; L1263-Y1265 VanDerWaalsContact C-N 3.31Å; L1263-Y1265 PolarHBondContact O-N 2.89Å; Y1265-I1267 VanDerWaalsContact C-N 3.33Å; Y1265-I1267 PolarHBondContact O-N 3.17Å; Y1265-H1268 WeakPolarHBondContact O-CB 3.4Å; Y1265-H1268 PolarHBondContact O-N 2.69Å; Y1265-H1268 VanDerWaalsContact O-N 3.14Å; Y1265-E1269 HydrophobicContact CD2-CG 4.22Å; Y1265-E1269 HydrophobicContact CE1-CG 4.17Å; Y1265-E1269 HydrophobicContact CE2-CG 3.5Å; Y1265-E1269 VanDerWaalsContact CE2-CG 3.5Å; Y1265-E1269 VanDerWaalsContact CZ-CG 3.5Å; Y1265-E1269 PolarHBondContact O-N 2.9Å
1266R82.1Confident79.7Confident87 Ų8739 Ų3933%0.32819%0.191SC..Hα-helixtrans-64.5-36.3179.8-70.5-59-62.1-1224.8113.1W1061 Y1262 L1263 H1268 E1269 E1270W1061-R1266 HydrophobicContact CD2-CB 3.88Å; W1061-R1266 HydrophobicContact CD2-CG 4.44Å; W1061-R1266 HydrophobicContact CE3-CB 3.85Å; W1061-R1266 HydrophobicContact CH2-CB 4.03Å; W1061-R1266 HydrophobicContact CZ2-CB 4.02Å; W1061-R1266 HydrophobicContact CZ3-CB 3.95Å; Y1262-R1266 HydrophobicContact CD1-CG 4.01Å; Y1262-R1266 HydrophobicContact CD2-CG 4.19Å; Y1262-R1266 HydrophobicContact CE1-CG 3.48Å; Y1262-R1266 VanDerWaalsContact CE1-CG 3.48Å; Y1262-R1266 HydrophobicContact CE2-CG 3.7Å; Y1262-R1266 HydrophobicContact CG-CG 4.35Å; Y1262-R1266 WeakPolarHBondContact O-CG 3.39Å; Y1262-R1266 PolarHBondContact O-N 3.04Å; Y1262-R1266 WeakPolarHBondContact OH-CD 3.35Å; Y1262-R1266 PolarHBondContact OH-NH1 2.96Å; L1263-R1266 PolarHBondContact O-N 3.39Å; R1266-H1268 VanDerWaalsContact C-N 3.34Å; R1266-E1269 PolarHBondContact O-N 3.5Å; R1266-E1270 WeakPolarHBondContact O-CB 3.44Å; R1266-E1270 PolarHBondContact O-N 3.45Å
1267I82.3Confident80.1Confident6 Ų644 Ų443%0.03122%0.218CC..Hα-helixtrans-58.4-49.4171.9-67.8158.3000109.5W1061 F1064 L1263 Y1265 E1270 I1271 Y1293 L1297W1061-I1267 HydrophobicContact CH2-CG1 3.88Å; W1061-I1267 HydrophobicContact CZ3-CG1 3.76Å; F1064-I1267 HydrophobicContact CE1-CD1 4.07Å; F1064-I1267 HydrophobicContact CE1-CG1 4.41Å; L1263-I1267 WeakPolarHBondContact O-CD1 3.45Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.35Å; L1263-I1267 PolarHBondContact O-N 3.48Å; Y1265-I1267 VanDerWaalsContact C-N 3.33Å; Y1265-I1267 PolarHBondContact O-N 3.17Å; I1267-E1270 PolarHBondContact O-N 3.43Å; I1267-I1271 HydrophobicContact CG2-CD1 3.76Å; I1267-I1271 WeakPolarHBondContact O-CD1 3.45Å; I1267-I1271 VanDerWaalsContact O-CG1 3.26Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.31Å; I1267-I1271 PolarHBondContact O-N 2.97Å; I1267-I1271 VanDerWaalsContact O-N 3.1Å; I1267-Y1293 HydrophobicContact CD1-CG 4.38Å; I1267-Y1293 HydrophobicContact CG1-CD1 4.24Å; I1267-Y1293 HydrophobicContact CG1-CD2 4.46Å; I1267-Y1293 HydrophobicContact CG1-CG 3.96Å; I1267-Y1293 HydrophobicContact CG2-CD2 3.89Å; I1267-Y1293 HydrophobicContact CG2-CG 3.97Å; I1267-L1297 HydrophobicContact CD1-CD2 4.45Å
1268H80.5Confident80.2Confident70 Ų7049.4 Ų49.432%0.32425%0.248SC..Hα-helixtrans-63.2-45.1-179.7-171.973.2000112.6N1264 Y1265 R1266 I1271 K1272N1264-H1268 PolarHBondContact O-N 2.91Å; Y1265-H1268 WeakPolarHBondContact O-CB 3.4Å; Y1265-H1268 PolarHBondContact O-N 2.69Å; Y1265-H1268 VanDerWaalsContact O-N 3.14Å; R1266-H1268 VanDerWaalsContact C-N 3.34Å; H1268-I1271 PolarHBondContact O-N 3.49Å; H1268-K1272 VanDerWaalsContact O-CB 3.31Å; H1268-K1272 WeakPolarHBondContact O-CB 3.2Å; H1268-K1272 PolarHBondContact O-N 3.11Å
1269E79.3Confident80.2Confident56 Ų5655 Ų5526%0.26227%0.274SS..Hα-helixtrans-65-40.3176.9-87.6-68.6130.300112.9Y1265 R1266 I1271 K1272 T1273Y1265-E1269 HydrophobicContact CD2-CG 4.22Å; Y1265-E1269 HydrophobicContact CE1-CG 4.17Å; Y1265-E1269 HydrophobicContact CE2-CG 3.5Å; Y1265-E1269 VanDerWaalsContact CE2-CG 3.5Å; Y1265-E1269 VanDerWaalsContact CZ-CG 3.5Å; Y1265-E1269 PolarHBondContact O-N 2.9Å; R1266-E1269 PolarHBondContact O-N 3.5Å; E1269-I1271 VanDerWaalsContact C-N 3.34Å; E1269-I1271 PolarHBondContact O-N 3.19Å; E1269-K1272 PolarHBondContact O-N 2.88Å; E1269-K1272 IonicContact OE1-NZ 3.98Å; E1269-T1273 WeakPolarHBondContact O-CB 3.49Å; E1269-T1273 VanDerWaalsContact O-CG2 3.3Å; E1269-T1273 WeakPolarHBondContact O-CG2 3.42Å; E1269-T1273 PolarHBondContact O-N 3.12Å; E1269-T1273 PolarHBondContact O-OG1 3.44Å
1270E82.5Confident79.9Confident25 Ų2556.9 Ų56.912%0.11728%0.281CS..Hα-helixtrans-62.9-42176.3-176.3170-156.900111.4W1061 K1065 R1266 I1267 T1273 K1274 Y1293W1061-E1270 WeakPolarHBondContact CH2-OE2 3.45Å; W1061-E1270 HydrophobicContact CZ2-CB 4.04Å; W1061-E1270 WeakPolarHBondContact CZ2-OE2 3.45Å; K1065-E1270 WeakPolarHBondContact CE-OE1 3.36Å; K1065-E1270 IonicContact NZ-OE1 2.9Å; K1065-E1270 PolarHBondContact NZ-OE1 3.42Å; R1266-E1270 WeakPolarHBondContact O-CB 3.44Å; R1266-E1270 PolarHBondContact O-N 3.45Å; I1267-E1270 PolarHBondContact O-N 3.43Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.32Å; E1270-T1273 PolarHBondContact O-OG1 3.04Å; E1270-K1274 HydrophobicContact CG-CD 4.14Å; E1270-K1274 HydrophobicContact CG-CG 4.48Å; E1270-K1274 WeakPolarHBondContact O-CB 3.46Å; E1270-K1274 VanDerWaalsContact O-CG 3.31Å; E1270-K1274 WeakPolarHBondContact O-CG 3.45Å; E1270-K1274 PolarHBondContact O-N 3.43Å; E1270-K1274 WeakPolarHBondContact OE1-CE 3.47Å; E1270-K1274 IonicContact OE1-NZ 2.67Å; E1270-Y1293 PolarHBondContact OE2-OH 3.31Å
1271I81.1Confident79.6Confident13 Ų1365.7 Ų65.77%0.06732%0.319CS..Hα-helixtrans-67.1-43.2178-65.9162.4000110.6I1267 H1268 E1269 T1273 K1274 S1275 Y1280 Q1290I1267-I1271 HydrophobicContact CG2-CD1 3.76Å; I1267-I1271 WeakPolarHBondContact O-CD1 3.45Å; I1267-I1271 VanDerWaalsContact O-CG1 3.26Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.31Å; I1267-I1271 PolarHBondContact O-N 2.97Å; I1267-I1271 VanDerWaalsContact O-N 3.1Å; H1268-I1271 PolarHBondContact O-N 3.49Å; E1269-I1271 VanDerWaalsContact C-N 3.34Å; E1269-I1271 PolarHBondContact O-N 3.19Å; I1271-T1273 PolarHBondContact O-N 2.94Å; I1271-K1274 PolarHBondContact O-N 3.01Å; I1271-S1275 VanDerWaalsContact O-CB 3.27Å; I1271-S1275 WeakPolarHBondContact O-CB 3.29Å; I1271-S1275 PolarHBondContact O-N 2.93Å; I1271-Y1280 HydrophobicContact CG2-CE2 4.38Å; I1271-Q1290 HydrophobicContact CD1-CB 3.56Å; I1271-Q1290 HydrophobicContact CD1-CG 3.72Å
1272K79.3Confident79.4Confident105 Ų10567 Ų6746%0.45733%0.329SS..Hα-helixtrans-62-44178-174.5-179.4175.7-171.90112H1268 E1269 S1275 L1276H1268-K1272 VanDerWaalsContact O-CB 3.31Å; H1268-K1272 WeakPolarHBondContact O-CB 3.2Å; H1268-K1272 PolarHBondContact O-N 3.11Å; E1269-K1272 PolarHBondContact O-N 2.88Å; E1269-K1272 IonicContact OE1-NZ 3.98Å; K1272-S1275 PolarHBondContact O-N 3.34Å; K1272-L1276 HydrophobicContact CG-CD1 4.24Å; K1272-L1276 WeakPolarHBondContact O-CG 3.5Å; K1272-L1276 PolarHBondContact O-N 3.3Å
1273T79.5Confident79Confident59 Ų5973.7 Ų73.736%0.36236%0.361SS..Hα-helixtrans-66.9-45.4178.348.90000112.1E1269 E1270 I1271 S1275 L1276 N1277E1269-T1273 WeakPolarHBondContact O-CB 3.49Å; E1269-T1273 VanDerWaalsContact O-CG2 3.3Å; E1269-T1273 WeakPolarHBondContact O-CG2 3.42Å; E1269-T1273 PolarHBondContact O-N 3.12Å; E1269-T1273 PolarHBondContact O-OG1 3.44Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.32Å; E1270-T1273 PolarHBondContact O-OG1 3.04Å; I1271-T1273 PolarHBondContact O-N 2.94Å; T1273-S1275 VanDerWaalsContact C-N 3.3Å; T1273-S1275 PolarHBondContact O-N 2.96Å; T1273-L1276 PolarHBondContact O-N 2.97Å; T1273-N1277 WeakPolarHBondContact O-CB 3.48Å; T1273-N1277 VanDerWaalsContact O-CG 3.32Å; T1273-N1277 PolarHBondContact O-N 3.48Å
1274K81.3Confident78.7Confident32 Ų3278.9 Ų78.914%0.13939%0.385CS..Hα-helixtrans-61.1-37.4173.2-73.6177.7171172.80112.6E1270 I1271 N1277 N1278 E1279 Y1280 E1289E1270-K1274 HydrophobicContact CG-CD 4.14Å; E1270-K1274 HydrophobicContact CG-CG 4.48Å; E1270-K1274 WeakPolarHBondContact O-CB 3.46Å; E1270-K1274 VanDerWaalsContact O-CG 3.31Å; E1270-K1274 WeakPolarHBondContact O-CG 3.45Å; E1270-K1274 PolarHBondContact O-N 3.43Å; E1270-K1274 WeakPolarHBondContact OE1-CE 3.47Å; E1270-K1274 IonicContact OE1-NZ 2.67Å; I1271-K1274 PolarHBondContact O-N 3.01Å; K1274-N1277 PolarHBondContact O-N 3.33Å; K1274-N1278 PolarHBondContact O-N 2.92Å; K1274-E1279 HydrophobicContact CB-CB 4.32Å; K1274-E1279 PolarHBondContact O-N 3.29Å; K1274-Y1280 HydrophobicContact CB-CD2 4.17Å; K1274-Y1280 HydrophobicContact CB-CE2 3.39Å; K1274-Y1280 HydrophobicContact CD-CE1 4.5Å; K1274-Y1280 HydrophobicContact CD-CE2 4.36Å; K1274-Y1280 WeakPolarHBondContact CD-OH 3.48Å; K1274-E1289 IonicContact NZ-OE1 3.65Å; K1274-E1289 PolarHBondContact NZ-OE1 3.4Å; K1274-E1289 IonicContact NZ-OE2 3.62Å; K1274-E1289 PolarHBondContact NZ-OE2 3.47Å
1275S79.5Confident78.6Confident61 Ų6179.8 Ų79.843%0.42739%0.388SS..Hα-helixtrans-65.8-41.2174.3-175.20000112.3I1271 K1272 T1273 N1277 N1278I1271-S1275 VanDerWaalsContact O-CB 3.27Å; I1271-S1275 WeakPolarHBondContact O-CB 3.29Å; I1271-S1275 PolarHBondContact O-N 2.93Å; K1272-S1275 PolarHBondContact O-N 3.34Å; T1273-S1275 VanDerWaalsContact C-N 3.3Å; T1273-S1275 PolarHBondContact O-N 2.96Å; S1275-N1277 VanDerWaalsContact C-N 3.32Å; S1275-N1278 PolarHBondContact O-N 3.12Å
1276L76.2Confident78.5Confident125 Ų12578.1 Ų78.165%0.65438%0.384SS*.Hα-helixtrans-67-34176.3-78.2162.9000112.2K1272 T1273 N1278K1272-L1276 HydrophobicContact CG-CD1 4.24Å; K1272-L1276 WeakPolarHBondContact O-CG 3.5Å; K1272-L1276 PolarHBondContact O-N 3.3Å; T1273-L1276 PolarHBondContact O-N 2.97Å; L1276-N1278 PolarHBondContact O-N 2.63Å
1277N80.5Confident78.4Confident110 Ų11077.9 Ų77.959%0.58839%0.386SS*.THydrogen-bonded Turntrans-78.92.8177-68.7-11.6000113.6T1273 K1274 S1275 E1279T1273-N1277 WeakPolarHBondContact O-CB 3.48Å; T1273-N1277 VanDerWaalsContact O-CG 3.32Å; T1273-N1277 PolarHBondContact O-N 3.48Å; K1274-N1277 PolarHBondContact O-N 3.33Å; S1275-N1277 VanDerWaalsContact C-N 3.32Å; N1277-E1279 HydrophobicContact CB-CG 4.04Å; N1277-E1279 PolarHBondContact O-N 2.85Å
1278N77.1Confident78.3Confident140 Ų14077.9 Ų77.975%0.74939%0.386SS*.THydrogen-bonded Turntrans55.831.7-175.3-61.1-40.2000113.9K1274 S1275 L1276 Y1280K1274-N1278 PolarHBondContact O-N 2.92Å; S1275-N1278 PolarHBondContact O-N 3.12Å; L1276-N1278 PolarHBondContact O-N 2.63Å; N1278-Y1280 VanDerWaalsContact C-N 3.3Å
1279E78.3Confident78.4Confident118 Ų11875.5 Ų75.555%0.55138%0.375SS*.  trans-73.3-24.2178.2-69-176.9-158.500112.4K1274 N1277K1274-E1279 HydrophobicContact CB-CB 4.32Å; K1274-E1279 PolarHBondContact O-N 3.29Å; N1277-E1279 HydrophobicContact CB-CG 4.04Å; N1277-E1279 PolarHBondContact O-N 2.85Å
1280Y74Confident78.6Confident39 Ų3976.4 Ų76.415%0.15338%0.379CS..  trans-89.5131.2175.4-58.5-63.3000111.5I1271 K1274 N1278 T1282 Q1285 E1289I1271-Y1280 HydrophobicContact CG2-CE2 4.38Å; K1274-Y1280 HydrophobicContact CB-CD2 4.17Å; K1274-Y1280 HydrophobicContact CB-CE2 3.39Å; K1274-Y1280 HydrophobicContact CD-CE1 4.5Å; K1274-Y1280 HydrophobicContact CD-CE2 4.36Å; K1274-Y1280 WeakPolarHBondContact CD-OH 3.48Å; N1278-Y1280 VanDerWaalsContact C-N 3.3Å; Y1280-T1282 VanDerWaalsContact C-N 3.33Å; Y1280-Q1285 HydrophobicContact CD1-CB 3.8Å; Y1280-Q1285 HydrophobicContact CG-CB 4.4Å; Y1280-E1289 WeakPolarHBondContact CE1-OE2 3.36Å; Y1280-E1289 VanDerWaalsContact CZ-OE2 3.26Å; Y1280-E1289 PolarHBondContact OH-OE2 3.4Å
1281K73.6Confident78.6Confident190 Ų19075.8 Ų75.883%0.82638%0.377SS*.SBendtrans-75.4-25.7175.2-67.5-176.1178.5-178.90112.5
1282T73.1Confident78.7Confident68 Ų6875.3 Ų75.342%0.41738%0.375SS..SBendtrans-144.3148.5-177.358.10000110.1Y1280 Q1284 Q1285Y1280-T1282 VanDerWaalsContact C-N 3.33Å; T1282-Q1284 PolarHBondContact O-N 3.14Å; T1282-Q1285 WeakPolarHBondContact O-CB 3.45Å; T1282-Q1285 PolarHBondContact O-N 3.31Å; T1282-Q1285 WeakPolarHBondContact OG1-CG 2.93Å
1283Q73.6Confident79.1Confident151 Ų15170.3 Ų70.371%0.70635%0.353SS*.Hα-helixtrans-60.6-26.7175.2-168.2172.7-2.900112.4Q1285 S1286 E1287Q1283-Q1285 VanDerWaalsContact C-N 3.3Å; Q1283-Q1285 PolarHBondContact O-N 3.42Å; Q1283-S1286 PolarHBondContact O-N 3.09Å; Q1283-S1286 PolarHBondContact O-OG 3.42Å; Q1283-E1287 PolarHBondContact O-N 3.33Å
1284Q77Confident79.2Confident109 Ų10968.8 Ų68.851%0.50934%0.344SS..Hα-helixtrans-61.8-35.4173.5-70.6179.5-23.200112.5T1282 S1286 E1287 I1288T1282-Q1284 PolarHBondContact O-N 3.14Å; Q1284-S1286 VanDerWaalsContact C-N 3.34Å; Q1284-S1286 PolarHBondContact O-N 2.8Å; Q1284-E1287 PolarHBondContact O-N 2.71Å; Q1284-I1288 WeakPolarHBondContact O-CB 3.15Å; Q1284-I1288 WeakPolarHBondContact O-CD1 3.21Å; Q1284-I1288 WeakPolarHBondContact O-CG1 3.31Å; Q1284-I1288 PolarHBondContact O-N 3.39Å
1285Q78.1Confident79.2Confident61 Ų6167.2 Ų67.229%0.28534%0.338SS..Hα-helixtrans-64.6-38.7178.3-76.4177-32.600112.3Y1280 T1282 Q1283 I1288 E1289Y1280-Q1285 HydrophobicContact CD1-CB 3.8Å; Y1280-Q1285 HydrophobicContact CG-CB 4.4Å; T1282-Q1285 WeakPolarHBondContact O-CB 3.45Å; T1282-Q1285 PolarHBondContact O-N 3.31Å; T1282-Q1285 WeakPolarHBondContact OG1-CG 2.93Å; Q1283-Q1285 VanDerWaalsContact C-N 3.3Å; Q1283-Q1285 PolarHBondContact O-N 3.42Å; Q1285-I1288 PolarHBondContact O-N 3.45Å; Q1285-E1289 PolarHBondContact O-N 3.32Å
1286S78.5Confident79.5Confident15 Ų1564.3 Ų64.311%0.10532%0.317CS..Hα-helixtrans-65.1-40175.2440000112.3Q1283 Q1284 E1289 Q1290Q1283-S1286 PolarHBondContact O-N 3.09Å; Q1283-S1286 PolarHBondContact O-OG 3.42Å; Q1284-S1286 VanDerWaalsContact C-N 3.34Å; Q1284-S1286 PolarHBondContact O-N 2.8Å; S1286-E1289 PolarHBondContact O-N 2.95Å; S1286-Q1290 WeakPolarHBondContact O-CB 3.42Å; S1286-Q1290 PolarHBondContact O-N 3.33Å
1287E81.2Confident79.9Confident82 Ų8258.5 Ų58.538%0.38329%0.287SS..Hα-helixtrans-68.5-37.9178.8-67175.117900111.8L1087 Q1283 Q1284 Q1290 L1291L1087-E1287 HydrophobicContact CD2-CB 3.91Å; Q1283-E1287 PolarHBondContact O-N 3.33Å; Q1284-E1287 PolarHBondContact O-N 2.71Å; E1287-Q1290 WeakPolarHBondContact O-CB 3.35Å; E1287-Q1290 PolarHBondContact O-N 2.9Å; E1287-L1291 PolarHBondContact O-N 3.29Å
1288I80.8Confident80Confident6 Ų655.2 Ų55.23%0.03127%0.268CS..Hα-helixtrans-64.5-47.1175.1-68.9165.1000110.8D1080 L1083 V1084 L1087 Q1284 Q1285 Q1290 L1291 Q1292D1080-I1288 HydrophobicContact CB-CD1 4.12Å; D1080-I1288 HydrophobicContact CB-CG2 4.06Å; L1083-I1288 HydrophobicContact CB-CG2 4.38Å; V1084-I1288 HydrophobicContact CG2-CD1 3.91Å; L1087-I1288 HydrophobicContact CD1-CG1 4.07Å; L1087-I1288 HydrophobicContact CD2-CG1 3.85Å; L1087-I1288 HydrophobicContact CG-CG1 4.31Å; Q1284-I1288 WeakPolarHBondContact O-CB 3.15Å; Q1284-I1288 WeakPolarHBondContact O-CD1 3.21Å; Q1284-I1288 WeakPolarHBondContact O-CG1 3.31Å; Q1284-I1288 PolarHBondContact O-N 3.39Å; Q1285-I1288 PolarHBondContact O-N 3.45Å; I1288-Q1290 VanDerWaalsContact C-N 3.27Å; I1288-Q1290 PolarHBondContact O-N 3.25Å; I1288-L1291 WeakPolarHBondContact O-CB 3.5Å; I1288-L1291 PolarHBondContact O-N 3.5Å; I1288-L1291 VanDerWaalsContact O-N 3.14Å; I1288-Q1292 WeakPolarHBondContact O-CG 3.42Å; I1288-Q1292 PolarHBondContact O-N 3.48Å
1289E82.7Confident80.2Confident20 Ų2048.7 Ų48.79%0.09323%0.233CC..Hα-helixtrans-63.7-36.5178.2-173.7163.5-154.400110.8K1068 K1274 Y1280 Q1285 S1286 Q1292 Y1293K1068-E1289 IonicContact NZ-OE1 3.9Å; K1068-E1289 PolarHBondContact NZ-OE1 3.39Å; K1274-E1289 IonicContact NZ-OE1 3.65Å; K1274-E1289 PolarHBondContact NZ-OE1 3.4Å; K1274-E1289 IonicContact NZ-OE2 3.62Å; K1274-E1289 PolarHBondContact NZ-OE2 3.47Å; Y1280-E1289 WeakPolarHBondContact CE1-OE2 3.36Å; Y1280-E1289 VanDerWaalsContact CZ-OE2 3.26Å; Y1280-E1289 PolarHBondContact OH-OE2 3.4Å; Q1285-E1289 PolarHBondContact O-N 3.32Å; S1286-E1289 PolarHBondContact O-N 2.95Å; E1289-Q1292 PolarHBondContact O-N 2.7Å; E1289-Y1293 HydrophobicContact CG-CD2 3.9Å; E1289-Y1293 HydrophobicContact CG-CE2 3.59Å; E1289-Y1293 WeakPolarHBondContact O-CD2 3.47Å; E1289-Y1293 PolarHBondContact O-N 3.42Å; E1289-Y1293 VanDerWaalsContact O-N 3.09Å
1290Q83.4Confident80.4Confident75 Ų7543 Ų4335%0.3521%0.207SC..Hα-helixtrans-60.9-44171.7-160.7172.1-11.100112.5I1271 S1286 E1287 I1288 S1294I1271-Q1290 HydrophobicContact CD1-CB 3.56Å; I1271-Q1290 HydrophobicContact CD1-CG 3.72Å; S1286-Q1290 WeakPolarHBondContact O-CB 3.42Å; S1286-Q1290 PolarHBondContact O-N 3.33Å; E1287-Q1290 WeakPolarHBondContact O-CB 3.35Å; E1287-Q1290 PolarHBondContact O-N 2.9Å; I1288-Q1290 VanDerWaalsContact C-N 3.27Å; I1288-Q1290 PolarHBondContact O-N 3.25Å; Q1290-S1294 WeakPolarHBondContact O-CB 3.35Å; Q1290-S1294 PolarHBondContact O-N 3.22Å; Q1290-S1294 PolarHBondContact O-OG 3.17Å
1291L82.2Confident80.7Confident13 Ų1342.6 Ų42.67%0.06821%0.205CC..Hα-helixtrans-65-42.5178.1-173.370.1000111.2L1083 K1086 L1087 P1091 E1287 I1288 S1294 I1295L1083-L1291 HydrophobicContact CB-CD2 4.35Å; L1083-L1291 HydrophobicContact CD2-CD2 4.31Å; K1086-L1291 HydrophobicContact CB-CD2 4.41Å; L1087-L1291 HydrophobicContact CD2-CB 4.4Å; L1087-L1291 HydrophobicContact CD2-CD2 4.23Å; P1091-L1291 HydrophobicContact CB-CD1 4.29Å; E1287-L1291 PolarHBondContact O-N 3.29Å; I1288-L1291 WeakPolarHBondContact O-CB 3.5Å; I1288-L1291 PolarHBondContact O-N 3.5Å; I1288-L1291 VanDerWaalsContact O-N 3.14Å; L1291-S1294 WeakPolarHBondContact O-CB 3.5Å; L1291-S1294 PolarHBondContact O-N 3.09Å; L1291-I1295 HydrophobicContact CG-CD1 4.12Å; L1291-I1295 VanDerWaalsContact O-CG1 3.31Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.34Å; L1291-I1295 PolarHBondContact O-N 3.16Å
1292Q83.8Confident80.9Confident3 Ų335.1 Ų35.11%0.01418%0.177CC..Hα-helixtrans-55.7-53.7175.4-76.3169.4-3.200111.1K1068 F1078 D1080 L1083 I1288 E1289 S1294 I1295 L1296K1068-Q1292 VanDerWaalsContact CE-OE1 3.3Å; F1078-Q1292 HydrophobicContact CD1-CG 4.13Å; F1078-Q1292 HydrophobicContact CE1-CB 3.69Å; F1078-Q1292 HydrophobicContact CE1-CG 3.71Å; F1078-Q1292 HydrophobicContact CE2-CB 4.2Å; F1078-Q1292 HydrophobicContact CE2-CG 4.22Å; F1078-Q1292 HydrophobicContact CZ-CB 3.46Å; F1078-Q1292 VanDerWaalsContact CZ-CB 3.46Å; F1078-Q1292 HydrophobicContact CZ-CG 3.76Å; F1078-Q1292 WeakPolarHBondContact CZ-O 3.34Å; F1078-Q1292 PolarHBondContact O-NE2 3.35Å; D1080-Q1292 PolarHBondContact OD1-NE2 3.34Å; D1080-Q1292 VanDerWaalsContact OD1-NE2 3.12Å; L1083-Q1292 HydrophobicContact CD1-CG 3.55Å; I1288-Q1292 WeakPolarHBondContact O-CG 3.42Å; I1288-Q1292 PolarHBondContact O-N 3.48Å; E1289-Q1292 PolarHBondContact O-N 2.7Å; Q1292-S1294 VanDerWaalsContact C-N 3.28Å; Q1292-S1294 PolarHBondContact O-N 3.09Å; Q1292-I1295 PolarHBondContact O-N 2.97Å; Q1292-L1296 PolarHBondContact O-N 2.82Å
1293Y86.7Confident81Confident0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-61.1-37.5177-77.7-60.3000112.6F1064 K1068 I1267 E1270 E1289 L1296 L1297F1064-Y1293 HydrophobicContact CD1-CD1 4.33Å; F1064-Y1293 AromaticContact CE1-CD1 3.68Å; F1064-Y1293 HydrophobicContact CE1-CD1 3.68Å; F1064-Y1293 HydrophobicContact CE1-CE1 4.29Å; F1064-Y1293 HydrophobicContact CZ-CD1 4.48Å; K1068-Y1293 HydrophobicContact CB-CD1 4.3Å; K1068-Y1293 HydrophobicContact CB-CE1 3.84Å; K1068-Y1293 HydrophobicContact CD-CE1 3.85Å; K1068-Y1293 HydrophobicContact CG-CD1 3.98Å; K1068-Y1293 HydrophobicContact CG-CE1 3.65Å; I1267-Y1293 HydrophobicContact CD1-CG 4.38Å; I1267-Y1293 HydrophobicContact CG1-CD1 4.24Å; I1267-Y1293 HydrophobicContact CG1-CD2 4.46Å; I1267-Y1293 HydrophobicContact CG1-CG 3.96Å; I1267-Y1293 HydrophobicContact CG2-CD2 3.89Å; I1267-Y1293 HydrophobicContact CG2-CG 3.97Å; E1270-Y1293 PolarHBondContact OE2-OH 3.31Å; E1289-Y1293 HydrophobicContact CG-CD2 3.9Å; E1289-Y1293 HydrophobicContact CG-CE2 3.59Å; E1289-Y1293 WeakPolarHBondContact O-CD2 3.47Å; E1289-Y1293 PolarHBondContact O-N 3.42Å; E1289-Y1293 VanDerWaalsContact O-N 3.09Å; Y1293-L1296 PolarHBondContact O-N 2.8Å; Y1293-L1297 WeakPolarHBondContact O-CB 3.4Å; Y1293-L1297 PolarHBondContact O-N 2.77Å
1294S82.5Confident81.1Confident26 Ų2624.7 Ų24.718%0.18212%0.124CC..Hα-helixtrans-64.7-42.1178.6-58.90000112.2Q1290 L1291 Q1292 L1297 E1298Q1290-S1294 WeakPolarHBondContact O-CB 3.35Å; Q1290-S1294 PolarHBondContact O-N 3.22Å; Q1290-S1294 PolarHBondContact O-OG 3.17Å; L1291-S1294 WeakPolarHBondContact O-CB 3.5Å; L1291-S1294 PolarHBondContact O-N 3.09Å; Q1292-S1294 VanDerWaalsContact C-N 3.28Å; Q1292-S1294 PolarHBondContact O-N 3.09Å; S1294-L1297 PolarHBondContact O-N 3.28Å; S1294-E1298 WeakPolarHBondContact O-CG 3.31Å; S1294-E1298 PolarHBondContact O-N 3.37Å
1295I81.5Confident80.9Confident0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-61.7-45.4176.3-66.7162.7000110.6F1078 L1083 V1094 F1095 Y1098 F1127 L1291 Q1292 L1297 E1298 Y1299F1078-I1295 HydrophobicContact CE2-CB 4.3Å; F1078-I1295 HydrophobicContact CE2-CD1 4.34Å; F1078-I1295 HydrophobicContact CE2-CG2 4.29Å; L1083-I1295 HydrophobicContact CD2-CD1 4.23Å; V1094-I1295 HydrophobicContact CG1-CD1 3.67Å; V1094-I1295 HydrophobicContact CG1-CG1 4.1Å; F1095-I1295 HydrophobicContact CD2-CG2 4.28Å; Y1098-I1295 HydrophobicContact CD2-CG2 4.42Å; F1127-I1295 HydrophobicContact CE2-CG2 4.05Å; L1291-I1295 HydrophobicContact CG-CD1 4.12Å; L1291-I1295 VanDerWaalsContact O-CG1 3.31Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.34Å; L1291-I1295 PolarHBondContact O-N 3.16Å; Q1292-I1295 PolarHBondContact O-N 2.97Å; I1295-L1297 VanDerWaalsContact C-N 3.32Å; I1295-L1297 PolarHBondContact O-N 3.35Å; I1295-E1298 PolarHBondContact O-N 3.46Å; I1295-Y1299 PolarHBondContact O-N 3.35Å
1296L85Confident80.5Confident0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-67.2-34.5178.9-67.7177000112.4F1064 K1068 R1071 F1078 F1127 W1195 Q1292 Y1293 Y1299 L1300F1064-L1296 HydrophobicContact CE2-CB 4.2Å; F1064-L1296 HydrophobicContact CZ-CB 4.03Å; K1068-L1296 HydrophobicContact CB-CD1 3.51Å; K1068-L1296 HydrophobicContact CG-CD1 3.64Å; R1071-L1296 HydrophobicContact CG-CD2 4.4Å; F1078-L1296 HydrophobicContact CE1-CD1 4.11Å; F1078-L1296 HydrophobicContact CE2-CD2 4.46Å; F1078-L1296 HydrophobicContact CE2-CG 4.28Å; F1078-L1296 HydrophobicContact CZ-CD1 3.73Å; F1078-L1296 HydrophobicContact CZ-CD2 4.16Å; F1078-L1296 HydrophobicContact CZ-CG 3.69Å; F1127-L1296 HydrophobicContact CZ-CD2 4.01Å; W1195-L1296 HydrophobicContact CH2-CB 4.03Å; W1195-L1296 HydrophobicContact CH2-CD2 4.07Å; W1195-L1296 HydrophobicContact CH2-CG 4.44Å; W1195-L1296 HydrophobicContact CZ2-CD2 3.79Å; Q1292-L1296 PolarHBondContact O-N 2.82Å; Y1293-L1296 PolarHBondContact O-N 2.8Å; L1296-Y1299 WeakPolarHBondContact O-CB 3.34Å; L1296-Y1299 PolarHBondContact O-N 2.98Å; L1296-L1300 WeakPolarHBondContact O-CB 3.09Å; L1296-L1300 PolarHBondContact O-N 3.07Å
1297L84.8Confident79.6Confident2 Ų222.7 Ų22.71%0.0112%0.118CC..Hα-helixtrans-68-39.4174.8-171.667.4000111.7F1064 I1260 L1263 N1264 I1267 Y1293 S1294 I1295 Y1299 L1300 K1301F1064-L1297 HydrophobicContact CZ-CB 4.34Å; I1260-L1297 HydrophobicContact CG2-CD1 4.45Å; L1263-L1297 HydrophobicContact CB-CD1 4.1Å; L1263-L1297 HydrophobicContact CD1-CD1 4.08Å; N1264-L1297 WeakPolarHBondContact ND2-CD2 3.45Å; N1264-L1297 WeakPolarHBondContact OD1-CD2 3.31Å; I1267-L1297 HydrophobicContact CD1-CD2 4.45Å; Y1293-L1297 WeakPolarHBondContact O-CB 3.4Å; Y1293-L1297 PolarHBondContact O-N 2.77Å; S1294-L1297 PolarHBondContact O-N 3.28Å; I1295-L1297 VanDerWaalsContact C-N 3.32Å; I1295-L1297 PolarHBondContact O-N 3.35Å; L1297-Y1299 VanDerWaalsContact C-N 3.33Å; L1297-L1300 HydrophobicContact CD1-CD2 4.37Å; L1297-L1300 PolarHBondContact O-N 2.8Å; L1297-K1301 VanDerWaalsContact O-CG 3.3Å; L1297-K1301 WeakPolarHBondContact O-CG 2.91Å; L1297-K1301 PolarHBondContact O-N 3.04Å
1298E81.2Confident78.3Confident41 Ų4126 Ų2619%0.19214%0.138CC..Hα-helixtrans-64.1-37.8172.1-70.2-54.5135.700111.9T1092 F1095 S1294 I1295 K1301 S1302T1092-E1298 HydrophobicContact CG2-CG 4.08Å; T1092-E1298 WeakPolarHBondContact CG2-OE2 3.3Å; F1095-E1298 HydrophobicContact CB-CB 4.25Å; F1095-E1298 HydrophobicContact CD1-CB 4.3Å; F1095-E1298 HydrophobicContact CD2-CB 4.37Å; F1095-E1298 HydrophobicContact CG-CB 4.04Å; S1294-E1298 WeakPolarHBondContact O-CG 3.31Å; S1294-E1298 PolarHBondContact O-N 3.37Å; I1295-E1298 PolarHBondContact O-N 3.46Å; E1298-K1301 PolarHBondContact O-N 3.32Å; E1298-K1301 IonicContact OE1-NZ 2.81Å; E1298-K1301 PolarHBondContact OE1-NZ 3.31Å; E1298-S1302 PolarHBondContact O-N 3.39Å
1299Y81.5Confident76.8Confident3 Ų329.5 Ų29.51%0.01215%0.154CC..Hα-helixtrans-61.1-47.8171.6-178.6-120.1000111.9F1095 F1125 F1127 I1130 W1195 I1295 L1296 L1297 K1301 S1302 L1303F1095-Y1299 AromaticContact CE2-CD2 3.88Å; F1095-Y1299 HydrophobicContact CE2-CD2 3.88Å; F1095-Y1299 HydrophobicContact CE2-CG 4.22Å; F1095-Y1299 HydrophobicContact CZ-CD2 4.1Å; F1125-Y1299 HydrophobicContact CE2-CE1 4.12Å; F1125-Y1299 HydrophobicContact CE2-CE2 4.43Å; F1125-Y1299 AromaticContact CE2-CZ 3.73Å; F1125-Y1299 WeakPolarHBondContact CE2-OH 3.04Å; F1125-Y1299 HydrophobicContact CZ-CE1 4.09Å; F1127-Y1299 HydrophobicContact CB-CD2 3.78Å; F1127-Y1299 HydrophobicContact CB-CE2 4.02Å; F1127-Y1299 AromaticContact CD1-CD1 3.86Å; F1127-Y1299 HydrophobicContact CD1-CD1 3.86Å; F1127-Y1299 AromaticContact CD1-CD2 3.36Å; F1127-Y1299 HydrophobicContact CD1-CD2 3.36Å; F1127-Y1299 HydrophobicContact CD1-CE1 4.02Å; F1127-Y1299 AromaticContact CD1-CE2 3.55Å; F1127-Y1299 HydrophobicContact CD1-CE2 3.55Å; F1127-Y1299 AromaticContact CD1-CG 3.52Å; F1127-Y1299 HydrophobicContact CD1-CG 3.52Å; F1127-Y1299 AromaticContact CD1-CZ 3.89Å; F1127-Y1299 AromaticContact CE1-CD1 3.84Å; F1127-Y1299 HydrophobicContact CE1-CD1 3.84Å; F1127-Y1299 HydrophobicContact CE1-CD2 4.15Å; F1127-Y1299 HydrophobicContact CE1-CE1 4.16Å; F1127-Y1299 HydrophobicContact CE1-CE2 4.46Å; F1127-Y1299 AromaticContact CE1-CG 3.83Å; F1127-Y1299 HydrophobicContact CE1-CG 3.83Å; F1127-Y1299 AromaticContact CG-CD2 3.79Å; F1127-Y1299 HydrophobicContact CG-CD2 3.79Å; F1127-Y1299 HydrophobicContact CG-CE2 4.19Å; F1127-Y1299 HydrophobicContact CG-CG 4.17Å; I1130-Y1299 HydrophobicContact CD1-CE2 4.43Å; W1195-Y1299 HydrophobicContact CB-CE1 4.08Å; W1195-Y1299 AromaticContact CD2-CD1 3.9Å; W1195-Y1299 HydrophobicContact CD2-CD1 3.9Å; W1195-Y1299 AromaticContact CD2-CE1 3.72Å; W1195-Y1299 HydrophobicContact CD2-CE1 3.72Å; W1195-Y1299 AromaticContact CE3-CD1 3.98Å; W1195-Y1299 HydrophobicContact CE3-CD1 3.98Å; W1195-Y1299 HydrophobicContact CE3-CE1 4.14Å; W1195-Y1299 HydrophobicContact CG-CD1 4.35Å; W1195-Y1299 AromaticContact CG-CE1 3.67Å; W1195-Y1299 HydrophobicContact CG-CE1 3.67Å; W1195-Y1299 HydrophobicContact CZ3-CD1 4.35Å; I1295-Y1299 PolarHBondContact O-N 3.35Å; L1296-Y1299 WeakPolarHBondContact O-CB 3.34Å; L1296-Y1299 PolarHBondContact O-N 2.98Å; L1297-Y1299 VanDerWaalsContact C-N 3.33Å; Y1299-K1301 VanDerWaalsContact C-N 3.33Å; Y1299-K1301 PolarHBondContact O-N 2.89Å; Y1299-S1302 WeakPolarHBondContact O-CB 3.37Å; Y1299-S1302 PolarHBondContact O-N 3.29Å; Y1299-S1302 PolarHBondContact O-OG 3.43Å; Y1299-L1303 HydrophobicContact CD1-CD1 4.11Å; Y1299-L1303 HydrophobicContact CE1-CD1 3.57Å; Y1299-L1303 HydrophobicContact CE1-CG 4.29Å; Y1299-L1303 HydrophobicContact CE2-CD1 4.37Å; Y1299-L1303 HydrophobicContact CE2-CD2 4.35Å; Y1299-L1303 HydrophobicContact CE2-CG 4.21Å; Y1299-L1303 PolarHBondContact O-N 2.77Å
1300L83.1Confident75.6Confident0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-59.8-42.9177.1-175.364.9000111.7F1064 W1195 L1198 I1202 L1263 L1296 L1297 S1302 L1303 L1304F1064-L1300 HydrophobicContact CD2-CD2 4.36Å; F1064-L1300 HydrophobicContact CE2-CD2 4.27Å; W1195-L1300 HydrophobicContact CE3-CD1 4.25Å; W1195-L1300 HydrophobicContact CZ3-CB 4.25Å; W1195-L1300 HydrophobicContact CZ3-CD1 4.29Å; L1198-L1300 HydrophobicContact CD2-CD1 4.1Å; L1198-L1300 HydrophobicContact CG-CD1 4.44Å; I1202-L1300 HydrophobicContact CD1-CD1 4.01Å; I1202-L1300 HydrophobicContact CD1-CD2 3.79Å; I1202-L1300 HydrophobicContact CD1-CG 4.31Å; L1263-L1300 HydrophobicContact CD1-CD2 3.84Å; L1296-L1300 WeakPolarHBondContact O-CB 3.09Å; L1296-L1300 PolarHBondContact O-N 3.07Å; L1297-L1300 HydrophobicContact CD1-CD2 4.37Å; L1297-L1300 PolarHBondContact O-N 2.8Å; L1300-S1302 VanDerWaalsContact C-N 3.31Å; L1300-S1302 PolarHBondContact O-N 2.9Å; L1300-L1303 PolarHBondContact O-N 3.44Å; L1300-L1304 HydrophobicContact CD1-CD1 4.35Å; L1300-L1304 HydrophobicContact CG-CD1 3.9Å; L1300-L1304 WeakPolarHBondContact O-CB 3.24Å; L1300-L1304 WeakPolarHBondContact O-CD1 3.5Å; L1300-L1304 VanDerWaalsContact O-CG 3.24Å; L1300-L1304 WeakPolarHBondContact O-CG 3.46Å; L1300-L1304 PolarHBondContact O-N 3.34Å
1301K80.8Confident74.6Confident29 Ų2934.2 Ų34.213%0.12618%0.179CC..Hα-helixtrans-59.3-42172.9-73.4173.1-175.1172.90111.7I1260 L1297 E1298 Y1299 L1303 L1304 N1305I1260-K1301 HydrophobicContact CD1-CG 4.04Å; I1260-K1301 HydrophobicContact CG2-CG 4.42Å; L1297-K1301 VanDerWaalsContact O-CG 3.3Å; L1297-K1301 WeakPolarHBondContact O-CG 2.91Å; L1297-K1301 PolarHBondContact O-N 3.04Å; E1298-K1301 PolarHBondContact O-N 3.32Å; E1298-K1301 IonicContact OE1-NZ 2.81Å; E1298-K1301 PolarHBondContact OE1-NZ 3.31Å; Y1299-K1301 VanDerWaalsContact C-N 3.33Å; Y1299-K1301 PolarHBondContact O-N 2.89Å; K1301-L1303 VanDerWaalsContact C-N 3.34Å; K1301-L1303 PolarHBondContact O-N 3.15Å; K1301-L1304 PolarHBondContact O-N 2.85Å; K1301-N1305 VanDerWaalsContact O-CB 3.28Å; K1301-N1305 WeakPolarHBondContact O-CB 3.29Å; K1301-N1305 PolarHBondContact O-N 3.35Å; K1301-N1305 PolarHBondContact O-ND2 3.28Å
1302S77.1Confident73.9Confident33 Ų3340 Ų4023%0.23121%0.205CC..Hα-helixtrans-61.3-42.8178.380.60000111.7E1298 Y1299 L1300 N1305 V1306E1298-S1302 PolarHBondContact O-N 3.39Å; Y1299-S1302 WeakPolarHBondContact O-CB 3.37Å; Y1299-S1302 PolarHBondContact O-N 3.29Å; Y1299-S1302 PolarHBondContact O-OG 3.43Å; L1300-S1302 VanDerWaalsContact C-N 3.31Å; L1300-S1302 PolarHBondContact O-N 2.9Å; S1302-N1305 PolarHBondContact O-N 2.87Å; S1302-V1306 VanDerWaalsContact O-CG2 3.23Å; S1302-V1306 WeakPolarHBondContact O-CG2 3.39Å; S1302-V1306 PolarHBondContact O-N 2.97Å
1303L75.7Confident73.1Confident0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-64.2-42.5175.2-69.3173.4000112.1I1130 W1195 F1196 Y1299 L1300 K1301 N1305I1130-L1303 HydrophobicContact CD1-CD2 4.04Å; I1130-L1303 HydrophobicContact CG1-CD2 4.32Å; W1195-L1303 HydrophobicContact CB-CD1 3.94Å; F1196-L1303 HydrophobicContact CE1-CD2 3.99Å; F1196-L1303 HydrophobicContact CZ-CD2 4.22Å; Y1299-L1303 HydrophobicContact CD1-CD1 4.11Å; Y1299-L1303 HydrophobicContact CE1-CD1 3.57Å; Y1299-L1303 HydrophobicContact CE1-CG 4.29Å; Y1299-L1303 HydrophobicContact CE2-CD1 4.37Å; Y1299-L1303 HydrophobicContact CE2-CD2 4.35Å; Y1299-L1303 HydrophobicContact CE2-CG 4.21Å; Y1299-L1303 PolarHBondContact O-N 2.77Å; L1300-L1303 PolarHBondContact O-N 3.44Å; K1301-L1303 VanDerWaalsContact C-N 3.34Å; K1301-L1303 PolarHBondContact O-N 3.15Å; L1303-N1305 VanDerWaalsContact C-N 3.33Å; L1303-N1305 PolarHBondContact O-N 2.88Å
1304L75.7Confident72.2Confident1 Ų141.1 Ų41.11%0.00521%0.212CC..Hα-helixtrans-71.3-26.3179.6-68.3165.9000112.6A1199 I1202 I1203 G1251 I1256 I1260 L1300 K1301 K1317A1199-L1304 HydrophobicContact CB-CD2 4.24Å; I1202-L1304 HydrophobicContact CG2-CD1 4.38Å; I1202-L1304 HydrophobicContact CG2-CD2 4.17Å; I1203-L1304 HydrophobicContact CD1-CD2 4.09Å; I1203-L1304 HydrophobicContact CG1-CD2 3.92Å; G1251-L1304 WeakPolarHBondContact CA-O 3.5Å; I1256-L1304 HydrophobicContact CG2-CB 4.26Å; I1256-L1304 HydrophobicContact CG2-CD1 3.68Å; I1256-L1304 HydrophobicContact CG2-CD2 4.11Å; I1256-L1304 HydrophobicContact CG2-CG 4.24Å; I1260-L1304 HydrophobicContact CD1-CD1 4.16Å; I1260-L1304 HydrophobicContact CG1-CD1 4.45Å; L1300-L1304 HydrophobicContact CD1-CD1 4.35Å; L1300-L1304 HydrophobicContact CG-CD1 3.9Å; L1300-L1304 WeakPolarHBondContact O-CB 3.24Å; L1300-L1304 WeakPolarHBondContact O-CD1 3.5Å; L1300-L1304 VanDerWaalsContact O-CG 3.24Å; L1300-L1304 WeakPolarHBondContact O-CG 3.46Å; L1300-L1304 PolarHBondContact O-N 3.34Å; K1301-L1304 PolarHBondContact O-N 2.85Å; L1304-K1317 VanDerWaalsContact O-CE 3.23Å; L1304-K1317 WeakPolarHBondContact O-CE 3.46Å; L1304-K1317 PolarHBondContact O-NZ 2.84Å
1305N73Confident71.6Confident54 Ų5441.8 Ų41.829%0.28922%0.218SC..Hα-helixtrans-88.3-4.8-179.4-79.3-30000114.6D1250 G1251 K1301 S1302 L1303 N1307D1250-N1305 PolarHBondContact OD1-ND2 3.05Å; D1250-N1305 VanDerWaalsContact OD1-ND2 3.13Å; G1251-N1305 PolarHBondContact N-OD1 3.48Å; K1301-N1305 VanDerWaalsContact O-CB 3.28Å; K1301-N1305 WeakPolarHBondContact O-CB 3.29Å; K1301-N1305 PolarHBondContact O-N 3.35Å; K1301-N1305 PolarHBondContact O-ND2 3.28Å; S1302-N1305 PolarHBondContact O-N 2.87Å; L1303-N1305 VanDerWaalsContact C-N 3.33Å; L1303-N1305 PolarHBondContact O-N 2.88Å; N1305-N1307 PolarHBondContact O-N 3.34Å; N1305-N1307 PolarHBondContact O-OD1 3.45Å
1306V68.4Low71Confident20 Ų2041.9 Ų41.912%0.12122%0.219CC..  trans-62.3119.9176.5-174.50000109.9I1130 S1302 E1309 N1314 K1317I1130-V1306 HydrophobicContact CG2-CG2 4.45Å; S1302-V1306 VanDerWaalsContact O-CG2 3.23Å; S1302-V1306 WeakPolarHBondContact O-CG2 3.39Å; S1302-V1306 PolarHBondContact O-N 2.97Å; V1306-E1309 HydrophobicContact CG1-CB 3.94Å; V1306-N1314 PolarHBondContact O-OD1 3.21Å; V1306-K1317 PolarHBondContact O-NZ 2.87Å
1307N60.1Low70.4Confident69 Ų6942.4 Ų42.437%0.36922%0.221SC..  trans-108.5-20.2-177.6-69.3-32.3000114.3Q1252 N1305 N1314Q1252-N1307 VanDerWaalsContact NE2-CG 3.31Å; Q1252-N1307 PolarHBondContact NE2-ND2 3.4Å; Q1252-N1307 VanDerWaalsContact NE2-ND2 3.12Å; Q1252-N1307 PolarHBondContact NE2-OD1 3.37Å; Q1252-N1307 VanDerWaalsContact NE2-OD1 3.09Å; N1305-N1307 PolarHBondContact O-N 3.34Å; N1305-N1307 PolarHBondContact O-OD1 3.45Å; N1307-N1314 PolarHBondContact O-ND2 3Å; N1307-N1314 PolarHBondContact O-OD1 2.87Å
1308D54.7Low69.8Low150 Ų15049.3 Ų49.380%0.80225%0.251SS*.SBendtrans-125.2-25.6-172.4-66.2-42.1000114.6
1309E49.9Very low69.4Low80 Ų8054.1 Ų54.137%0.37427%0.268SS..SBendtrans-97.1-25.6-163.3-61.8-174165.700115.2K1131 H1134 V1306K1131-E1309 WeakPolarHBondContact CE-OE1 3.49Å; K1131-E1309 VanDerWaalsContact CG-OE2 3.32Å; K1131-E1309 WeakPolarHBondContact CG-OE2 3.47Å; H1134-E1309 PolarHBondContact CE1-O 2.8Å; H1134-E1309 VanDerWaalsContact CE1-O 3.3Å; V1306-E1309 HydrophobicContact CG1-CB 3.94Å
1310S57.1Low69Low20 Ų2054.5 Ų54.514%0.1427%0.27CS..  trans-107.197.8176.551.90000110.9E1312 I1313 N1314S1310-E1312 PolarHBondContact O-N 2.93Å; S1310-E1312 VanDerWaalsContact O-N 3.09Å; S1310-I1313 PolarHBondContact O-N 2.99Å; S1310-I1313 WeakPolarHBondContact OG-CB 3.38Å; S1310-I1313 WeakPolarHBondContact OG-CD1 3.29Å; S1310-I1313 WeakPolarHBondContact OG-CG1 3.35Å; S1310-N1314 WeakPolarHBondContact O-CB 3.33Å; S1310-N1314 PolarHBondContact O-N 3.29Å; S1310-N1314 VanDerWaalsContact O-N 3.09Å
1311E61.8Low68.5Low175 Ų17558.8 Ų58.882%0.81829%0.287SS*.Hα-helixtrans-50.2-36.1176.1-78.5-165.1157.800111.5A1315E1311-A1315 WeakPolarHBondContact O-CB 3.4Å; E1311-A1315 PolarHBondContact O-N 3.14Å
1312E67Low68.1Low133 Ų13360.3 Ų60.362%0.62130%0.301SS*.Hα-helixtrans-74.5-47-176.8-60.4-170.2158.700114.5Y1200 S1310 N1314 A1315 C1316Y1200-E1312 WeakPolarHBondContact OH-CB 3.4Å; Y1200-E1312 PolarHBondContact OH-OE2 3.16Å; S1310-E1312 PolarHBondContact O-N 2.93Å; S1310-E1312 VanDerWaalsContact O-N 3.09Å; E1312-N1314 VanDerWaalsContact C-N 3.32Å; E1312-N1314 PolarHBondContact O-N 3.11Å; E1312-A1315 PolarHBondContact O-N 2.99Å; E1312-C1316 WeakPolarHBondContact O-CB 2.93Å; E1312-C1316 PolarHBondContact O-N 2.88Å
1313I66.9Low68Low0 Ų062.4 Ų62.40%031%0.306CS..Hα-helixtrans-62.8-44.6176.4-61.4-175.2000109F1196 Y1200 I1203 S1310 C1316 K1317F1196-I1313 HydrophobicContact CD1-CD1 3.88Å; F1196-I1313 HydrophobicContact CE1-CD1 3.93Å; Y1200-I1313 HydrophobicContact CE1-CG1 4.13Å; I1203-I1313 HydrophobicContact CD1-CG2 3.51Å; S1310-I1313 PolarHBondContact O-N 2.99Å; S1310-I1313 WeakPolarHBondContact OG-CB 3.38Å; S1310-I1313 WeakPolarHBondContact OG-CD1 3.29Å; S1310-I1313 WeakPolarHBondContact OG-CG1 3.35Å; I1313-C1316 WeakPolarHBondContact O-CB 3.46Å; I1313-C1316 PolarHBondContact O-N 2.67Å; I1313-C1316 VanDerWaalsContact O-N 3.16Å; I1313-K1317 HydrophobicContact CG2-CD 4.28Å; I1313-K1317 HydrophobicContact CG2-CG 4.45Å; I1313-K1317 WeakPolarHBondContact O-CG 3.38Å; I1313-K1317 PolarHBondContact O-N 3.02Å
1314N68.2Low67.8Low28 Ų2862.7 Ų62.715%0.1531%0.307CS..Hα-helixtrans-63.4-42.8176.2-81.5-30.4000112.5V1306 N1307 S1310 E1312 C1316 K1317 K1318V1306-N1314 PolarHBondContact O-OD1 3.21Å; N1307-N1314 PolarHBondContact O-ND2 3Å; N1307-N1314 PolarHBondContact O-OD1 2.87Å; S1310-N1314 WeakPolarHBondContact O-CB 3.33Å; S1310-N1314 PolarHBondContact O-N 3.29Å; S1310-N1314 VanDerWaalsContact O-N 3.09Å; E1312-N1314 VanDerWaalsContact C-N 3.32Å; E1312-N1314 PolarHBondContact O-N 3.11Å; N1314-C1316 VanDerWaalsContact C-N 3.26Å; N1314-C1316 PolarHBondContact O-N 2.85Å; N1314-K1317 PolarHBondContact O-N 3.06Å; N1314-K1318 WeakPolarHBondContact O-CB 3.37Å; N1314-K1318 WeakPolarHBondContact O-CG 3.39Å; N1314-K1318 PolarHBondContact O-N 3.38Å
1315A69.1Low67.6Low39 Ų3965.2 Ų65.232%0.32233%0.328SS..Hα-helixtrans-62.8-34.9173.800000111.5E1311 E1312 R1319E1311-A1315 WeakPolarHBondContact O-CB 3.4Å; E1311-A1315 PolarHBondContact O-N 3.14Å; E1312-A1315 PolarHBondContact O-N 2.99Å; A1315-R1319 WeakPolarHBondContact O-CB 3.29Å; A1315-R1319 VanDerWaalsContact O-CG 3.31Å; A1315-R1319 WeakPolarHBondContact O-CG 3.36Å; A1315-R1319 PolarHBondContact O-N 2.64Å; A1315-R1319 PolarHBondContact O-NE 3.2Å
1316C69.7Low67.5Low3 Ų368.6 Ų68.62%0.0234%0.343CS..Hα-helixtrans-67.7-50.2174.8-164.90000110.9Y1200 I1203 E1312 I1313 N1314 K1318 R1319 V1320Y1200-C1316 HydrophobicContact CD1-CB 4.13Å; Y1200-C1316 HydrophobicContact CE1-CB 4.08Å; I1203-C1316 HydrophobicContact CG2-CB 4.33Å; E1312-C1316 WeakPolarHBondContact O-CB 2.93Å; E1312-C1316 PolarHBondContact O-N 2.88Å; I1313-C1316 WeakPolarHBondContact O-CB 3.46Å; I1313-C1316 PolarHBondContact O-N 2.67Å; I1313-C1316 VanDerWaalsContact O-N 3.16Å; N1314-C1316 VanDerWaalsContact C-N 3.26Å; N1314-C1316 PolarHBondContact O-N 2.85Å; C1316-K1318 VanDerWaalsContact C-N 3.33Å; C1316-K1318 PolarHBondContact O-N 2.75Å; C1316-R1319 PolarHBondContact O-N 3.26Å; C1316-V1320 WeakPolarHBondContact O-CG2 3.21Å; C1316-V1320 PolarHBondContact O-N 3.27Å
1317K71.7Confident67.4Low10 Ų1071.1 Ų71.14%0.04335%0.35CS..Hα-helixtrans-56.1-44.8174.3-72.1173.9179.7171.50111.8I1203 L1304 V1306 I1313 N1314 V1320 R1321I1203-K1317 HydrophobicContact CD1-CG 4.19Å; I1203-K1317 HydrophobicContact CG2-CG 4.12Å; L1304-K1317 VanDerWaalsContact O-CE 3.23Å; L1304-K1317 WeakPolarHBondContact O-CE 3.46Å; L1304-K1317 PolarHBondContact O-NZ 2.84Å; V1306-K1317 PolarHBondContact O-NZ 2.87Å; I1313-K1317 HydrophobicContact CG2-CD 4.28Å; I1313-K1317 HydrophobicContact CG2-CG 4.45Å; I1313-K1317 WeakPolarHBondContact O-CG 3.38Å; I1313-K1317 PolarHBondContact O-N 3.02Å; N1314-K1317 PolarHBondContact O-N 3.06Å; K1317-V1320 PolarHBondContact O-N 2.84Å; K1317-R1321 WeakPolarHBondContact O-CB 3.37Å; K1317-R1321 WeakPolarHBondContact O-CG 3.49Å; K1317-R1321 PolarHBondContact O-N 3.4Å
1318K73Confident67.7Low147 Ų14769.8 Ų69.864%0.63934%0.343SS*.Hα-helixtrans-63-44.1177-77.6-179.3-178.61770111.9N1314 C1316 R1321 S1322N1314-K1318 WeakPolarHBondContact O-CB 3.37Å; N1314-K1318 WeakPolarHBondContact O-CG 3.39Å; N1314-K1318 PolarHBondContact O-N 3.38Å; C1316-K1318 VanDerWaalsContact C-N 3.33Å; C1316-K1318 PolarHBondContact O-N 2.75Å; K1318-R1321 PolarHBondContact O-N 3Å; K1318-S1322 WeakPolarHBondContact O-CB 3.47Å; K1318-S1322 PolarHBondContact O-N 3.45Å; K1318-S1322 PolarHBondContact O-OG 3.01Å
1319R73.6Confident68Low142 Ų14268.3 Ų68.354%0.53634%0.335SS..Hα-helixtrans-62.9-42.5175.9-82.3-179-78.3159.1-10112.6A1315 C1316 S1322 F1323A1315-R1319 WeakPolarHBondContact O-CB 3.29Å; A1315-R1319 VanDerWaalsContact O-CG 3.31Å; A1315-R1319 WeakPolarHBondContact O-CG 3.36Å; A1315-R1319 PolarHBondContact O-N 2.64Å; A1315-R1319 PolarHBondContact O-NE 3.2Å; C1316-R1319 PolarHBondContact O-N 3.26Å; R1319-S1322 WeakPolarHBondContact CA-OG 3.41Å; R1319-S1322 PolarHBondContact O-N 3.29Å; R1319-S1322 PolarHBondContact O-OG 3.13Å; R1319-F1323 VanDerWaalsContact O-CB 3.29Å; R1319-F1323 WeakPolarHBondContact O-CB 3.26Å; R1319-F1323 PolarHBondContact O-N 3.34Å
1320V73Confident68.4Low12 Ų1270.5 Ų70.57%0.07335%0.349CS..Hα-helixtrans-64.1-46.5176.2170.70000110.1I1203 V1207 C1316 K1317 S1322 F1323 L1324I1203-V1320 HydrophobicContact CG2-CG2 4.16Å; V1207-V1320 HydrophobicContact CG2-CB 4.27Å; V1207-V1320 HydrophobicContact CG2-CG1 3.89Å; V1207-V1320 HydrophobicContact CG2-CG2 3.95Å; C1316-V1320 WeakPolarHBondContact O-CG2 3.21Å; C1316-V1320 PolarHBondContact O-N 3.27Å; K1317-V1320 PolarHBondContact O-N 2.84Å; V1320-S1322 PolarHBondContact O-N 3Å; V1320-F1323 PolarHBondContact O-N 3.28Å; V1320-L1324 HydrophobicContact CG1-CD1 3.84Å; V1320-L1324 HydrophobicContact CG1-CG 4.34Å; V1320-L1324 VanDerWaalsContact O-CB 3.29Å; V1320-L1324 WeakPolarHBondContact O-CB 3.39Å; V1320-L1324 VanDerWaalsContact O-CG 3.24Å; V1320-L1324 WeakPolarHBondContact O-CG 3.3Å; V1320-L1324 PolarHBondContact O-N 3.03Å
1321R71.3Confident68.1Low90 Ų9071.7 Ų71.734%0.3436%0.356SS..Hα-helixtrans-60.7-43.5175.6-76.6-179.9-178.5160.21.5112.9Q1252 K1317 K1318 L1324 A1325Q1252-R1321 PolarHBondContact O-NH2 2.92Å; K1317-R1321 WeakPolarHBondContact O-CB 3.37Å; K1317-R1321 WeakPolarHBondContact O-CG 3.49Å; K1317-R1321 PolarHBondContact O-N 3.4Å; K1318-R1321 PolarHBondContact O-N 3Å; R1321-L1324 PolarHBondContact O-N 3.2Å; R1321-A1325 VanDerWaalsContact O-CB 3.29Å; R1321-A1325 WeakPolarHBondContact O-CB 3.38Å; R1321-A1325 PolarHBondContact O-N 3.14Å
1322S73.2Confident67.3Low61 Ų6170 Ų7043%0.42735%0.352SS..Hα-helixtrans-65.1-44178.9620000111.5K1318 R1319 V1320 L1324 A1325 E1326K1318-S1322 WeakPolarHBondContact O-CB 3.47Å; K1318-S1322 PolarHBondContact O-N 3.45Å; K1318-S1322 PolarHBondContact O-OG 3.01Å; R1319-S1322 WeakPolarHBondContact CA-OG 3.41Å; R1319-S1322 PolarHBondContact O-N 3.29Å; R1319-S1322 PolarHBondContact O-OG 3.13Å; V1320-S1322 PolarHBondContact O-N 3Å; S1322-L1324 PolarHBondContact O-N 3.4Å; S1322-A1325 PolarHBondContact O-N 3.18Å; S1322-E1326 WeakPolarHBondContact O-CG 3.34Å; S1322-E1326 PolarHBondContact O-N 3.46Å
1323F75.3Confident65.7Low77 Ų7770.7 Ų70.734%0.33836%0.36SS..Hα-helixtrans-60.6-45176.7179.5-92.8000112V1207 R1319 V1320 E1326 R1327V1207-F1323 HydrophobicContact CB-CD1 4.42Å; V1207-F1323 HydrophobicContact CB-CE1 4.48Å; V1207-F1323 HydrophobicContact CG1-CD1 3.94Å; V1207-F1323 HydrophobicContact CG1-CE1 3.83Å; V1207-F1323 HydrophobicContact CG1-CG 4.38Å; V1207-F1323 HydrophobicContact CG1-CZ 4.19Å; V1207-F1323 HydrophobicContact CG2-CD1 3.82Å; V1207-F1323 HydrophobicContact CG2-CE1 4.32Å; V1207-F1323 HydrophobicContact CG2-CG 4.47Å; R1319-F1323 VanDerWaalsContact O-CB 3.29Å; R1319-F1323 WeakPolarHBondContact O-CB 3.26Å; R1319-F1323 PolarHBondContact O-N 3.34Å; V1320-F1323 PolarHBondContact O-N 3.28Å; F1323-E1326 PolarHBondContact O-N 3.3Å; F1323-R1327 PolarHBondContact O-N 2.83Å
1324L70.7Confident64.5Low5 Ų574.9 Ų74.93%0.02639%0.389CS..Hα-helixtrans-66.1-37.9177.7-76.2-178000112.4P1206 Q1215 T1219 H1253 V1320 R1321 S1322 R1327 N1328P1206-L1324 HydrophobicContact CB-CD1 4.17Å; P1206-L1324 HydrophobicContact CB-CD2 4.49Å; Q1215-L1324 HydrophobicContact CB-CD2 4.26Å; Q1215-L1324 HydrophobicContact CG-CD2 4.48Å; T1219-L1324 HydrophobicContact CG2-CB 3.48Å; T1219-L1324 VanDerWaalsContact CG2-CB 3.48Å; T1219-L1324 HydrophobicContact CG2-CD1 4.11Å; T1219-L1324 HydrophobicContact CG2-CD2 3.66Å; T1219-L1324 HydrophobicContact CG2-CG 3.91Å; H1253-L1324 WeakPolarHBondContact NE2-CD1 3.47Å; V1320-L1324 HydrophobicContact CG1-CD1 3.84Å; V1320-L1324 HydrophobicContact CG1-CG 4.34Å; V1320-L1324 VanDerWaalsContact O-CB 3.29Å; V1320-L1324 WeakPolarHBondContact O-CB 3.39Å; V1320-L1324 VanDerWaalsContact O-CG 3.24Å; V1320-L1324 WeakPolarHBondContact O-CG 3.3Å; V1320-L1324 PolarHBondContact O-N 3.03Å; R1321-L1324 PolarHBondContact O-N 3.2Å; S1322-L1324 PolarHBondContact O-N 3.4Å; L1324-R1327 PolarHBondContact O-N 3.15Å; L1324-N1328 PolarHBondContact O-N 3.47Å
1325A72Confident62.6Low54 Ų5482.4 Ų82.445%0.44642%0.424SS..Hα-helixtrans-68.8-39.2176.400000112.8R1321 S1322 R1327 N1328 N1329R1321-A1325 VanDerWaalsContact O-CB 3.29Å; R1321-A1325 WeakPolarHBondContact O-CB 3.38Å; R1321-A1325 PolarHBondContact O-N 3.14Å; S1322-A1325 PolarHBondContact O-N 3.18Å; A1325-R1327 VanDerWaalsContact C-N 3.31Å; A1325-R1327 PolarHBondContact O-N 3.04Å; A1325-N1328 PolarHBondContact O-N 3.33Å; A1325-N1329 PolarHBondContact O-ND2 3.47Å
1326E71.9Confident60.9Low126 Ų12685.6 Ų85.659%0.58944%0.444SS*.Hα-helixtrans-59.2-44.5173.1-78.6173.4-178.900110.9S1322 F1323 N1328 N1329S1322-E1326 WeakPolarHBondContact O-CG 3.34Å; S1322-E1326 PolarHBondContact O-N 3.46Å; F1323-E1326 PolarHBondContact O-N 3.3Å; E1326-N1328 VanDerWaalsContact C-N 3.3Å; E1326-N1328 PolarHBondContact O-N 2.79Å; E1326-N1329 WeakPolarHBondContact O-CB 3.44Å; E1326-N1329 PolarHBondContact O-N 3.33Å
1327R65.9Low59Low73 Ų7393.6 Ų93.628%0.27548%0.479SS..Hα-helixtrans-64.4-29.7-178.3-161170.9-173.5107.826.7114.2Q1215 F1323 L1324 A1325 N1329Q1215-R1327 VanDerWaalsContact OE1-CZ 3.25Å; F1323-R1327 PolarHBondContact O-N 2.83Å; L1324-R1327 PolarHBondContact O-N 3.15Å; A1325-R1327 VanDerWaalsContact C-N 3.31Å; A1325-R1327 PolarHBondContact O-N 3.04Å; R1327-N1329 PolarHBondContact O-N 3.23Å
1328N64.8Low57.2Low40 Ų40100.4 Ų100.421%0.21451%0.514CS..Hα-helixtrans-66.8-25174.2-86.3-4.1000112.7T1219 L1324 A1325 E1326T1219-N1328 PolarHBondContact OG1-ND2 3.29Å; T1219-N1328 PolarHBondContact OG1-OD1 3.16Å; L1324-N1328 PolarHBondContact O-N 3.47Å; A1325-N1328 PolarHBondContact O-N 3.33Å; E1326-N1328 VanDerWaalsContact C-N 3.3Å; E1326-N1328 PolarHBondContact O-N 2.79Å
1329N62.9Low55.5Low120 Ų12097.4 Ų97.464%0.64250%0.502SS*.Hα-helixtrans-81.1-29.1-179.4-63.3-34.8000112.7A1325 E1326 R1327 V1331A1325-N1329 PolarHBondContact O-ND2 3.47Å; E1326-N1329 WeakPolarHBondContact O-CB 3.44Å; E1326-N1329 PolarHBondContact O-N 3.33Å; R1327-N1329 PolarHBondContact O-N 3.23Å; N1329-V1331 VanDerWaalsContact C-N 3.29Å; N1329-V1331 PolarHBondContact O-N 3.36Å
1330D56.4Low53.7Low125 Ų12592.9 Ų92.967%0.66850%0.499SS*.Hα-helixtrans-71.8-18.1-177.4-71.8-20.3000113.9N1332D1330-N1332 VanDerWaalsContact C-N 3.28Å; D1330-N1332 PolarHBondContact O-N 3.48Å
1331V51.8Low52.4Low46 Ų4696.3 Ų96.328%0.27952%0.517SS..G310 helixtrans-75.1-13.3-171.1178.60000113.4D1012 N1329 D1333D1012-V1331 HydrophobicContact CB-CG1 3.63Å; N1329-V1331 VanDerWaalsContact C-N 3.29Å; N1329-V1331 PolarHBondContact O-N 3.36Å; V1331-D1333 PolarHBondContact O-N 3.44Å
1332N44Very low51.2Low138 Ų13897 Ų9774%0.73854%0.536SS*.G310 helixtrans-83.1-7.1-173.8-73.8-26.2000115.4D1330D1330-N1332 VanDerWaalsContact C-N 3.28Å; D1330-N1332 PolarHBondContact O-N 3.48Å
1333D35.3Very low50.5Low148 Ų14895.8 Ų95.879%0.79153%0.528SS*.G310 helixtrans-102.831.9-172.9-73.5-15.2000114.4V1331 E1335V1331-D1333 PolarHBondContact O-N 3.44Å; D1333-E1335 PolarHBondContact O-N 3.4Å
1334S40.4Very low49.9Very low89 Ų8995.2 Ų95.262%0.62252%0.523SS*.  trans-77.189.6171.269.50000110.6S1336S1334-S1336 PolarHBondContact O-N 2.77Å
1335E28.4Very low49.5Very low185 Ų18598 Ų9886%0.86454%0.537SS*.  trans-56.1127.5169.1-81-170.7156.500110.7D1333 F1337D1333-E1335 PolarHBondContact O-N 3.4Å; E1335-F1337 PolarHBondContact O-N 2.93Å
1336S33.6Very low49Very low107 Ų107100.8 Ų100.875%0.74854%0.539SS*.  trans-72.690.4177.8600000110.5S1334S1334-S1336 PolarHBondContact O-N 2.77Å
1337F29.5Very low48.8Very low171 Ų17197 Ų9775%0.7552%0.521SS*.  trans-76.6126.2175.1-162.3-84.4000110.9E1335 Q1339E1335-F1337 PolarHBondContact O-N 2.93Å; F1337-Q1339 HydrophobicContact CD1-CG 3.79Å; F1337-Q1339 HydrophobicContact CE1-CG 3.88Å
1338I33.2Very low49.1Very low153 Ų15393.7 Ų93.779%0.78551%0.509SS*.  trans-90.1107.9178.2-57.6173.2000108.1
1339Q38.2Very low49.1Very low84 Ų8492 Ų9239%0.39350%0.5SS..  trans-98.5145.6-175.4-106.6175.8-23.500113.2F1337 S1343F1337-Q1339 HydrophobicContact CD1-CG 3.79Å; F1337-Q1339 HydrophobicContact CE1-CG 3.88Å; Q1339-S1343 WeakPolarHBondContact CB-OG 3.36Å; Q1339-S1343 WeakPolarHBondContact CG-OG 3.31Å
1340G35.7Very low49.3Very low46 Ų4690.1 Ų90.147%0.47449%0.487SS..  trans-80.2152.2168.300000112.9S1342 S1343 R1344G1340-S1342 PolarHBondContact O-N 2.74Å; G1340-S1343 WeakPolarHBondContact O-CB 3.32Å; G1340-S1343 PolarHBondContact O-N 3.02Å; G1340-S1343 PolarHBondContact O-OG 2.97Å; G1340-R1344 PolarHBondContact O-N 3.41Å
1341N45.1Very low50Low84 Ų8484.3 Ų84.345%0.44946%0.456SS..Hα-helixtrans-55.6-38.8-168.2-70.8-6.2000115.6S1343 R1344 I1345N1341-S1343 VanDerWaalsContact C-N 3.29Å; N1341-S1343 PolarHBondContact O-N 3.3Å; N1341-R1344 PolarHBondContact O-N 2.99Å; N1341-I1345 PolarHBondContact O-N 3.32Å
1342S47.3Very low50.9Low105 Ų10582.3 Ų82.373%0.73444%0.444SS*.Hα-helixtrans-65.5-32.6178.759.80000112.8G1340 R1344 F1346G1340-S1342 PolarHBondContact O-N 2.74Å; S1342-R1344 VanDerWaalsContact C-N 3.35Å; S1342-F1346 PolarHBondContact O-N 2.98Å
1343S58.5Low51.8Low36 Ų3681.8 Ų81.825%0.25243%0.432SS..Hα-helixtrans-71.6-30.2176.571.10000112.4Q1339 G1340 N1341 K1347Q1339-S1343 WeakPolarHBondContact CB-OG 3.36Å; Q1339-S1343 WeakPolarHBondContact CG-OG 3.31Å; G1340-S1343 WeakPolarHBondContact O-CB 3.32Å; G1340-S1343 PolarHBondContact O-N 3.02Å; G1340-S1343 PolarHBondContact O-OG 2.97Å; N1341-S1343 VanDerWaalsContact C-N 3.29Å; N1341-S1343 PolarHBondContact O-N 3.3Å; S1343-K1347 WeakPolarHBondContact O-CB 3.48Å; S1343-K1347 PolarHBondContact O-N 3.37Å
1344R62.3Low53.3Low64 Ų6479.5 Ų79.524%0.24242%0.415CS..Hα-helixtrans-71.2-42.9179.7-172.6176.3177-172.9-6.6112.2E938 G1340 N1341 S1342 K1347 N1348E938-R1344 IonicContact OE2-NH1 3.79Å; E938-R1344 PolarHBondContact OE2-NH1 3.38Å; G1340-R1344 PolarHBondContact O-N 3.41Å; N1341-R1344 PolarHBondContact O-N 2.99Å; S1342-R1344 VanDerWaalsContact C-N 3.35Å; R1344-K1347 PolarHBondContact O-N 3.31Å; R1344-N1348 WeakPolarHBondContact O-CB 3.4Å; R1344-N1348 VanDerWaalsContact O-CG 3.23Å; R1344-N1348 PolarHBondContact O-N 3.27Å
1345I62.8Low54.6Low64 Ų6475.3 Ų75.333%0.32839%0.385SS..Hα-helixtrans-62.7-50176.5-65.8173.7000109.9N1341 K1347 N1348 I1349N1341-I1345 PolarHBondContact O-N 3.32Å; I1345-K1347 VanDerWaalsContact C-N 3.27Å; I1345-K1347 PolarHBondContact O-N 3.05Å; I1345-N1348 PolarHBondContact O-N 3.08Å; I1345-I1349 HydrophobicContact CG2-CD1 3.61Å; I1345-I1349 HydrophobicContact CG2-CG1 4.48Å; I1345-I1349 WeakPolarHBondContact O-CB 3.46Å; I1345-I1349 WeakPolarHBondContact O-CD1 3.48Å; I1345-I1349 VanDerWaalsContact O-CG1 3.24Å; I1345-I1349 WeakPolarHBondContact O-CG1 3.32Å; I1345-I1349 PolarHBondContact O-N 2.72Å
1346F61.8Low56.3Low112 Ų11267.8 Ų67.849%0.49135%0.35SS..Hα-helixtrans-56.5-42.2176.7-179.8-100.4000112.3S1342 I1349 Q1350S1342-F1346 PolarHBondContact O-N 2.98Å; F1346-I1349 WeakPolarHBondContact O-CB 3.48Å; F1346-I1349 PolarHBondContact O-N 2.55Å; F1346-Q1350 HydrophobicContact CE1-CG 4.2Å; F1346-Q1350 HydrophobicContact CZ-CG 4.41Å; F1346-Q1350 WeakPolarHBondContact O-CG 3.42Å; F1346-Q1350 PolarHBondContact O-N 3.35Å
1347K67.6Low57.6Low47 Ų4769.4 Ų69.420%0.20435%0.346CS..Hα-helixtrans-65-47.1176.4-174.9-179-172.9-1700112.7E1009 S1343 R1344 I1345 I1349 Q1350 N1351E1009-K1347 WeakPolarHBondContact OE1-CE 3.41Å; E1009-K1347 IonicContact OE1-NZ 2.69Å; E1009-K1347 PolarHBondContact OE1-NZ 2.99Å; E1009-K1347 WeakPolarHBondContact OE2-CE 3.05Å; E1009-K1347 IonicContact OE2-NZ 2.82Å; E1009-K1347 PolarHBondContact OE2-NZ 3.34Å; S1343-K1347 WeakPolarHBondContact O-CB 3.48Å; S1343-K1347 PolarHBondContact O-N 3.37Å; R1344-K1347 PolarHBondContact O-N 3.31Å; I1345-K1347 VanDerWaalsContact C-N 3.27Å; I1345-K1347 PolarHBondContact O-N 3.05Å; K1347-I1349 PolarHBondContact O-N 3.08Å; K1347-Q1350 WeakPolarHBondContact O-CB 3.15Å; K1347-Q1350 PolarHBondContact O-N 2.68Å; K1347-N1351 PolarHBondContact O-N 3.08Å
1348N71.4Confident59.3Low3 Ų368 Ų682%0.01634%0.339CS..Hα-helixtrans-59.9-34.5175.8-73.2-12.5000111.7V955 I958 R1344 I1345 N1351 L1352V955-N1348 HydrophobicContact CG1-CB 4.1Å; I958-N1348 HydrophobicContact CG2-CB 4.41Å; R1344-N1348 WeakPolarHBondContact O-CB 3.4Å; R1344-N1348 VanDerWaalsContact O-CG 3.23Å; R1344-N1348 PolarHBondContact O-N 3.27Å; I1345-N1348 PolarHBondContact O-N 3.08Å; N1348-N1351 PolarHBondContact O-N 3.4Å; N1348-L1352 WeakPolarHBondContact O-CB 3.33Å; N1348-L1352 PolarHBondContact O-N 2.79Å
1349I64.8Low61.2Low5 Ų561 Ų613%0.02630%0.304CS..Hα-helixtrans-69-39174.8-71.6161.6000111.8H458 L461 V955 I1345 F1346 K1347 N1351 L1352 R1353H458-I1349 HydrophobicContact CB-CG2 4.25Å; L461-I1349 HydrophobicContact CD1-CG2 3.8Å; L461-I1349 HydrophobicContact CD2-CG2 3.98Å; L461-I1349 HydrophobicContact CG-CG2 4.44Å; V955-I1349 HydrophobicContact CG1-CG1 4.24Å; V955-I1349 HydrophobicContact CG2-CG1 4.01Å; I1345-I1349 HydrophobicContact CG2-CD1 3.61Å; I1345-I1349 HydrophobicContact CG2-CG1 4.48Å; I1345-I1349 WeakPolarHBondContact O-CB 3.46Å; I1345-I1349 WeakPolarHBondContact O-CD1 3.48Å; I1345-I1349 VanDerWaalsContact O-CG1 3.24Å; I1345-I1349 WeakPolarHBondContact O-CG1 3.32Å; I1345-I1349 PolarHBondContact O-N 2.72Å; F1346-I1349 WeakPolarHBondContact O-CB 3.48Å; F1346-I1349 PolarHBondContact O-N 2.55Å; K1347-I1349 PolarHBondContact O-N 3.08Å; I1349-N1351 VanDerWaalsContact C-N 3.35Å; I1349-L1352 WeakPolarHBondContact O-CB 2.91Å; I1349-L1352 PolarHBondContact O-N 2.87Å; I1349-R1353 PolarHBondContact O-N 3.36Å
1350Q66.5Low62.5Low80 Ų8059.2 Ų59.237%0.37430%0.297SS..Hα-helixtrans-64.1-42.6171.2-70.9-175.7-29.800111.2F1346 K1347 L1352 R1353 F1354F1346-Q1350 HydrophobicContact CE1-CG 4.2Å; F1346-Q1350 HydrophobicContact CZ-CG 4.41Å; F1346-Q1350 WeakPolarHBondContact O-CG 3.42Å; F1346-Q1350 PolarHBondContact O-N 3.35Å; K1347-Q1350 WeakPolarHBondContact O-CB 3.15Å; K1347-Q1350 PolarHBondContact O-N 2.68Å; Q1350-L1352 VanDerWaalsContact C-N 3.28Å; Q1350-L1352 PolarHBondContact O-N 2.92Å; Q1350-R1353 VanDerWaalsContact O-CB 3.3Å; Q1350-R1353 WeakPolarHBondContact O-CB 3.32Å; Q1350-R1353 PolarHBondContact O-N 2.68Å; Q1350-R1353 VanDerWaalsContact O-N 3.12Å; Q1350-F1354 WeakPolarHBondContact O-CD2 3.36Å
1351N71.5Confident64.1Low3 Ų362.9 Ų62.92%0.01631%0.305CS..Hα-helixtrans-61.6-37.3175.5-72.5-15.7000111.9I958 I1007 E1009 K1347 N1348 I1349 R1353 F1354 V1355I958-N1351 HydrophobicContact CG2-CB 4.39Å; I1007-N1351 HydrophobicContact CD1-CB 4.17Å; I1007-N1351 HydrophobicContact CG1-CB 4.14Å; I1007-N1351 HydrophobicContact CG2-CB 4.24Å; E1009-N1351 PolarHBondContact OE2-ND2 2.84Å; K1347-N1351 PolarHBondContact O-N 3.08Å; N1348-N1351 PolarHBondContact O-N 3.4Å; I1349-N1351 VanDerWaalsContact C-N 3.35Å; N1351-R1353 PolarHBondContact O-N 3.34Å; N1351-F1354 PolarHBondContact O-N 2.9Å; N1351-V1355 WeakPolarHBondContact O-CG2 3.37Å; N1351-V1355 PolarHBondContact O-N 2.94Å
1352L70Confident65.6Low4 Ų459.1 Ų59.12%0.02129%0.285CS..Hα-helixtrans-57.8-34.9174.7-177.660.3000112.6P954 V955 I958 N1348 I1349 Q1350 F1354 V1355 Q1356 L1363P954-L1352 HydrophobicContact CB-CD1 3.74Å; P954-L1352 HydrophobicContact CB-CD2 4.31Å; P954-L1352 HydrophobicContact CG-CD1 4.25Å; P954-L1352 HydrophobicContact CG-CD2 3.97Å; V955-L1352 HydrophobicContact CG2-CD2 3.87Å; I958-L1352 VanDerWaalsContact CD1-CA 3.49Å; I958-L1352 HydrophobicContact CD1-CB 3.68Å; I958-L1352 HydrophobicContact CD1-CD1 3.54Å; I958-L1352 HydrophobicContact CD1-CG 4.2Å; N1348-L1352 WeakPolarHBondContact O-CB 3.33Å; N1348-L1352 PolarHBondContact O-N 2.79Å; I1349-L1352 WeakPolarHBondContact O-CB 2.91Å; I1349-L1352 PolarHBondContact O-N 2.87Å; Q1350-L1352 VanDerWaalsContact C-N 3.28Å; Q1350-L1352 PolarHBondContact O-N 2.92Å; L1352-F1354 PolarHBondContact O-N 3Å; L1352-V1355 PolarHBondContact O-N 3.01Å; L1352-Q1356 HydrophobicContact CD1-CG 3.81Å; L1352-Q1356 HydrophobicContact CG-CG 3.98Å; L1352-Q1356 WeakPolarHBondContact O-CB 3.4Å; L1352-Q1356 VanDerWaalsContact O-CG 3.24Å; L1352-Q1356 WeakPolarHBondContact O-CG 2.91Å; L1352-Q1356 PolarHBondContact O-N 3.13Å; L1352-L1363 HydrophobicContact CD1-CD1 3.69Å
1353R63.3Low66.9Low128 Ų12854.1 Ų54.148%0.48325%0.25SC..Hα-helixtrans-57.8-47.7176.3-62.1177.7-172.5-145.3-16.7111.7L461 I1349 Q1350 N1351 V1355 Q1356 H1357L461-R1353 HydrophobicContact CD2-CG 3.18Å; L461-R1353 HydrophobicContact CG-CG 4.5Å; I1349-R1353 PolarHBondContact O-N 3.36Å; Q1350-R1353 VanDerWaalsContact O-CB 3.3Å; Q1350-R1353 WeakPolarHBondContact O-CB 3.32Å; Q1350-R1353 PolarHBondContact O-N 2.68Å; Q1350-R1353 VanDerWaalsContact O-N 3.12Å; N1351-R1353 PolarHBondContact O-N 3.34Å; R1353-V1355 VanDerWaalsContact C-N 3.34Å; R1353-Q1356 PolarHBondContact O-N 3.35Å; R1353-H1357 PolarHBondContact O-N 3.03Å
1354F66.6Low67.4Low100 Ų10053.6 Ų53.644%0.43924%0.243SC..Hα-helixtrans-67.2-38.5-178.8-60.9-70.6000111.7A1006 P1008 Q1350 N1351 L1352A1006-F1354 VanDerWaalsContact O-CB 3.29Å; A1006-F1354 WeakPolarHBondContact O-CB 3.4Å; P1008-F1354 HydrophobicContact CG-CD2 4.23Å; P1008-F1354 HydrophobicContact CG-CE1 4.44Å; P1008-F1354 HydrophobicContact CG-CE2 4.12Å; P1008-F1354 HydrophobicContact CG-CG 4.45Å; P1008-F1354 HydrophobicContact CG-CZ 4.22Å; Q1350-F1354 WeakPolarHBondContact O-CD2 3.36Å; N1351-F1354 PolarHBondContact O-N 2.9Å; L1352-F1354 PolarHBondContact O-N 3Å
1355V68.2Low68.2Low0 Ų052.1 Ų52.10%024%0.238CC..Hα-helixtrans-70.2-41.6178.4-179.20000111.4I958 I1003 A1006 I1007 N1351 L1352 R1353 H1357 K1358 A1359 L1363I958-V1355 HydrophobicContact CD1-CB 4.42Å; I958-V1355 HydrophobicContact CD1-CG2 4.18Å; I1003-V1355 HydrophobicContact CB-CG1 4.29Å; I1003-V1355 HydrophobicContact CG1-CG1 3.95Å; I1003-V1355 HydrophobicContact CG2-CG1 3.99Å; I1003-V1355 HydrophobicContact CG2-CG2 4.1Å; A1006-V1355 HydrophobicContact CB-CG2 4.18Å; I1007-V1355 HydrophobicContact CD1-CG2 4.24Å; I1007-V1355 HydrophobicContact CG1-CG2 3.88Å; N1351-V1355 WeakPolarHBondContact O-CG2 3.37Å; N1351-V1355 PolarHBondContact O-N 2.94Å; L1352-V1355 PolarHBondContact O-N 3.01Å; R1353-V1355 VanDerWaalsContact C-N 3.34Å; V1355-H1357 VanDerWaalsContact C-N 3.29Å; V1355-H1357 PolarHBondContact O-N 2.81Å; V1355-K1358 PolarHBondContact O-N 3.27Å; V1355-K1358 VanDerWaalsContact O-N 3.12Å; V1355-A1359 HydrophobicContact CG1-CB 4.09Å; V1355-A1359 CarbonylContact O-C 3.6Å; V1355-A1359 WeakPolarHBondContact O-CA 3.22Å; V1355-A1359 PolarHBondContact O-N 3.04Å; V1355-L1363 HydrophobicContact CB-CD1 4.48Å; V1355-L1363 HydrophobicContact CG1-CD1 3.65Å; V1355-L1363 HydrophobicContact CG1-CD2 4.09Å; V1355-L1363 HydrophobicContact CG1-CG 3.77Å
1356Q64.6Low69.2Low27 Ų2749 Ų4913%0.12622%0.223CC..Hα-helixtrans-59.4-39.8-179.8-79.1175.3-30.600112.3L1352 R1353 K1358 L1360L1352-Q1356 HydrophobicContact CD1-CG 3.81Å; L1352-Q1356 HydrophobicContact CG-CG 3.98Å; L1352-Q1356 WeakPolarHBondContact O-CB 3.4Å; L1352-Q1356 VanDerWaalsContact O-CG 3.24Å; L1352-Q1356 WeakPolarHBondContact O-CG 2.91Å; L1352-Q1356 PolarHBondContact O-N 3.13Å; R1353-Q1356 PolarHBondContact O-N 3.35Å; Q1356-K1358 VanDerWaalsContact C-N 3.32Å; Q1356-K1358 PolarHBondContact O-N 3.2Å; Q1356-L1360 HydrophobicContact CG-CD1 4.34Å
1357H60.6Low70.1Confident142 Ų14243.9 Ų43.966%0.65720%0.2SC*.Hα-helixtrans-67.8-30.3178.4-170.2-59000113R1353 V1355R1353-H1357 PolarHBondContact O-N 3.03Å; V1355-H1357 VanDerWaalsContact C-N 3.29Å; V1355-H1357 PolarHBondContact O-N 2.81Å
1358K66.2Low70.5Confident142 Ų14244.6 Ų44.662%0.61720%0.203SC*.Hα-helixtrans-110.2-25.9-170.6-67.4-175.1176.9-178.30115.1A1006 V1355 Q1356A1006-K1358 HydrophobicContact CB-CB 4.27Å; A1006-K1358 HydrophobicContact CB-CD 4.06Å; V1355-K1358 PolarHBondContact O-N 3.27Å; V1355-K1358 VanDerWaalsContact O-N 3.12Å; Q1356-K1358 VanDerWaalsContact C-N 3.32Å; Q1356-K1358 PolarHBondContact O-N 3.2Å
1359A72Confident71.1Confident4 Ų444.4 Ų44.43%0.03320%0.202CC..Hα-helixtrans-151.632.1-160.900000113.3R1002 I1003 V1355 L1361 D1362 L1363R1002-A1359 HydrophobicContact CB-CB 4.08Å; I1003-A1359 HydrophobicContact CG1-CB 4.17Å; V1355-A1359 HydrophobicContact CG1-CB 4.09Å; V1355-A1359 CarbonylContact O-C 3.6Å; V1355-A1359 WeakPolarHBondContact O-CA 3.22Å; V1355-A1359 PolarHBondContact O-N 3.04Å; A1359-L1361 PolarHBondContact O-N 3.42Å; A1359-D1362 HydrophobicContact CB-CB 4.12Å; A1359-D1362 WeakPolarHBondContact O-CB 3.34Å; A1359-D1362 PolarHBondContact O-N 3.36Å; A1359-D1362 VanDerWaalsContact O-N 3.15Å; A1359-L1363 PolarHBondContact O-N 2.9Å; A1359-L1363 VanDerWaalsContact O-N 3.17Å
1360L66.5Low71.9Confident48 Ų4844.3 Ų44.325%0.25120%0.202SC..Hα-helixtrans-60-43.2179.3-179.764.7000113.1Q1356 D1362 L1363 F1364Q1356-L1360 HydrophobicContact CG-CD1 4.34Å; L1360-D1362 PolarHBondContact O-N 3.09Å; L1360-L1363 WeakPolarHBondContact O-CB 3.24Å; L1360-L1363 PolarHBondContact O-N 2.83Å; L1360-L1363 VanDerWaalsContact O-N 3.16Å; L1360-F1364 HydrophobicContact CD1-CE2 4.11Å; L1360-F1364 HydrophobicContact CD1-CZ 4.26Å; L1360-F1364 HydrophobicContact CD2-CE2 4.2Å; L1360-F1364 HydrophobicContact CG-CD2 4.36Å; L1360-F1364 HydrophobicContact CG-CE2 3.78Å; L1360-F1364 HydrophobicContact CG-CZ 4.38Å; L1360-F1364 WeakPolarHBondContact O-CD2 3.37Å; L1360-F1364 PolarHBondContact O-N 2.76Å
1361L67.6Low72.5Confident122 Ų12241.4 Ų41.464%0.63919%0.188SC*.Hα-helixtrans-61.7-33176.8-68.5173.3000112A1359 F1364 F1365A1359-L1361 PolarHBondContact O-N 3.42Å; L1361-F1364 PolarHBondContact O-N 3.36Å; L1361-F1365 PolarHBondContact O-N 2.97Å; L1361-F1365 VanDerWaalsContact O-N 3.1Å
1362D77.7Confident72.8Confident5 Ų543.2 Ų43.23%0.02720%0.203CC..Hα-helixtrans-69-36.4176.8-65-54.9000111.4Q995 S999 R1002 I1003 A1359 L1360 F1364 F1365 M1366Q995-D1362 PolarHBondContact NE2-OD1 3.44Å; S999-D1362 WeakPolarHBondContact CA-OD1 3.5Å; S999-D1362 WeakPolarHBondContact CB-OD1 3.48Å; S999-D1362 PolarHBondContact OG-OD1 3.48Å; R1002-D1362 VanDerWaalsContact CD-OD2 3.28Å; R1002-D1362 WeakPolarHBondContact CD-OD2 3.44Å; R1002-D1362 IonicContact NH1-OD2 3.21Å; I1003-D1362 HydrophobicContact CD1-CB 4.04Å; I1003-D1362 HydrophobicContact CG1-CB 4.07Å; A1359-D1362 HydrophobicContact CB-CB 4.12Å; A1359-D1362 WeakPolarHBondContact O-CB 3.34Å; A1359-D1362 PolarHBondContact O-N 3.36Å; A1359-D1362 VanDerWaalsContact O-N 3.15Å; L1360-D1362 PolarHBondContact O-N 3.09Å; D1362-F1364 VanDerWaalsContact C-N 3.33Å; D1362-F1364 PolarHBondContact O-N 2.95Å; D1362-F1365 PolarHBondContact O-N 3.39Å; D1362-M1366 WeakPolarHBondContact O-CB 3.23Å; D1362-M1366 VanDerWaalsContact O-CG 3.26Å; D1362-M1366 WeakPolarHBondContact O-CG 3.08Å; D1362-M1366 PolarHBondContact O-N 3.17Å
1363L73.4Confident73.3Confident0 Ų043.2 Ų43.20%020%0.203CC..Hα-helixtrans-61.8-40.6173.6-74.8170.8000112.2F952 P954 I957 I958 I1003 L1352 V1355 A1359 L1360 M1366 H1367F952-L1363 HydrophobicContact CE2-CB 4.37Å; F952-L1363 HydrophobicContact CZ-CB 4.07Å; P954-L1363 HydrophobicContact CB-CD1 4.13Å; I957-L1363 HydrophobicContact CB-CD2 4.5Å; I957-L1363 HydrophobicContact CG2-CD2 4.01Å; I958-L1363 HydrophobicContact CG1-CD2 4.27Å; I1003-L1363 HydrophobicContact CD1-CD2 4Å; I1003-L1363 HydrophobicContact CD1-CG 4.35Å; I1003-L1363 HydrophobicContact CG1-CD2 4.42Å; L1352-L1363 HydrophobicContact CD1-CD1 3.69Å; V1355-L1363 HydrophobicContact CB-CD1 4.48Å; V1355-L1363 HydrophobicContact CG1-CD1 3.65Å; V1355-L1363 HydrophobicContact CG1-CD2 4.09Å; V1355-L1363 HydrophobicContact CG1-CG 3.77Å; A1359-L1363 PolarHBondContact O-N 2.9Å; A1359-L1363 VanDerWaalsContact O-N 3.17Å; L1360-L1363 WeakPolarHBondContact O-CB 3.24Å; L1360-L1363 PolarHBondContact O-N 2.83Å; L1360-L1363 VanDerWaalsContact O-N 3.16Å; L1363-M1366 PolarHBondContact O-N 3.13Å; L1363-H1367 PolarHBondContact O-N 2.85Å
1364F70.4Confident74.1Confident26 Ų2638.6 Ų38.611%0.11419%0.19CC..Hα-helixtrans-64.5-42.8176.2-72.2-46.2000112.3M422 M510 F952 L1360 L1361 D1362 H1367 K1368M422-F1364 HydrophobicContact CE-CB 3.48Å; M422-F1364 VanDerWaalsContact CE-CB 3.48Å; M422-F1364 HydrophobicContact CE-CD1 3.62Å; M422-F1364 HydrophobicContact CE-CG 3.82Å; M422-F1364 HydrophobicContact SD-CB 3.79Å; M422-F1364 HydrophobicContact SD-CG 4.26Å; M510-F1364 HydrophobicContact CE-CD1 3.38Å; M510-F1364 HydrophobicContact CE-CE1 3.17Å; M510-F1364 HydrophobicContact CE-CG 4.22Å; M510-F1364 HydrophobicContact CE-CZ 3.88Å; M510-F1364 HydrophobicContact SD-CD1 3.59Å; M510-F1364 VanDerWaalsContact SD-CD1 3.59Å; M510-F1364 HydrophobicContact SD-CE1 3.6Å; M510-F1364 VanDerWaalsContact SD-CE1 3.6Å; F952-F1364 HydrophobicContact CD1-CD1 4.29Å; F952-F1364 AromaticContact CD1-CE1 3.77Å; F952-F1364 HydrophobicContact CD1-CE1 3.77Å; F952-F1364 AromaticContact CD2-CD1 3.91Å; F952-F1364 HydrophobicContact CD2-CD1 3.91Å; F952-F1364 HydrophobicContact CD2-CE1 4.23Å; F952-F1364 AromaticContact CE1-CD1 3.9Å; F952-F1364 HydrophobicContact CE1-CD1 3.9Å; F952-F1364 AromaticContact CE1-CE1 3.41Å; F952-F1364 HydrophobicContact CE1-CE1 3.41Å; F952-F1364 VanDerWaalsContact CE1-CE1 3.41Å; F952-F1364 HydrophobicContact CE1-CZ 4.24Å; F952-F1364 AromaticContact CE2-CD1 3.5Å; F952-F1364 HydrophobicContact CE2-CD1 3.5Å; F952-F1364 AromaticContact CE2-CE1 3.93Å; F952-F1364 HydrophobicContact CE2-CE1 3.93Å; F952-F1364 HydrophobicContact CE2-CG 4.45Å; F952-F1364 HydrophobicContact CG-CD1 4.28Å; F952-F1364 HydrophobicContact CG-CE1 4.16Å; F952-F1364 AromaticContact CZ-CD1 3.48Å; F952-F1364 HydrophobicContact CZ-CD1 3.48Å; F952-F1364 VanDerWaalsContact CZ-CD1 3.48Å; F952-F1364 AromaticContact CZ-CE1 3.49Å; F952-F1364 HydrophobicContact CZ-CE1 3.49Å; F952-F1364 VanDerWaalsContact CZ-CE1 3.49Å; F952-F1364 HydrophobicContact CZ-CG 4.41Å; F952-F1364 HydrophobicContact CZ-CZ 4.41Å; L1360-F1364 HydrophobicContact CD1-CE2 4.11Å; L1360-F1364 HydrophobicContact CD1-CZ 4.26Å; L1360-F1364 HydrophobicContact CD2-CE2 4.2Å; L1360-F1364 HydrophobicContact CG-CD2 4.36Å; L1360-F1364 HydrophobicContact CG-CE2 3.78Å; L1360-F1364 HydrophobicContact CG-CZ 4.38Å; L1360-F1364 WeakPolarHBondContact O-CD2 3.37Å; L1360-F1364 PolarHBondContact O-N 2.76Å; L1361-F1364 PolarHBondContact O-N 3.36Å; D1362-F1364 VanDerWaalsContact C-N 3.33Å; D1362-F1364 PolarHBondContact O-N 2.95Å; F1364-H1367 PolarHBondContact O-N 2.87Å; F1364-K1368 PolarHBondContact O-N 2.07Å
1365F79.1Confident74.6Confident32 Ų3238.4 Ų38.414%0.1420%0.197CC..Hα-helixtrans-60.9-47.4172.9175-90000111.3V992 Q995 L996 L1361 D1362 H1367 K1368 F1369 L1400V992-F1365 HydrophobicContact CG1-CE2 4.08Å; V992-F1365 HydrophobicContact CG1-CZ 3.84Å; Q995-F1365 HydrophobicContact CB-CD2 4.47Å; Q995-F1365 HydrophobicContact CB-CE1 4.48Å; Q995-F1365 HydrophobicContact CB-CE2 3.98Å; Q995-F1365 HydrophobicContact CB-CZ 3.99Å; Q995-F1365 HydrophobicContact CG-CD1 4.15Å; Q995-F1365 HydrophobicContact CG-CD2 3.66Å; Q995-F1365 HydrophobicContact CG-CE1 4.21Å; Q995-F1365 HydrophobicContact CG-CE2 3.67Å; Q995-F1365 HydrophobicContact CG-CG 3.9Å; Q995-F1365 HydrophobicContact CG-CZ 3.96Å; L996-F1365 HydrophobicContact CB-CE1 3.7Å; L996-F1365 HydrophobicContact CB-CZ 4.03Å; L996-F1365 HydrophobicContact CD1-CE1 3.89Å; L996-F1365 HydrophobicContact CG-CE1 4.43Å; L1361-F1365 PolarHBondContact O-N 2.97Å; L1361-F1365 VanDerWaalsContact O-N 3.1Å; D1362-F1365 PolarHBondContact O-N 3.39Å; F1365-H1367 VanDerWaalsContact C-N 3.29Å; F1365-H1367 PolarHBondContact O-N 2.85Å; F1365-K1368 PolarHBondContact O-N 3.09Å; F1365-F1369 HydrophobicContact CE1-CB 4.16Å; F1365-F1369 HydrophobicContact CZ-CB 4.47Å; F1365-F1369 WeakPolarHBondContact O-CB 3.38Å; F1365-F1369 PolarHBondContact O-N 3.48Å; F1365-L1400 HydrophobicContact CD2-CD1 4.17Å; F1365-L1400 HydrophobicContact CE2-CD1 3.54Å; F1365-L1400 HydrophobicContact CZ-CD1 4.04Å
1366M82.7Confident75.2Confident0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-59.8-39.3178.3-73.6-53.6-54.800112.1I957 L961 L996 I1000 I1003 D1362 L1363 F1369 L1370I957-M1366 HydrophobicContact CG2-CB 3.94Å; L961-M1366 HydrophobicContact CD1-CE 4.28Å; L961-M1366 HydrophobicContact CD1-CG 4.47Å; L961-M1366 HydrophobicContact CD2-CE 3.94Å; L996-M1366 HydrophobicContact CD1-CE 4.01Å; L996-M1366 HydrophobicContact CD1-SD 3.64Å; I1000-M1366 HydrophobicContact CD1-CE 4.37Å; I1000-M1366 HydrophobicContact CG1-CE 4Å; I1000-M1366 HydrophobicContact CG1-SD 3.81Å; I1003-M1366 HydrophobicContact CD1-CB 4.43Å; I1003-M1366 HydrophobicContact CD1-CG 3.52Å; D1362-M1366 WeakPolarHBondContact O-CB 3.23Å; D1362-M1366 VanDerWaalsContact O-CG 3.26Å; D1362-M1366 WeakPolarHBondContact O-CG 3.08Å; D1362-M1366 PolarHBondContact O-N 3.17Å; L1363-M1366 PolarHBondContact O-N 3.13Å; M1366-F1369 PolarHBondContact O-N 3.12Å; M1366-L1370 HydrophobicContact CE-CD1 4.2Å; M1366-L1370 HydrophobicContact CE-CD2 4.12Å; M1366-L1370 HydrophobicContact CE-CG 4.03Å; M1366-L1370 VanDerWaalsContact O-CB 3.3Å; M1366-L1370 WeakPolarHBondContact O-CB 3.5Å; M1366-L1370 WeakPolarHBondContact O-CG 3.39Å; M1366-L1370 PolarHBondContact O-N 3.09Å
1367H81Confident76Confident4 Ų437.7 Ų37.72%0.01919%0.193CC..Hα-helixtrans-58-51.7176.5-178.771.9000112F946 H951 F952 I957 L1363 F1364 F1365 H1371F946-H1367 AromaticContact CE2-ND1 3.68Å; F946-H1367 AromaticContact CZ-ND1 3.53Å; H951-H1367 PolarHBondContact O-CE1 3.04Å; F952-H1367 HydrophobicContact CD2-CB 3.67Å; F952-H1367 AromaticContact CD2-CG 3.62Å; F952-H1367 AromaticContact CD2-ND1 3.93Å; F952-H1367 HydrophobicContact CE2-CB 3.91Å; I957-H1367 HydrophobicContact CD1-CB 3.56Å; L1363-H1367 PolarHBondContact O-N 2.85Å; F1364-H1367 PolarHBondContact O-N 2.87Å; F1365-H1367 VanDerWaalsContact C-N 3.29Å; F1365-H1367 PolarHBondContact O-N 2.85Å; H1367-H1371 AromaticContact CE1-CD2 3.22Å; H1367-H1371 PolarHBondContact CE1-CD2 3.28Å; H1367-H1371 AromaticContact CE1-NE2 3.15Å; H1367-H1371 PolarHBondContact CE1-NE2 3.33Å; H1367-H1371 AromaticContact ND1-CD2 3.7Å; H1367-H1371 AromaticContact ND1-NE2 3.91Å; H1367-H1371 AromaticContact NE2-CD2 3.5Å; H1367-H1371 AromaticContact NE2-NE2 3.7Å; H1367-H1371 PolarHBondContact O-CD2 3.16Å; H1367-H1371 PolarHBondContact O-N 2.84Å; H1367-H1371 VanDerWaalsContact O-N 3.13Å
1368K76.5Confident76.9Confident61 Ų6131.2 Ų31.227%0.26516%0.164SC..Hα-helixtrans-61.4-46178-74.2-177.7171.6177.30111.6M422 F1364 F1365 A1372M422-K1368 HydrophobicContact CE-CD 4.38Å; M422-K1368 HydrophobicContact CE-CG 4.29Å; M422-K1368 HydrophobicContact SD-CD 4.16Å; M422-K1368 WeakPolarHBondContact SD-CE 3.18Å; F1364-K1368 PolarHBondContact O-N 2.07Å; F1365-K1368 PolarHBondContact O-N 3.09Å; K1368-A1372 WeakPolarHBondContact O-CB 3.46Å; K1368-A1372 PolarHBondContact O-N 2.92Å
1369F83Confident77.5Confident0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-62.6-47.7-179179.4-94000112L996 F1365 M1366 H1371 A1372 N1373 W1376 F1398L996-F1369 HydrophobicContact CD1-CB 4.41Å; L996-F1369 HydrophobicContact CD1-CD1 3.39Å; L996-F1369 HydrophobicContact CD1-CD2 4.16Å; L996-F1369 HydrophobicContact CD1-CE1 3.6Å; L996-F1369 HydrophobicContact CD1-CE2 4.34Å; L996-F1369 HydrophobicContact CD1-CG 3.7Å; L996-F1369 HydrophobicContact CD1-CZ 4.09Å; L996-F1369 HydrophobicContact CD2-CD1 4.2Å; L996-F1369 HydrophobicContact CD2-CD2 4.21Å; L996-F1369 HydrophobicContact CD2-CE1 3.62Å; L996-F1369 HydrophobicContact CD2-CE2 3.63Å; L996-F1369 HydrophobicContact CD2-CG 4.47Å; L996-F1369 HydrophobicContact CD2-CZ 3.3Å; L996-F1369 HydrophobicContact CG-CD1 4.45Å; L996-F1369 HydrophobicContact CG-CE1 4.28Å; L996-F1369 HydrophobicContact CG-CZ 4.34Å; F1365-F1369 HydrophobicContact CE1-CB 4.16Å; F1365-F1369 HydrophobicContact CZ-CB 4.47Å; F1365-F1369 WeakPolarHBondContact O-CB 3.38Å; F1365-F1369 PolarHBondContact O-N 3.48Å; M1366-F1369 PolarHBondContact O-N 3.12Å; F1369-H1371 PolarHBondContact O-N 3.14Å; F1369-A1372 PolarHBondContact O-N 3Å; F1369-N1373 HydrophobicContact CE1-CB 4.47Å; F1369-N1373 VanDerWaalsContact CE2-ND2 3.32Å; F1369-N1373 WeakPolarHBondContact CE2-ND2 3.09Å; F1369-N1373 HydrophobicContact CZ-CB 4.48Å; F1369-N1373 WeakPolarHBondContact O-CB 3.3Å; F1369-N1373 PolarHBondContact O-N 2.89Å; F1369-N1373 PolarHBondContact O-ND2 3.11Å; F1369-W1376 HydrophobicContact CE1-CZ3 4.09Å; F1369-W1376 HydrophobicContact CZ-CZ3 4.03Å; F1369-F1398 HydrophobicContact CE2-CD1 4.33Å; F1369-F1398 HydrophobicContact CE2-CE1 4.39Å
1370L83.4Confident77.8Confident2 Ų227.2 Ų27.21%0.0115%0.147CC..Hα-helixtrans-64.4-41-178.3-68.4171.2000111.4F946 I957 L960 I972 M1366 N1373 T1374 I1377F946-L1370 HydrophobicContact CD1-CB 4.26Å; F946-L1370 HydrophobicContact CE1-CB 3.4Å; F946-L1370 VanDerWaalsContact CE1-CB 3.4Å; F946-L1370 HydrophobicContact CE1-CD1 4.33Å; F946-L1370 HydrophobicContact CZ-CB 3.9Å; F946-L1370 HydrophobicContact CZ-CD1 4.25Å; I957-L1370 HydrophobicContact CG1-CD1 4.17Å; I957-L1370 HydrophobicContact CG2-CD1 4.11Å; L960-L1370 HydrophobicContact CD1-CD1 4.4Å; I972-L1370 HydrophobicContact CD1-CD2 4.42Å; M1366-L1370 HydrophobicContact CE-CD1 4.2Å; M1366-L1370 HydrophobicContact CE-CD2 4.12Å; M1366-L1370 HydrophobicContact CE-CG 4.03Å; M1366-L1370 VanDerWaalsContact O-CB 3.3Å; M1366-L1370 WeakPolarHBondContact O-CB 3.5Å; M1366-L1370 WeakPolarHBondContact O-CG 3.39Å; M1366-L1370 PolarHBondContact O-N 3.09Å; L1370-N1373 CarbonylContact O-C 3.23Å; L1370-N1373 PolarHBondContact O-N 3.5Å; L1370-T1374 VanDerWaalsContact O-CG2 3.3Å; L1370-T1374 WeakPolarHBondContact O-CG2 3.34Å; L1370-T1374 PolarHBondContact O-N 3.34Å; L1370-T1374 VanDerWaalsContact O-N 3.14Å; L1370-I1377 HydrophobicContact CB-CD1 4.21Å; L1370-I1377 HydrophobicContact CD2-CD1 3.44Å; L1370-I1377 VanDerWaalsContact CD2-CD1 3.44Å; L1370-I1377 HydrophobicContact CG-CD1 4.42Å
1371H77.9Confident78.4Confident20 Ų2024.9 Ų24.99%0.09314%0.135CC..Hα-helixtrans-65.4-38.8176-93.4-71.7000113.4F946 S947 H1367 F1369 N1373 F1404F946-H1371 AromaticContact CE1-CD2 3.66Å; F946-H1371 AromaticContact CE1-CG 3.97Å; F946-H1371 AromaticContact CE1-NE2 3.93Å; F946-H1371 AromaticContact CZ-CD2 3.66Å; F946-H1371 AromaticContact CZ-NE2 3.89Å; F946-H1371 PolarHBondContact O-CE1 3.29Å; F946-H1371 PolarHBondContact O-NE2 3.36Å; S947-H1371 PolarHBondContact O-CE1 3.24Å; H1367-H1371 AromaticContact CE1-CD2 3.22Å; H1367-H1371 PolarHBondContact CE1-CD2 3.28Å; H1367-H1371 AromaticContact CE1-NE2 3.15Å; H1367-H1371 PolarHBondContact CE1-NE2 3.33Å; H1367-H1371 AromaticContact ND1-CD2 3.7Å; H1367-H1371 AromaticContact ND1-NE2 3.91Å; H1367-H1371 AromaticContact NE2-CD2 3.5Å; H1367-H1371 AromaticContact NE2-NE2 3.7Å; H1367-H1371 PolarHBondContact O-CD2 3.16Å; H1367-H1371 PolarHBondContact O-N 2.84Å; H1367-H1371 VanDerWaalsContact O-N 3.13Å; F1369-H1371 PolarHBondContact O-N 3.14Å; H1371-N1373 PolarHBondContact O-N 2.96Å; H1371-F1404 HydrophobicContact CB-CD2 4.41Å; H1371-F1404 HydrophobicContact CB-CE2 3.48Å; H1371-F1404 VanDerWaalsContact CB-CE2 3.48Å; H1371-F1404 HydrophobicContact CB-CZ 4.26Å; H1371-F1404 AromaticContact CD2-CE2 3.72Å; H1371-F1404 AromaticContact CD2-CZ 3.77Å; H1371-F1404 AromaticContact CG-CE2 3.53Å; H1371-F1404 AromaticContact CG-CZ 3.81Å; H1371-F1404 AromaticContact NE2-CZ 3.99Å
1372A77.2Confident78.7Confident41 Ų4121.6 Ų21.634%0.33911%0.114SC..Hα-helixtrans-68.4-14.6176.900000113K1368 F1369 L1400K1368-A1372 WeakPolarHBondContact O-CB 3.46Å; K1368-A1372 PolarHBondContact O-N 2.92Å; F1369-A1372 PolarHBondContact O-N 3Å; A1372-L1400 HydrophobicContact CB-CD2 3.84Å
1373N82.3Confident78.6Confident3 Ų323.2 Ų23.22%0.01613%0.125CC..THydrogen-bonded Turntrans-128.721.2-169.4-71.2-75.7000114.1F1369 L1370 H1371 T1375 W1376 I1377 P1396 N1397F1369-N1373 HydrophobicContact CE1-CB 4.47Å; F1369-N1373 VanDerWaalsContact CE2-ND2 3.32Å; F1369-N1373 WeakPolarHBondContact CE2-ND2 3.09Å; F1369-N1373 HydrophobicContact CZ-CB 4.48Å; F1369-N1373 WeakPolarHBondContact O-CB 3.3Å; F1369-N1373 PolarHBondContact O-N 2.89Å; F1369-N1373 PolarHBondContact O-ND2 3.11Å; L1370-N1373 CarbonylContact O-C 3.23Å; L1370-N1373 PolarHBondContact O-N 3.5Å; H1371-N1373 PolarHBondContact O-N 2.96Å; N1373-T1375 VanDerWaalsContact C-N 3.33Å; N1373-T1375 PolarHBondContact O-N 3.15Å; N1373-W1376 HydrophobicContact CB-CE3 4.04Å; N1373-W1376 PolarHBondContact O-N 3.1Å; N1373-I1377 HydrophobicContact CB-CD1 4.21Å; N1373-I1377 WeakPolarHBondContact O-CD1 3.44Å; N1373-I1377 VanDerWaalsContact O-CG1 3.25Å; N1373-I1377 WeakPolarHBondContact O-CG1 3.36Å; N1373-I1377 PolarHBondContact O-N 3.43Å; N1373-P1396 WeakPolarHBondContact OD1-CA 3.49Å; N1373-N1397 PolarHBondContact ND2-O 2.9Å; N1373-N1397 PolarHBondContact OD1-N 3.04Å
1374T79.7Confident78.5Confident32 Ų3226.8 Ų26.820%0.19614%0.142CC..Hα-helixtrans-57.1-43.4-175.452.60000112.8L1370 W1376 I1377 S1378L1370-T1374 VanDerWaalsContact O-CG2 3.3Å; L1370-T1374 WeakPolarHBondContact O-CG2 3.34Å; L1370-T1374 PolarHBondContact O-N 3.34Å; L1370-T1374 VanDerWaalsContact O-N 3.14Å; T1374-W1376 PolarHBondContact O-N 3.13Å; T1374-I1377 PolarHBondContact O-N 2.82Å; T1374-S1378 WeakPolarHBondContact O-CB 3.44Å; T1374-S1378 PolarHBondContact O-N 2.83Å; T1374-S1378 PolarHBondContact O-OG 3.32Å
1375T76.7Confident78.4Confident96 Ų9627 Ų2759%0.58914%0.142SC*.Hα-helixtrans-61.9-45178.351.90000112N1373 S1378 E1379N1373-T1375 VanDerWaalsContact C-N 3.33Å; N1373-T1375 PolarHBondContact O-N 3.15Å; T1375-S1378 PolarHBondContact O-N 2.68Å; T1375-E1379 PolarHBondContact O-N 2.9Å
1376W80.4Confident77.3Confident7 Ų734 Ų343%0.02718%0.175CC..Hα-helixtrans-64.3-41.8176.9174.769.6000112.7I972 S975 F1369 N1373 T1374 E1379 L1380 S1394 P1396I972-W1376 HydrophobicContact CG1-CZ3 4.36Å; I972-W1376 HydrophobicContact CG2-CH2 4.12Å; I972-W1376 HydrophobicContact CG2-CZ3 4.28Å; S975-W1376 WeakPolarHBondContact OG-CH2 3.28Å; S975-W1376 WeakPolarHBondContact OG-CZ2 3.32Å; F1369-W1376 HydrophobicContact CE1-CZ3 4.09Å; F1369-W1376 HydrophobicContact CZ-CZ3 4.03Å; N1373-W1376 HydrophobicContact CB-CE3 4.04Å; N1373-W1376 PolarHBondContact O-N 3.1Å; T1374-W1376 PolarHBondContact O-N 3.13Å; W1376-E1379 PolarHBondContact O-N 3.27Å; W1376-L1380 HydrophobicContact CD2-CD1 3.69Å; W1376-L1380 HydrophobicContact CD2-CG 4.42Å; W1376-L1380 VanDerWaalsContact CE2-CD1 3.47Å; W1376-L1380 HydrophobicContact CE3-CD1 3.84Å; W1376-L1380 HydrophobicContact CG-CD1 4.44Å; W1376-L1380 HydrophobicContact CH2-CD1 3.69Å; W1376-L1380 HydrophobicContact CZ2-CD1 3.53Å; W1376-L1380 HydrophobicContact CZ2-CG 4.44Å; W1376-L1380 HydrophobicContact CZ3-CD1 3.83Å; W1376-L1380 WeakPolarHBondContact O-CB 3.32Å; W1376-L1380 WeakPolarHBondContact O-CG 3.49Å; W1376-L1380 PolarHBondContact O-N 3.1Å; W1376-S1394 VanDerWaalsContact CA-OG 3.22Å; W1376-S1394 WeakPolarHBondContact CA-OG 3.4Å; W1376-S1394 VanDerWaalsContact CD1-O 3.31Å; W1376-P1396 HydrophobicContact CD2-CB 3.98Å; W1376-P1396 HydrophobicContact CE3-CB 4.16Å; W1376-P1396 HydrophobicContact CG-CB 4.49Å; W1376-P1396 HydrophobicContact CH2-CB 4.28Å; W1376-P1396 HydrophobicContact CZ2-CB 4.08Å; W1376-P1396 HydrophobicContact CZ2-CG 4.09Å; W1376-P1396 HydrophobicContact CZ3-CB 4.33Å
1377I82.5Confident75.7Confident4 Ų444.2 Ų44.22%0.02122%0.215CC..Hα-helixtrans-63.4-43.6175.9-66.3159.4000110.5V943 L968 L1370 N1373 T1374 E1379 L1380 I1381V943-I1377 HydrophobicContact CG1-CG2 4.26Å; V943-I1377 HydrophobicContact CG2-CG2 3.88Å; L968-I1377 HydrophobicContact CD1-CG2 4.28Å; L968-I1377 HydrophobicContact CD2-CG2 4.34Å; L1370-I1377 HydrophobicContact CB-CD1 4.21Å; L1370-I1377 HydrophobicContact CD2-CD1 3.44Å; L1370-I1377 VanDerWaalsContact CD2-CD1 3.44Å; L1370-I1377 HydrophobicContact CG-CD1 4.42Å; N1373-I1377 HydrophobicContact CB-CD1 4.21Å; N1373-I1377 WeakPolarHBondContact O-CD1 3.44Å; N1373-I1377 VanDerWaalsContact O-CG1 3.25Å; N1373-I1377 WeakPolarHBondContact O-CG1 3.36Å; N1373-I1377 PolarHBondContact O-N 3.43Å; T1374-I1377 PolarHBondContact O-N 2.82Å; I1377-E1379 PolarHBondContact O-N 2.84Å; I1377-L1380 WeakPolarHBondContact O-CB 3.34Å; I1377-L1380 PolarHBondContact O-N 3.27Å; I1377-I1381 HydrophobicContact CG2-CD1 3.94Å; I1377-I1381 WeakPolarHBondContact O-CD1 3.43Å; I1377-I1381 VanDerWaalsContact O-CG1 3.31Å; I1377-I1381 WeakPolarHBondContact O-CG1 3.35Å; I1377-I1381 PolarHBondContact O-N 3.32Å
1378S78.9Confident74.2Confident7 Ų747.3 Ų47.35%0.04923%0.227CC..Hα-helixtrans-63.4-40.3176.3-67.40000112.1V943 T1374 T1375 I1381 R1382V943-S1378 WeakPolarHBondContact CG1-OG 3.22Å; T1374-S1378 WeakPolarHBondContact O-CB 3.44Å; T1374-S1378 PolarHBondContact O-N 2.83Å; T1374-S1378 PolarHBondContact O-OG 3.32Å; T1375-S1378 PolarHBondContact O-N 2.68Å; S1378-I1381 PolarHBondContact O-N 3.46Å; S1378-R1382 WeakPolarHBondContact O-CB 3.44Å; S1378-R1382 VanDerWaalsContact O-CG 3.28Å; S1378-R1382 WeakPolarHBondContact O-CG 3.3Å; S1378-R1382 PolarHBondContact O-N 2.89Å
1379E78.4Confident73Confident56 Ų5654 Ų5426%0.26226%0.256SS..Hα-helixtrans-64.2-41.1172.8-75.7-175.2-178.200112.4T1375 W1376 I1377 I1381 R1382 S1383 I1392 H1393 S1394T1375-E1379 PolarHBondContact O-N 2.9Å; W1376-E1379 PolarHBondContact O-N 3.27Å; I1377-E1379 PolarHBondContact O-N 2.84Å; E1379-I1381 VanDerWaalsContact C-N 3.34Å; E1379-I1381 PolarHBondContact O-N 3.49Å; E1379-R1382 PolarHBondContact O-N 3.42Å; E1379-S1383 WeakPolarHBondContact O-CB 3.38Å; E1379-S1383 PolarHBondContact O-N 2.89Å; E1379-I1392 HydrophobicContact CB-CG2 4.33Å; E1379-H1393 PolarHBondContact OE2-N 3.15Å; E1379-S1394 WeakPolarHBondContact OE2-CB 3.45Å; E1379-S1394 PolarHBondContact OE2-N 3.3Å; E1379-S1394 PolarHBondContact OE2-OG 3.42Å
1380L78.8Confident71.4Confident5 Ų557.7 Ų57.73%0.02628%0.279CS..Hα-helixtrans-58.7-45.2175.1-82.1169.2000111.6I972 W1376 I1377 S1383 I1392I972-L1380 HydrophobicContact CG1-CD1 4.48Å; W1376-L1380 HydrophobicContact CD2-CD1 3.69Å; W1376-L1380 HydrophobicContact CD2-CG 4.42Å; W1376-L1380 VanDerWaalsContact CE2-CD1 3.47Å; W1376-L1380 HydrophobicContact CE3-CD1 3.84Å; W1376-L1380 HydrophobicContact CG-CD1 4.44Å; W1376-L1380 HydrophobicContact CH2-CD1 3.69Å; W1376-L1380 HydrophobicContact CZ2-CD1 3.53Å; W1376-L1380 HydrophobicContact CZ2-CG 4.44Å; W1376-L1380 HydrophobicContact CZ3-CD1 3.83Å; W1376-L1380 WeakPolarHBondContact O-CB 3.32Å; W1376-L1380 WeakPolarHBondContact O-CG 3.49Å; W1376-L1380 PolarHBondContact O-N 3.1Å; I1377-L1380 WeakPolarHBondContact O-CB 3.34Å; I1377-L1380 PolarHBondContact O-N 3.27Å; L1380-S1383 PolarHBondContact O-N 2.97Å; L1380-S1383 PolarHBondContact O-OG 2.9Å; L1380-I1392 HydrophobicContact CD2-CD1 3.64Å; L1380-I1392 HydrophobicContact CG-CD1 4.41Å
1381I78.5Confident70.2Confident0 Ų061.4 Ų61.40%031%0.305CS..Hα-helixtrans-65.2-45.5177.7-63.7158.8000110.3Q936 L939 E940 V943 L968 I1377 S1378 E1379 S1383 Q1384Q936-I1381 HydrophobicContact CG-CG2 3.97Å; Q936-I1381 PolarHBondContact NE2-O 2.88Å; Q936-I1381 VanDerWaalsContact NE2-O 3.09Å; L939-I1381 HydrophobicContact CD2-CD1 3.89Å; L939-I1381 HydrophobicContact CD2-CG1 3.84Å; L939-I1381 HydrophobicContact CD2-CG2 4.22Å; L939-I1381 HydrophobicContact CG-CD1 3.75Å; L939-I1381 HydrophobicContact CG-CG1 4.26Å; E940-I1381 HydrophobicContact CG-CB 4.41Å; E940-I1381 HydrophobicContact CG-CG2 3.58Å; V943-I1381 HydrophobicContact CG2-CD1 3.66Å; L968-I1381 HydrophobicContact CD1-CD1 4.3Å; L968-I1381 HydrophobicContact CD1-CG1 3.89Å; I1377-I1381 HydrophobicContact CG2-CD1 3.94Å; I1377-I1381 WeakPolarHBondContact O-CD1 3.43Å; I1377-I1381 VanDerWaalsContact O-CG1 3.31Å; I1377-I1381 WeakPolarHBondContact O-CG1 3.35Å; I1377-I1381 PolarHBondContact O-N 3.32Å; S1378-I1381 PolarHBondContact O-N 3.46Å; E1379-I1381 VanDerWaalsContact C-N 3.34Å; E1379-I1381 PolarHBondContact O-N 3.49Å; I1381-S1383 VanDerWaalsContact C-N 3.32Å; I1381-S1383 PolarHBondContact O-N 3.46Å; I1381-Q1384 WeakPolarHBondContact O-CB 3.28Å; I1381-Q1384 PolarHBondContact O-N 3.49Å
1382R75.2Confident69.3Low53 Ų5363.2 Ų63.220%0.232%0.315CS..Hα-helixtrans-64.2-33.2179.6-73.1179.5-169.6121.31.9113.2S1378 E1379 Q1384 R1385S1378-R1382 WeakPolarHBondContact O-CB 3.44Å; S1378-R1382 VanDerWaalsContact O-CG 3.28Å; S1378-R1382 WeakPolarHBondContact O-CG 3.3Å; S1378-R1382 PolarHBondContact O-N 2.89Å; E1379-R1382 PolarHBondContact O-N 3.42Å; R1382-Q1384 PolarHBondContact O-N 3.17Å; R1382-R1385 WeakPolarHBondContact O-CB 3.45Å; R1382-R1385 PolarHBondContact O-N 3.3Å
1383S74.4Confident68.6Low38 Ų3868.1 Ų68.127%0.26633%0.33SS..THydrogen-bonded Turntrans-58.7-19.1177.677.30000113.6E1379 L1380 I1381 R1385E1379-S1383 WeakPolarHBondContact O-CB 3.38Å; E1379-S1383 PolarHBondContact O-N 2.89Å; L1380-S1383 PolarHBondContact O-N 2.97Å; L1380-S1383 PolarHBondContact O-OG 2.9Å; I1381-S1383 VanDerWaalsContact C-N 3.32Å; I1381-S1383 PolarHBondContact O-N 3.46Å; S1383-R1385 VanDerWaalsContact C-N 3.33Å
1384Q71.9Confident67.6Low75 Ų7569.2 Ų69.235%0.3534%0.338SS..THydrogen-bonded Turntrans-78.9-12.7175.5-61.7-68.9-56.500113.2L971 I1381 R1382L971-Q1384 HydrophobicContact CD1-CG 3.93Å; I1381-Q1384 WeakPolarHBondContact O-CB 3.28Å; I1381-Q1384 PolarHBondContact O-N 3.49Å; R1382-Q1384 PolarHBondContact O-N 3.17Å
1385R67.9Low67.1Low30 Ų3076 Ų7611%0.11337%0.365CS..SBendtrans-73.9129175.2-61.8-171.6-178.9-172.1-0.8109.4L921 H923 E940 R1382 S1383 Y1387 Y1388L921-R1385 PolarHBondContact O-NH2 3.45Å; H923-R1385 PolarHBondContact ND1-NH1 2.59Å; E940-R1385 VanDerWaalsContact CD-NH2 3.32Å; E940-R1385 IonicContact OE1-CZ 3.42Å; E940-R1385 IonicContact OE1-NE 3.25Å; E940-R1385 PolarHBondContact OE1-NE 2.96Å; E940-R1385 IonicContact OE1-NH2 3.73Å; E940-R1385 PolarHBondContact OE1-NH2 3.01Å; E940-R1385 IonicContact OE2-CZ 3.75Å; E940-R1385 IonicContact OE2-NH2 2.96Å; E940-R1385 PolarHBondContact OE2-NH2 3.31Å; R1382-R1385 WeakPolarHBondContact O-CB 3.45Å; R1382-R1385 PolarHBondContact O-N 3.3Å; S1383-R1385 VanDerWaalsContact C-N 3.33Å; R1385-Y1387 PolarHBondContact O-N 3.14Å; R1385-Y1387 VanDerWaalsContact O-N 3.09Å; R1385-Y1388 HydrophobicContact CB-CD2 4.47Å; R1385-Y1388 CarbonylContact O-C 3.44Å; R1385-Y1388 PolarHBondContact O-N 2.92Å
1386Q55.9Low67Low179 Ų17972 Ų7284%0.83634%0.341SS*.THydrogen-bonded Turntrans-55.6-30.9176.5-70.4-177.4-9.900113.3
1387Y49.9Very low66.6Low215 Ų21575.2 Ų75.284%0.84336%0.359SS*.THydrogen-bonded Turntrans-77.1-21.4178.1-82.7-84.2000114.2R1385R1385-Y1387 PolarHBondContact O-N 3.14Å; R1385-Y1387 VanDerWaalsContact O-N 3.09Å
1388Y49.8Very low66.1Low70 Ų7075.3 Ų75.328%0.27536%0.359SS..  trans-112.865.7179.2-80.6-87.5000110.3H923 R1385 T1390H923-Y1388 AromaticContact CE1-CE2 3.67Å; H923-Y1388 AromaticContact CE1-CZ 3.92Å; H923-Y1388 PolarHBondContact CE1-OH 3.42Å; H923-Y1388 AromaticContact NE2-CE2 3.36Å; H923-Y1388 WeakPolarHBondContact NE2-CE2 3.31Å; H923-Y1388 AromaticContact NE2-CZ 3.47Å; H923-Y1388 PolarHBondContact NE2-OH 3.27Å; R1385-Y1388 HydrophobicContact CB-CD2 4.47Å; R1385-Y1388 CarbonylContact O-C 3.44Å; R1385-Y1388 PolarHBondContact O-N 2.92Å; Y1388-T1390 HydrophobicContact CD1-CG2 4.16Å; Y1388-T1390 PolarHBondContact O-N 2.9Å
1389K50.6Low65.5Low200 Ų20081 Ų8187%0.8739%0.385SS*.  trans-72.135159.6-77.3-173.2176-179.60111.7
1390T50.1Low64.7Low79 Ų7980.2 Ų80.249%0.48538%0.382SS..PPolyproline II helixtrans-74.7134.6174.539.30000109Y1388 I1392Y1388-T1390 HydrophobicContact CD1-CG2 4.16Å; Y1388-T1390 PolarHBondContact O-N 2.9Å; T1390-I1392 PolarHBondContact O-N 3.47Å
1391S56.5Low63.5Low79 Ų7986.7 Ų86.755%0.55242%0.417SS*.PPolyproline II helixtrans-56.1132170500000109.8H1393S1391-H1393 PolarHBondContact O-CD2 3.42Å; S1391-H1393 VanDerWaalsContact O-CD2 3.23Å; S1391-H1393 PolarHBondContact O-N 2.68Å; S1391-H1393 PolarHBondContact O-NE2 3.47Å; S1391-H1393 PolarHBondContact OG-CE1 2.87Å
1392I59.4Low61.9Low59 Ų5994.3 Ų94.330%0.30345%0.452SS..PPolyproline II helixtrans-58.8118.7169.5-59.7164.6000107E1379 L1380 T1390 S1394E1379-I1392 HydrophobicContact CB-CG2 4.33Å; L1380-I1392 HydrophobicContact CD2-CD1 3.64Å; L1380-I1392 HydrophobicContact CG-CD1 4.41Å; T1390-I1392 PolarHBondContact O-N 3.47Å; I1392-S1394 WeakPolarHBondContact CG2-O 3.35Å
1393H62.1Low60.5Low143 Ų14395 Ų9566%0.66247%0.466SS*.  trans-94.8-32.4-175.7-69.3-63.4000111.4E1379 S1391E1379-H1393 PolarHBondContact OE2-N 3.15Å; S1391-H1393 PolarHBondContact O-CD2 3.42Å; S1391-H1393 VanDerWaalsContact O-CD2 3.23Å; S1391-H1393 PolarHBondContact O-N 2.68Å; S1391-H1393 PolarHBondContact O-NE2 3.47Å; S1391-H1393 PolarHBondContact OG-CE1 2.87Å
1394S62.7Low59.1Low26 Ų2695.4 Ų95.418%0.18246%0.463CS..PPolyproline II helixtrans-76.9136.3178.8610000111.5W1376 E1379 I1392W1376-S1394 VanDerWaalsContact CA-OG 3.22Å; W1376-S1394 WeakPolarHBondContact CA-OG 3.4Å; W1376-S1394 VanDerWaalsContact CD1-O 3.31Å; E1379-S1394 WeakPolarHBondContact OE2-CB 3.45Å; E1379-S1394 PolarHBondContact OE2-N 3.3Å; E1379-S1394 PolarHBondContact OE2-OG 3.42Å; I1392-S1394 WeakPolarHBondContact CG2-O 3.35Å
1395K69.5Low57.8Low174 Ų17496.2 Ų96.276%0.75747%0.468SS*.PPolyproline II helixtrans-95.7145.8169.3-70.8-174.9178.5-177.40109.1N1397K1395-N1397 PolarHBondContact O-N 3.33Å
1396P74.1Confident56.7Low14 Ų1496.2 Ų96.29%0.09147%0.472CS..PPolyproline II helixtrans-63.3133.4173.725.9-32.4000110.4L976 N1373 W1376 F1398L976-P1396 HydrophobicContact CD2-CG 4.5Å; N1373-P1396 WeakPolarHBondContact OD1-CA 3.49Å; W1376-P1396 HydrophobicContact CD2-CB 3.98Å; W1376-P1396 HydrophobicContact CE3-CB 4.16Å; W1376-P1396 HydrophobicContact CG-CB 4.49Å; W1376-P1396 HydrophobicContact CH2-CB 4.28Å; W1376-P1396 HydrophobicContact CZ2-CB 4.08Å; W1376-P1396 HydrophobicContact CZ2-CG 4.09Å; W1376-P1396 HydrophobicContact CZ3-CB 4.33Å; P1396-F1398 HydrophobicContact CB-CE2 4.23Å; P1396-F1398 HydrophobicContact CB-CZ 4.11Å; P1396-F1398 HydrophobicContact CG-CE2 3.76Å; P1396-F1398 HydrophobicContact CG-CZ 3.75Å
1397N72.6Confident56.1Low73 Ų7388.6 Ų88.639%0.3944%0.437SS..PPolyproline II helixtrans-83118.1170.1-175.110000110.2N1373 K1395 Q1399N1373-N1397 PolarHBondContact ND2-O 2.9Å; N1373-N1397 PolarHBondContact OD1-N 3.04Å; K1395-N1397 PolarHBondContact O-N 3.33Å; N1397-Q1399 PolarHBondContact OD1-N 2.77Å
1398F71.9Confident55.6Low6 Ų683.6 Ų83.63%0.02643%0.429CS..  trans-100.9-7.5176.6-64.2-72.9000113.3L976 L985 E989 V992 A993 F1369 P1396 L1400L976-F1398 HydrophobicContact CD2-CE1 3.75Å; L976-F1398 HydrophobicContact CD2-CZ 3.45Å; L976-F1398 VanDerWaalsContact CD2-CZ 3.45Å; L985-F1398 HydrophobicContact CD2-CD2 4.06Å; L985-F1398 HydrophobicContact CD2-CE2 3.66Å; L985-F1398 HydrophobicContact CD2-CZ 4.39Å; E989-F1398 HydrophobicContact CB-CB 3.92Å; E989-F1398 HydrophobicContact CB-CD2 4.01Å; E989-F1398 HydrophobicContact CB-CG 4.08Å; E989-F1398 HydrophobicContact CG-CB 3.82Å; E989-F1398 HydrophobicContact CG-CD2 4.21Å; E989-F1398 HydrophobicContact CG-CG 4.36Å; V992-F1398 HydrophobicContact CB-CB 4.24Å; V992-F1398 HydrophobicContact CB-CD1 4.27Å; V992-F1398 HydrophobicContact CG1-CB 4.24Å; V992-F1398 HydrophobicContact CG1-CD1 4Å; V992-F1398 WeakPolarHBondContact CG2-O 3.4Å; A993-F1398 HydrophobicContact CB-CD1 4.44Å; A993-F1398 HydrophobicContact CB-CE1 3.91Å; A993-F1398 HydrophobicContact CB-CZ 4.42Å; F1369-F1398 HydrophobicContact CE2-CD1 4.33Å; F1369-F1398 HydrophobicContact CE2-CE1 4.39Å; P1396-F1398 HydrophobicContact CB-CE2 4.23Å; P1396-F1398 HydrophobicContact CB-CZ 4.11Å; P1396-F1398 HydrophobicContact CG-CE2 3.76Å; P1396-F1398 HydrophobicContact CG-CZ 3.75Å; F1398-L1400 PolarHBondContact O-N 3.12Å; F1398-L1400 VanDerWaalsContact O-N 3.15Å
1399Q65.9Low55.2Low127 Ų12785.6 Ų85.659%0.59344%0.444SS*.  trans-83.393177.1-66.4-174.95.700109.5N1397N1397-Q1399 PolarHBondContact OD1-N 2.77Å
1400L61.7Low55Low39 Ų3977.8 Ų77.820%0.20441%0.412CS..  trans-91.22.9179.1-58.1176000113.4V992 F1365 A1372 F1398V992-L1400 HydrophobicContact CG1-CD1 3.87Å; V992-L1400 HydrophobicContact CG1-CG 4.33Å; F1365-L1400 HydrophobicContact CD2-CD1 4.17Å; F1365-L1400 HydrophobicContact CE2-CD1 3.54Å; F1365-L1400 HydrophobicContact CZ-CD1 4.04Å; A1372-L1400 HydrophobicContact CB-CD2 3.84Å; F1398-L1400 PolarHBondContact O-N 3.12Å; F1398-L1400 VanDerWaalsContact O-N 3.15Å
1401D53.3Low55Low142 Ų14281.6 Ų81.676%0.75942%0.421SS*.  trans-74.8-23.7-174.1-74.4-17.5000113S1403D1401-S1403 PolarHBondContact O-N 2.79Å
1402E45.3Very low54.7Low159 Ų15978.4 Ų78.474%0.74340%0.398SS*.SBendtrans-73.3128.9178.9-66.1-162163.400109.9F1404E1402-F1404 PolarHBondContact O-N 2.81Å
1403S46Very low54.1Low68 Ų6878.4 Ų78.448%0.47640%0.401SS..  trans-38.9112.6174.749.20000109.2D1401 I1405D1401-S1403 PolarHBondContact O-N 2.79Å; S1403-I1405 WeakPolarHBondContact O-CG1 3.26Å; S1403-I1405 PolarHBondContact O-N 3.23Å
1404F43.7Very low53.6Low47 Ų4775.6 Ų75.621%0.20639%0.391CS..  trans-44.2105.4174.8179-97.7000109.1P511 H1371 E1402 P1406P511-F1404 HydrophobicContact CG-CB 4.18Å; P511-F1404 HydrophobicContact CG-CD1 4.44Å; H1371-F1404 HydrophobicContact CB-CD2 4.41Å; H1371-F1404 HydrophobicContact CB-CE2 3.48Å; H1371-F1404 VanDerWaalsContact CB-CE2 3.48Å; H1371-F1404 HydrophobicContact CB-CZ 4.26Å; H1371-F1404 AromaticContact CD2-CE2 3.72Å; H1371-F1404 AromaticContact CD2-CZ 3.77Å; H1371-F1404 AromaticContact CG-CE2 3.53Å; H1371-F1404 AromaticContact CG-CZ 3.81Å; H1371-F1404 AromaticContact NE2-CZ 3.99Å; E1402-F1404 PolarHBondContact O-N 2.81Å; F1404-P1406 HydrophobicContact CD1-CB 4.31Å; F1404-P1406 HydrophobicContact CD1-CG 4.43Å; F1404-P1406 HydrophobicContact CE1-CB 3.75Å; F1404-P1406 HydrophobicContact CE1-CG 4.28Å; F1404-P1406 HydrophobicContact CZ-CB 4.47Å; F1404-P1406 WeakPolarHBondContact O-CD 3.32Å
1405I44.7Very low52.7Low91 Ų9179.1 Ų79.147%0.46742%0.416SS..  trans-94.7100172.9-48.4-175.6000104.2S1403 N1407 V1408S1403-I1405 WeakPolarHBondContact O-CG1 3.26Å; S1403-I1405 PolarHBondContact O-N 3.23Å; I1405-N1407 HydrophobicContact CG2-CB 4.18Å; I1405-N1407 PolarHBondContact O-N 3.34Å; I1405-V1408 PolarHBondContact O-N 2.82Å
1406P45Very low51.7Low31 Ų3174.7 Ų74.720%0.20140%0.399CS..THydrogen-bonded Turntrans-57.9-11.9178.920.3-31000113.2F748 I785 F1404F748-P1406 HydrophobicContact CE1-CG 4.43Å; I785-P1406 HydrophobicContact CD1-CB 4.43Å; F1404-P1406 HydrophobicContact CD1-CB 4.31Å; F1404-P1406 HydrophobicContact CD1-CG 4.43Å; F1404-P1406 HydrophobicContact CE1-CB 3.75Å; F1404-P1406 HydrophobicContact CE1-CG 4.28Å; F1404-P1406 HydrophobicContact CZ-CB 4.47Å; F1404-P1406 WeakPolarHBondContact O-CD 3.32Å
1407N42.6Very low50.5Low19 Ų1982.7 Ų82.710%0.10244%0.435CS..THydrogen-bonded Turntrans-100.936.8-174.3-65.1-7.9000113.4Q751 S782 I1405 D1409Q751-N1407 PolarHBondContact NE2-O 2.89Å; S782-N1407 PolarHBondContact OG-ND2 3.3Å; I1405-N1407 HydrophobicContact CG2-CB 4.18Å; I1405-N1407 PolarHBondContact O-N 3.34Å; N1407-D1409 PolarHBondContact O-N 3.48Å
1408V40.6Very low49.5Very low110 Ų11088 Ų8867%0.66746%0.458SS*.  trans-50133.3171.1178.20000109.4I1405 I1410I1405-V1408 PolarHBondContact O-N 2.82Å; V1408-I1410 WeakPolarHBondContact O-CG1 3.4Å; V1408-I1410 PolarHBondContact O-N 2.92Å
1409D40.7Very low48.9Very low112 Ų11289.5 Ų89.560%0.59947%0.468SS*.  trans-34.898.7-172.2-68-46.7000114.3N1407 K1411N1407-D1409 PolarHBondContact O-N 3.48Å; D1409-K1411 PolarHBondContact O-N 3.31Å
1410I47.1Very low49Very low36 Ų3688 Ų8819%0.18546%0.463CS..  trans-81.699.1-179.6-55.4169.3000108.1I756 F840 V1408 L1412I756-I1410 WeakPolarHBondContact CG2-O 3.43Å; F840-I1410 HydrophobicContact CD2-CD1 4.18Å; F840-I1410 HydrophobicContact CD2-CG2 4.37Å; F840-I1410 HydrophobicContact CE2-CD1 3.7Å; V1408-I1410 WeakPolarHBondContact O-CG1 3.4Å; V1408-I1410 PolarHBondContact O-N 2.92Å; I1410-L1412 PolarHBondContact O-N 3.47Å
1411K49.4Very low49.4Very low158 Ų15888.4 Ų88.469%0.68746%0.463SS*.  trans-66.6105.6165.1-74.5-174.9177.4-178.30109D1409 T1413D1409-K1411 PolarHBondContact O-N 3.31Å; K1411-T1413 PolarHBondContact O-N 3.13Å; K1411-T1413 VanDerWaalsContact C-N 3.26Å
1412L50Low50Low12 Ų1287 Ų876%0.06345%0.452CS..SBendtrans-59.6-39.2175.3-98.1155.5000112L757 W774 L833 G836 I837 I1410L757-L1412 HydrophobicContact CD1-CD1 3.93Å; W774-L1412 HydrophobicContact CD2-CD1 4.44Å; W774-L1412 HydrophobicContact CG-CD1 3.94Å; L833-L1412 HydrophobicContact CD1-CD1 3.79Å; L833-L1412 HydrophobicContact CD1-CD2 4.44Å; G836-L1412 WeakPolarHBondContact O-CD2 3.38Å; I837-L1412 HydrophobicContact CG1-CD2 4.16Å; I1410-L1412 PolarHBondContact O-N 3.47Å
1413T47.9Very low51.1Low59 Ų5982.5 Ų82.536%0.36243%0.429SS..SBendtrans-142.7136.3-179.545.80000108.5K1411K1411-T1413 PolarHBondContact O-N 3.13Å; K1411-T1413 VanDerWaalsContact C-N 3.26Å
1414D50.1Low52Low84 Ų8480 Ų8045%0.44941%0.41SS..  trans-61.8146.3163.3-74-37.3000108.3N920 I1416N920-D1414 PolarHBondContact ND2-OD2 2.92Å; D1414-I1416 WeakPolarHBondContact O-CG1 3.34Å; D1414-I1416 PolarHBondContact O-N 3.34Å
1415S43.6Very low53Low100 Ų10079.2 Ų79.270%0.69941%0.407SS*.  trans-55.1107.6172.747.90000107.9E1417S1415-E1417 PolarHBondContact O-N 3.14Å
1416I48.5Very low53.9Low81 Ų8178.4 Ų78.442%0.41541%0.409SS..  trans-72.684.2-175-55.2177.2000107.1W832 D1414 E1418 V1419W832-I1416 HydrophobicContact CD2-CD1 3.62Å; W832-I1416 HydrophobicContact CE3-CD1 3.95Å; W832-I1416 HydrophobicContact CG-CD1 3.99Å; W832-I1416 HydrophobicContact CH2-CD1 4.32Å; W832-I1416 HydrophobicContact CZ2-CD1 4.03Å; W832-I1416 HydrophobicContact CZ3-CD1 4.29Å; D1414-I1416 WeakPolarHBondContact O-CG1 3.34Å; D1414-I1416 PolarHBondContact O-N 3.34Å; I1416-E1418 VanDerWaalsContact C-N 3.3Å; I1416-E1418 PolarHBondContact O-N 3.49Å; I1416-V1419 HydrophobicContact CG2-CB 4.42Å; I1416-V1419 HydrophobicContact CG2-CG2 3.34Å
1417E48.9Very low54.9Low182 Ų18277.5 Ų77.585%0.8540%0.402SS*.SBendtrans-67-34.7-179.7-74.5-172.1161.600110.8S1415S1415-E1417 PolarHBondContact O-N 3.14Å
1418E52.5Low56.3Low184 Ų18477.6 Ų77.686%0.8640%0.403SS*.  trans-157.3118.2172.8-99.8170.4-169.700110.9I1416 N1420I1416-E1418 VanDerWaalsContact C-N 3.3Å; I1416-E1418 PolarHBondContact O-N 3.49Å; E1418-N1420 PolarHBondContact O-N 3.21Å
1419V60.2Low57.7Low38 Ų3872.5 Ų72.523%0.2337%0.372CS..  trans-69.5112.5172.1-178.80000108.7W832 I1416 W1421 I1424W832-V1419 HydrophobicContact CZ2-CG1 4.5Å; W832-V1419 HydrophobicContact CZ2-CG2 4.14Å; I1416-V1419 HydrophobicContact CG2-CB 4.42Å; I1416-V1419 HydrophobicContact CG2-CG2 3.34Å; V1419-W1421 HydrophobicContact CG1-CD2 3.82Å; V1419-W1421 PolarHBondContact O-N 3.24Å; V1419-W1421 VanDerWaalsContact O-CD1 3.24Å; V1419-W1421 HydrophobicContact CG1-CZ3 4.45Å; V1419-W1421 HydrophobicContact CG1-CZ2 3.93Å; V1419-W1421 HydrophobicContact CG1-CH2 4.31Å; V1419-W1421 HydrophobicContact CG1-CG 4.21Å; V1419-W1421 HydrophobicContact CG1-CE3 4.22Å; V1419-W1421 HydrophobicContact CB-CZ2 4.28Å; V1419-W1421 VanDerWaalsContact C-N 3.28Å; V1419-I1424 HydrophobicContact CG1-CD1 3.39Å
1420N67.3Low59Low95 Ų9568.5 Ų68.551%0.50836%0.357SS..  trans-75.681.3173.8-171.6-17.6000110.7E1418 E1422 K1423 I1424E1418-N1420 PolarHBondContact O-N 3.21Å; N1420-E1422 PolarHBondContact O-N 2.69Å; N1420-E1422 PolarHBondContact OD1-N 3.1Å; N1420-K1423 VanDerWaalsContact OD1-N 3.16Å; N1420-K1423 PolarHBondContact OD1-N 3.35Å; N1420-K1423 WeakPolarHBondContact O-CB 3.45Å; N1420-K1423 HydrophobicContact CB-CB 4.16Å; N1420-K1423 PolarHBondContact O-N 2.85Å; N1420-I1424 PolarHBondContact O-N 3.48Å
1421W69.3Low59.8Low49 Ų4969.1 Ų69.119%0.18636%0.361CS..Hα-helixtrans-58.2-29179.9-65.1103.1000113.6L877 P882 L885 V1419 K1423 I1424 H1425L877-W1421 HydrophobicContact CD2-CZ3 4.36Å; P882-W1421 HydrophobicContact CG-CG 4.16Å; L885-W1421 HydrophobicContact CD1-CB 3.37Å; L885-W1421 HydrophobicContact CD1-CG 4.46Å; V1419-W1421 HydrophobicContact CG1-CD2 3.82Å; V1419-W1421 PolarHBondContact O-N 3.24Å; V1419-W1421 VanDerWaalsContact O-CD1 3.24Å; V1419-W1421 HydrophobicContact CG1-CZ3 4.45Å; V1419-W1421 HydrophobicContact CG1-CZ2 3.93Å; V1419-W1421 HydrophobicContact CG1-CH2 4.31Å; V1419-W1421 HydrophobicContact CG1-CG 4.21Å; V1419-W1421 HydrophobicContact CG1-CE3 4.22Å; V1419-W1421 HydrophobicContact CB-CZ2 4.28Å; V1419-W1421 VanDerWaalsContact C-N 3.28Å; W1421-K1423 VanDerWaalsContact C-N 3.34Å; W1421-I1424 HydrophobicContact CE3-CD1 4.49Å; W1421-I1424 PolarHBondContact O-N 3.25Å; W1421-H1425 VanDerWaalsContact O-CB 3.23Å; W1421-H1425 WeakPolarHBondContact O-CB 3.45Å; W1421-H1425 PolarHBondContact O-N 3.49Å
1422E66.7Low59.9Low113 Ų11369.9 Ų69.953%0.52837%0.367SS..Hα-helixtrans-66.7-37.2176.2-65.7-161.5140.800111.8L885 K888 N1420L885-E1422 HydrophobicContact CD2-CG 4.26Å; K888-E1422 IonicContact NZ-OE1 2.68Å; K888-E1422 PolarHBondContact NZ-OE1 2.94Å; N1420-E1422 PolarHBondContact O-N 2.69Å; N1420-E1422 PolarHBondContact OD1-N 3.1Å
1423K67.3Low59.4Low64 Ų6475.6 Ų75.628%0.27839%0.393SS..Hα-helixtrans-68.5-45.9174.9-170-174.3-179.9-167.90111.4H923 N1420 W1421 H1425 C1426H923-K1423 WeakPolarHBondContact O-CE 3.23Å; H923-K1423 PolarHBondContact O-NZ 3.32Å; H923-K1423 VanDerWaalsContact O-NZ 3.13Å; N1420-K1423 VanDerWaalsContact OD1-N 3.16Å; N1420-K1423 PolarHBondContact OD1-N 3.35Å; N1420-K1423 WeakPolarHBondContact O-CB 3.45Å; N1420-K1423 HydrophobicContact CB-CB 4.16Å; N1420-K1423 PolarHBondContact O-N 2.85Å; W1421-K1423 VanDerWaalsContact C-N 3.34Å; K1423-H1425 VanDerWaalsContact C-N 3.28Å; K1423-H1425 PolarHBondContact O-N 2.85Å; K1423-C1426 VanDerWaalsContact O-N 3.11Å; K1423-C1426 PolarHBondContact O-N 2.81Å; K1423-C1426 WeakPolarHBondContact O-CB 3.37Å
1424I66.8Low58.8Low14 Ų1484.2 Ų84.27%0.07244%0.435CS..Hα-helixtrans-63.8-37.2-179.8-55.8174.9000110.6L877 I916 V1419 N1420 W1421 C1426 I1427L877-I1424 HydrophobicContact CD1-CG2 4.3Å; L877-I1424 HydrophobicContact CD2-CG2 3.66Å; L877-I1424 HydrophobicContact CG-CG2 4.29Å; I916-I1424 HydrophobicContact CD1-CG2 4.01Å; I916-I1424 HydrophobicContact CG1-CG2 4.1Å; I916-I1424 HydrophobicContact CG2-CD1 4.14Å; I916-I1424 HydrophobicContact CG2-CG2 4.39Å; V1419-I1424 HydrophobicContact CG1-CD1 3.39Å; N1420-I1424 PolarHBondContact O-N 3.48Å; W1421-I1424 HydrophobicContact CE3-CD1 4.49Å; W1421-I1424 PolarHBondContact O-N 3.25Å; I1424-C1426 PolarHBondContact O-N 3.45Å; I1424-C1426 VanDerWaalsContact O-N 3.14Å; I1424-I1427 WeakPolarHBondContact O-CB 3.28Å; I1424-I1427 PolarHBondContact O-N 2.95Å
1425H63.7Low59.2Low31 Ų3184.2 Ų84.214%0.14444%0.435CS..Hα-helixtrans-58.3-24.3175.4172.5-74.7000113.5L885 L889 W1421 K1423 I1427L885-H1425 PolarHBondContact O-CD2 3.08Å; L885-H1425 PolarHBondContact O-NE2 2.79Å; L889-H1425 WeakPolarHBondContact CG-NE2 3.47Å; W1421-H1425 VanDerWaalsContact O-CB 3.23Å; W1421-H1425 WeakPolarHBondContact O-CB 3.45Å; W1421-H1425 PolarHBondContact O-N 3.49Å; K1423-H1425 VanDerWaalsContact C-N 3.28Å; K1423-H1425 PolarHBondContact O-N 2.85Å; H1425-I1427 VanDerWaalsContact C-N 3.32Å
1426C63.4Low60Low75 Ų7583.4 Ų83.451%0.50742%0.421SS..THydrogen-bonded Turntrans-80.7-7.9176.9-68.80000114.1K1423 I1424K1423-C1426 VanDerWaalsContact O-N 3.11Å; K1423-C1426 PolarHBondContact O-N 2.81Å; K1423-C1426 WeakPolarHBondContact O-CB 3.37Å; I1424-C1426 PolarHBondContact O-N 3.45Å; I1424-C1426 VanDerWaalsContact O-N 3.14Å
1427I67.2Low60.7Low11 Ų1183.5 Ų83.56%0.05642%0.421CS..SBendtrans-95.4120.8-174.2-58.4171.1000109.9N912 A915 I916 I925 I1424 H1425 V1429N912-I1427 HydrophobicContact CB-CG2 3.92Å; A915-I1427 HydrophobicContact CB-CD1 3.81Å; I916-I1427 HydrophobicContact CG1-CD1 4.07Å; I925-I1427 HydrophobicContact CG1-CG2 4.3Å; I1424-I1427 WeakPolarHBondContact O-CB 3.28Å; I1424-I1427 PolarHBondContact O-N 2.95Å; H1425-I1427 VanDerWaalsContact C-N 3.32Å; I1427-V1429 HydrophobicContact CG2-CG1 4.21Å; I1427-V1429 PolarHBondContact O-N 3.43Å; I1427-V1429 VanDerWaalsContact O-N 3.07Å
1428N70.6Confident61.4Low21 Ų2177.7 Ų77.711%0.11240%0.396CS..  trans-73.498.4176.9-176.3-2.6000111.1F894 F906 N912 G1430F894-N1428 HydrophobicContact CE2-CB 4.25Å; F894-N1428 HydrophobicContact CZ-CB 3.84Å; F906-N1428 PolarHBondContact O-ND2 3.19Å; N912-N1428 PolarHBondContact ND2-O 3.04Å; N1428-G1430 PolarHBondContact OD1-N 3.48Å
1429V71.4Confident61.9Low4 Ų471.1 Ų71.12%0.02437%0.367CS..  trans-94.614.4174.2-65.60000113.5L870 Q874 L877 I916 I1427 L1431L870-V1429 HydrophobicContact CD1-CB 3.95Å; L870-V1429 HydrophobicContact CD1-CG1 4.33Å; Q874-V1429 HydrophobicContact CG-CB 4.4Å; Q874-V1429 HydrophobicContact CG-CG2 4.24Å; Q874-V1429 PolarHBondContact NE2-O 2.94Å; L877-V1429 HydrophobicContact CD1-CB 4.43Å; L877-V1429 HydrophobicContact CD1-CG1 4.23Å; L877-V1429 HydrophobicContact CD1-CG2 3.45Å; L877-V1429 VanDerWaalsContact CD1-CG2 3.45Å; I916-V1429 HydrophobicContact CD1-CG1 3.93Å; I1427-V1429 HydrophobicContact CG2-CG1 4.21Å; I1427-V1429 PolarHBondContact O-N 3.43Å; I1427-V1429 VanDerWaalsContact O-N 3.07Å; V1429-L1431 HydrophobicContact CG2-CD1 3.88Å; V1429-L1431 HydrophobicContact CG2-CG 3.95Å
1430G67.7Low62Low27 Ų2773.3 Ų73.328%0.27838%0.376SS..  trans73.426.6175.300000115.2N1428 Q1432N1428-G1430 PolarHBondContact OD1-N 3.48Å; G1430-Q1432 PolarHBondContact O-N 2.92Å
1431L63.6Low61.6Low50 Ų5071.7 Ų71.726%0.26237%0.366SS..  trans-64.4118.8169.3-70.9161.5000108.7Q874 L877 W886 Y895 V1429Q874-L1431 HydrophobicContact CB-CD2 4.1Å; Q874-L1431 HydrophobicContact CG-CD2 4.12Å; Q874-L1431 HydrophobicContact CG-CG 4.41Å; L877-L1431 HydrophobicContact CB-CD1 4.43Å; L877-L1431 HydrophobicContact CD1-CD1 4.45Å; W886-L1431 HydrophobicContact CH2-CD1 4.03Å; Y895-L1431 PolarHBondContact OH-O 3.46Å; V1429-L1431 HydrophobicContact CG2-CD1 3.88Å; V1429-L1431 HydrophobicContact CG2-CG 3.95Å
1432Q50.4Low61.1Low174 Ų17473.5 Ų73.581%0.81338%0.38SS*.  trans-99142.9167.4-71.3-178.7-14.900108.2G1430 L1434G1430-Q1432 PolarHBondContact O-N 2.92Å; Q1432-L1434 PolarHBondContact O-N 3.22Å; Q1432-L1434 VanDerWaalsContact O-N 3.08Å
1433E41Very low60.6Low131 Ų13170.2 Ų70.261%0.61237%0.368SS*.  trans-54.5114.7165.7-94.7-179.4163.500108.7H890 Y895H890-E1433 IonicContact CE1-OE1 2.71Å; H890-E1433 IonicContact ND1-OE1 3.93Å; H890-E1433 PolarHBondContact ND1-OE1 3.46Å; Y895-E1433 HydrophobicContact CE2-CG 4.01Å; Y895-E1433 PolarHBondContact OH-N 3.41Å
1434L33.9Very low60Low240 Ų24070.7 Ų70.7100%1.25738%0.376SS*.  trans-73.40154.1-86.4161.6000108Q1432Q1432-L1434 PolarHBondContact O-N 3.22Å; Q1432-L1434 VanDerWaalsContact O-N 3.08Å

Retrieved 1,434 of 1,434 residues in 2005.6 ms (Link to these results)

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