A0A096MQG9_PAPAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A096MQG9, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM68, Length 485 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
1M52.8Low67Low209 Ų20979.6 Ų79.6100%1.0345%0.452SS*.  01290-94-177.3-85.700107.1P3 L6M1-P3 WeakPolarHBondContact O-CD 3.32Å; M1-L6 HydrophobicContact SD-CD1 4.41Å
2D64.1Low67.7Low95 Ų9585.4 Ų85.451%0.50847%0.473SS..  trans-59.2123.5171.3171.124.2000109.1T4 A5 L6D2-T4 PolarHBondContact O-N 3.36Å; D2-T4 PolarHBondContact OD1-N 3.21Å; D2-A5 HydrophobicContact CB-CB 3.93Å; D2-A5 PolarHBondContact O-N 3.19Å; D2-A5 PolarHBondContact OD2-N 3.19Å; D2-L6 PolarHBondContact O-N 2.99Å
3P60.4Low68.9Low95 Ų9591 Ų9162%0.61749%0.493SS*.Hα-helixtrans-55.5-30.8178.9-26.134.8000113.1M1 L6 V7M1-P3 WeakPolarHBondContact O-CD 3.32Å; P3-L6 PolarHBondContact O-N 3.01Å; P3-V7 WeakPolarHBondContact O-CG2 3.49Å; P3-V7 PolarHBondContact O-N 2.99Å; P3-V7 VanDerWaalsContact O-N 3.08Å
4T57.3Low70.2Confident62 Ų6284.9 Ų84.938%0.3846%0.46SS..Hα-helixtrans-71.7-48177.7-590000111.2D2 L6 V7 E8D2-T4 PolarHBondContact O-N 3.36Å; D2-T4 PolarHBondContact OD1-N 3.21Å; T4-L6 PolarHBondContact O-N 2.89Å; T4-V7 PolarHBondContact O-N 3.07Å; T4-V7 VanDerWaalsContact O-N 3.07Å; T4-E8 PolarHBondContact O-N 3.25Å
5A62.9Low71.1Confident48 Ų4881.1 Ų81.140%0.39745%0.445SS..Hα-helixtrans-58.3-33.6173.100000112.9D2 A9D2-A5 HydrophobicContact CB-CB 3.93Å; D2-A5 PolarHBondContact O-N 3.19Å; D2-A5 PolarHBondContact OD2-N 3.19Å; A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.49Å; A5-A9 PolarHBondContact O-N 3.08Å
6L71.4Confident72Confident81 Ų8176.1 Ų76.142%0.42442%0.417SS..Hα-helixtrans-69.5-40.3174.9-17763.3000112.1M1 D2 P3 T4 I10M1-L6 HydrophobicContact SD-CD1 4.41Å; D2-L6 PolarHBondContact O-N 2.99Å; P3-L6 PolarHBondContact O-N 3.01Å; T4-L6 PolarHBondContact O-N 2.89Å; L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CG-CD1 3.99Å; L6-I10 WeakPolarHBondContact O-CB 3.37Å; L6-I10 WeakPolarHBondContact O-CD1 3.46Å; L6-I10 WeakPolarHBondContact O-CG1 3.17Å; L6-I10 PolarHBondContact O-N 3.49Å
7V70.8Confident72.7Confident39 Ų3974.6 Ų74.624%0.23641%0.412CS..Hα-helixtrans-68.7-38.9176.2172.70000111.2P3 T4 I10 V11P3-V7 WeakPolarHBondContact O-CG2 3.49Å; P3-V7 PolarHBondContact O-N 2.99Å; P3-V7 VanDerWaalsContact O-N 3.08Å; T4-V7 PolarHBondContact O-N 3.07Å; T4-V7 VanDerWaalsContact O-N 3.07Å; V7-I10 PolarHBondContact O-N 3.49Å; V7-V11 HydrophobicContact CG1-CG2 4.29Å; V7-V11 WeakPolarHBondContact O-CB 3.35Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 3.44Å
8E68.6Low73.2Confident113 Ų11373.6 Ų73.653%0.52841%0.405SS..Hα-helixtrans-63.1-47.3174.8-73.2179.416700111.5T4 I10 V11 E12T4-E8 PolarHBondContact O-N 3.25Å; E8-I10 VanDerWaalsContact C-N 3.29Å; E8-I10 PolarHBondContact O-N 3.39Å; E8-V11 PolarHBondContact O-N 2.77Å; E8-E12 PolarHBondContact O-N 3.04Å
9A73.8Confident73.5Confident47 Ų4772.3 Ų72.339%0.38840%0.402SS..Hα-helixtrans-57.2-42.6173.600000111.8A5 V11 E12 E13A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.49Å; A5-A9 PolarHBondContact O-N 3.08Å; A9-V11 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 3.2Å; A9-E12 PolarHBondContact O-N 3.46Å; A9-E13 WeakPolarHBondContact O-CG 3.35Å; A9-E13 PolarHBondContact O-N 3.47Å
10I78.4Confident73.7Confident65 Ų6576.2 Ų76.233%0.33342%0.418SS..Hα-helixtrans-67.6-33.7177.3-69.5164.6000112L6 V7 E8 E13 V14 V82L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CG-CD1 3.99Å; L6-I10 WeakPolarHBondContact O-CB 3.37Å; L6-I10 WeakPolarHBondContact O-CD1 3.46Å; L6-I10 WeakPolarHBondContact O-CG1 3.17Å; L6-I10 PolarHBondContact O-N 3.49Å; V7-I10 PolarHBondContact O-N 3.49Å; E8-I10 VanDerWaalsContact C-N 3.29Å; E8-I10 PolarHBondContact O-N 3.39Å; I10-E13 PolarHBondContact O-N 2.89Å; I10-V14 WeakPolarHBondContact O-CG2 3.16Å; I10-V14 PolarHBondContact O-N 3.35Å; I10-V82 HydrophobicContact CG2-CG1 4.28Å; I10-V82 HydrophobicContact CG2-CG2 3.6Å
11V75.9Confident73.9Confident22 Ų2275.5 Ų75.513%0.13342%0.417CS..Hα-helixtrans-68.2-39.8178.6167.30000111.2V7 E8 A9 E13 V14 A15 F22 V82V7-V11 HydrophobicContact CG1-CG2 4.29Å; V7-V11 WeakPolarHBondContact O-CB 3.35Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 3.44Å; E8-V11 PolarHBondContact O-N 2.77Å; A9-V11 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 3.2Å; V11-E13 VanDerWaalsContact C-N 3.29Å; V11-E13 PolarHBondContact O-N 3.44Å; V11-V14 WeakPolarHBondContact O-CG2 3.47Å; V11-V14 PolarHBondContact O-N 2.71Å; V11-A15 PolarHBondContact O-N 3.45Å; V11-F22 HydrophobicContact CG1-CE1 3.96Å; V11-F22 HydrophobicContact CG1-CZ 3.96Å; V11-F22 HydrophobicContact CG2-CE1 4.25Å; V11-F22 HydrophobicContact CG2-CZ 4.2Å; V11-V82 HydrophobicContact CG2-CG1 3.87Å
12E76Confident75.3Confident149 Ų14967.7 Ų67.770%0.69638%0.377SS*.Hα-helixtrans-59.8-41173.9-70-178.1169.200111.4E8 A9 V14 A15E8-E12 PolarHBondContact O-N 3.04Å; A9-E12 PolarHBondContact O-N 3.46Å; E12-V14 PolarHBondContact O-N 3.07Å; E12-A15 PolarHBondContact O-N 3.34Å
13E83.6Confident76.2Confident158 Ų15863.5 Ų63.574%0.73836%0.355SS*.Hα-helixtrans-67.4-19.1179.4-67-62.9145.400114.2A9 I10 V11A9-E13 WeakPolarHBondContact O-CG 3.35Å; A9-E13 PolarHBondContact O-N 3.47Å; I10-E13 PolarHBondContact O-N 2.89Å; V11-E13 VanDerWaalsContact C-N 3.29Å; V11-E13 PolarHBondContact O-N 3.44Å
14V87.3Confident77.3Confident5 Ų564.5 Ų64.53%0.0335%0.346CS..THydrogen-bonded Turntrans-110.77.5178.9-590000113.3I10 V11 E12 F22 L23 L75 V78 V79 V82I10-V14 WeakPolarHBondContact O-CG2 3.16Å; I10-V14 PolarHBondContact O-N 3.35Å; V11-V14 WeakPolarHBondContact O-CG2 3.47Å; V11-V14 PolarHBondContact O-N 2.71Å; E12-V14 PolarHBondContact O-N 3.07Å; V14-F22 HydrophobicContact CG2-CD1 3.69Å; V14-F22 HydrophobicContact CG2-CE1 3.66Å; V14-L23 WeakPolarHBondContact O-CG 3.4Å; V14-L23 PolarHBondContact O-N 3.48Å; V14-L23 VanDerWaalsContact O-N 3.07Å; V14-L75 HydrophobicContact CG1-CD1 4.4Å; V14-V78 HydrophobicContact CG1-CG1 4.05Å; V14-V79 HydrophobicContact CB-CG2 3.88Å; V14-V79 HydrophobicContact CG1-CG2 4.37Å; V14-V82 HydrophobicContact CG1-CG2 4.47Å; V14-V82 HydrophobicContact CG2-CB 4.33Å; V14-V82 HydrophobicContact CG2-CG1 3.97Å
15A83.2Confident78.7Confident29 Ų2968.8 Ų68.824%0.2436%0.362CS..BIsolated β-bridgetrans-81.8142.8173.200000110.6V11 E12 P17 T21V11-A15 PolarHBondContact O-N 3.45Å; E12-A15 PolarHBondContact O-N 3.34Å; A15-P17 WeakPolarHBondContact O-CD 3.47Å; A15-T21 CarbonylContact C-O 3.43Å; A15-T21 WeakPolarHBondContact CA-O 3.43Å
16C86Confident80Confident0 Ų066.6 Ų66.60%034%0.344CS..  trans-73.7124.1171.1-179.20000109I18 C19 M20 T21 L23 C36C16-I18 PolarHBondContact O-N 3.31Å; C16-I18 VanDerWaalsContact O-N 3.1Å; C16-C19 WeakPolarHBondContact CB-SG 3.25Å; C16-C19 VanDerWaalsContact SG-SG 3.66Å; C16-M20 WeakPolarHBondContact O-CA 3.26Å; C16-M20 PolarHBondContact O-N 3.38Å; C16-T21 WeakPolarHBondContact CB-O 3.43Å; C16-T21 PolarHBondContact N-O 3.33Å; C16-L23 HydrophobicContact CB-CD2 3.69Å; C16-L23 HydrophobicContact CB-CG 4.22Å; C16-C36 VanDerWaalsContact CB-SG 3.51Å; C16-C36 PolarHBondContact SG-N 3.33Å
17P83.3Confident81Confident51 Ų5163 Ų6333%0.33133%0.325SS..THydrogen-bonded Turntrans-66.7-13.3-179.5-18.929.3000114.8A15 F35 L59A15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-F35 HydrophobicContact CB-CE1 4.13Å; P17-F35 HydrophobicContact CG-CD1 4.21Å; P17-F35 HydrophobicContact CG-CE1 3.88Å; P17-L59 HydrophobicContact CB-CD1 4.07Å; P17-L59 HydrophobicContact CB-CD2 3.84Å; P17-L59 HydrophobicContact CB-CG 4.18Å; P17-L59 HydrophobicContact CG-CD1 3.7Å; P17-L59 HydrophobicContact CG-CD2 4.4Å; P17-L59 HydrophobicContact CG-CG 4.32Å
18I81.6Confident82Confident56 Ų5662.2 Ų62.229%0.28732%0.321SS..THydrogen-bonded Turntrans-90.4-54.3-179.1-61.2161.6000110.6C16 F35 C39 L43 P58C16-I18 PolarHBondContact O-N 3.31Å; C16-I18 VanDerWaalsContact O-N 3.1Å; I18-F35 HydrophobicContact CD1-CB 4.07Å; I18-F35 HydrophobicContact CD1-CD1 3.46Å; I18-F35 VanDerWaalsContact CD1-CD1 3.46Å; I18-F35 HydrophobicContact CD1-CE1 4.18Å; I18-F35 HydrophobicContact CD1-CG 3.96Å; I18-F35 HydrophobicContact CG1-CD1 3.78Å; I18-F35 HydrophobicContact CG1-CE1 4.2Å; I18-C39 HydrophobicContact CB-CB 3.94Å; I18-C39 HydrophobicContact CD1-CB 3.73Å; I18-C39 HydrophobicContact CG1-CB 4.47Å; I18-C39 HydrophobicContact CG2-CB 3.88Å; I18-L43 HydrophobicContact CB-CD1 4.49Å; I18-L43 HydrophobicContact CD1-CD1 3.62Å; I18-L43 HydrophobicContact CG1-CD1 3.88Å; I18-L43 HydrophobicContact CG2-CD1 3.75Å; I18-P58 HydrophobicContact CD1-CG 4.21Å
19C79.8Confident83Confident49 Ų4957.2 Ų57.233%0.33130%0.298SS..THydrogen-bonded Turntrans-93.9-5-177.8630000113.5C16 T21 C39C16-C19 WeakPolarHBondContact CB-SG 3.25Å; C16-C19 VanDerWaalsContact SG-SG 3.66Å; C19-T21 PolarHBondContact O-N 3.39Å; C19-T21 VanDerWaalsContact O-N 3.14Å; C19-T21 PolarHBondContact SG-OG1 3.39Å; C19-C39 VanDerWaalsContact SG-SG 3.63Å
20M76.4Confident83.6Confident150 Ų15058.6 Ų58.674%0.73930%0.299SS*.SBendtrans55.528.2179.2-55.3-62.4-7600113.5C16C16-M20 WeakPolarHBondContact O-CA 3.26Å; C16-M20 PolarHBondContact O-N 3.38Å
21T78.7Confident84.1Confident63 Ų6357.6 Ų57.639%0.38730%0.297SS..SBendtrans-126.6168176.161.40000110.2A15 C16 C19 L23A15-T21 CarbonylContact C-O 3.43Å; A15-T21 WeakPolarHBondContact CA-O 3.43Å; C16-T21 WeakPolarHBondContact CB-O 3.43Å; C16-T21 PolarHBondContact N-O 3.33Å; C19-T21 PolarHBondContact O-N 3.39Å; C19-T21 VanDerWaalsContact O-N 3.14Å; C19-T21 PolarHBondContact SG-OG1 3.39Å; T21-L23 PolarHBondContact O-N 3.47Å
22F81.9Confident84.7Confident45 Ų4559.3 Ų59.320%0.19732%0.319CS..BIsolated β-bridgetrans-49.5132.3177.1-73.8-66.2000112.2V11 V14 R24 V79 V82 R83V11-F22 HydrophobicContact CG1-CE1 3.96Å; V11-F22 HydrophobicContact CG1-CZ 3.96Å; V11-F22 HydrophobicContact CG2-CE1 4.25Å; V11-F22 HydrophobicContact CG2-CZ 4.2Å; V14-F22 HydrophobicContact CG2-CD1 3.69Å; V14-F22 HydrophobicContact CG2-CE1 3.66Å; F22-R24 PolarHBondContact O-N 3.2Å; F22-V79 HydrophobicContact CB-CG1 3.92Å; F22-V79 HydrophobicContact CD1-CG1 4.11Å; F22-V79 HydrophobicContact CG-CG1 4.33Å; F22-V82 HydrophobicContact CE1-CG1 3.99Å; F22-R83 HydrophobicContact CD1-CG 4.47Å; F22-R83 HydrophobicContact CD2-CG 4.15Å; F22-R83 HydrophobicContact CE2-CG 4.26Å; F22-R83 HydrophobicContact CG-CG 4.27Å; F22-R83 HydrophobicContact CZ-CG 4.48Å
23L83.9Confident85.4Confident6 Ų655.4 Ų55.43%0.03130%0.301CS..  trans-51.1126.3177.2-73.3160.9000111.5V14 C16 T21 P26 F35 L75 V79 R83V14-L23 WeakPolarHBondContact O-CG 3.4Å; V14-L23 PolarHBondContact O-N 3.48Å; V14-L23 VanDerWaalsContact O-N 3.07Å; C16-L23 HydrophobicContact CB-CD2 3.69Å; C16-L23 HydrophobicContact CB-CG 4.22Å; T21-L23 PolarHBondContact O-N 3.47Å; L23-P26 HydrophobicContact CB-CB 4.03Å; L23-P26 HydrophobicContact CB-CG 4.42Å; L23-P26 HydrophobicContact CD1-CB 4.31Å; L23-P26 HydrophobicContact CD2-CB 4.38Å; L23-P26 HydrophobicContact CG-CB 4.49Å; L23-F35 VanDerWaalsContact CD2-C 3.41Å; L23-L75 HydrophobicContact CD1-CD2 3.65Å; L23-L75 HydrophobicContact CD1-CG 4.07Å; L23-V79 HydrophobicContact CB-CG2 3.92Å; L23-V79 HydrophobicContact CD1-CG2 4.47Å; L23-R83 PolarHBondContact O-NH2 3.44Å
24R83.1Confident85.9Confident116 Ų11649 Ų4944%0.43827%0.274SS..SBendtrans-113.1123.3173.9-64.4-176.8-174.4-178.93107.7F22 C36 E250F22-R24 PolarHBondContact O-N 3.2Å; R24-C36 PolarHBondContact N-SG 3.18Å; R24-C36 VanDerWaalsContact O-CA 3.25Å; R24-C36 WeakPolarHBondContact O-CA 3.47Å; R24-C36 VanDerWaalsContact O-CB 3.3Å; R24-C36 WeakPolarHBondContact O-CB 3.29Å; R24-E250 IonicContact NH2-OE2 3.36Å; R24-E250 PolarHBondContact NH2-OE2 3Å
25E85.3Confident86.1Confident152 Ų15248.8 Ų48.871%0.7127%0.272SS*.SBendtrans48.159.8-172.8-58.7177127.200111.2V27 H37E25-V27 PolarHBondContact O-N 3.47Å; E25-H37 HydrophobicContact CB-CB 4.23Å; E25-H37 WeakPolarHBondContact O-CB 3.37Å; E25-H37 PolarHBondContact O-N 2.98Å; E25-H37 VanDerWaalsContact O-N 3.1Å
26P91.8Very high86.6Confident3 Ų347.5 Ų47.52%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-58.3129.6-175.119.9-29.9000111.4L23 F35 N72 L75 A76L23-P26 HydrophobicContact CB-CB 4.03Å; L23-P26 HydrophobicContact CB-CG 4.42Å; L23-P26 HydrophobicContact CD1-CB 4.31Å; L23-P26 HydrophobicContact CD2-CB 4.38Å; L23-P26 HydrophobicContact CG-CB 4.49Å; P26-F35 CarbonylContact C-O 3.45Å; P26-F35 VanDerWaalsContact CA-O 3.31Å; P26-F35 WeakPolarHBondContact CA-O 3.39Å; P26-N72 PolarHBondContact O-N 3.07Å; P26-L75 HydrophobicContact CB-CB 4.49Å; P26-L75 HydrophobicContact CB-CD2 4.05Å; P26-L75 HydrophobicContact CB-CG 4.27Å; P26-L75 HydrophobicContact CG-CB 4.24Å; P26-L75 HydrophobicContact CG-CG 4.31Å; P26-A76 HydrophobicContact CG-CB 3.75Å
27V91.4Very high86.7Confident4 Ų451.3 Ų51.32%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-111.8129.1168.7-69.30000109.6E25 S34 F35 H37 L40 L69 R70E25-V27 PolarHBondContact O-N 3.47Å; V27-S34 WeakPolarHBondContact O-CA 3.41Å; V27-F35 WeakPolarHBondContact CG2-O 3.28Å; V27-F35 PolarHBondContact N-O 3.09Å; V27-F35 PolarHBondContact O-N 2.71Å; V27-H37 HydrophobicContact CG1-CB 4.04Å; V27-L40 HydrophobicContact CG2-CD2 3.88Å; V27-L69 HydrophobicContact CG2-CD2 4.43Å; V27-R70 WeakPolarHBondContact CA-O 3.36Å
28S92Very high86.9Confident24 Ų2452.4 Ų52.417%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-87.8135.9168.4-61.70000109.4H33 S34 R70 N72S28-H33 WeakPolarHBondContact CA-O 3.19Å; S28-S34 PolarHBondContact OG-OG 2.69Å; S28-R70 PolarHBondContact N-O 3.07Å; S28-R70 PolarHBondContact O-N 3.42Å; S28-N72 PolarHBondContact OG-ND2 2.95Å
29I90.2Very high87.1Confident8 Ų851 Ų514%0.04128%0.282CS..  trans-103.1172.1174.657.5166.4000111.7C31 G32 H33 F35 L40 W44 C57 V64 L69I29-C31 WeakPolarHBondContact CD1-SG 3.41Å; I29-C31 PolarHBondContact O-N 3.28Å; I29-G32 PolarHBondContact O-N 3.48Å; I29-H33 HydrophobicContact CD1-CB 4.48Å; I29-H33 HydrophobicContact CG1-CB 4.33Å; I29-H33 WeakPolarHBondContact CG1-O 3.39Å; I29-H33 PolarHBondContact N-O 3.39Å; I29-F35 HydrophobicContact CD1-CD2 4.36Å; I29-F35 HydrophobicContact CD1-CE2 3.69Å; I29-F35 HydrophobicContact CG1-CD2 4.5Å; I29-F35 HydrophobicContact CG1-CE2 4.11Å; I29-L40 HydrophobicContact CG2-CD2 3.53Å; I29-W44 HydrophobicContact CG2-CH2 4.43Å; I29-C57 HydrophobicContact CD1-CB 3.45Å; I29-C57 VanDerWaalsContact CD1-CB 3.45Å; I29-V64 HydrophobicContact CB-CG1 3.85Å; I29-V64 HydrophobicContact CB-CG2 4.2Å; I29-V64 HydrophobicContact CD1-CG2 3.66Å; I29-V64 HydrophobicContact CG1-CG2 4.46Å; I29-V64 HydrophobicContact CG2-CG1 3.93Å; I29-L69 HydrophobicContact CG2-CD2 3.56Å
30D86.1Confident87.4Confident75 Ų7548.7 Ų48.740%0.40127%0.267SS..THydrogen-bonded Turntrans-53.4-32-172.5-65.8-47.5000113.9G32 Q65 N68D30-G32 VanDerWaalsContact C-N 3.28Å; D30-G32 PolarHBondContact O-N 2.78Å; D30-Q65 PolarHBondContact OD2-N 3.17Å; D30-N68 VanDerWaalsContact OD1-CB 3.26Å; D30-N68 WeakPolarHBondContact OD1-CB 3.16Å; D30-N68 PolarHBondContact OD1-ND2 3.47Å; D30-N68 VanDerWaalsContact OD1-ND2 3.13Å
31C89.6Confident87.8Confident45 Ų4542.7 Ų42.730%0.30424%0.24SC..THydrogen-bonded Turntrans-83.54.6178.374.10000114.5I29 H33 C60 A62I29-C31 WeakPolarHBondContact CD1-SG 3.41Å; I29-C31 PolarHBondContact O-N 3.28Å; C31-H33 PolarHBondContact O-N 3.49Å; C31-H33 PolarHBondContact SG-ND1 3.23Å; C31-C60 PolarHBondContact SG-SG 3.33Å; C31-A62 HydrophobicContact CB-CB 3.75Å
32G87.1Confident87.8Confident57 Ų5741.6 Ų41.659%0.58824%0.241SC*.SBendtrans85.3-7.9177.700000116.2I29 D30I29-G32 PolarHBondContact O-N 3.48Å; D30-G32 VanDerWaalsContact C-N 3.28Å; D30-G32 PolarHBondContact O-N 2.78Å
33H91.8Very high87.6Confident67 Ų6743.1 Ų43.131%0.3125%0.251SS..  trans-73.2148.4175.9-69.2111.6000111.3S28 I29 C31 F35 L59S28-H33 WeakPolarHBondContact CA-O 3.19Å; I29-H33 HydrophobicContact CD1-CB 4.48Å; I29-H33 HydrophobicContact CG1-CB 4.33Å; I29-H33 WeakPolarHBondContact CG1-O 3.39Å; I29-H33 PolarHBondContact N-O 3.39Å; C31-H33 PolarHBondContact O-N 3.49Å; C31-H33 PolarHBondContact SG-ND1 3.23Å; H33-F35 HydrophobicContact CB-CE2 3.61Å; H33-F35 HydrophobicContact CB-CZ 3.81Å; H33-L59 HydrophobicContact CB-CD1 4.27Å; H33-L59 VanDerWaalsContact CD2-CD1 3.41Å; H33-L59 WeakPolarHBondContact CD2-CD1 3.37Å
34S92.8Very high87.3Confident24 Ų2445.3 Ų45.317%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-117.4137.5-178.2-59.10000111.6V27 S28 L75V27-S34 WeakPolarHBondContact O-CA 3.41Å; S28-S34 PolarHBondContact OG-OG 2.69Å; S34-L75 VanDerWaalsContact CB-CD2 3.45Å; S34-L75 WeakPolarHBondContact OG-CD2 3.47Å
35F92.9Very high86.5Confident0 Ų046.8 Ų46.80%027%0.271CS..EExtended strand (participates in β ladder)trans-138.8161.7-179.8-55.9-82.2000110.4P17 I18 L23 P26 V27 I29 H33 H37 L40 P58 L59P17-F35 HydrophobicContact CB-CE1 4.13Å; P17-F35 HydrophobicContact CG-CD1 4.21Å; P17-F35 HydrophobicContact CG-CE1 3.88Å; I18-F35 HydrophobicContact CD1-CB 4.07Å; I18-F35 HydrophobicContact CD1-CD1 3.46Å; I18-F35 VanDerWaalsContact CD1-CD1 3.46Å; I18-F35 HydrophobicContact CD1-CE1 4.18Å; I18-F35 HydrophobicContact CD1-CG 3.96Å; I18-F35 HydrophobicContact CG1-CD1 3.78Å; I18-F35 HydrophobicContact CG1-CE1 4.2Å; L23-F35 VanDerWaalsContact CD2-C 3.41Å; P26-F35 CarbonylContact C-O 3.45Å; P26-F35 VanDerWaalsContact CA-O 3.31Å; P26-F35 WeakPolarHBondContact CA-O 3.39Å; V27-F35 WeakPolarHBondContact CG2-O 3.28Å; V27-F35 PolarHBondContact N-O 3.09Å; V27-F35 PolarHBondContact O-N 2.71Å; I29-F35 HydrophobicContact CD1-CD2 4.36Å; I29-F35 HydrophobicContact CD1-CE2 3.69Å; I29-F35 HydrophobicContact CG1-CD2 4.5Å; I29-F35 HydrophobicContact CG1-CE2 4.11Å; H33-F35 HydrophobicContact CB-CE2 3.61Å; H33-F35 HydrophobicContact CB-CZ 3.81Å; F35-H37 PolarHBondContact O-N 3.24Å; F35-L40 HydrophobicContact CB-CB 4.31Å; F35-L40 HydrophobicContact CD2-CD1 4.21Å; F35-L40 HydrophobicContact CD2-CD2 4.45Å; F35-L40 HydrophobicContact CG-CD1 4.46Å; F35-P58 HydrophobicContact CE1-CB 4.33Å; F35-P58 HydrophobicContact CE1-CG 4.3Å; F35-P58 HydrophobicContact CZ-CB 4.43Å; F35-P58 HydrophobicContact CZ-CG 4.27Å; F35-L59 HydrophobicContact CE1-CD1 4.1Å; F35-L59 HydrophobicContact CE1-CG 4Å; F35-L59 HydrophobicContact CZ-CB 4.43Å; F35-L59 HydrophobicContact CZ-CD1 3.94Å; F35-L59 HydrophobicContact CZ-CG 3.89Å
36C92.8Very high85Confident2 Ų245.8 Ų45.81%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-62.9136.9165.6-55.90000109.2C16 R24 S38 C39 L40C16-C36 VanDerWaalsContact CB-SG 3.51Å; C16-C36 PolarHBondContact SG-N 3.33Å; R24-C36 PolarHBondContact N-SG 3.18Å; R24-C36 VanDerWaalsContact O-CA 3.25Å; R24-C36 WeakPolarHBondContact O-CA 3.47Å; R24-C36 VanDerWaalsContact O-CB 3.3Å; R24-C36 WeakPolarHBondContact O-CB 3.29Å; C36-S38 VanDerWaalsContact C-N 3.29Å; C36-S38 PolarHBondContact O-N 3.45Å; C36-C39 HydrophobicContact CB-CB 3.92Å; C36-C39 PolarHBondContact O-N 3.11Å; C36-C39 VanDerWaalsContact O-N 3.1Å; C36-L40 PolarHBondContact O-N 3.21Å
37H88.7Confident82.6Confident81 Ų8151.5 Ų51.538%0.37531%0.306SS..Hα-helixtrans-50.4-51.1175.7178.6-87.3000111.4E25 V27 F35 C39 L40 S41E25-H37 HydrophobicContact CB-CB 4.23Å; E25-H37 WeakPolarHBondContact O-CB 3.37Å; E25-H37 PolarHBondContact O-N 2.98Å; E25-H37 VanDerWaalsContact O-N 3.1Å; V27-H37 HydrophobicContact CG1-CB 4.04Å; F35-H37 PolarHBondContact O-N 3.24Å; H37-C39 VanDerWaalsContact C-N 3.34Å; H37-C39 PolarHBondContact O-N 3.49Å; H37-L40 PolarHBondContact O-N 2.96Å; H37-S41 PolarHBondContact CE1-OG 3.26Å; H37-S41 WeakPolarHBondContact O-CB 3.14Å; H37-S41 PolarHBondContact O-N 3.35Å; H37-S41 PolarHBondContact O-OG 3.21Å; H37-S41 VanDerWaalsContact O-OG 3.09Å
38S86.9Confident80.2Confident74 Ų7454.6 Ų54.652%0.51734%0.339SS..Hα-helixtrans-62-36.3179.656.40000114C36 G42C36-S38 VanDerWaalsContact C-N 3.29Å; C36-S38 PolarHBondContact O-N 3.45Å; S38-G42 PolarHBondContact O-N 3.24Å
39C86.3Confident77.6Confident25 Ų2562.4 Ų62.417%0.16937%0.373CS..Hα-helixtrans-68.8-38.9178-66.60000111.8I18 C19 C36 H37 L43I18-C39 HydrophobicContact CB-CB 3.94Å; I18-C39 HydrophobicContact CD1-CB 3.73Å; I18-C39 HydrophobicContact CG1-CB 4.47Å; I18-C39 HydrophobicContact CG2-CB 3.88Å; C19-C39 VanDerWaalsContact SG-SG 3.63Å; C36-C39 HydrophobicContact CB-CB 3.92Å; C36-C39 PolarHBondContact O-N 3.11Å; C36-C39 VanDerWaalsContact O-N 3.1Å; H37-C39 VanDerWaalsContact C-N 3.34Å; H37-C39 PolarHBondContact O-N 3.49Å; C39-L43 PolarHBondContact O-N 3.49Å
40L86.8Confident75.1Confident1 Ų167.7 Ų67.71%0.00541%0.41CS..Hα-helixtrans-74.4-42.9179.6-166.764.3000111.5V27 I29 F35 C36 H37 L43 W44 P58 L69V27-L40 HydrophobicContact CG2-CD2 3.88Å; I29-L40 HydrophobicContact CG2-CD2 3.53Å; F35-L40 HydrophobicContact CB-CB 4.31Å; F35-L40 HydrophobicContact CD2-CD1 4.21Å; F35-L40 HydrophobicContact CD2-CD2 4.45Å; F35-L40 HydrophobicContact CG-CD1 4.46Å; C36-L40 PolarHBondContact O-N 3.21Å; H37-L40 PolarHBondContact O-N 2.96Å; L40-L43 PolarHBondContact O-N 3.3Å; L40-W44 HydrophobicContact CD1-CD2 4.37Å; L40-W44 HydrophobicContact CD1-CH2 4.23Å; L40-W44 HydrophobicContact CD1-CZ2 3.63Å; L40-W44 HydrophobicContact CD2-CH2 3.59Å; L40-W44 HydrophobicContact CD2-CZ2 3.86Å; L40-W44 HydrophobicContact CD2-CZ3 4Å; L40-W44 HydrophobicContact CG-CD2 4.09Å; L40-W44 HydrophobicContact CG-CE3 4.14Å; L40-W44 HydrophobicContact CG-CH2 3.8Å; L40-W44 HydrophobicContact CG-CZ2 3.7Å; L40-W44 HydrophobicContact CG-CZ3 4.02Å; L40-W44 PolarHBondContact O-N 2.64Å; L40-W44 VanDerWaalsContact O-N 3.15Å; L40-P58 HydrophobicContact CD1-CG 4.12Å; L40-L69 HydrophobicContact CD2-CD2 3.5Å
41S83.2Confident73.2Confident25 Ų2573 Ų7318%0.17543%0.433CS..Hα-helixtrans-59.5-46.8173.6-61.40000111.8H37 L43 W44 E45H37-S41 PolarHBondContact CE1-OG 3.26Å; H37-S41 WeakPolarHBondContact O-CB 3.14Å; H37-S41 PolarHBondContact O-N 3.35Å; H37-S41 PolarHBondContact O-OG 3.21Å; H37-S41 VanDerWaalsContact O-OG 3.09Å; S41-L43 VanDerWaalsContact C-N 3.26Å; S41-L43 PolarHBondContact O-N 2.78Å; S41-W44 PolarHBondContact O-N 2.73Å; S41-W44 VanDerWaalsContact O-N 3.09Å; S41-E45 WeakPolarHBondContact O-CB 3.34Å; S41-E45 WeakPolarHBondContact O-CG 3.44Å; S41-E45 PolarHBondContact O-N 3.3Å
42G80.1Confident70.9Confident40 Ų4078.3 Ų78.341%0.41246%0.458SS..Hα-helixtrans-64.2-2817900000114.1S38S38-G42 PolarHBondContact O-N 3.24Å
43L77.1Confident69Low77 Ų7784.2 Ų84.240%0.40346%0.463SS..Hα-helixtrans-74.5-32.4173.6-110142.9000112.6I18 C39 L40 S41 P58I18-L43 HydrophobicContact CB-CD1 4.49Å; I18-L43 HydrophobicContact CD1-CD1 3.62Å; I18-L43 HydrophobicContact CG1-CD1 3.88Å; I18-L43 HydrophobicContact CG2-CD1 3.75Å; C39-L43 PolarHBondContact O-N 3.49Å; L40-L43 PolarHBondContact O-N 3.3Å; S41-L43 VanDerWaalsContact C-N 3.26Å; S41-L43 PolarHBondContact O-N 2.78Å; L43-P58 HydrophobicContact CD1-CG 4.32Å
44W77.6Confident67.7Low52 Ų5283.3 Ų83.320%0.19747%0.472CS..Hα-helixtrans-89.7-12.1-178.5-66-16.6000114I29 L40 S41 Y55 V64 L69I29-W44 HydrophobicContact CG2-CH2 4.43Å; L40-W44 HydrophobicContact CD1-CD2 4.37Å; L40-W44 HydrophobicContact CD1-CH2 4.23Å; L40-W44 HydrophobicContact CD1-CZ2 3.63Å; L40-W44 HydrophobicContact CD2-CH2 3.59Å; L40-W44 HydrophobicContact CD2-CZ2 3.86Å; L40-W44 HydrophobicContact CD2-CZ3 4Å; L40-W44 HydrophobicContact CG-CD2 4.09Å; L40-W44 HydrophobicContact CG-CE3 4.14Å; L40-W44 HydrophobicContact CG-CH2 3.8Å; L40-W44 HydrophobicContact CG-CZ2 3.7Å; L40-W44 HydrophobicContact CG-CZ3 4.02Å; L40-W44 PolarHBondContact O-N 2.64Å; L40-W44 VanDerWaalsContact O-N 3.15Å; S41-W44 PolarHBondContact O-N 2.73Å; S41-W44 VanDerWaalsContact O-N 3.09Å; W44-Y55 HydrophobicContact CB-CD1 4.04Å; W44-Y55 HydrophobicContact CB-CE1 4.21Å; W44-Y55 AromaticContact CD2-CD1 3.65Å; W44-Y55 HydrophobicContact CD2-CD1 3.65Å; W44-Y55 HydrophobicContact CD2-CE1 4.48Å; W44-Y55 AromaticContact CE3-CD1 3.74Å; W44-Y55 HydrophobicContact CE3-CD1 3.74Å; W44-Y55 HydrophobicContact CE3-CE1 4.35Å; W44-Y55 AromaticContact CG-CD1 3.8Å; W44-Y55 HydrophobicContact CG-CD1 3.8Å; W44-Y55 HydrophobicContact CG-CE1 4.45Å; W44-Y55 HydrophobicContact CZ3-CD1 4.31Å; W44-V64 HydrophobicContact CH2-CB 4.19Å; W44-V64 HydrophobicContact CH2-CG1 3.63Å; W44-V64 HydrophobicContact CZ2-CB 4.08Å; W44-V64 HydrophobicContact CZ2-CG1 3.99Å; W44-V64 HydrophobicContact CZ2-CG2 4.39Å; W44-L69 HydrophobicContact CH2-CD2 3.61Å; W44-L69 HydrophobicContact CH2-CG 4.38Å; W44-L69 HydrophobicContact CZ3-CD1 3.88Å; W44-L69 HydrophobicContact CZ3-CD2 3.71Å; W44-L69 HydrophobicContact CZ3-CG 4.02Å
45E66.1Low66.9Low146 Ų14687.9 Ų87.968%0.68249%0.486SS*.  trans-86.5-1.1179.2-79.6175.3-172.400114.6S41 P47S41-E45 WeakPolarHBondContact O-CB 3.34Å; S41-E45 WeakPolarHBondContact O-CG 3.44Å; S41-E45 PolarHBondContact O-N 3.3Å; E45-P47 WeakPolarHBondContact O-CD 3.32Å; E45-P47 WeakPolarHBondContact O-CG 3.35Å
46I54Low66.5Low131 Ų13189.4 Ų89.467%0.67250%0.495SS*.  trans-72111.1178.9-55.6172.4000109.9
47P41.8Very low66.2Low123 Ų12389.3 Ų89.380%0.79950%0.495SS*.  trans-92.7122.8-177.36.514.4000111.1E45E45-P47 WeakPolarHBondContact O-CD 3.32Å; E45-P47 WeakPolarHBondContact O-CG 3.35Å
48G40.8Very low66Low70 Ų7088 Ų8872%0.72249%0.494SS*.  trans110.698.4156.400000115.5
49E38.1Very low65.9Low187 Ų18788.7 Ų88.787%0.87449%0.491SS*.SBend172.7126.1112.4-92.7177.3-171.900109.2
50S36.6Very low65.9Low119 Ų11990.5 Ų90.583%0.83250%0.503SS*.  trans66.3121.1176.772.70000117.4N52S50-N52 PolarHBondContact O-N 3.32Å; S50-N52 VanDerWaalsContact O-N 3.1Å
51Q46.3Very low65.8Low188 Ų18899 Ų9988%0.87954%0.535SS*.THydrogen-bonded Turntrans-54.2108.9166.3-70.9148.2-24.800110.2
52N41.2Very low65.9Low156 Ų15699.1 Ų99.183%0.83454%0.538SS*.THydrogen-bonded Turntrans174.6-9.6135.9-97.5-14.6000116.5S50 G54S50-N52 PolarHBondContact O-N 3.32Å; S50-N52 VanDerWaalsContact O-N 3.1Å; N52-G54 VanDerWaalsContact C-N 3.33Å; N52-G54 PolarHBondContact O-N 3.03Å
53W47.9Very low66Low180 Ų180102.3 Ų102.368%0.68255%0.551SS**  trans-91.970172.5-84.992.1000110.9T56 R61W53-T56 HydrophobicContact CE3-CG2 3.68Å; W53-T56 HydrophobicContact CZ3-CG2 3.75Å; W53-R61 HydrophobicContact CH2-CB 3.8Å; W53-R61 HydrophobicContact CH2-CG 4Å; W53-R61 HydrophobicContact CZ3-CB 3.83Å; W53-R61 HydrophobicContact CZ3-CG 4.09Å
54G63.3Low66.1Low48 Ų4899 Ų9950%0.49554%0.535SS..  trans-55172.717000000112N52 T56N52-G54 VanDerWaalsContact C-N 3.33Å; N52-G54 PolarHBondContact O-N 3.03Å; G54-T56 WeakPolarHBondContact O-CG2 3.44Å; G54-T56 PolarHBondContact O-N 2.89Å; G54-T56 PolarHBondContact O-OG1 3.47Å
55Y76.1Confident66.3Low120 Ų120102.4 Ų102.447%0.47155%0.552SS.*SBendtrans-43.4101177.1-52.5-82.9000111.2W44 V64 P66W44-Y55 HydrophobicContact CB-CD1 4.04Å; W44-Y55 HydrophobicContact CB-CE1 4.21Å; W44-Y55 AromaticContact CD2-CD1 3.65Å; W44-Y55 HydrophobicContact CD2-CD1 3.65Å; W44-Y55 HydrophobicContact CD2-CE1 4.48Å; W44-Y55 AromaticContact CE3-CD1 3.74Å; W44-Y55 HydrophobicContact CE3-CD1 3.74Å; W44-Y55 HydrophobicContact CE3-CE1 4.35Å; W44-Y55 AromaticContact CG-CD1 3.8Å; W44-Y55 HydrophobicContact CG-CD1 3.8Å; W44-Y55 HydrophobicContact CG-CE1 4.45Å; W44-Y55 HydrophobicContact CZ3-CD1 4.31Å; Y55-V64 VanDerWaalsContact CB-O 3.29Å; Y55-V64 WeakPolarHBondContact CB-O 3.44Å; Y55-V64 WeakPolarHBondContact O-CA 3.35Å; Y55-V64 WeakPolarHBondContact O-CB 3.35Å; Y55-V64 PolarHBondContact O-N 2.89Å; Y55-V64 VanDerWaalsContact O-O 3.06Å; Y55-P66 HydrophobicContact CD1-CB 4.43Å; Y55-P66 HydrophobicContact CD1-CG 3.4Å; Y55-P66 VanDerWaalsContact CD2-CD 3.46Å; Y55-P66 HydrophobicContact CD2-CG 3.25Å; Y55-P66 HydrophobicContact CE1-CB 4.3Å; Y55-P66 HydrophobicContact CE1-CG 3.39Å; Y55-P66 HydrophobicContact CE2-CG 3.27Å; Y55-P66 HydrophobicContact CG-CG 3.3Å
56T84.6Confident66.6Low32 Ų3297.9 Ų97.920%0.19654%0.536CS..BIsolated β-bridgetrans-124.1152.8-176.955.70000110.5W53 G54 P58 A62W53-T56 HydrophobicContact CE3-CG2 3.68Å; W53-T56 HydrophobicContact CZ3-CG2 3.75Å; G54-T56 WeakPolarHBondContact O-CG2 3.44Å; G54-T56 PolarHBondContact O-N 2.89Å; G54-T56 PolarHBondContact O-OG1 3.47Å; T56-P58 WeakPolarHBondContact O-CD 3.41Å; T56-A62 CarbonylContact C-O 3.54Å; T56-A62 VanDerWaalsContact CA-O 3.27Å; T56-A62 WeakPolarHBondContact CA-O 3.25Å
57C86Confident67.5Low0 Ų0103 Ų1030%055%0.547CS..  trans-62.3126.5173.4178.20000111.2I29 L59 C60 R61 A62 V64I29-C57 HydrophobicContact CD1-CB 3.45Å; I29-C57 VanDerWaalsContact CD1-CB 3.45Å; C57-L59 PolarHBondContact O-N 3.22Å; C57-L59 PolarHBondContact SG-N 3.06Å; C57-L59 VanDerWaalsContact SG-N 3.35Å; C57-C60 PolarHBondContact SG-N 3.27Å; C57-C60 VanDerWaalsContact SG-N 3.45Å; C57-R61 WeakPolarHBondContact O-CA 3.47Å; C57-R61 PolarHBondContact O-N 3.14Å; C57-A62 HydrophobicContact CB-CB 4.5Å; C57-A62 PolarHBondContact N-O 3.45Å; C57-V64 HydrophobicContact CB-CG2 4.37Å
58P84.7Confident69.1Low54 Ų5499.6 Ų99.635%0.35152%0.522SS..THydrogen-bonded Turntrans-61.3-24.8175.9-26.736.3000114.7I18 F35 L40 L43 T56I18-P58 HydrophobicContact CD1-CG 4.21Å; F35-P58 HydrophobicContact CE1-CB 4.33Å; F35-P58 HydrophobicContact CE1-CG 4.3Å; F35-P58 HydrophobicContact CZ-CB 4.43Å; F35-P58 HydrophobicContact CZ-CG 4.27Å; L40-P58 HydrophobicContact CD1-CG 4.12Å; L43-P58 HydrophobicContact CD1-CG 4.32Å; T56-P58 WeakPolarHBondContact O-CD 3.41Å
59L84.9Confident71.1Confident89 Ų8998.1 Ų98.147%0.46650%0.497SS..THydrogen-bonded Turntrans-89.1-56.7-178.3-72177.9000113P17 H33 F35 C57P17-L59 HydrophobicContact CB-CD1 4.07Å; P17-L59 HydrophobicContact CB-CD2 3.84Å; P17-L59 HydrophobicContact CB-CG 4.18Å; P17-L59 HydrophobicContact CG-CD1 3.7Å; P17-L59 HydrophobicContact CG-CD2 4.4Å; P17-L59 HydrophobicContact CG-CG 4.32Å; H33-L59 HydrophobicContact CB-CD1 4.27Å; H33-L59 VanDerWaalsContact CD2-CD1 3.41Å; H33-L59 WeakPolarHBondContact CD2-CD1 3.37Å; F35-L59 HydrophobicContact CE1-CD1 4.1Å; F35-L59 HydrophobicContact CE1-CG 4Å; F35-L59 HydrophobicContact CZ-CB 4.43Å; F35-L59 HydrophobicContact CZ-CD1 3.94Å; F35-L59 HydrophobicContact CZ-CG 3.89Å; C57-L59 PolarHBondContact O-N 3.22Å; C57-L59 PolarHBondContact SG-N 3.06Å; C57-L59 VanDerWaalsContact SG-N 3.35Å
60C87.1Confident73.3Confident63 Ų6397.3 Ų97.343%0.42649%0.486SS..THydrogen-bonded Turntrans-106.6-0.2-172.767.90000114.1C31 C57 A62C31-C60 PolarHBondContact SG-SG 3.33Å; C57-C60 PolarHBondContact SG-N 3.27Å; C57-C60 VanDerWaalsContact SG-N 3.45Å; C60-A62 PolarHBondContact O-N 3.49Å
61R83.4Confident75.7Confident178 Ų17895 Ų9567%0.67247%0.468SS*.  trans60.411.6179.4-58.5179.1-179.4-171.5-0.6115.2W53 C57W53-R61 HydrophobicContact CH2-CB 3.8Å; W53-R61 HydrophobicContact CH2-CG 4Å; W53-R61 HydrophobicContact CZ3-CB 3.83Å; W53-R61 HydrophobicContact CZ3-CG 4.09Å; C57-R61 WeakPolarHBondContact O-CA 3.47Å; C57-R61 PolarHBondContact O-N 3.14Å
62A85.4Confident77.6Confident28 Ų2887.8 Ų87.823%0.23144%0.436CS..  trans-61.5142.8173.400000110.7C31 T56 C57 C60C31-A62 HydrophobicContact CB-CB 3.75Å; T56-A62 CarbonylContact C-O 3.54Å; T56-A62 VanDerWaalsContact CA-O 3.27Å; T56-A62 WeakPolarHBondContact CA-O 3.25Å; C57-A62 HydrophobicContact CB-CB 4.5Å; C57-A62 PolarHBondContact N-O 3.45Å; C60-A62 PolarHBondContact O-N 3.49Å
63P83.8Confident79.1Confident107 Ų10789.1 Ų89.170%0.69543%0.429SS*.BIsolated β-bridgetrans-65.1142.8174.928.2-33.9000110.5
64V79Confident80.3Confident9 Ų987 Ų876%0.05543%0.427CS..  trans-128.3141.6-176.8-174.50000108.2I29 W44 Y55 C57I29-V64 HydrophobicContact CB-CG1 3.85Å; I29-V64 HydrophobicContact CB-CG2 4.2Å; I29-V64 HydrophobicContact CD1-CG2 3.66Å; I29-V64 HydrophobicContact CG1-CG2 4.46Å; I29-V64 HydrophobicContact CG2-CG1 3.93Å; W44-V64 HydrophobicContact CH2-CB 4.19Å; W44-V64 HydrophobicContact CH2-CG1 3.63Å; W44-V64 HydrophobicContact CZ2-CB 4.08Å; W44-V64 HydrophobicContact CZ2-CG1 3.99Å; W44-V64 HydrophobicContact CZ2-CG2 4.39Å; Y55-V64 VanDerWaalsContact CB-O 3.29Å; Y55-V64 WeakPolarHBondContact CB-O 3.44Å; Y55-V64 WeakPolarHBondContact O-CA 3.35Å; Y55-V64 WeakPolarHBondContact O-CB 3.35Å; Y55-V64 PolarHBondContact O-N 2.89Å; Y55-V64 VanDerWaalsContact O-O 3.06Å; C57-V64 HydrophobicContact CB-CG2 4.37Å
65Q80.4Confident81.3Confident122 Ų12286.2 Ų86.257%0.5741%0.411SS*.  trans-96.6126.7167.2-63-170.14.100109.8D30 R67 N68D30-Q65 PolarHBondContact OD2-N 3.17Å; Q65-R67 PolarHBondContact O-N 3.03Å; Q65-R67 VanDerWaalsContact O-N 3.12Å; Q65-N68 HydrophobicContact CB-CB 4.25Å; Q65-N68 WeakPolarHBondContact O-CA 3.47Å; Q65-N68 WeakPolarHBondContact O-CB 3.4Å; Q65-N68 PolarHBondContact O-N 2.83Å
66P72.6Confident81.2Confident51 Ų5182 Ų8233%0.33140%0.401SS..G310 helixtrans-57.8-30.6-179.7-26.933.8000114Y55 N68 L69Y55-P66 HydrophobicContact CD1-CB 4.43Å; Y55-P66 HydrophobicContact CD1-CG 3.4Å; Y55-P66 VanDerWaalsContact CD2-CD 3.46Å; Y55-P66 HydrophobicContact CD2-CG 3.25Å; Y55-P66 HydrophobicContact CE1-CB 4.3Å; Y55-P66 HydrophobicContact CE1-CG 3.39Å; Y55-P66 HydrophobicContact CE2-CG 3.27Å; Y55-P66 HydrophobicContact CG-CG 3.3Å; P66-N68 PolarHBondContact O-N 3.41Å; P66-L69 WeakPolarHBondContact O-CG 3.17Å; P66-L69 PolarHBondContact O-N 3.43Å
67R72.8Confident80.5Confident239 Ų23985.1 Ų85.190%0.90242%0.416SS*.G310 helixtrans-70.9-14176.9-65.1-174.2178.2-167.1-0.4112.9Q65Q65-R67 PolarHBondContact O-N 3.03Å; Q65-R67 VanDerWaalsContact O-N 3.12Å
68N76.7Confident80.3Confident52 Ų5288.3 Ų88.328%0.27844%0.436SS..G310 helixtrans-100.613.7-179.4-65.6-6.5000113.1D30 Q65 P66 R70D30-N68 VanDerWaalsContact OD1-CB 3.26Å; D30-N68 WeakPolarHBondContact OD1-CB 3.16Å; D30-N68 PolarHBondContact OD1-ND2 3.47Å; D30-N68 VanDerWaalsContact OD1-ND2 3.13Å; Q65-N68 HydrophobicContact CB-CB 4.25Å; Q65-N68 WeakPolarHBondContact O-CA 3.47Å; Q65-N68 WeakPolarHBondContact O-CB 3.4Å; Q65-N68 PolarHBondContact O-N 2.83Å; P66-N68 PolarHBondContact O-N 3.41Å; N68-R70 PolarHBondContact O-N 2.97Å; N68-R70 VanDerWaalsContact O-N 3.11Å
69L82.5Confident80.1Confident38 Ų3885.8 Ų85.820%0.19942%0.419CS..  trans-61.3116167-67-173.6000109.2V27 I29 L40 W44 P66 P71V27-L69 HydrophobicContact CG2-CD2 4.43Å; I29-L69 HydrophobicContact CG2-CD2 3.56Å; L40-L69 HydrophobicContact CD2-CD2 3.5Å; W44-L69 HydrophobicContact CH2-CD2 3.61Å; W44-L69 HydrophobicContact CH2-CG 4.38Å; W44-L69 HydrophobicContact CZ3-CD1 3.88Å; W44-L69 HydrophobicContact CZ3-CD2 3.71Å; W44-L69 HydrophobicContact CZ3-CG 4.02Å; P66-L69 WeakPolarHBondContact O-CG 3.17Å; P66-L69 PolarHBondContact O-N 3.43Å; L69-P71 WeakPolarHBondContact O-CD 3.49Å
70R85.2Confident79.5Confident170 Ų17086 Ų8664%0.64242%0.418SS*.EExtended strand (participates in β ladder)trans-106.8111.2179.8-67.6179.1-170.8-157.52.4109V27 S28 N68 N72V27-R70 WeakPolarHBondContact CA-O 3.36Å; S28-R70 PolarHBondContact N-O 3.07Å; S28-R70 PolarHBondContact O-N 3.42Å; N68-R70 PolarHBondContact O-N 2.97Å; N68-R70 VanDerWaalsContact O-N 3.11Å; R70-N72 PolarHBondContact O-N 3.16Å
71P85.9Confident78.9Confident70 Ų7089.7 Ų89.746%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-55.3127.2169.1-2434.1000110.1L69 W73L69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-W73 HydrophobicContact CB-CD2 4.5Å; P71-W73 HydrophobicContact CB-CZ2 3.82Å; P71-W73 HydrophobicContact CG-CZ2 4.38Å
72N86.2Confident78.5Confident38 Ų3881.6 Ų81.620%0.20340%0.397CS..  trans-104.478.7-177-168.9-19.7000109.9P26 S28 R70 Q74 L75 A76P26-N72 PolarHBondContact O-N 3.07Å; S28-N72 PolarHBondContact OG-ND2 2.95Å; R70-N72 PolarHBondContact O-N 3.16Å; N72-Q74 PolarHBondContact O-N 3.07Å; N72-L75 HydrophobicContact CB-CB 3.97Å; N72-L75 PolarHBondContact O-N 2.7Å; N72-L75 VanDerWaalsContact O-N 3.14Å; N72-L75 VanDerWaalsContact OD1-CB 3.32Å; N72-L75 WeakPolarHBondContact OD1-CB 3.43Å; N72-L75 PolarHBondContact OD1-N 3.07Å; N72-A76 PolarHBondContact O-N 3.14Å
73W71.8Confident77.6Confident184 Ų18483.2 Ų83.270%0.69740%0.397SS*.Hα-helixtrans-60.9-33.4-177.7-48.493.3000112.5P71 A76 N77P71-W73 HydrophobicContact CB-CD2 4.5Å; P71-W73 HydrophobicContact CB-CZ2 3.82Å; P71-W73 HydrophobicContact CG-CZ2 4.38Å; W73-A76 WeakPolarHBondContact O-CB 3.43Å; W73-A76 PolarHBondContact O-N 2.63Å; W73-N77 WeakPolarHBondContact O-CB 3.43Å; W73-N77 PolarHBondContact O-N 3.16Å; W73-N77 PolarHBondContact O-ND2 2.82Å
74Q74.6Confident76.6Confident135 Ų13581.6 Ų81.663%0.63138%0.383SS*.Hα-helixtrans-65.3-45175.2-67.686.9-2300110.9N72 A76 N77 V78N72-Q74 PolarHBondContact O-N 3.07Å; Q74-A76 VanDerWaalsContact C-N 3.35Å; Q74-N77 WeakPolarHBondContact O-CB 3.15Å; Q74-N77 PolarHBondContact O-N 3Å; Q74-V78 WeakPolarHBondContact O-CG2 3.15Å; Q74-V78 PolarHBondContact O-N 3.41Å
75L84.6Confident75.7Confident31 Ų3184.8 Ų84.816%0.16240%0.399CS..Hα-helixtrans-66.6-37.6175.4-174.757000111.6V14 L23 P26 S34 N72 N77 V78 V79V14-L75 HydrophobicContact CG1-CD1 4.4Å; L23-L75 HydrophobicContact CD1-CD2 3.65Å; L23-L75 HydrophobicContact CD1-CG 4.07Å; P26-L75 HydrophobicContact CB-CB 4.49Å; P26-L75 HydrophobicContact CB-CD2 4.05Å; P26-L75 HydrophobicContact CB-CG 4.27Å; P26-L75 HydrophobicContact CG-CB 4.24Å; P26-L75 HydrophobicContact CG-CG 4.31Å; S34-L75 VanDerWaalsContact CB-CD2 3.45Å; S34-L75 WeakPolarHBondContact OG-CD2 3.47Å; N72-L75 HydrophobicContact CB-CB 3.97Å; N72-L75 PolarHBondContact O-N 2.7Å; N72-L75 VanDerWaalsContact O-N 3.14Å; N72-L75 VanDerWaalsContact OD1-CB 3.32Å; N72-L75 WeakPolarHBondContact OD1-CB 3.43Å; N72-L75 PolarHBondContact OD1-N 3.07Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.24Å; L75-V78 PolarHBondContact O-N 2.62Å; L75-V78 VanDerWaalsContact O-N 3.17Å; L75-V79 HydrophobicContact CG-CG2 4.48Å; L75-V79 WeakPolarHBondContact O-CG2 3.34Å; L75-V79 PolarHBondContact O-N 3.36Å
76A73.2Confident74.5Confident31 Ų3184.3 Ų84.326%0.25639%0.392SS..Hα-helixtrans-58.2-43.9171.500000111.4P26 N72 W73 Q74 V78 V79 E80P26-A76 HydrophobicContact CG-CB 3.75Å; N72-A76 PolarHBondContact O-N 3.14Å; W73-A76 WeakPolarHBondContact O-CB 3.43Å; W73-A76 PolarHBondContact O-N 2.63Å; Q74-A76 VanDerWaalsContact C-N 3.35Å; A76-V78 PolarHBondContact O-N 3.45Å; A76-V79 PolarHBondContact O-N 2.75Å; A76-E80 WeakPolarHBondContact O-CB 3.25Å; A76-E80 PolarHBondContact O-N 3.32Å
77N69.6Low73Confident98 Ų9885.9 Ų85.952%0.52440%0.397SS..Hα-helixtrans-65.9-35.5175.6-70.9-27.4000112.7W73 Q74 L75 K81W73-N77 WeakPolarHBondContact O-CB 3.43Å; W73-N77 PolarHBondContact O-N 3.16Å; W73-N77 PolarHBondContact O-ND2 2.82Å; Q74-N77 WeakPolarHBondContact O-CB 3.15Å; Q74-N77 PolarHBondContact O-N 3Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.24Å; N77-K81 WeakPolarHBondContact O-CB 3.42Å; N77-K81 VanDerWaalsContact O-CG 3.25Å; N77-K81 WeakPolarHBondContact O-CG 3.46Å; N77-K81 PolarHBondContact O-N 2.95Å
78V82.1Confident71.2Confident67 Ų6779.7 Ų79.741%0.40638%0.378SS..Hα-helixtrans-68.4-46.2174.8171.60000110.4V14 Q74 L75 A76 E80 K81 V82V14-V78 HydrophobicContact CG1-CG1 4.05Å; Q74-V78 WeakPolarHBondContact O-CG2 3.15Å; Q74-V78 PolarHBondContact O-N 3.41Å; L75-V78 PolarHBondContact O-N 2.62Å; L75-V78 VanDerWaalsContact O-N 3.17Å; A76-V78 PolarHBondContact O-N 3.45Å; V78-E80 PolarHBondContact O-N 3.29Å; V78-K81 CarbonylContact O-C 3.58Å; V78-K81 PolarHBondContact O-N 3.1Å; V78-K81 VanDerWaalsContact O-N 3.14Å; V78-V82 HydrophobicContact CG1-CG2 4.22Å; V78-V82 WeakPolarHBondContact O-CB 3.21Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.35Å; V78-V82 PolarHBondContact O-N 2.79Å
79V79.7Confident69.3Low1 Ų182.6 Ų82.61%0.00640%0.4CS..Hα-helixtrans-55.4-44.3174173.70000110V14 F22 L23 L75 A76 V82 R83V14-V79 HydrophobicContact CB-CG2 3.88Å; V14-V79 HydrophobicContact CG1-CG2 4.37Å; F22-V79 HydrophobicContact CB-CG1 3.92Å; F22-V79 HydrophobicContact CD1-CG1 4.11Å; F22-V79 HydrophobicContact CG-CG1 4.33Å; L23-V79 HydrophobicContact CB-CG2 3.92Å; L23-V79 HydrophobicContact CD1-CG2 4.47Å; L75-V79 HydrophobicContact CG-CG2 4.48Å; L75-V79 WeakPolarHBondContact O-CG2 3.34Å; L75-V79 PolarHBondContact O-N 3.36Å; A76-V79 PolarHBondContact O-N 2.75Å; V79-V82 PolarHBondContact O-N 3.03Å; V79-R83 HydrophobicContact CG1-CG 4.47Å; V79-R83 WeakPolarHBondContact O-CB 3.09Å; V79-R83 VanDerWaalsContact O-CG 3.25Å; V79-R83 WeakPolarHBondContact O-CG 3.27Å; V79-R83 PolarHBondContact O-N 3.48Å
80E72.9Confident67.1Low93 Ų9384.4 Ų84.444%0.43543%0.428SS..Hα-helixtrans-68-38.8179.2-15664.7-174.800112.1A76 V78 R83 L84A76-E80 WeakPolarHBondContact O-CB 3.25Å; A76-E80 PolarHBondContact O-N 3.32Å; V78-E80 PolarHBondContact O-N 3.29Å; E80-R83 WeakPolarHBondContact O-CB 3.42Å; E80-R83 PolarHBondContact O-N 3.49Å; E80-R83 WeakPolarHBondContact OE2-CD 3.47Å; E80-R83 IonicContact OE2-CZ 2.73Å; E80-R83 IonicContact OE2-NE 3.98Å; E80-R83 IonicContact OE2-NH1 3.58Å; E80-R83 PolarHBondContact OE2-NH1 3.07Å; E80-L84 WeakPolarHBondContact O-CB 3.33Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 3.25Å
81K73.5Confident64.7Low141 Ų14182.7 Ų82.761%0.61343%0.428SS*.Hα-helixtrans-67.3-35.4172.8-74.2174.5-177.3-175.70112.7N77 V78 L84 L85N77-K81 WeakPolarHBondContact O-CB 3.42Å; N77-K81 VanDerWaalsContact O-CG 3.25Å; N77-K81 WeakPolarHBondContact O-CG 3.46Å; N77-K81 PolarHBondContact O-N 2.95Å; V78-K81 CarbonylContact O-C 3.58Å; V78-K81 PolarHBondContact O-N 3.1Å; V78-K81 VanDerWaalsContact O-N 3.14Å; K81-L84 CarbonylContact O-C 3.32Å; K81-L84 PolarHBondContact O-N 3.14Å; K81-L85 VanDerWaalsContact O-CG 3.29Å; K81-L85 WeakPolarHBondContact O-CG 3.49Å; K81-L85 PolarHBondContact O-N 2.81Å
82V76.1Confident62.5Low9 Ų982.7 Ų82.76%0.05544%0.442CS..Hα-helixtrans-70.7-39175.1171.90000110.6I10 V11 V14 F22 V78 V79 L84 L85 R86I10-V82 HydrophobicContact CG2-CG1 4.28Å; I10-V82 HydrophobicContact CG2-CG2 3.6Å; V11-V82 HydrophobicContact CG2-CG1 3.87Å; V14-V82 HydrophobicContact CG1-CG2 4.47Å; V14-V82 HydrophobicContact CG2-CB 4.33Å; V14-V82 HydrophobicContact CG2-CG1 3.97Å; F22-V82 HydrophobicContact CE1-CG1 3.99Å; V78-V82 HydrophobicContact CG1-CG2 4.22Å; V78-V82 WeakPolarHBondContact O-CB 3.21Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.35Å; V78-V82 PolarHBondContact O-N 2.79Å; V79-V82 PolarHBondContact O-N 3.03Å; V82-L84 VanDerWaalsContact C-N 3.31Å; V82-L85 PolarHBondContact O-N 2.95Å; V82-R86 PolarHBondContact O-N 2.79Å
83R67.1Low60.1Low61 Ų6183.7 Ų83.723%0.2345%0.447CS..Hα-helixtrans-59.3-44.9167.8-73.9171.5-179.4167.52.8110.6F22 L23 V79 E80 L85 R86 L87F22-R83 HydrophobicContact CD1-CG 4.47Å; F22-R83 HydrophobicContact CD2-CG 4.15Å; F22-R83 HydrophobicContact CE2-CG 4.26Å; F22-R83 HydrophobicContact CG-CG 4.27Å; F22-R83 HydrophobicContact CZ-CG 4.48Å; L23-R83 PolarHBondContact O-NH2 3.44Å; V79-R83 HydrophobicContact CG1-CG 4.47Å; V79-R83 WeakPolarHBondContact O-CB 3.09Å; V79-R83 VanDerWaalsContact O-CG 3.25Å; V79-R83 WeakPolarHBondContact O-CG 3.27Å; V79-R83 PolarHBondContact O-N 3.48Å; E80-R83 WeakPolarHBondContact O-CB 3.42Å; E80-R83 PolarHBondContact O-N 3.49Å; E80-R83 WeakPolarHBondContact OE2-CD 3.47Å; E80-R83 IonicContact OE2-CZ 2.73Å; E80-R83 IonicContact OE2-NE 3.98Å; E80-R83 IonicContact OE2-NH1 3.58Å; E80-R83 PolarHBondContact OE2-NH1 3.07Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.36Å; R83-R86 CarbonylContact O-C 3.55Å; R83-R86 WeakPolarHBondContact O-CA 3.49Å; R83-R86 WeakPolarHBondContact O-CB 3.44Å; R83-R86 PolarHBondContact O-N 3.2Å; R83-R86 VanDerWaalsContact O-N 3.11Å; R83-L87 WeakPolarHBondContact O-CB 3.36Å; R83-L87 WeakPolarHBondContact O-CD1 3.46Å; R83-L87 WeakPolarHBondContact O-CG 3.41Å; R83-L87 PolarHBondContact O-N 3.49Å
84L61.8Low58.9Low74 Ų7483.9 Ų83.939%0.38745%0.452SS..Hα-helixtrans-66.3-32.2174.8-72.3169.9000112.4E80 K81 V82 R86 L87 H88E80-L84 WeakPolarHBondContact O-CB 3.33Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 3.25Å; K81-L84 CarbonylContact O-C 3.32Å; K81-L84 PolarHBondContact O-N 3.14Å; V82-L84 VanDerWaalsContact C-N 3.31Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 2.85Å; L84-L87 CarbonylContact O-C 3.46Å; L84-L87 VanDerWaalsContact O-C 3.25Å; L84-L87 WeakPolarHBondContact O-CA 3.29Å; L84-L87 PolarHBondContact O-N 2.79Å; L84-H88 WeakPolarHBondContact O-CA 3.26Å; L84-H88 WeakPolarHBondContact O-CB 3.39Å; L84-H88 PolarHBondContact O-CD2 3.48Å; L84-H88 PolarHBondContact O-N 3.02Å
85L61.1Low57.7Low75 Ų7579 Ų7939%0.39344%0.439SS..Hα-helixtrans-67.3-31.8171.4-75.1168.1000111.3K81 V82 R83 L87 L93K81-L85 VanDerWaalsContact O-CG 3.29Å; K81-L85 WeakPolarHBondContact O-CG 3.49Å; K81-L85 PolarHBondContact O-N 2.81Å; V82-L85 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.36Å; L85-L87 PolarHBondContact O-N 3.41Å; L85-L93 WeakPolarHBondContact O-CD1 3.46Å
86R54.6Low56.5Low112 Ų11280.7 Ų80.742%0.42345%0.448SS..THydrogen-bonded Turntrans-73.3-11.3166.2-73-165168.9-159.5-5.7113.9V82 R83 L84V82-R86 PolarHBondContact O-N 2.79Å; R83-R86 CarbonylContact O-C 3.55Å; R83-R86 WeakPolarHBondContact O-CA 3.49Å; R83-R86 WeakPolarHBondContact O-CB 3.44Å; R83-R86 PolarHBondContact O-N 3.2Å; R83-R86 VanDerWaalsContact O-N 3.11Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 2.85Å
87L41Very low56.2Low84 Ų8482.2 Ų82.244%0.4445%0.451SS..THydrogen-bonded Turntrans-122.6-2.3-174.9-63.3164.5000114.3R83 L84 L85 P89 P255R83-L87 WeakPolarHBondContact O-CB 3.36Å; R83-L87 WeakPolarHBondContact O-CD1 3.46Å; R83-L87 WeakPolarHBondContact O-CG 3.41Å; R83-L87 PolarHBondContact O-N 3.49Å; L84-L87 CarbonylContact O-C 3.46Å; L84-L87 VanDerWaalsContact O-C 3.25Å; L84-L87 WeakPolarHBondContact O-CA 3.29Å; L84-L87 PolarHBondContact O-N 2.79Å; L85-L87 PolarHBondContact O-N 3.41Å; L87-P89 WeakPolarHBondContact O-CD 3.34Å; L87-P255 HydrophobicContact CD2-CG 4.22Å
88H34.7Very low56.3Low109 Ų10978.1 Ų78.151%0.50543%0.43SS..  trans-87122.2-174.6-108.3-66.8000110.2L84 G90L84-H88 WeakPolarHBondContact O-CA 3.26Å; L84-H88 WeakPolarHBondContact O-CB 3.39Å; L84-H88 PolarHBondContact O-CD2 3.48Å; L84-H88 PolarHBondContact O-N 3.02Å; H88-G90 PolarHBondContact O-N 2.82Å
89P38Very low55.9Low113 Ų11384.1 Ų84.173%0.73445%0.454SS*.THydrogen-bonded Turntrans-69.23.4-178.4-18.731.5000115.9L87L87-P89 WeakPolarHBondContact O-CD 3.34Å
90G35.2Very low55.5Low76 Ų7689 Ų8978%0.78449%0.487SS*.THydrogen-bonded Turntrans-104.7-11.3-169.100000115.6H88H88-G90 PolarHBondContact O-N 2.82Å
91M34Very low55.7Low134 Ų13489.1 Ų89.166%0.6649%0.487SS*.SBendtrans-110.6109.7158.7-73.4-170.9-164.900105.2L93M91-L93 PolarHBondContact O-N 3.29Å
92G39.9Very low55.6Low71 Ų7184.6 Ų84.673%0.73248%0.481SS*.  trans-61.784.1176.200000110.3K94G92-K94 PolarHBondContact O-N 2.9Å
93L36.9Very low55.8Low59 Ų5988.3 Ų88.331%0.30950%0.497SS..  trans-67.9125.1164.1-72.9168.3000105.7L85 M91 G95 D96L85-L93 WeakPolarHBondContact O-CD1 3.46Å; M91-L93 PolarHBondContact O-N 3.29Å; L93-G95 PolarHBondContact O-N 3.41Å; L93-D96 PolarHBondContact O-N 3.42Å
94K45.3Very low56.5Low187 Ų18791.9 Ų91.981%0.81352%0.515SS*.THydrogen-bonded Turntrans-47.8-5.7-177.9-78.1175.9167.4179.70116.3G92G92-K94 PolarHBondContact O-N 2.9Å
95G51.4Low57.4Low34 Ų3489.7 Ų89.735%0.35150%0.503SS..THydrogen-bonded Turntrans-84.3-26.2177.700000115.9L93 L97 L105 R257L93-G95 PolarHBondContact O-N 3.41Å; G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L105 WeakPolarHBondContact O-CD1 3.37Å; G95-R257 PolarHBondContact O-NH2 2.81Å
96D58.3Low58.6Low65 Ų6591.5 Ų91.535%0.34851%0.508SS..SBendtrans-81.3-10179.9-90.3-48.7000113.7L93 K104 L105 R257L93-D96 PolarHBondContact O-N 3.42Å; D96-K104 WeakPolarHBondContact O-CA 3.49Å; D96-L105 PolarHBondContact O-N 2.92Å; D96-L105 VanDerWaalsContact O-N 3.09Å; D96-R257 WeakPolarHBondContact OD1-CD 3.13Å; D96-R257 IonicContact OD1-CZ 3.22Å; D96-R257 VanDerWaalsContact OD1-CZ 3.22Å; D96-R257 IonicContact OD1-NE 3.29Å; D96-R257 PolarHBondContact OD1-NE 3.02Å; D96-R257 IonicContact OD1-NH1 2.62Å; D96-R257 PolarHBondContact OD1-NH1 3.42Å; D96-R257 IonicContact OD2-NH1 3.45Å; D96-R257 PolarHBondContact OD2-NH1 3.41Å
97L67.5Low60.2Low64 Ų6487.8 Ų87.834%0.33550%0.496SS..BIsolated β-bridgetrans-111.7141-176.2-56.4178.8000109.3G95 E99 G102 E103 K104G95-L97 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.39Å; L97-G102 WeakPolarHBondContact CD2-O 3.28Å; L97-E103 CarbonylContact C-O 3.48Å; L97-E103 VanDerWaalsContact CA-O 3.26Å; L97-E103 WeakPolarHBondContact CA-O 3.47Å; L97-K104 HydrophobicContact CD2-CG 4Å
98C72.1Confident62.6Low12 Ų1283.8 Ų83.88%0.08148%0.475CS..  trans-59.5132171.7174.70000110C100 H101 G102 E103 L105 C117 C120C98-C100 PolarHBondContact O-N 2.92Å; C98-C100 PolarHBondContact SG-N 2.91Å; C98-C100 VanDerWaalsContact SG-N 3.39Å; C98-H101 HydrophobicContact CB-CB 4.34Å; C98-H101 PolarHBondContact O-N 3.23Å; C98-H101 PolarHBondContact SG-N 2.7Å; C98-G102 VanDerWaalsContact O-CA 3.26Å; C98-G102 WeakPolarHBondContact O-CA 3.37Å; C98-G102 PolarHBondContact O-N 3.26Å; C98-E103 PolarHBondContact N-O 2.83Å; C98-L105 HydrophobicContact CB-CD2 3.9Å; C98-C117 HydrophobicContact CB-CB 3.77Å; C98-C117 VanDerWaalsContact CB-SG 3.6Å; C98-C117 VanDerWaalsContact SG-SG 3.68Å; C98-C120 PolarHBondContact SG-SG 2.57Å
99E72.3Confident65.2Low192 Ų19278.6 Ų78.690%0.89745%0.451SS*.THydrogen-bonded Turntrans-65.4-29.5178.5-61.3-173.3167.700112.4L97L97-E99 PolarHBondContact O-N 3.39Å
100C71.9Confident67.6Low103 Ų10377.3 Ų77.370%0.69643%0.434SS*.THydrogen-bonded Turntrans-80.4-40.2179.5-54.20000112.8C98C98-C100 PolarHBondContact O-N 2.92Å; C98-C100 PolarHBondContact SG-N 2.91Å; C98-C100 VanDerWaalsContact SG-N 3.39Å
101H77.1Confident70.1Confident96 Ų9678.4 Ų78.444%0.44442%0.418SS..THydrogen-bonded Turntrans-118.1-11.7-167.1-57.4112.8000114.3C98 E103 C117 A119 C120C98-H101 HydrophobicContact CB-CB 4.34Å; C98-H101 PolarHBondContact O-N 3.23Å; C98-H101 PolarHBondContact SG-N 2.7Å; H101-E103 HydrophobicContact CB-CB 4.5Å; H101-E103 HydrophobicContact CB-CG 4.21Å; H101-E103 PolarHBondContact O-N 3.05Å; H101-C117 PolarHBondContact ND1-SG 3.46Å; H101-C117 VanDerWaalsContact ND1-SG 3.44Å; H101-A119 HydrophobicContact CB-CB 4.32Å; H101-C120 PolarHBondContact CE1-SG 3.07Å; H101-C120 PolarHBondContact ND1-SG 3.25Å
102G71.5Confident72.4Confident47 Ų4775.2 Ų75.249%0.48540%0.404SS..  trans67.111.8-176.800000114.4L97 C98L97-G102 WeakPolarHBondContact CD2-O 3.28Å; C98-G102 VanDerWaalsContact O-CA 3.26Å; C98-G102 WeakPolarHBondContact O-CA 3.37Å; C98-G102 PolarHBondContact O-N 3.26Å
103E79.7Confident74.4Confident86 Ų8673 Ų7340%0.40238%0.377SS..PPolyproline II helixtrans-94154.2-177.9-68.2-173.7161.700112.6L97 C98 H101 L105 C117 A119L97-E103 CarbonylContact C-O 3.48Å; L97-E103 VanDerWaalsContact CA-O 3.26Å; L97-E103 WeakPolarHBondContact CA-O 3.47Å; C98-E103 PolarHBondContact N-O 2.83Å; H101-E103 HydrophobicContact CB-CB 4.5Å; H101-E103 HydrophobicContact CB-CG 4.21Å; H101-E103 PolarHBondContact O-N 3.05Å; E103-L105 PolarHBondContact O-N 2.84Å; E103-C117 HydrophobicContact CB-CB 3.68Å; E103-A119 PolarHBondContact OE2-N 2.96Å
104K81.6Confident76.7Confident136 Ų13674.8 Ų74.859%0.59139%0.386SS*.BIsolated β-bridgetrans-60.2132177-71.4-175176.9-177.20111.7D96 L97 K106D96-K104 WeakPolarHBondContact O-CA 3.49Å; L97-K104 HydrophobicContact CD2-CG 4Å; K104-K106 HydrophobicContact CB-CG 4.39Å; K104-K106 PolarHBondContact O-N 2.95Å
105L81.6Confident78.5Confident29 Ų2967.3 Ų67.315%0.15235%0.354CS..PPolyproline II helixtrans-71.6119172.6-58.7176.5000109.9G95 D96 C98 E103 I115 M116 C117G95-L105 WeakPolarHBondContact O-CD1 3.37Å; D96-L105 PolarHBondContact O-N 2.92Å; D96-L105 VanDerWaalsContact O-N 3.09Å; C98-L105 HydrophobicContact CB-CD2 3.9Å; E103-L105 PolarHBondContact O-N 2.84Å; L105-I115 HydrophobicContact CB-CG2 3.87Å; L105-M116 WeakPolarHBondContact CA-O 3.4Å; L105-C117 HydrophobicContact CD2-CB 4.49Å
106K86.3Confident80.1Confident113 Ų11366.2 Ų66.249%0.49134%0.34SS..  trans-142.5-20-175.8-66.5-177.7-178.51760113.7K104 M116 M134K104-K106 HydrophobicContact CB-CG 4.39Å; K104-K106 PolarHBondContact O-N 2.95Å; K106-M116 PolarHBondContact N-O 3.21Å; K106-M134 PolarHBondContact O-N 3.14Å
107M88.9Confident81.5Confident33 Ų3363.1 Ų63.116%0.16332%0.324CS..EExtended strand (participates in β ladder)trans-98.5149.6-176.9-57.8-53.3-71.100109.4I115 M116 E118 V131 V132M107-I115 CarbonylContact O-C 3.55Å; M107-I115 WeakPolarHBondContact O-CA 3.48Å; M107-I115 WeakPolarHBondContact O-CG2 3.07Å; M107-M116 HydrophobicContact CB-CG 3.87Å; M107-M116 PolarHBondContact N-O 3.43Å; M107-M116 PolarHBondContact O-N 2.98Å; M107-E118 HydrophobicContact CG-CB 4.46Å; M107-V131 HydrophobicContact CB-CG1 3.77Å; M107-V131 HydrophobicContact CE-CG1 4.09Å; M107-V132 CarbonylContact C-O 3.56Å
108F90.3Very high82.4Confident0 Ų065.5 Ų65.50%033%0.333CS..EExtended strand (participates in β ladder)trans-129.4122.2178.9-176.4-92.5000109.6K110 V113 L114 I115 V131 V132 M134 V137 Y141 L260F108-K110 HydrophobicContact CD1-CG 4.33Å; F108-K110 HydrophobicContact CE1-CG 4.4Å; F108-V113 HydrophobicContact CE2-CG1 4.28Å; F108-V113 HydrophobicContact CZ-CB 4.39Å; F108-V113 HydrophobicContact CZ-CG1 3.76Å; F108-L114 WeakPolarHBondContact CA-O 3.36Å; F108-I115 HydrophobicContact CD2-CG1 4.16Å; F108-V131 WeakPolarHBondContact O-CA 3.4Å; F108-V131 WeakPolarHBondContact O-CG1 3.46Å; F108-V132 PolarHBondContact N-O 3.31Å; F108-V132 PolarHBondContact O-N 3.22Å; F108-M134 HydrophobicContact CB-CB 4.32Å; F108-V137 HydrophobicContact CB-CG2 4.13Å; F108-V137 HydrophobicContact CD1-CB 4.41Å; F108-V137 HydrophobicContact CD1-CG1 4.11Å; F108-V137 HydrophobicContact CD1-CG2 3.77Å; F108-V137 HydrophobicContact CD2-CG2 4.42Å; F108-V137 HydrophobicContact CE1-CG2 4.23Å; F108-V137 HydrophobicContact CG-CG2 3.85Å; F108-Y141 AromaticContact CE1-CE2 3.68Å; F108-Y141 HydrophobicContact CE1-CE2 3.68Å; F108-Y141 HydrophobicContact CZ-CD2 4.5Å; F108-Y141 AromaticContact CZ-CE2 3.57Å; F108-Y141 HydrophobicContact CZ-CE2 3.57Å; F108-Y141 AromaticContact CZ-CZ 3.77Å; F108-L260 HydrophobicContact CD2-CD1 4.01Å; F108-L260 HydrophobicContact CE2-CB 4.2Å; F108-L260 HydrophobicContact CE2-CD1 4.26Å; F108-L260 HydrophobicContact CE2-CD2 4.39Å
109C88.9Confident83.1Confident0 Ų066.5 Ų66.50%034%0.342CS..EExtended strand (participates in β ladder)trans-88.5124.4172.2172.50000109.5D112 V113 L114 M116 H129 V131C109-D112 HydrophobicContact CB-CB 4.49Å; C109-D112 PolarHBondContact SG-N 3.13Å; C109-D112 PolarHBondContact SG-OD2 3.06Å; C109-V113 VanDerWaalsContact O-CA 3.28Å; C109-V113 WeakPolarHBondContact O-CA 3.25Å; C109-V113 PolarHBondContact O-N 2.74Å; C109-L114 PolarHBondContact N-O 3.4Å; C109-L114 PolarHBondContact O-N 3.43Å; C109-M116 HydrophobicContact CB-CE 3.35Å; C109-M116 HydrophobicContact CB-SD 4.39Å; C109-H129 PolarHBondContact SG-ND1 3.13Å; C109-H129 VanDerWaalsContact SG-ND1 3.43Å; C109-V131 HydrophobicContact CB-CG2 4.23Å
110K88.9Confident83.7Confident87 Ų8758.4 Ų58.438%0.37831%0.306SS..THydrogen-bonded Turntrans-73-34.7-176.9-67.7-169.9174.9-158.30113.1F108 S130F108-K110 HydrophobicContact CD1-CG 4.33Å; F108-K110 HydrophobicContact CE1-CG 4.4Å; K110-S130 PolarHBondContact N-O 2.98Å
111E88Confident84.4Confident98 Ų9854.4 Ų54.446%0.45828%0.28SS..THydrogen-bonded Turntrans-72.3-45.6-177.9-67.775.9-174.100111.3H129 S130E111-H129 HydrophobicContact CG-CB 4.47Å; E111-H129 WeakPolarHBondContact OE2-CB 3.25Å; E111-H129 IonicContact OE2-CG 3.91Å; E111-S130 WeakPolarHBondContact OE1-CB 3.48Å; E111-S130 PolarHBondContact OE1-N 3.36Å; E111-S130 PolarHBondContact OE2-N 3.1Å
112D81.8Confident84.9Confident67 Ų6756.8 Ų56.836%0.35829%0.291SS..THydrogen-bonded Turntrans-89.6-12.9-178.7-56.5-54.1000113.1C109 L114 H126 H129C109-D112 HydrophobicContact CB-CB 4.49Å; C109-D112 PolarHBondContact SG-N 3.13Å; C109-D112 PolarHBondContact SG-OD2 3.06Å; D112-L114 VanDerWaalsContact C-N 3.31Å; D112-L114 HydrophobicContact CB-CB 4.45Å; D112-L114 HydrophobicContact CB-CD1 3.96Å; D112-L114 HydrophobicContact CB-CG 4.29Å; D112-L114 WeakPolarHBondContact O-CG 3.4Å; D112-L114 PolarHBondContact O-N 3.11Å; D112-H126 IonicContact OD2-CE1 2.95Å; D112-H126 PolarHBondContact OD2-CE1 2.97Å; D112-H126 IonicContact OD2-ND1 3.07Å; D112-H126 PolarHBondContact OD2-ND1 3.2Å; D112-H129 IonicContact OD1-CE1 3.57Å; D112-H129 IonicContact OD1-ND1 3.95Å; D112-H129 IonicContact OD2-CE1 3.06Å; D112-H129 PolarHBondContact OD2-CE1 3.06Å; D112-H129 IonicContact OD2-ND1 2.74Å; D112-H129 PolarHBondContact OD2-ND1 3.27Å
113V82.8Confident85.7Confident26 Ų2655.7 Ų55.716%0.15828%0.276CS..THydrogen-bonded Turntrans55.346.3-177.6-163.30000111.4F108 C109 I263 Q264F108-V113 HydrophobicContact CE2-CG1 4.28Å; F108-V113 HydrophobicContact CZ-CB 4.39Å; F108-V113 HydrophobicContact CZ-CG1 3.76Å; C109-V113 VanDerWaalsContact O-CA 3.28Å; C109-V113 WeakPolarHBondContact O-CA 3.25Å; C109-V113 PolarHBondContact O-N 2.74Å; V113-I263 HydrophobicContact CG1-CG2 3.82Å; V113-Q264 HydrophobicContact CG1-CB 4.18Å
114L83.9Confident85.9Confident96 Ų9657 Ų5750%0.50329%0.292SS..EExtended strand (participates in β ladder)trans-126.9142.8-175.5-72.7168.9000111.7F108 C109 D112F108-L114 WeakPolarHBondContact CA-O 3.36Å; C109-L114 PolarHBondContact N-O 3.4Å; C109-L114 PolarHBondContact O-N 3.43Å; D112-L114 VanDerWaalsContact C-N 3.31Å; D112-L114 HydrophobicContact CB-CB 4.45Å; D112-L114 HydrophobicContact CB-CD1 3.96Å; D112-L114 HydrophobicContact CB-CG 4.29Å; D112-L114 WeakPolarHBondContact O-CG 3.4Å; D112-L114 PolarHBondContact O-N 3.11Å
115I83.8Confident86Confident30 Ų3057.9 Ų57.915%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-91.3129.4174.1-44.1173.1000108.3L105 M107 F108 R257 L260L105-I115 HydrophobicContact CB-CG2 3.87Å; M107-I115 CarbonylContact O-C 3.55Å; M107-I115 WeakPolarHBondContact O-CA 3.48Å; M107-I115 WeakPolarHBondContact O-CG2 3.07Å; F108-I115 HydrophobicContact CD2-CG1 4.16Å; I115-R257 HydrophobicContact CD1-CB 4.41Å; I115-R257 HydrophobicContact CD1-CG 3.9Å; I115-R257 WeakPolarHBondContact CD1-O 3.44Å; I115-L260 HydrophobicContact CD1-CB 3.9Å; I115-L260 HydrophobicContact CG1-CB 4.28Å
116M85.1Confident86.2Confident10 Ų1057.8 Ų57.85%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-137.7169.4-175.465.3-173.463.300112L105 K106 M107 C109 C120 H126 V131L105-M116 WeakPolarHBondContact CA-O 3.4Å; K106-M116 PolarHBondContact N-O 3.21Å; M107-M116 HydrophobicContact CB-CG 3.87Å; M107-M116 PolarHBondContact N-O 3.43Å; M107-M116 PolarHBondContact O-N 2.98Å; C109-M116 HydrophobicContact CB-CE 3.35Å; C109-M116 HydrophobicContact CB-SD 4.39Å; M116-C120 HydrophobicContact CB-CB 3.84Å; M116-C120 HydrophobicContact CG-CB 4.27Å; M116-C120 HydrophobicContact SD-CB 4.25Å; M116-H126 WeakPolarHBondContact CE-NE2 3.3Å; M116-V131 HydrophobicContact SD-CG1 4.24Å
117C86.7Confident86.1Confident0 Ų060.2 Ų60.20%031%0.31CS..  trans-84.7170.6169.373.10000111.2C98 H101 E103 L105 A119 C120 S121C98-C117 HydrophobicContact CB-CB 3.77Å; C98-C117 VanDerWaalsContact CB-SG 3.6Å; C98-C117 VanDerWaalsContact SG-SG 3.68Å; H101-C117 PolarHBondContact ND1-SG 3.46Å; H101-C117 VanDerWaalsContact ND1-SG 3.44Å; E103-C117 HydrophobicContact CB-CB 3.68Å; L105-C117 HydrophobicContact CD2-CB 4.49Å; C117-A119 PolarHBondContact O-N 3.02Å; C117-C120 PolarHBondContact O-N 2.77Å; C117-C120 PolarHBondContact SG-N 3.2Å; C117-S121 PolarHBondContact O-N 3.22Å; C117-S121 VanDerWaalsContact O-N 3.14Å
118E87.3Confident86.1Confident115 Ų11563.2 Ų63.254%0.53734%0.34SS..Hα-helixtrans-63.8-39.8-179.3-165.7165.4-173.200112M107 C120 S121 Q122M107-E118 HydrophobicContact CG-CB 4.46Å; E118-C120 PolarHBondContact O-N 3.04Å; E118-S121 PolarHBondContact O-N 3.49Å; E118-S121 VanDerWaalsContact O-N 3.16Å; E118-S121 PolarHBondContact O-OG 2.92Å; E118-Q122 PolarHBondContact O-N 3.13Å
119A87Confident86.1Confident33 Ų3366.1 Ų66.127%0.27335%0.353SS..Hα-helixtrans-60.7-41.5174.500000113.1H101 E103 C117 S121 Q122H101-A119 HydrophobicContact CB-CB 4.32Å; E103-A119 PolarHBondContact OE2-N 2.96Å; C117-A119 PolarHBondContact O-N 3.02Å; A119-S121 VanDerWaalsContact C-N 3.33Å; A119-S121 PolarHBondContact O-N 3.45Å; A119-Q122 PolarHBondContact O-N 2.99Å
120C85.8Confident86.2Confident21 Ų2168.6 Ų68.614%0.14237%0.371CS..Hα-helixtrans-63.9-37.2174.8-78.10000112.4C98 H101 M116 C117 E118 Q122 S123C98-C120 PolarHBondContact SG-SG 2.57Å; H101-C120 PolarHBondContact CE1-SG 3.07Å; H101-C120 PolarHBondContact ND1-SG 3.25Å; M116-C120 HydrophobicContact CB-CB 3.84Å; M116-C120 HydrophobicContact CG-CB 4.27Å; M116-C120 HydrophobicContact SD-CB 4.25Å; C117-C120 PolarHBondContact O-N 2.77Å; C117-C120 PolarHBondContact SG-N 3.2Å; E118-C120 PolarHBondContact O-N 3.04Å; C120-Q122 PolarHBondContact O-N 3.23Å; C120-S123 VanDerWaalsContact O-CB 3.25Å; C120-S123 WeakPolarHBondContact O-CB 3.41Å; C120-S123 PolarHBondContact O-N 3.19Å; C120-S123 PolarHBondContact O-OG 3.38Å
121S86.6Confident86.4Confident20 Ų2066.1 Ų66.114%0.1436%0.363CS..Hα-helixtrans-65.4-23.118071.80000113.8C117 E118 A119C117-S121 PolarHBondContact O-N 3.22Å; C117-S121 VanDerWaalsContact O-N 3.14Å; E118-S121 PolarHBondContact O-N 3.49Å; E118-S121 VanDerWaalsContact O-N 3.16Å; E118-S121 PolarHBondContact O-OG 2.92Å; A119-S121 VanDerWaalsContact C-N 3.33Å; A119-S121 PolarHBondContact O-N 3.45Å
122Q87.6Confident86.6Confident146 Ų14663 Ų6368%0.68235%0.35SS*.THydrogen-bonded Turntrans-93.32.8177.5-62.6175.716.500112.6E118 A119 C120E118-Q122 PolarHBondContact O-N 3.13Å; A119-Q122 PolarHBondContact O-N 2.99Å; C120-Q122 PolarHBondContact O-N 3.23Å
123S86.4Confident87.1Confident24 Ų2462.2 Ų62.217%0.16835%0.349CS..SBendtrans-69.3152.4176.869.50000111.1C120 E125 H126 E127C120-S123 VanDerWaalsContact O-CB 3.25Å; C120-S123 WeakPolarHBondContact O-CB 3.41Å; C120-S123 PolarHBondContact O-N 3.19Å; C120-S123 PolarHBondContact O-OG 3.38Å; S123-E125 PolarHBondContact O-N 2.99Å; S123-H126 PolarHBondContact O-N 3.44Å; S123-E127 PolarHBondContact O-N 3.37Å; S123-E127 VanDerWaalsContact O-N 3.16Å
124P85.6Confident87.3Confident113 Ų11362 Ų6273%0.73435%0.347SS*.THydrogen-bonded Turntrans-56.4-25.1175.7-24.934.2000113.7H126P124-H126 VanDerWaalsContact C-N 3.3Å; P124-H126 PolarHBondContact O-N 3.03Å
125E82.9Confident87.5Confident154 Ų15462.5 Ų62.572%0.7235%0.346SS*.THydrogen-bonded Turntrans-66.5-31.5179.5-66.6161.6-176.900112.2S123S123-E125 PolarHBondContact O-N 2.99Å
126H84.9Confident87.8Confident27 Ų2766.6 Ų66.613%0.12537%0.368CS..THydrogen-bonded Turntrans-112.86.9-179.3-63.1-64.1000113.4D112 M116 S123 P124 A128 H129 V131D112-H126 IonicContact OD2-CE1 2.95Å; D112-H126 PolarHBondContact OD2-CE1 2.97Å; D112-H126 IonicContact OD2-ND1 3.07Å; D112-H126 PolarHBondContact OD2-ND1 3.2Å; M116-H126 WeakPolarHBondContact CE-NE2 3.3Å; S123-H126 PolarHBondContact O-N 3.44Å; P124-H126 VanDerWaalsContact C-N 3.3Å; P124-H126 PolarHBondContact O-N 3.03Å; H126-A128 PolarHBondContact O-N 3.14Å; H126-H129 HydrophobicContact CB-CB 4.36Å; H126-H129 AromaticContact ND1-ND1 3.4Å; H126-H129 PolarHBondContact ND1-ND1 3.24Å; H126-H129 PolarHBondContact O-N 2.87Å; H126-V131 HydrophobicContact CB-CG2 4.19Å
127E85.1Confident88Confident165 Ų16566.1 Ų66.177%0.77137%0.366SS*.THydrogen-bonded Turntrans-58.9-33.4-179.3-173.3177.7-175.600112.3S123S123-E127 PolarHBondContact O-N 3.37Å; S123-E127 VanDerWaalsContact O-N 3.16Å
128A88.6Confident88.1Confident95 Ų9566.6 Ų66.679%0.78537%0.37SS*.THydrogen-bonded Turntrans-90.9-4.6177.300000114.1H126H126-A128 PolarHBondContact O-N 3.14Å
129H90.4Very high88.1Confident62 Ų6270.2 Ų70.229%0.28738%0.379SS..SBendtrans-94.9152.3-173.7-69.9-170.3000111.6C109 E111 D112 H126 V131C109-H129 PolarHBondContact SG-ND1 3.13Å; C109-H129 VanDerWaalsContact SG-ND1 3.43Å; E111-H129 HydrophobicContact CG-CB 4.47Å; E111-H129 WeakPolarHBondContact OE2-CB 3.25Å; E111-H129 IonicContact OE2-CG 3.91Å; D112-H129 IonicContact OD1-CE1 3.57Å; D112-H129 IonicContact OD1-ND1 3.95Å; D112-H129 IonicContact OD2-CE1 3.06Å; D112-H129 PolarHBondContact OD2-CE1 3.06Å; D112-H129 IonicContact OD2-ND1 2.74Å; D112-H129 PolarHBondContact OD2-ND1 3.27Å; H126-H129 HydrophobicContact CB-CB 4.36Å; H126-H129 AromaticContact ND1-ND1 3.4Å; H126-H129 PolarHBondContact ND1-ND1 3.24Å; H126-H129 PolarHBondContact O-N 2.87Å; H129-V131 HydrophobicContact CB-CG2 4.45Å; H129-V131 PolarHBondContact O-N 2.73Å
130S91.3Very high88.3Confident52 Ų5273.1 Ų73.136%0.36439%0.386SS..  trans-79.499.2172.2-169.50000109.9K110 E111K110-S130 PolarHBondContact N-O 2.98Å; E111-S130 WeakPolarHBondContact OE1-CB 3.48Å; E111-S130 PolarHBondContact OE1-N 3.36Å; E111-S130 PolarHBondContact OE2-N 3.1Å
131V92.9Very high88.6Confident34 Ų3473 Ų7321%0.20638%0.383CS..EExtended strand (participates in β ladder)trans-105.4126.8175.4-163.30000110.7M107 F108 C109 M116 H126 H129M107-V131 HydrophobicContact CB-CG1 3.77Å; M107-V131 HydrophobicContact CE-CG1 4.09Å; F108-V131 WeakPolarHBondContact O-CA 3.4Å; F108-V131 WeakPolarHBondContact O-CG1 3.46Å; C109-V131 HydrophobicContact CB-CG2 4.23Å; M116-V131 HydrophobicContact SD-CG1 4.24Å; H126-V131 HydrophobicContact CB-CG2 4.19Å; H129-V131 HydrophobicContact CB-CG2 4.45Å; H129-V131 PolarHBondContact O-N 2.73Å
132V92.3Very high88.7Confident32 Ų3276.1 Ų76.119%0.19439%0.394CS..EExtended strand (participates in β ladder)trans-134160.9-178.5-62.10000111M107 F108 M134 V137M107-V132 CarbonylContact C-O 3.56Å; F108-V132 PolarHBondContact N-O 3.31Å; F108-V132 PolarHBondContact O-N 3.22Å; V132-M134 PolarHBondContact O-N 3.21Å; V132-V137 HydrophobicContact CG2-CG1 3.5Å; V132-V137 VanDerWaalsContact CG2-CG1 3.5Å
133P91.9Very high88.9Confident51 Ų5176.3 Ų76.333%0.33139%0.389SS..EExtended strand (participates in β ladder)trans-53.9138.2168-25.234.5000111.6E135 D136P133-E135 PolarHBondContact O-N 2.83Å; P133-E135 VanDerWaalsContact O-N 3.15Å; P133-D136 WeakPolarHBondContact CD-OD2 3.19Å; P133-D136 WeakPolarHBondContact O-CB 3.48Å; P133-D136 PolarHBondContact O-N 3.3Å
134M87.4Confident89.3Confident23 Ų2377.1 Ų77.111%0.11339%0.39CS..Hα-helixtrans-61.3-27.1-177.366.4176.1-179.100113K106 F108 V132 D136 V137 A138 V256 R257 L260K106-M134 PolarHBondContact O-N 3.14Å; F108-M134 HydrophobicContact CB-CB 4.32Å; V132-M134 PolarHBondContact O-N 3.21Å; M134-D136 VanDerWaalsContact C-N 3.27Å; M134-D136 PolarHBondContact O-N 3.1Å; M134-V137 VanDerWaalsContact O-CG2 3.25Å; M134-V137 WeakPolarHBondContact O-CG2 3.3Å; M134-V137 PolarHBondContact O-N 3.1Å; M134-A138 PolarHBondContact O-N 3.15Å; M134-V256 HydrophobicContact CB-CG1 4.21Å; M134-V256 HydrophobicContact CG-CG1 4.08Å; M134-V256 WeakPolarHBondContact O-CG1 3.38Å; M134-V256 HydrophobicContact SD-CG1 4.31Å; M134-R257 HydrophobicContact SD-CB 4.14Å; M134-L260 HydrophobicContact CB-CD1 4.03Å
135E87.9Confident89.6Confident106 Ų10671.8 Ų71.850%0.49536%0.355SS..Hα-helixtrans-64.2-31.3175.7-6776.5-168.700112.6P133 V137 A138P133-E135 PolarHBondContact O-N 2.83Å; P133-E135 VanDerWaalsContact O-N 3.15Å; E135-V137 VanDerWaalsContact C-N 3.35Å; E135-A138 WeakPolarHBondContact O-CB 3.27Å; E135-A138 PolarHBondContact O-N 2.85Å
136D90.4Very high90.1Very high115 Ų11568.6 Ų68.662%0.61534%0.34SS*.Hα-helixtrans-73.1-29.2-176.9-67.9-9.4000111.9P133 M134P133-D136 WeakPolarHBondContact CD-OD2 3.19Å; P133-D136 WeakPolarHBondContact O-CB 3.48Å; P133-D136 PolarHBondContact O-N 3.3Å; M134-D136 VanDerWaalsContact C-N 3.27Å; M134-D136 PolarHBondContact O-N 3.1Å
137V89.8Confident90.7Very high1 Ų172.6 Ų72.61%0.00636%0.359CS..Hα-helixtrans-92.9-9.4175.4-62.20000113F108 V132 M134 E135 W139 E140 Y141 L260F108-V137 HydrophobicContact CB-CG2 4.13Å; F108-V137 HydrophobicContact CD1-CB 4.41Å; F108-V137 HydrophobicContact CD1-CG1 4.11Å; F108-V137 HydrophobicContact CD1-CG2 3.77Å; F108-V137 HydrophobicContact CD2-CG2 4.42Å; F108-V137 HydrophobicContact CE1-CG2 4.23Å; F108-V137 HydrophobicContact CG-CG2 3.85Å; V132-V137 HydrophobicContact CG2-CG1 3.5Å; V132-V137 VanDerWaalsContact CG2-CG1 3.5Å; M134-V137 VanDerWaalsContact O-CG2 3.25Å; M134-V137 WeakPolarHBondContact O-CG2 3.3Å; M134-V137 PolarHBondContact O-N 3.1Å; E135-V137 VanDerWaalsContact C-N 3.35Å; V137-W139 VanDerWaalsContact C-N 3.26Å; V137-W139 PolarHBondContact O-N 3.32Å; V137-E140 WeakPolarHBondContact O-CB 3.38Å; V137-E140 PolarHBondContact O-N 3.12Å; V137-Y141 HydrophobicContact CB-CD2 4.04Å; V137-Y141 HydrophobicContact CB-CE2 4.16Å; V137-Y141 HydrophobicContact CG2-CD2 4.3Å; V137-Y141 HydrophobicContact CG2-CE2 4.44Å; V137-Y141 WeakPolarHBondContact O-CD2 3.33Å; V137-Y141 PolarHBondContact O-N 2.81Å; V137-Y141 VanDerWaalsContact O-N 3.14Å; V137-L260 HydrophobicContact CG2-CD1 3.88Å
138A87.4Confident91.2Very high9 Ų964.8 Ų64.87%0.07432%0.323CS..Hα-helixtrans-59.5-37.4-173.800000112.7M134 E135 K142 V256M134-A138 PolarHBondContact O-N 3.15Å; E135-A138 WeakPolarHBondContact O-CB 3.27Å; E135-A138 PolarHBondContact O-N 2.85Å; A138-K142 VanDerWaalsContact O-CB 3.32Å; A138-K142 WeakPolarHBondContact O-CB 3.49Å; A138-K142 WeakPolarHBondContact O-CG 3.5Å; A138-K142 PolarHBondContact O-N 3.01Å; A138-K142 VanDerWaalsContact O-N 3.08Å; A138-V256 HydrophobicContact CB-CB 4.4Å; A138-V256 HydrophobicContact CB-CG1 3.74Å; A138-V256 HydrophobicContact CB-CG2 3.7Å
139W87.3Confident91.5Very high192 Ų19261 Ų6173%0.72729%0.29SS*.Hα-helixtrans-70.9-41.5178.7-177.2-101.2000112.4V137 K142 W143V137-W139 VanDerWaalsContact C-N 3.26Å; V137-W139 PolarHBondContact O-N 3.32Å; W139-K142 PolarHBondContact O-N 2.93Å; W139-W143 PolarHBondContact O-N 3.45Å
140E92.8Very high91.8Very high93 Ų9362 Ų6244%0.43529%0.294SS..Hα-helixtrans-57.7-53.6177.7-178.1175.5-175.200110.7V137 K142 W143 E144V137-E140 WeakPolarHBondContact O-CB 3.38Å; V137-E140 PolarHBondContact O-N 3.12Å; E140-K142 PolarHBondContact O-N 3.46Å; E140-W143 WeakPolarHBondContact O-CB 3.44Å; E140-W143 PolarHBondContact O-N 3.43Å; E140-W143 VanDerWaalsContact O-N 3.11Å; E140-E144 PolarHBondContact O-N 3Å
141Y90.3Very high92.1Very high18 Ų1862.4 Ų62.47%0.07129%0.29CS..Hα-helixtrans-70.1-28.7178.9-78.1-76.4000114F108 V137 W143 E144 L145 L260 I263 L267F108-Y141 AromaticContact CE1-CE2 3.68Å; F108-Y141 HydrophobicContact CE1-CE2 3.68Å; F108-Y141 HydrophobicContact CZ-CD2 4.5Å; F108-Y141 AromaticContact CZ-CE2 3.57Å; F108-Y141 HydrophobicContact CZ-CE2 3.57Å; F108-Y141 AromaticContact CZ-CZ 3.77Å; V137-Y141 HydrophobicContact CB-CD2 4.04Å; V137-Y141 HydrophobicContact CB-CE2 4.16Å; V137-Y141 HydrophobicContact CG2-CD2 4.3Å; V137-Y141 HydrophobicContact CG2-CE2 4.44Å; V137-Y141 WeakPolarHBondContact O-CD2 3.33Å; V137-Y141 PolarHBondContact O-N 2.81Å; V137-Y141 VanDerWaalsContact O-N 3.14Å; Y141-W143 VanDerWaalsContact C-N 3.3Å; Y141-E144 PolarHBondContact O-N 2.82Å; Y141-L145 WeakPolarHBondContact O-CB 3.41Å; Y141-L145 VanDerWaalsContact O-CG 3.26Å; Y141-L145 WeakPolarHBondContact O-CG 3.48Å; Y141-L145 PolarHBondContact O-N 3.45Å; Y141-L260 HydrophobicContact CD1-CD2 4.37Å; Y141-L260 HydrophobicContact CD2-CD2 3.43Å; Y141-L260 VanDerWaalsContact CD2-CD2 3.43Å; Y141-L260 HydrophobicContact CE2-CD2 4.17Å; Y141-L260 HydrophobicContact CG-CD2 3.54Å; Y141-I263 HydrophobicContact CD1-CD1 3.57Å; Y141-I263 HydrophobicContact CD1-CG1 4.13Å; Y141-I263 HydrophobicContact CD1-CG2 3.88Å; Y141-I263 HydrophobicContact CE1-CG2 3.74Å; Y141-I263 HydrophobicContact CG-CD1 3.89Å; Y141-L267 HydrophobicContact CD1-CD1 3.9Å; Y141-L267 HydrophobicContact CE1-CD1 4.2Å
142K88.6Confident92.3Very high87 Ų8760.8 Ų60.838%0.37828%0.28SS..Hα-helixtrans-62.7-40.3169.6-85.1177.3179179.80111.5A138 W139 E140 H146 M259A138-K142 VanDerWaalsContact O-CB 3.32Å; A138-K142 WeakPolarHBondContact O-CB 3.49Å; A138-K142 WeakPolarHBondContact O-CG 3.5Å; A138-K142 PolarHBondContact O-N 3.01Å; A138-K142 VanDerWaalsContact O-N 3.08Å; W139-K142 PolarHBondContact O-N 2.93Å; E140-K142 PolarHBondContact O-N 3.46Å; K142-H146 WeakPolarHBondContact O-CB 3.25Å; K142-H146 PolarHBondContact O-N 3.49Å; K142-M259 HydrophobicContact CG-CE 4.05Å; K142-M259 HydrophobicContact CG-SD 3.6Å; K142-M259 VanDerWaalsContact CG-SD 3.6Å
143W93.1Very high92.4Very high149 Ų14962.9 Ų62.956%0.56429%0.287SS*.Hα-helixtrans-65.7-44.8175.5-174.5-98.8000111.2W139 E140 Y141 L145 H146 E147W139-W143 PolarHBondContact O-N 3.45Å; E140-W143 WeakPolarHBondContact O-CB 3.44Å; E140-W143 PolarHBondContact O-N 3.43Å; E140-W143 VanDerWaalsContact O-N 3.11Å; Y141-W143 VanDerWaalsContact C-N 3.3Å; W143-L145 PolarHBondContact O-N 3.46Å; W143-H146 WeakPolarHBondContact O-CA 3.43Å; W143-H146 WeakPolarHBondContact O-CB 3.47Å; W143-H146 PolarHBondContact O-N 3.36Å; W143-H146 VanDerWaalsContact O-N 3.08Å; W143-E147 PolarHBondContact O-N 3.07Å
144E95.3Very high92.7Very high41 Ų4166.9 Ų66.919%0.19230%0.299CS..Hα-helixtrans-61.6-41176.2-69.6-157.7-153.100113.4E140 Y141 H146 E147 A148 L267 K271E140-E144 PolarHBondContact O-N 3Å; Y141-E144 PolarHBondContact O-N 2.82Å; E144-H146 VanDerWaalsContact C-N 3.28Å; E144-H146 PolarHBondContact O-N 2.91Å; E144-E147 PolarHBondContact O-N 3.48Å; E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.93Å; E144-L267 HydrophobicContact CB-CD1 4Å; E144-L267 HydrophobicContact CB-CD2 4.09Å; E144-L267 WeakPolarHBondContact OE2-CD1 3.43Å; E144-K271 IonicContact OE2-NZ 2.67Å; E144-K271 PolarHBondContact OE2-NZ 3.31Å
145L91.6Very high93.1Very high2 Ų267.5 Ų67.51%0.0130%0.301CS..Hα-helixtrans-63-37.6173.6-73.8170.1000111.5Y141 W143 L149 L248 M259 I263 L267Y141-L145 WeakPolarHBondContact O-CB 3.41Å; Y141-L145 VanDerWaalsContact O-CG 3.26Å; Y141-L145 WeakPolarHBondContact O-CG 3.48Å; Y141-L145 PolarHBondContact O-N 3.45Å; W143-L145 PolarHBondContact O-N 3.46Å; L145-L149 WeakPolarHBondContact O-CB 3.49Å; L145-L149 PolarHBondContact O-N 3.48Å; L145-L248 HydrophobicContact CD2-CD2 3.7Å; L145-M259 HydrophobicContact CD1-CG 3.55Å; L145-M259 HydrophobicContact CD1-SD 3.83Å; L145-I263 HydrophobicContact CD1-CD1 3.99Å; L145-I263 HydrophobicContact CD2-CD1 4.35Å; L145-I263 HydrophobicContact CD2-CG1 4.43Å; L145-I263 HydrophobicContact CG-CD1 4.13Å; L145-L267 HydrophobicContact CD2-CD2 3.87Å; L145-L267 HydrophobicContact CD2-CG 4.42Å; L145-L267 HydrophobicContact CG-CD2 4.28Å
146H92.8Very high93.4Very high86 Ų8663.1 Ų63.140%0.39828%0.281SS..Hα-helixtrans-66.3-45.9176.1-179.157.6000111.6K142 W143 E144 L149 E150K142-H146 WeakPolarHBondContact O-CB 3.25Å; K142-H146 PolarHBondContact O-N 3.49Å; W143-H146 WeakPolarHBondContact O-CA 3.43Å; W143-H146 WeakPolarHBondContact O-CB 3.47Å; W143-H146 PolarHBondContact O-N 3.36Å; W143-H146 VanDerWaalsContact O-N 3.08Å; E144-H146 VanDerWaalsContact C-N 3.28Å; E144-H146 PolarHBondContact O-N 2.91Å; H146-L149 WeakPolarHBondContact O-CB 3.43Å; H146-L149 PolarHBondContact O-N 3.43Å; H146-E150 IonicContact CE1-OE1 3.31Å; H146-E150 PolarHBondContact CE1-OE1 2.67Å; H146-E150 WeakPolarHBondContact O-CG 3.46Å; H146-E150 PolarHBondContact O-N 3Å
147E96.8Very high93.7Very high111 Ų11162.8 Ų62.852%0.51928%0.276SS..Hα-helixtrans-62.1-45.5177.5-171178.9-170.100111.6W143 E144 L149 E150 H151W143-E147 PolarHBondContact O-N 3.07Å; E144-E147 PolarHBondContact O-N 3.48Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.68Å; E147-E150 PolarHBondContact O-N 3.01Å; E147-H151 PolarHBondContact O-N 3.33Å
148A96.8Very high94Very high2 Ų265.3 Ų65.32%0.01729%0.287CS..Hα-helixtrans-61-39.1174.100000112E144 H151 L152 L248 L267 K271E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.93Å; A148-H151 PolarHBondContact O-N 3.48Å; A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 3.26Å; A148-L248 HydrophobicContact CB-CD1 3.86Å; A148-L267 HydrophobicContact CB-CD2 4.07Å; A148-K271 HydrophobicContact CB-CG 4.5Å
149L95.3Very high94.3Very high16 Ų1664.9 Ų64.98%0.08428%0.284CS..Hα-helixtrans-64.8-43.3176.4175.564.9000112L145 H146 E147 L152 K153 I245 L248 K249L145-L149 WeakPolarHBondContact O-CB 3.49Å; L145-L149 PolarHBondContact O-N 3.48Å; H146-L149 WeakPolarHBondContact O-CB 3.43Å; H146-L149 PolarHBondContact O-N 3.43Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.68Å; L149-L152 PolarHBondContact O-N 3.13Å; L149-K153 HydrophobicContact CG-CD 4.48Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 3.39Å; L149-K153 PolarHBondContact O-N 3.4Å; L149-I245 HydrophobicContact CD1-CB 4.31Å; L149-I245 HydrophobicContact CD1-CG1 4.41Å; L149-I245 HydrophobicContact CD1-CG2 3.83Å; L149-L248 HydrophobicContact CB-CB 4.42Å; L149-L248 HydrophobicContact CB-CD1 4.13Å; L149-L248 HydrophobicContact CD1-CB 4.29Å; L149-K249 HydrophobicContact CD1-CG 3.94Å; L149-K249 HydrophobicContact CD2-CG 3.94Å
150E96.5Very high94.5Very high81 Ų8163.1 Ų63.138%0.37928%0.278SS..Hα-helixtrans-66-39.3176.7-68.9-52.1132.300111.8H146 E147 K153 K154H146-E150 IonicContact CE1-OE1 3.31Å; H146-E150 PolarHBondContact CE1-OE1 2.67Å; H146-E150 WeakPolarHBondContact O-CG 3.46Å; H146-E150 PolarHBondContact O-N 3Å; E147-E150 PolarHBondContact O-N 3.01Å; E150-K153 PolarHBondContact O-N 3.1Å; E150-K153 IonicContact OE1-NZ 3.57Å; E150-K153 PolarHBondContact OE1-NZ 3.07Å; E150-K153 IonicContact OE2-NZ 3.68Å; E150-K154 PolarHBondContact O-N 3.39Å
151H97.1Very high94.6Very high61 Ų6163.4 Ų63.428%0.28228%0.277SS..Hα-helixtrans-55.9-54.2171.7176.159.7000111.6E147 A148 K153 K154 E155 S270 W273E147-H151 PolarHBondContact O-N 3.33Å; A148-H151 PolarHBondContact O-N 3.48Å; H151-K153 VanDerWaalsContact C-N 3.32Å; H151-K153 PolarHBondContact O-N 3.01Å; H151-K154 WeakPolarHBondContact O-CB 3.28Å; H151-K154 PolarHBondContact O-N 3.21Å; H151-K154 VanDerWaalsContact O-N 3.1Å; H151-E155 IonicContact CE1-OE1 3.07Å; H151-E155 WeakPolarHBondContact O-CG 3.39Å; H151-E155 PolarHBondContact O-N 3.15Å; H151-S270 PolarHBondContact CD2-O 2.94Å; H151-W273 PolarHBondContact NE2-O 3.27Å
152L96.6Very high94.9Very high0 Ų064.8 Ų64.80%029%0.286CS..Hα-helixtrans-63.8-34.8-179.3-64.7-179.5000113.1A148 L149 K154 E155 Q156 L241 M244 I245 L248 W273A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 3.26Å; L149-L152 PolarHBondContact O-N 3.13Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-E155 PolarHBondContact O-N 3.34Å; L152-Q156 WeakPolarHBondContact O-CB 3.34Å; L152-Q156 PolarHBondContact O-N 3.49Å; L152-L241 HydrophobicContact CB-CD2 4.3Å; L152-L241 HydrophobicContact CD2-CD2 3.78Å; L152-M244 HydrophobicContact CD1-CB 3.58Å; L152-M244 HydrophobicContact CD1-CE 4.04Å; L152-M244 HydrophobicContact CD2-CE 3.97Å; L152-I245 HydrophobicContact CB-CD1 4.26Å; L152-I245 HydrophobicContact CB-CG1 3.7Å; L152-I245 HydrophobicContact CD1-CG1 4.41Å; L152-L248 HydrophobicContact CD1-CD1 3.66Å; L152-L248 HydrophobicContact CD1-CG 4.47Å; L152-W273 HydrophobicContact CD2-CB 3.79Å; L152-W273 HydrophobicContact CD2-CG 3.99Å
153K95Very high95Very high76 Ų7661.7 Ų61.733%0.3327%0.273SS..Hα-helixtrans-62.6-40.6173.7-77.6173.5-177.5172.10111.8L149 E150 H151 Q156 E157 I245L149-K153 HydrophobicContact CG-CD 4.48Å; L149-K153 VanDerWaalsContact O-CG 3.31Å; L149-K153 WeakPolarHBondContact O-CG 3.39Å; L149-K153 PolarHBondContact O-N 3.4Å; E150-K153 PolarHBondContact O-N 3.1Å; E150-K153 IonicContact OE1-NZ 3.57Å; E150-K153 PolarHBondContact OE1-NZ 3.07Å; E150-K153 IonicContact OE2-NZ 3.68Å; H151-K153 VanDerWaalsContact C-N 3.32Å; H151-K153 PolarHBondContact O-N 3.01Å; K153-Q156 WeakPolarHBondContact O-CB 3.32Å; K153-Q156 PolarHBondContact O-N 3.3Å; K153-E157 PolarHBondContact O-N 3.28Å; K153-I245 HydrophobicContact CG-CD1 4.41Å
154K97.2Very high95Very high136 Ų13658 Ų5859%0.59127%0.267SS*.Hα-helixtrans-64.8-45176.4-172.9-177.9177.3-174.20111.1E150 H151 L152 Q156 E157 E158E150-K154 PolarHBondContact O-N 3.39Å; H151-K154 WeakPolarHBondContact O-CB 3.28Å; H151-K154 PolarHBondContact O-N 3.21Å; H151-K154 VanDerWaalsContact O-N 3.1Å; L152-K154 VanDerWaalsContact C-N 3.33Å; K154-Q156 VanDerWaalsContact C-N 3.26Å; K154-Q156 PolarHBondContact O-N 3.46Å; K154-E157 PolarHBondContact O-N 2.9Å; K154-E158 PolarHBondContact O-N 3.27Å
155E97Very high94.8Very high35 Ų3557.5 Ų57.516%0.16427%0.272CS..Hα-helixtrans-59.8-38174.1-65.2-64.8125.900111.7H151 L152 E158 A159 L241 L275H151-E155 IonicContact CE1-OE1 3.07Å; H151-E155 WeakPolarHBondContact O-CG 3.39Å; H151-E155 PolarHBondContact O-N 3.15Å; L152-E155 PolarHBondContact O-N 3.34Å; E155-E158 PolarHBondContact O-N 3.19Å; E155-A159 WeakPolarHBondContact O-CB 3.33Å; E155-A159 PolarHBondContact O-N 2.92Å; E155-L241 HydrophobicContact CB-CD1 4.08Å; E155-L241 HydrophobicContact CB-CD2 3.95Å; E155-L275 WeakPolarHBondContact OE2-CB 3.42Å; E155-L275 PolarHBondContact OE2-N 3.44Å
156Q94.7Very high94.8Very high15 Ų1558.1 Ų58.17%0.0728%0.275CS..Hα-helixtrans-66.5-39176.2-178.562.154.300112.8L152 K153 K154 A159 W160 S238 L241 W242 I245L152-Q156 WeakPolarHBondContact O-CB 3.34Å; L152-Q156 PolarHBondContact O-N 3.49Å; K153-Q156 WeakPolarHBondContact O-CB 3.32Å; K153-Q156 PolarHBondContact O-N 3.3Å; K154-Q156 VanDerWaalsContact C-N 3.26Å; K154-Q156 PolarHBondContact O-N 3.46Å; Q156-A159 PolarHBondContact O-N 3.42Å; Q156-W160 PolarHBondContact O-N 3.33Å; Q156-S238 PolarHBondContact NE2-OG 3.37Å; Q156-S238 PolarHBondContact OE1-O 2.88Å; Q156-L241 HydrophobicContact CB-CD1 4.4Å; Q156-W242 HydrophobicContact CG-CZ2 4.3Å; Q156-I245 HydrophobicContact CB-CD1 3.94Å; Q156-I245 HydrophobicContact CG-CD1 4.27Å
157E95.4Very high94.8Very high107 Ų10760.8 Ų60.850%0.528%0.282SS..Hα-helixtrans-64.7-42.4174.6-167.2-167.5144.900111.1K153 K154 W160 K161K153-E157 PolarHBondContact O-N 3.28Å; K154-E157 PolarHBondContact O-N 2.9Å; E157-W160 WeakPolarHBondContact O-CB 3.5Å; E157-W160 PolarHBondContact O-N 3.44Å; E157-K161 WeakPolarHBondContact O-CG 3.39Å; E157-K161 PolarHBondContact O-N 2.84Å; E157-K161 WeakPolarHBondContact OE1-CE 3.29Å; E157-K161 IonicContact OE1-NZ 3.84Å; E157-K161 PolarHBondContact OE1-NZ 3.11Å
158E96.1Very high94.5Very high54 Ų5462.8 Ų62.825%0.25229%0.289SS..Hα-helixtrans-65.2-41175.4-68.4-59.2123.900111.9K154 E155 W160 K161 L162 L275K154-E158 PolarHBondContact O-N 3.27Å; E155-E158 PolarHBondContact O-N 3.19Å; E158-W160 VanDerWaalsContact C-N 3.3Å; E158-W160 PolarHBondContact O-N 3.46Å; E158-K161 PolarHBondContact O-N 2.92Å; E158-K161 WeakPolarHBondContact OE1-CD 3.22Å; E158-K161 IonicContact OE1-NZ 2.71Å; E158-K161 PolarHBondContact OE1-NZ 3.04Å; E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.11Å; E158-L275 HydrophobicContact CB-CD2 3.85Å
159A94.9Very high94.2Very high1 Ų165.7 Ų65.71%0.00830%0.299CS..Hα-helixtrans-57.6-44.1174.100000111.7E155 Q156 L162 E163 L241 L275E155-A159 WeakPolarHBondContact O-CB 3.33Å; E155-A159 PolarHBondContact O-N 2.92Å; Q156-A159 PolarHBondContact O-N 3.42Å; A159-L162 PolarHBondContact O-N 2.99Å; A159-E163 WeakPolarHBondContact O-CB 3.48Å; A159-E163 PolarHBondContact O-N 3.42Å; A159-L241 HydrophobicContact CB-CD1 4.29Å; A159-L275 HydrophobicContact CB-CD1 3.72Å; A159-L275 HydrophobicContact CB-CD2 4.13Å
160W91.8Very high94.1Very high155 Ų15565.9 Ų65.959%0.58730%0.301SS*.Hα-helixtrans-62.3-44.5175.6176.1-91.9000112.4Q156 E157 E158 L162 E163 V164Q156-W160 PolarHBondContact O-N 3.33Å; E157-W160 WeakPolarHBondContact O-CB 3.5Å; E157-W160 PolarHBondContact O-N 3.44Å; E158-W160 VanDerWaalsContact C-N 3.3Å; E158-W160 PolarHBondContact O-N 3.46Å; W160-L162 VanDerWaalsContact C-N 3.32Å; W160-L162 PolarHBondContact O-N 3.26Å; W160-E163 PolarHBondContact O-N 2.96Å; W160-V164 HydrophobicContact CD2-CG2 4.43Å; W160-V164 HydrophobicContact CZ2-CG2 4.3Å; W160-V164 WeakPolarHBondContact O-CG2 3.35Å; W160-V164 PolarHBondContact O-N 3.09Å
161K94.9Very high93.8Very high98 Ų9864.4 Ų64.443%0.42630%0.302SS..Hα-helixtrans-59.1-43.9176.5-72.2170.7-170.5160.20111.4E157 E158 G165E157-K161 WeakPolarHBondContact O-CG 3.39Å; E157-K161 PolarHBondContact O-N 2.84Å; E157-K161 WeakPolarHBondContact OE1-CE 3.29Å; E157-K161 IonicContact OE1-NZ 3.84Å; E157-K161 PolarHBondContact OE1-NZ 3.11Å; E158-K161 PolarHBondContact O-N 2.92Å; E158-K161 WeakPolarHBondContact OE1-CD 3.22Å; E158-K161 IonicContact OE1-NZ 2.71Å; E158-K161 PolarHBondContact OE1-NZ 3.04Å; K161-G165 PolarHBondContact O-N 3.42Å
162L94.9Very high93.5Very high47 Ų4764.2 Ų64.225%0.24631%0.306CS..Hα-helixtrans-65.7-42.2176.4-67-179.9000111.7E158 A159 W160 V164 G165 E166 L234 L275 R277E158-L162 WeakPolarHBondContact O-CG 3.33Å; E158-L162 PolarHBondContact O-N 3.11Å; A159-L162 PolarHBondContact O-N 2.99Å; W160-L162 VanDerWaalsContact C-N 3.32Å; W160-L162 PolarHBondContact O-N 3.26Å; L162-V164 PolarHBondContact O-N 3.28Å; L162-G165 CarbonylContact O-C 3.55Å; L162-G165 WeakPolarHBondContact O-CA 3.28Å; L162-G165 PolarHBondContact O-N 3.29Å; L162-G165 VanDerWaalsContact O-N 3.13Å; L162-E166 PolarHBondContact O-N 3.34Å; L162-L234 HydrophobicContact CB-CD1 3.79Å; L162-L234 HydrophobicContact CB-CD2 3.97Å; L162-L234 HydrophobicContact CD1-CD2 4.04Å; L162-L275 HydrophobicContact CD1-CD2 3.74Å; L162-L275 HydrophobicContact CD1-CG 4.43Å; L162-R277 HydrophobicContact CD1-CG 4.11Å
163E92.1Very high93.3Very high22 Ų2264.3 Ų64.310%0.10331%0.306CS..Hα-helixtrans-60.2-47.5178.7-171.4-170.3150.500111.7A159 W160 G165 E166 R167 H231A159-E163 WeakPolarHBondContact O-CB 3.48Å; A159-E163 PolarHBondContact O-N 3.42Å; W160-E163 PolarHBondContact O-N 2.96Å; E163-G165 VanDerWaalsContact C-N 3.28Å; E163-G165 PolarHBondContact O-N 2.92Å; E163-E166 PolarHBondContact O-N 3.4Å; E163-R167 PolarHBondContact O-N 2.87Å; E163-R167 IonicContact OE1-NH2 3.75Å; E163-R167 PolarHBondContact OE1-NH2 2.99Å; E163-H231 WeakPolarHBondContact CG-CE1 3.44Å; E163-H231 IonicContact OE1-CE1 2.65Å
164V92.1Very high93.1Very high73 Ų7366.2 Ų66.244%0.44231%0.314SS..Hα-helixtrans-61.6-39.9175172.90000110.7W160 L162 R167 K168W160-V164 HydrophobicContact CD2-CG2 4.43Å; W160-V164 HydrophobicContact CZ2-CG2 4.3Å; W160-V164 WeakPolarHBondContact O-CG2 3.35Å; W160-V164 PolarHBondContact O-N 3.09Å; L162-V164 PolarHBondContact O-N 3.28Å; V164-R167 PolarHBondContact O-N 3.39Å; V164-K168 WeakPolarHBondContact O-CB 3.46Å; V164-K168 PolarHBondContact O-N 3.33Å
165G92.3Very high92.7Very high30 Ų3065 Ų6531%0.30931%0.313SS..Hα-helixtrans-58.8-51.2174.600000113K161 L162 E163 R167 K168 R169K161-G165 PolarHBondContact O-N 3.42Å; L162-G165 CarbonylContact O-C 3.55Å; L162-G165 WeakPolarHBondContact O-CA 3.28Å; L162-G165 PolarHBondContact O-N 3.29Å; L162-G165 VanDerWaalsContact O-N 3.13Å; E163-G165 VanDerWaalsContact C-N 3.28Å; E163-G165 PolarHBondContact O-N 2.92Å; G165-R167 PolarHBondContact O-N 3.46Å; G165-K168 WeakPolarHBondContact O-CB 3.45Å; G165-K168 PolarHBondContact O-N 3.09Å; G165-R169 WeakPolarHBondContact O-CG 3.46Å; G165-R169 PolarHBondContact O-N 2.91Å
166E91.4Very high92.3Very high15 Ų1566.3 Ų66.37%0.0732%0.319CS..Hα-helixtrans-64.3-38.1178.8-72-56112.700112.1L162 E163 K168 R169 T170 N230 L234L162-E166 PolarHBondContact O-N 3.34Å; E163-E166 PolarHBondContact O-N 3.4Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.28Å; E166-R169 PolarHBondContact O-N 2.98Å; E166-R169 WeakPolarHBondContact OE1-CD 3.36Å; E166-R169 IonicContact OE1-CZ 3.89Å; E166-R169 IonicContact OE1-NE 3.61Å; E166-R169 IonicContact OE1-NH1 3.5Å; E166-R169 PolarHBondContact OE1-NH1 3.38Å; E166-R169 IonicContact OE2-NH1 2.68Å; E166-T170 WeakPolarHBondContact O-CB 3.48Å; E166-T170 PolarHBondContact O-N 3.43Å; E166-T170 PolarHBondContact O-OG1 3.37Å; E166-N230 HydrophobicContact CG-CB 4.45Å; E166-N230 PolarHBondContact OE2-ND2 3Å; E166-L234 HydrophobicContact CG-CD1 3.8Å
167R91.4Very high92.1Very high142 Ų14266.7 Ų66.754%0.53632%0.322SS..Hα-helixtrans-62.5-42.5173.9-171.9176.8-68.1163.86.7111.5E163 V164 G165 T170 A171E163-R167 PolarHBondContact O-N 2.87Å; E163-R167 IonicContact OE1-NH2 3.75Å; E163-R167 PolarHBondContact OE1-NH2 2.99Å; V164-R167 PolarHBondContact O-N 3.39Å; G165-R167 PolarHBondContact O-N 3.46Å; R167-T170 PolarHBondContact O-N 2.96Å; R167-A171 PolarHBondContact O-N 3.26Å
168K91Very high91.8Very high153 Ų15365.3 Ų65.367%0.66532%0.316SS*.Hα-helixtrans-63.2-45.3175.4-173.8179.6179.6-1790111.4V164 G165 E166 T170 A171 T172V164-K168 WeakPolarHBondContact O-CB 3.46Å; V164-K168 PolarHBondContact O-N 3.33Å; G165-K168 WeakPolarHBondContact O-CB 3.45Å; G165-K168 PolarHBondContact O-N 3.09Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.28Å; K168-T170 VanDerWaalsContact C-N 3.32Å; K168-T170 PolarHBondContact O-N 3.39Å; K168-A171 PolarHBondContact O-N 2.98Å; K168-T172 PolarHBondContact O-N 3.42Å; K168-T172 PolarHBondContact O-OG1 3.42Å; K168-T172 VanDerWaalsContact O-OG1 3.12Å
169R91.1Very high91.4Very high63 Ų6366 Ų6624%0.23832%0.324CS..Hα-helixtrans-58-44.2175.6-72.317574.1-176.67.1111.7G165 E166 A171 T172 W173 L227 I281 L283G165-R169 WeakPolarHBondContact O-CG 3.46Å; G165-R169 PolarHBondContact O-N 2.91Å; E166-R169 PolarHBondContact O-N 2.98Å; E166-R169 WeakPolarHBondContact OE1-CD 3.36Å; E166-R169 IonicContact OE1-CZ 3.89Å; E166-R169 IonicContact OE1-NE 3.61Å; E166-R169 IonicContact OE1-NH1 3.5Å; E166-R169 PolarHBondContact OE1-NH1 3.38Å; E166-R169 IonicContact OE2-NH1 2.68Å; R169-A171 PolarHBondContact O-N 2.82Å; R169-T172 PolarHBondContact O-N 3.23Å; R169-W173 WeakPolarHBondContact O-CB 3.5Å; R169-W173 PolarHBondContact O-N 2.65Å; R169-L227 HydrophobicContact CB-CD2 4.28Å; R169-I281 PolarHBondContact NH2-O 2.78Å; R169-L283 HydrophobicContact CB-CD1 4.08Å; R169-L283 HydrophobicContact CG-CD1 4.19Å
170T92.3Very high91.1Very high20 Ų2067.7 Ų67.712%0.12333%0.33CS..Hα-helixtrans-60.7-44.5176.1-57.80000112E166 R167 K168 W173 K174 L224E166-T170 WeakPolarHBondContact O-CB 3.48Å; E166-T170 PolarHBondContact O-N 3.43Å; E166-T170 PolarHBondContact O-OG1 3.37Å; R167-T170 PolarHBondContact O-N 2.96Å; K168-T170 VanDerWaalsContact C-N 3.32Å; K168-T170 PolarHBondContact O-N 3.39Å; T170-W173 PolarHBondContact O-N 3Å; T170-K174 HydrophobicContact CG2-CD 4.48Å; T170-K174 WeakPolarHBondContact O-CG 3.42Å; T170-K174 PolarHBondContact O-N 3.41Å; T170-L224 HydrophobicContact CG2-CD1 3.76Å
171A91.4Very high91.1Very high49 Ų4964.2 Ų64.241%0.40532%0.319SS..Hα-helixtrans-63.8-45.4176.300000111.9R167 K168 R169 W173 K174 I175R167-A171 PolarHBondContact O-N 3.26Å; K168-A171 PolarHBondContact O-N 2.98Å; R169-A171 PolarHBondContact O-N 2.82Å; A171-W173 VanDerWaalsContact C-N 3.35Å; A171-W173 PolarHBondContact O-N 3.15Å; A171-K174 PolarHBondContact O-N 3.14Å; A171-I175 WeakPolarHBondContact O-CG1 3.34Å; A171-I175 PolarHBondContact O-N 3.28Å; A171-I175 VanDerWaalsContact O-N 3.09Å
172T90.1Very high90.8Very high57 Ų5764.9 Ų64.935%0.3532%0.324SS..Hα-helixtrans-60.6-43.3176.2-60.10000111.8K168 R169 I175 Q176K168-T172 PolarHBondContact O-N 3.42Å; K168-T172 PolarHBondContact O-OG1 3.42Å; K168-T172 VanDerWaalsContact O-OG1 3.12Å; R169-T172 PolarHBondContact O-N 3.23Å; T172-I175 PolarHBondContact O-N 3.18Å; T172-Q176 HydrophobicContact CG2-CG 4.47Å; T172-Q176 WeakPolarHBondContact O-CG 3.38Å; T172-Q176 PolarHBondContact O-N 3.33Å
173W91.4Very high90.6Very high3 Ų363.8 Ų63.81%0.01132%0.32CS..Hα-helixtrans-59.9-47.6176.5178.9-117.4000112.1R169 T170 A171 I175 Q176 V177 E219 A220 T223 L227 L283 L285R169-W173 WeakPolarHBondContact O-CB 3.5Å; R169-W173 PolarHBondContact O-N 2.65Å; T170-W173 PolarHBondContact O-N 3Å; A171-W173 VanDerWaalsContact C-N 3.35Å; A171-W173 PolarHBondContact O-N 3.15Å; W173-I175 VanDerWaalsContact C-N 3.3Å; W173-I175 PolarHBondContact O-N 2.92Å; W173-Q176 PolarHBondContact O-N 2.97Å; W173-V177 HydrophobicContact CD2-CG2 4.01Å; W173-V177 HydrophobicContact CG-CG2 4.46Å; W173-V177 HydrophobicContact CH2-CG2 4.44Å; W173-V177 HydrophobicContact CZ2-CG2 3.87Å; W173-V177 WeakPolarHBondContact O-CG2 3.35Å; W173-V177 PolarHBondContact O-N 3.11Å; W173-E219 HydrophobicContact CH2-CG 4.32Å; W173-E219 HydrophobicContact CZ2-CG 4.43Å; W173-A220 PolarHBondContact NE1-O 2.96Å; W173-T223 HydrophobicContact CD2-CG2 3.85Å; W173-T223 VanDerWaalsContact CE2-CG2 3.5Å; W173-T223 HydrophobicContact CE3-CG2 4.31Å; W173-T223 HydrophobicContact CG-CG2 4.31Å; W173-T223 HydrophobicContact CH2-CG2 4.1Å; W173-T223 HydrophobicContact CZ2-CG2 3.65Å; W173-T223 HydrophobicContact CZ3-CG2 4.42Å; W173-L227 HydrophobicContact CB-CD1 4.12Å; W173-L227 HydrophobicContact CG-CD1 4.2Å; W173-L283 HydrophobicContact CB-CD2 4.47Å; W173-L283 HydrophobicContact CE3-CB 4.28Å; W173-L283 HydrophobicContact CE3-CD2 4.29Å; W173-L285 HydrophobicContact CH2-CD2 3.33Å; W173-L285 HydrophobicContact CH2-CG 3.97Å; W173-L285 HydrophobicContact CZ2-CD2 4.05Å; W173-L285 HydrophobicContact CZ3-CD2 3.69Å; W173-L285 HydrophobicContact CZ3-CG 3.82Å
174K91.6Very high90.4Very high115 Ų11562.8 Ų62.850%0.532%0.316SS..Hα-helixtrans-58.2-42.5177.3-73.8178.7179.6-176.70112.1T170 A171 E178T170-K174 HydrophobicContact CG2-CD 4.48Å; T170-K174 WeakPolarHBondContact O-CG 3.42Å; T170-K174 PolarHBondContact O-N 3.41Å; A171-K174 PolarHBondContact O-N 3.14Å; K174-E178 WeakPolarHBondContact O-CB 3.37Å; K174-E178 PolarHBondContact O-N 2.78Å; K174-E178 VanDerWaalsContact O-N 3.08Å
175I88.8Confident90.3Very high112 Ų11261.8 Ų61.857%0.57431%0.31SS*.Hα-helixtrans-63.2-48.3176-66.8166.1000110.4A171 T172 W173 V177 E178 T179A171-I175 WeakPolarHBondContact O-CG1 3.34Å; A171-I175 PolarHBondContact O-N 3.28Å; A171-I175 VanDerWaalsContact O-N 3.09Å; T172-I175 PolarHBondContact O-N 3.18Å; W173-I175 VanDerWaalsContact C-N 3.3Å; W173-I175 PolarHBondContact O-N 2.92Å; I175-V177 PolarHBondContact O-N 3.22Å; I175-E178 PolarHBondContact O-N 2.91Å; I175-T179 WeakPolarHBondContact O-CB 3.32Å; I175-T179 PolarHBondContact O-N 3.47Å; I175-T179 PolarHBondContact O-OG1 3.36Å
176Q87.5Confident90.1Very high61 Ų6163.1 Ų63.129%0.28531%0.305SS..Hα-helixtrans-59.3-44.9179.6-75.9177.2-20.300112.6T172 W173 T179 R180 L283 L285T172-Q176 HydrophobicContact CG2-CG 4.47Å; T172-Q176 WeakPolarHBondContact O-CG 3.38Å; T172-Q176 PolarHBondContact O-N 3.33Å; W173-Q176 PolarHBondContact O-N 2.97Å; Q176-T179 PolarHBondContact O-N 3.36Å; Q176-R180 WeakPolarHBondContact O-CB 3.27Å; Q176-R180 PolarHBondContact O-N 3.14Å; Q176-L283 PolarHBondContact OE1-O 2.96Å; Q176-L285 HydrophobicContact CB-CD1 4.12Å
177V90.9Very high90.1Very high23 Ų2362.5 Ų62.514%0.13930%0.302CS..Hα-helixtrans-60.3-47.5176.7169.70000110.7W173 I175 R180 K181 L216 A220 L285W173-V177 HydrophobicContact CD2-CG2 4.01Å; W173-V177 HydrophobicContact CG-CG2 4.46Å; W173-V177 HydrophobicContact CH2-CG2 4.44Å; W173-V177 HydrophobicContact CZ2-CG2 3.87Å; W173-V177 WeakPolarHBondContact O-CG2 3.35Å; W173-V177 PolarHBondContact O-N 3.11Å; I175-V177 PolarHBondContact O-N 3.22Å; V177-R180 PolarHBondContact O-N 2.9Å; V177-K181 WeakPolarHBondContact O-CB 3.34Å; V177-K181 PolarHBondContact O-N 3.39Å; V177-L216 HydrophobicContact CG1-CG 4.42Å; V177-A220 HydrophobicContact CB-CB 4.35Å; V177-A220 HydrophobicContact CG1-CB 3.65Å; V177-A220 HydrophobicContact CG2-CB 3.72Å; V177-L285 HydrophobicContact CG2-CD2 4.18Å
178E90.5Very high89.9Confident79 Ų7956 Ų5637%0.36928%0.278SS..Hα-helixtrans-66.5-40.7180-174.157.3-15100111.7K174 I175 R180 K181 Q182K174-E178 WeakPolarHBondContact O-CB 3.37Å; K174-E178 PolarHBondContact O-N 2.78Å; K174-E178 VanDerWaalsContact O-N 3.08Å; I175-E178 PolarHBondContact O-N 2.91Å; E178-R180 PolarHBondContact O-N 2.94Å; E178-K181 WeakPolarHBondContact O-CB 3.26Å; E178-K181 PolarHBondContact O-N 3.19Å; E178-K181 IonicContact OE2-NZ 3.74Å; E178-Q182 WeakPolarHBondContact O-CG 3.48Å; E178-Q182 PolarHBondContact O-N 3.49Å; E178-Q182 PolarHBondContact OE1-NE2 3.43Å; E178-Q182 VanDerWaalsContact OE1-NE2 3.08Å
179T86.9Confident89.7Confident69 Ų6952.7 Ų52.742%0.42327%0.265SS..Hα-helixtrans-61-43173.6-59.30000111.6I175 Q176 Q182 S183I175-T179 WeakPolarHBondContact O-CB 3.32Å; I175-T179 PolarHBondContact O-N 3.47Å; I175-T179 PolarHBondContact O-OG1 3.36Å; Q176-T179 PolarHBondContact O-N 3.36Å; T179-Q182 PolarHBondContact O-N 2.97Å; T179-S183 WeakPolarHBondContact O-CB 3.27Å; T179-S183 PolarHBondContact O-N 3.39Å; T179-S183 PolarHBondContact O-OG 3Å
180R89.1Confident89.6Confident35 Ų3549.8 Ų49.813%0.13225%0.254CS..Hα-helixtrans-65.7-42.2177.5-177.759.359.293.9-3.3111.3Q176 V177 E178 Q182 S183 I184 L216 L285 T287Q176-R180 WeakPolarHBondContact O-CB 3.27Å; Q176-R180 PolarHBondContact O-N 3.14Å; V177-R180 PolarHBondContact O-N 2.9Å; E178-R180 PolarHBondContact O-N 2.94Å; R180-Q182 PolarHBondContact O-N 2.99Å; R180-S183 WeakPolarHBondContact O-CB 3.42Å; R180-S183 PolarHBondContact O-N 3.44Å; R180-I184 HydrophobicContact CG-CD1 4.21Å; R180-I184 WeakPolarHBondContact O-CG1 3.43Å; R180-I184 PolarHBondContact O-N 2.9Å; R180-L216 HydrophobicContact CB-CD1 4.22Å; R180-L216 HydrophobicContact CB-CD2 4.05Å; R180-L216 HydrophobicContact CG-CD1 3.84Å; R180-L216 HydrophobicContact CG-CD2 3.88Å; R180-L285 HydrophobicContact CB-CD1 3.69Å; R180-L285 HydrophobicContact CG-CD1 4.07Å; R180-T287 PolarHBondContact NH1-O 3.29Å
181K91.1Very high89.3Confident82 Ų8250.4 Ų50.436%0.35726%0.255SS..Hα-helixtrans-58-48.2175.2-178.2-171.3174.8-167.70111.5V177 E178 I184 V185 L213 L216V177-K181 WeakPolarHBondContact O-CB 3.34Å; V177-K181 PolarHBondContact O-N 3.39Å; E178-K181 WeakPolarHBondContact O-CB 3.26Å; E178-K181 PolarHBondContact O-N 3.19Å; E178-K181 IonicContact OE2-NZ 3.74Å; K181-I184 PolarHBondContact O-N 3.38Å; K181-V185 WeakPolarHBondContact O-CG2 3.43Å; K181-V185 PolarHBondContact O-N 2.93Å; K181-V185 VanDerWaalsContact O-N 3.09Å; K181-L213 HydrophobicContact CG-CD2 3.88Å; K181-L216 HydrophobicContact CB-CD2 3.81Å
182Q89.2Confident89Confident112 Ų11251.4 Ų51.452%0.52325%0.251SS..Hα-helixtrans-64-40.5177.1-70.9174.5500111.9E178 T179 R180 V185 W186E178-Q182 WeakPolarHBondContact O-CG 3.48Å; E178-Q182 PolarHBondContact O-N 3.49Å; E178-Q182 PolarHBondContact OE1-NE2 3.43Å; E178-Q182 VanDerWaalsContact OE1-NE2 3.08Å; T179-Q182 PolarHBondContact O-N 2.97Å; R180-Q182 PolarHBondContact O-N 2.99Å; Q182-V185 PolarHBondContact O-N 3.35Å; Q182-W186 VanDerWaalsContact O-CB 3.28Å; Q182-W186 WeakPolarHBondContact O-CB 3.2Å; Q182-W186 PolarHBondContact O-N 2.84Å
183S89.4Confident88.8Confident24 Ų2451.9 Ų51.917%0.16825%0.246CC..Hα-helixtrans-60.9-45.9176.5-58.20000111.3T179 R180 W186 E187T179-S183 WeakPolarHBondContact O-CB 3.27Å; T179-S183 PolarHBondContact O-N 3.39Å; T179-S183 PolarHBondContact O-OG 3Å; R180-S183 WeakPolarHBondContact O-CB 3.42Å; R180-S183 PolarHBondContact O-N 3.44Å; S183-W186 PolarHBondContact O-N 3.33Å; S183-E187 WeakPolarHBondContact O-CG 3.32Å; S183-E187 PolarHBondContact O-N 3.31Å
184I89.4Confident88.6Confident1 Ų152.2 Ų52.21%0.00525%0.248CC..Hα-helixtrans-55.3-59.1175.1-71.3169.2000109.6R180 K181 W186 E187 F188 A212 L213 L216 C289R180-I184 HydrophobicContact CG-CD1 4.21Å; R180-I184 WeakPolarHBondContact O-CG1 3.43Å; R180-I184 PolarHBondContact O-N 2.9Å; K181-I184 PolarHBondContact O-N 3.38Å; I184-W186 VanDerWaalsContact C-N 3.28Å; I184-W186 PolarHBondContact O-N 2.94Å; I184-E187 PolarHBondContact O-N 3.42Å; I184-F188 HydrophobicContact CG2-CD2 3.77Å; I184-F188 HydrophobicContact CG2-CE2 3.79Å; I184-F188 WeakPolarHBondContact O-CD2 3.43Å; I184-F188 PolarHBondContact O-N 3.18Å; I184-F188 VanDerWaalsContact O-N 3.12Å; I184-A212 HydrophobicContact CD1-CB 4.43Å; I184-A212 HydrophobicContact CG2-CB 4.32Å; I184-L213 HydrophobicContact CB-CD2 4.23Å; I184-L213 HydrophobicContact CD1-CD2 4.41Å; I184-L213 HydrophobicContact CG2-CD2 3.84Å; I184-L213 HydrophobicContact CG2-CG 4.12Å; I184-L216 HydrophobicContact CD1-CD2 4.01Å; I184-C289 HydrophobicContact CG1-CB 4.04Å
185V89.5Confident88Confident53 Ų5349.1 Ų49.132%0.32124%0.237SC..Hα-helixtrans-54.8-46.1-177.9173.70000111.4K181 Q182 F188 E189 L213K181-V185 WeakPolarHBondContact O-CG2 3.43Å; K181-V185 PolarHBondContact O-N 2.93Å; K181-V185 VanDerWaalsContact O-N 3.09Å; Q182-V185 PolarHBondContact O-N 3.35Å; V185-F188 PolarHBondContact O-N 2.94Å; V185-E189 HydrophobicContact CG1-CG 4.4Å; V185-E189 WeakPolarHBondContact O-CG 3.2Å; V185-E189 PolarHBondContact O-N 3.34Å; V185-L213 HydrophobicContact CG2-CD1 4.3Å; V185-L213 HydrophobicContact CG2-CD2 4.39Å
186W88.7Confident86.9Confident57 Ų5751 Ų5122%0.21624%0.243CC..Hα-helixtrans-62.4-45.2-179.6-176.7-67.9000113.4Q182 S183 I184 F188 E189 K190 D433 T448 R451Q182-W186 VanDerWaalsContact O-CB 3.28Å; Q182-W186 WeakPolarHBondContact O-CB 3.2Å; Q182-W186 PolarHBondContact O-N 2.84Å; S183-W186 PolarHBondContact O-N 3.33Å; I184-W186 VanDerWaalsContact C-N 3.28Å; I184-W186 PolarHBondContact O-N 2.94Å; W186-F188 VanDerWaalsContact C-N 3.28Å; W186-F188 PolarHBondContact O-N 3.01Å; W186-E189 PolarHBondContact O-N 2.9Å; W186-K190 WeakPolarHBondContact O-CB 3.48Å; W186-K190 PolarHBondContact O-N 2.93Å; W186-D433 PolarHBondContact NE1-OD2 3.01Å; W186-T448 HydrophobicContact CH2-CG2 4.46Å; W186-T448 HydrophobicContact CZ2-CG2 3.53Å; W186-R451 VanDerWaalsContact CE2-CZ 3.45Å; W186-R451 HydrophobicContact CH2-CB 4Å; W186-R451 HydrophobicContact CH2-CG 3.31Å; W186-R451 VanDerWaalsContact CH2-CZ 3.47Å; W186-R451 HydrophobicContact CZ2-CG 3.58Å; W186-R451 HydrophobicContact CZ3-CG 4.41Å; W186-R451 VanDerWaalsContact NE1-NH2 3.12Å
187E89.6Confident85.4Confident2 Ų256.4 Ų56.41%0.00927%0.266CS..Hα-helixtrans-63.9-38.1-179.6-72.5-47.5101.800111.2S183 I184 K190 Y191 C289 V291 Y437 H445S183-E187 WeakPolarHBondContact O-CG 3.32Å; S183-E187 PolarHBondContact O-N 3.31Å; I184-E187 PolarHBondContact O-N 3.42Å; E187-K190 WeakPolarHBondContact O-CB 3.09Å; E187-K190 PolarHBondContact O-N 3.43Å; E187-K190 IonicContact OE1-NZ 3.89Å; E187-K190 PolarHBondContact OE1-NZ 3.08Å; E187-K190 IonicContact OE2-NZ 3.02Å; E187-K190 PolarHBondContact OE2-NZ 2.88Å; E187-Y191 WeakPolarHBondContact O-CB 3.5Å; E187-Y191 PolarHBondContact O-N 3.3Å; E187-C289 VanDerWaalsContact CG-SG 3.6Å; E187-V291 HydrophobicContact CB-CG2 3.79Å; E187-Y437 WeakPolarHBondContact OE2-CE1 3.32Å; E187-Y437 PolarHBondContact OE2-OH 2.95Å; E187-H445 HydrophobicContact CG-CB 4.01Å; E187-H445 IonicContact OE1-CD2 2.77Å; E187-H445 IonicContact OE1-NE2 3.93Å; E187-H445 IonicContact OE2-CD2 3.23Å
188F87.9Confident83.5Confident6 Ų664.3 Ų64.33%0.02630%0.298CS..Hα-helixtrans-68.9-43.2175.7-80.7-77.6000112.5I184 V185 W186 K190 Y191 Q192 L205 E208 V209 V291I184-F188 HydrophobicContact CG2-CD2 3.77Å; I184-F188 HydrophobicContact CG2-CE2 3.79Å; I184-F188 WeakPolarHBondContact O-CD2 3.43Å; I184-F188 PolarHBondContact O-N 3.18Å; I184-F188 VanDerWaalsContact O-N 3.12Å; V185-F188 PolarHBondContact O-N 2.94Å; W186-F188 VanDerWaalsContact C-N 3.28Å; W186-F188 PolarHBondContact O-N 3.01Å; F188-K190 VanDerWaalsContact C-N 3.3Å; F188-K190 PolarHBondContact O-N 3.34Å; F188-Y191 PolarHBondContact O-N 3.21Å; F188-Q192 WeakPolarHBondContact O-CG 3.48Å; F188-Q192 PolarHBondContact O-N 2.98Å; F188-L205 HydrophobicContact CD1-CD1 3.55Å; F188-L205 HydrophobicContact CD1-CD2 4.4Å; F188-L205 HydrophobicContact CD1-CG 3.77Å; F188-L205 HydrophobicContact CE1-CD1 3.58Å; F188-L205 HydrophobicContact CE1-CG 4.09Å; F188-E208 HydrophobicContact CE1-CB 4.12Å; F188-E208 HydrophobicContact CZ-CB 4.16Å; F188-V209 HydrophobicContact CB-CG2 3.61Å; F188-V209 HydrophobicContact CD1-CB 4.48Å; F188-V209 HydrophobicContact CD1-CG2 3.23Å; F188-V209 HydrophobicContact CD2-CB 4.23Å; F188-V209 HydrophobicContact CD2-CG1 4.36Å; F188-V209 HydrophobicContact CD2-CG2 3.53Å; F188-V209 HydrophobicContact CE1-CG2 3.61Å; F188-V209 HydrophobicContact CE2-CB 4.35Å; F188-V209 HydrophobicContact CE2-CG2 3.93Å; F188-V209 HydrophobicContact CG-CB 4.33Å; F188-V209 HydrophobicContact CG-CG2 3.19Å; F188-V209 HydrophobicContact CZ-CB 4.49Å; F188-V209 HydrophobicContact CZ-CG2 3.96Å; F188-V291 HydrophobicContact CD1-CG1 3.96Å; F188-V291 HydrophobicContact CD1-CG2 3.85Å; F188-V291 HydrophobicContact CD2-CG2 3.95Å; F188-V291 HydrophobicContact CE1-CB 4.37Å; F188-V291 HydrophobicContact CE1-CG1 3.95Å; F188-V291 HydrophobicContact CE1-CG2 3.92Å; F188-V291 HydrophobicContact CE2-CG2 3.97Å; F188-V291 HydrophobicContact CG-CG2 3.87Å; F188-V291 HydrophobicContact CZ-CG2 3.97Å
189E87.1Confident81.8Confident83 Ų8367.7 Ų67.739%0.38831%0.314SS..Hα-helixtrans-61.3-39.5172.3-72.7178.7177.300111.8V185 W186 Q192 R193V185-E189 HydrophobicContact CG1-CG 4.4Å; V185-E189 WeakPolarHBondContact O-CG 3.2Å; V185-E189 PolarHBondContact O-N 3.34Å; W186-E189 PolarHBondContact O-N 2.9Å; E189-Q192 PolarHBondContact O-N 2.95Å; E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 3.28Å; E189-R193 IonicContact OE2-NH1 3.27Å
190K88.6Confident80.3Confident3 Ų369.6 Ų69.61%0.01333%0.327CS..Hα-helixtrans-60.5-50.8174.8178.7-165.4-68.7153.90110W186 E187 F188 Q192 R193 L194 F426 D433 S435 Y437W186-K190 WeakPolarHBondContact O-CB 3.48Å; W186-K190 PolarHBondContact O-N 2.93Å; E187-K190 WeakPolarHBondContact O-CB 3.09Å; E187-K190 PolarHBondContact O-N 3.43Å; E187-K190 IonicContact OE1-NZ 3.89Å; E187-K190 PolarHBondContact OE1-NZ 3.08Å; E187-K190 IonicContact OE2-NZ 3.02Å; E187-K190 PolarHBondContact OE2-NZ 2.88Å; F188-K190 VanDerWaalsContact C-N 3.3Å; F188-K190 PolarHBondContact O-N 3.34Å; K190-Q192 VanDerWaalsContact C-N 3.28Å; K190-Q192 PolarHBondContact O-N 3.43Å; K190-R193 PolarHBondContact O-N 3.49Å; K190-R193 VanDerWaalsContact O-N 3.13Å; K190-L194 HydrophobicContact CD-CD1 4.47Å; K190-L194 HydrophobicContact CG-CD1 4.07Å; K190-L194 HydrophobicContact CG-CG 4.29Å; K190-L194 VanDerWaalsContact O-CG 3.31Å; K190-L194 WeakPolarHBondContact O-CG 3.46Å; K190-L194 PolarHBondContact O-N 3.23Å; K190-F426 HydrophobicContact CD-CD1 4.36Å; K190-F426 HydrophobicContact CD-CE1 4.22Å; K190-D433 WeakPolarHBondContact CE-OD2 3.41Å; K190-D433 IonicContact NZ-OD1 3.68Å; K190-D433 IonicContact NZ-OD2 2.77Å; K190-S435 VanDerWaalsContact NZ-CB 3.32Å; K190-S435 PolarHBondContact NZ-OG 3.35Å; K190-Y437 PolarHBondContact NZ-OH 3.33Å
191Y87.5Confident78.7Confident33 Ų3373.1 Ų73.113%0.12936%0.355CS..Hα-helixtrans-55.7-44.4177.9-177.7-102.4000111.6E187 F188 L194 L195 L205 V291 L294 I297E187-Y191 WeakPolarHBondContact O-CB 3.5Å; E187-Y191 PolarHBondContact O-N 3.3Å; F188-Y191 PolarHBondContact O-N 3.21Å; Y191-L194 PolarHBondContact O-N 3.11Å; Y191-L195 HydrophobicContact CD1-CD1 3.66Å; Y191-L195 HydrophobicContact CD1-CG 4.39Å; Y191-L195 HydrophobicContact CE1-CD1 3.2Å; Y191-L195 HydrophobicContact CE1-CG 4.11Å; Y191-L195 HydrophobicContact CE2-CD1 4.46Å; Y191-L195 HydrophobicContact CG-CD1 4.47Å; Y191-L195 WeakPolarHBondContact O-CB 3.44Å; Y191-L195 WeakPolarHBondContact O-CG 3.39Å; Y191-L195 PolarHBondContact O-N 3.5Å; Y191-L205 HydrophobicContact CD1-CD1 3.53Å; Y191-L205 HydrophobicContact CD1-CD2 3.54Å; Y191-L205 HydrophobicContact CD1-CG 4.18Å; Y191-L205 HydrophobicContact CE1-CD1 3.56Å; Y191-L205 HydrophobicContact CE1-CD2 3.96Å; Y191-L205 HydrophobicContact CE1-CG 4.36Å; Y191-V291 HydrophobicContact CD1-CG1 3.91Å; Y191-V291 HydrophobicContact CD2-CG1 3.82Å; Y191-V291 HydrophobicContact CE1-CG1 4.43Å; Y191-V291 HydrophobicContact CE2-CG1 4.36Å; Y191-V291 HydrophobicContact CG-CG1 3.57Å; Y191-L294 HydrophobicContact CD2-CB 3.82Å; Y191-L294 HydrophobicContact CD2-CD1 3.82Å; Y191-L294 HydrophobicContact CD2-CG 4.4Å; Y191-L294 HydrophobicContact CE2-CB 4.32Å; Y191-I297 HydrophobicContact CD2-CD1 3.68Å; Y191-I297 HydrophobicContact CE2-CD1 3.17Å; Y191-I297 HydrophobicContact CE2-CG1 4.07Å
192Q83.9Confident77.6Confident69 Ų6973.5 Ų73.532%0.32236%0.358SS..Hα-helixtrans-58.9-49.2173.5-71.9178.3-25.200112.5F188 E189 K190 L194 L195 E196 L205F188-Q192 WeakPolarHBondContact O-CG 3.48Å; F188-Q192 PolarHBondContact O-N 2.98Å; E189-Q192 PolarHBondContact O-N 2.95Å; K190-Q192 VanDerWaalsContact C-N 3.28Å; K190-Q192 PolarHBondContact O-N 3.43Å; Q192-L194 VanDerWaalsContact C-N 3.28Å; Q192-L194 PolarHBondContact O-N 2.98Å; Q192-L195 CarbonylContact O-C 3.59Å; Q192-L195 WeakPolarHBondContact O-CA 3.46Å; Q192-L195 WeakPolarHBondContact O-CB 3.5Å; Q192-L195 PolarHBondContact O-N 3.19Å; Q192-E196 WeakPolarHBondContact O-CG 3.33Å; Q192-E196 PolarHBondContact O-N 3.38Å; Q192-L205 HydrophobicContact CG-CD2 3.6Å
193R86.9Confident76.6Confident67 Ų6778.6 Ų78.625%0.25337%0.372SS..Hα-helixtrans-62.2-32.8177.5-71.9-170-55.5-89.5-4.2113.6E189 K190E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 3.28Å; E189-R193 IonicContact OE2-NH1 3.27Å; K190-R193 PolarHBondContact O-N 3.49Å; K190-R193 VanDerWaalsContact O-N 3.13Å
194L86.3Confident76Confident10 Ų1083.3 Ų83.35%0.05239%0.391CS..Hα-helixtrans-73.2-31.9175-62.9-179.6000111.2K190 Y191 Q192 L294 I297 L298 Y301 R357 F426K190-L194 HydrophobicContact CD-CD1 4.47Å; K190-L194 HydrophobicContact CG-CD1 4.07Å; K190-L194 HydrophobicContact CG-CG 4.29Å; K190-L194 VanDerWaalsContact O-CG 3.31Å; K190-L194 WeakPolarHBondContact O-CG 3.46Å; K190-L194 PolarHBondContact O-N 3.23Å; Y191-L194 PolarHBondContact O-N 3.11Å; Q192-L194 VanDerWaalsContact C-N 3.28Å; Q192-L194 PolarHBondContact O-N 2.98Å; L194-L294 HydrophobicContact CD1-CD1 4.07Å; L194-I297 HydrophobicContact CB-CG2 3.67Å; L194-I297 HydrophobicContact CD1-CG2 4Å; L194-I297 HydrophobicContact CG-CG2 4.44Å; L194-L298 HydrophobicContact CD1-CD2 3.95Å; L194-Y301 HydrophobicContact CD1-CE2 4.45Å; L194-Y301 HydrophobicContact CD2-CE2 3.88Å; L194-R357 VanDerWaalsContact CD2-NH1 3.35Å; L194-F426 HydrophobicContact CD1-CZ 4.32Å; L194-F426 HydrophobicContact CD2-CZ 4.14Å
195L79.9Confident75.4Confident51 Ų5183.4 Ų83.427%0.26739%0.392SS..Hα-helixtrans-77.8-29.2175.5-80.1179.2000115Y191 Q192 K197 K198 I297Y191-L195 HydrophobicContact CD1-CD1 3.66Å; Y191-L195 HydrophobicContact CD1-CG 4.39Å; Y191-L195 HydrophobicContact CE1-CD1 3.2Å; Y191-L195 HydrophobicContact CE1-CG 4.11Å; Y191-L195 HydrophobicContact CE2-CD1 4.46Å; Y191-L195 HydrophobicContact CG-CD1 4.47Å; Y191-L195 WeakPolarHBondContact O-CB 3.44Å; Y191-L195 WeakPolarHBondContact O-CG 3.39Å; Y191-L195 PolarHBondContact O-N 3.5Å; Q192-L195 CarbonylContact O-C 3.59Å; Q192-L195 WeakPolarHBondContact O-CA 3.46Å; Q192-L195 WeakPolarHBondContact O-CB 3.5Å; Q192-L195 PolarHBondContact O-N 3.19Å; L195-K197 PolarHBondContact O-N 2.98Å; L195-K198 PolarHBondContact O-N 3.48Å; L195-I297 HydrophobicContact CD2-CD1 3.44Å; L195-I297 VanDerWaalsContact CD2-CD1 3.44Å; L195-I297 HydrophobicContact CG-CD1 3.67Å
196E65.7Low74.9Confident152 Ų15285.7 Ų85.771%0.7140%0.399SS*.THydrogen-bonded Turntrans-54.3-10.1-173.5-91.3175.8174.300114.7Q192Q192-E196 WeakPolarHBondContact O-CG 3.33Å; Q192-E196 PolarHBondContact O-N 3.38Å
197K54.5Low74.7Confident173 Ų17385.8 Ų85.875%0.75241%0.412SS*.THydrogen-bonded Turntrans-79.3-6.9168.7-75.7-173.2175.3-1800115.3L195L195-K197 PolarHBondContact O-N 2.98Å
198K51.9Low74.5Confident189 Ų18988 Ų8882%0.82242%0.423SS*.THydrogen-bonded Turntrans-142.7-22.1-171.4-69.2-168.7177.3179.30120.6L195L195-K198 PolarHBondContact O-N 3.48Å
199Q54.7Low74.4Confident150 Ų15088.9 Ų88.970%0.70143%0.429SS*.  trans-154.2159.4-174.2-74.4-169.3400115.1
200P54.9Low74.5Confident109 Ų10989.3 Ų89.371%0.70844%0.437SS*.SBendtrans-63.5161.5175.125.9-34.7000113.3H202P200-H202 PolarHBondContact O-N 3.34Å
201P56.7Low74.6Confident109 Ų10992.1 Ų92.171%0.70846%0.461SS*.  trans-55.7125.1-177.819.1-30.7000112R203P201-R203 PolarHBondContact O-N 3.41Å
202H67.6Low74.6Confident90 Ų9091.6 Ų91.642%0.41746%0.463SS..  trans-81.299.8-173.9-156.2-94.4000109.2P200 Q204 L205 E206P200-H202 PolarHBondContact O-N 3.34Å; H202-Q204 PolarHBondContact CE1-OE1 2.84Å; H202-Q204 WeakPolarHBondContact ND1-CB 3.43Å; H202-Q204 PolarHBondContact O-N 3.3Å; H202-L205 HydrophobicContact CB-CB 4.08Å; H202-L205 WeakPolarHBondContact O-CA 3.23Å; H202-L205 WeakPolarHBondContact O-CB 3.42Å; H202-L205 PolarHBondContact O-N 3.08Å; H202-E206 PolarHBondContact O-N 3.17Å
203R68.7Low75Confident219 Ų21990 Ų9083%0.82646%0.456SS*.Hα-helixtrans-53.3-28.3-178.3-158.5-179.8-161.9171.84.7113.8P201 A207P201-R203 PolarHBondContact O-N 3.41Å; R203-A207 PolarHBondContact O-N 3.28Å
204Q75.3Confident75.3Confident123 Ų12389.1 Ų89.158%0.57546%0.464SS*.Hα-helixtrans-69.8-31.9174.9-175177.8-0.700112.3H202 A207 E208H202-Q204 PolarHBondContact CE1-OE1 2.84Å; H202-Q204 WeakPolarHBondContact ND1-CB 3.43Å; H202-Q204 PolarHBondContact O-N 3.3Å; Q204-A207 WeakPolarHBondContact O-CB 3.48Å; Q204-A207 PolarHBondContact O-N 3.36Å; Q204-E208 WeakPolarHBondContact O-CG 3.27Å; Q204-E208 PolarHBondContact O-N 3.45Å
205L76.8Confident75.7Confident4 Ų491.3 Ų91.32%0.02148%0.48CS..Hα-helixtrans-67.5-42.4176.3-171.476.6000111.4F188 Y191 Q192 H202 A207 E208 V209 V291F188-L205 HydrophobicContact CD1-CD1 3.55Å; F188-L205 HydrophobicContact CD1-CD2 4.4Å; F188-L205 HydrophobicContact CD1-CG 3.77Å; F188-L205 HydrophobicContact CE1-CD1 3.58Å; F188-L205 HydrophobicContact CE1-CG 4.09Å; Y191-L205 HydrophobicContact CD1-CD1 3.53Å; Y191-L205 HydrophobicContact CD1-CD2 3.54Å; Y191-L205 HydrophobicContact CD1-CG 4.18Å; Y191-L205 HydrophobicContact CE1-CD1 3.56Å; Y191-L205 HydrophobicContact CE1-CD2 3.96Å; Y191-L205 HydrophobicContact CE1-CG 4.36Å; Q192-L205 HydrophobicContact CG-CD2 3.6Å; H202-L205 HydrophobicContact CB-CB 4.08Å; H202-L205 WeakPolarHBondContact O-CA 3.23Å; H202-L205 WeakPolarHBondContact O-CB 3.42Å; H202-L205 PolarHBondContact O-N 3.08Å; L205-A207 VanDerWaalsContact C-N 3.27Å; L205-A207 PolarHBondContact O-N 3.4Å; L205-E208 WeakPolarHBondContact O-CB 3.4Å; L205-E208 PolarHBondContact O-N 3.47Å; L205-V209 VanDerWaalsContact O-CG2 3.26Å; L205-V209 WeakPolarHBondContact O-CG2 3.09Å; L205-V209 PolarHBondContact O-N 2.95Å; L205-V291 HydrophobicContact CD1-CG1 4.01Å
206E79.7Confident76.3Confident101 Ų10189 Ų8947%0.47247%0.468SS..Hα-helixtrans-61.8-37.9175.4-66.5177.7170.300111.6H202 T210H202-E206 PolarHBondContact O-N 3.17Å; E206-T210 WeakPolarHBondContact O-CB 3.11Å; E206-T210 PolarHBondContact O-N 2.93Å; E206-T210 PolarHBondContact O-OG1 3Å
207A85.3Confident77.7Confident59 Ų5987.9 Ų87.949%0.48846%0.463SS..Hα-helixtrans-65.7-41.1174.400000111.8R203 Q204 L205 T210 A211R203-A207 PolarHBondContact O-N 3.28Å; Q204-A207 WeakPolarHBondContact O-CB 3.48Å; Q204-A207 PolarHBondContact O-N 3.36Å; L205-A207 VanDerWaalsContact C-N 3.27Å; L205-A207 PolarHBondContact O-N 3.4Å; A207-T210 PolarHBondContact O-N 2.94Å; A207-A211 WeakPolarHBondContact O-CB 3.44Å; A207-A211 PolarHBondContact O-N 3.39Å
208E85.1Confident79.6Confident48 Ų4885.4 Ų85.422%0.22445%0.453CS..Hα-helixtrans-63.1-45175.4-75.3174.2-151.900112.3F188 Q204 L205 T210 A211 A212F188-E208 HydrophobicContact CE1-CB 4.12Å; F188-E208 HydrophobicContact CZ-CB 4.16Å; Q204-E208 WeakPolarHBondContact O-CG 3.27Å; Q204-E208 PolarHBondContact O-N 3.45Å; L205-E208 WeakPolarHBondContact O-CB 3.4Å; L205-E208 PolarHBondContact O-N 3.47Å; E208-T210 VanDerWaalsContact C-N 3.32Å; E208-T210 PolarHBondContact O-N 3.4Å; E208-A211 PolarHBondContact O-N 3.42Å; E208-A212 WeakPolarHBondContact O-CB 3.29Å; E208-A212 PolarHBondContact O-N 2.76Å
209V86.3Confident81.6Confident25 Ų2577.3 Ų77.315%0.15242%0.419CS..Hα-helixtrans-55.7-51.3173.3178.10000110.1F188 L205 A211 A212 L213F188-V209 HydrophobicContact CB-CG2 3.61Å; F188-V209 HydrophobicContact CD1-CB 4.48Å; F188-V209 HydrophobicContact CD1-CG2 3.23Å; F188-V209 HydrophobicContact CD2-CB 4.23Å; F188-V209 HydrophobicContact CD2-CG1 4.36Å; F188-V209 HydrophobicContact CD2-CG2 3.53Å; F188-V209 HydrophobicContact CE1-CG2 3.61Å; F188-V209 HydrophobicContact CE2-CB 4.35Å; F188-V209 HydrophobicContact CE2-CG2 3.93Å; F188-V209 HydrophobicContact CG-CB 4.33Å; F188-V209 HydrophobicContact CG-CG2 3.19Å; F188-V209 HydrophobicContact CZ-CB 4.49Å; F188-V209 HydrophobicContact CZ-CG2 3.96Å; L205-V209 VanDerWaalsContact O-CG2 3.26Å; L205-V209 WeakPolarHBondContact O-CG2 3.09Å; L205-V209 PolarHBondContact O-N 2.95Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.45Å; V209-A212 PolarHBondContact O-N 2.95Å; V209-L213 HydrophobicContact CG1-CD1 3.8Å; V209-L213 HydrophobicContact CG1-CG 4.24Å; V209-L213 WeakPolarHBondContact O-CB 3.44Å; V209-L213 WeakPolarHBondContact O-CG 3.19Å; V209-L213 PolarHBondContact O-N 2.92Å
210T87.9Confident83.5Confident92 Ų9270.9 Ų70.956%0.56439%0.391SS*.Hα-helixtrans-63.5-41.3-175-56.20000110.7E206 A207 E208 A214E206-T210 WeakPolarHBondContact O-CB 3.11Å; E206-T210 PolarHBondContact O-N 2.93Å; E206-T210 PolarHBondContact O-OG1 3Å; A207-T210 PolarHBondContact O-N 2.94Å; E208-T210 VanDerWaalsContact C-N 3.32Å; E208-T210 PolarHBondContact O-N 3.4Å; T210-A214 VanDerWaalsContact O-CB 3.29Å; T210-A214 WeakPolarHBondContact O-CB 3.44Å; T210-A214 PolarHBondContact O-N 3.26Å
211A90.3Very high85.4Confident62 Ų6268.4 Ų68.451%0.51238%0.38SS..Hα-helixtrans-65-44.417600000112.3A207 E208 V209 A214 S215A207-A211 WeakPolarHBondContact O-CB 3.44Å; A207-A211 PolarHBondContact O-N 3.39Å; E208-A211 PolarHBondContact O-N 3.42Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.45Å; A211-A214 PolarHBondContact O-N 2.86Å; A211-S215 WeakPolarHBondContact O-CB 3.41Å; A211-S215 PolarHBondContact O-N 2.86Å
212A89.4Confident87.3Confident21 Ų2167.5 Ų67.517%0.17437%0.366CS..Hα-helixtrans-63.1-43.5177.200000111.8I184 E208 V209 S215 L216 T287I184-A212 HydrophobicContact CD1-CB 4.43Å; I184-A212 HydrophobicContact CG2-CB 4.32Å; E208-A212 WeakPolarHBondContact O-CB 3.29Å; E208-A212 PolarHBondContact O-N 2.76Å; V209-A212 PolarHBondContact O-N 2.95Å; A212-S215 PolarHBondContact O-N 2.94Å; A212-L216 WeakPolarHBondContact O-CB 3.4Å; A212-L216 PolarHBondContact O-N 3.36Å; A212-T287 WeakPolarHBondContact O-CG2 3.39Å
213L91.9Very high88.6Confident36 Ų3664 Ų6419%0.18835%0.351CS..Hα-helixtrans-65.1-40.4176-70.3179000112.2K181 I184 V185 V209 L216 Q217K181-L213 HydrophobicContact CG-CD2 3.88Å; I184-L213 HydrophobicContact CB-CD2 4.23Å; I184-L213 HydrophobicContact CD1-CD2 4.41Å; I184-L213 HydrophobicContact CG2-CD2 3.84Å; I184-L213 HydrophobicContact CG2-CG 4.12Å; V185-L213 HydrophobicContact CG2-CD1 4.3Å; V185-L213 HydrophobicContact CG2-CD2 4.39Å; V209-L213 HydrophobicContact CG1-CD1 3.8Å; V209-L213 HydrophobicContact CG1-CG 4.24Å; V209-L213 WeakPolarHBondContact O-CB 3.44Å; V209-L213 WeakPolarHBondContact O-CG 3.19Å; V209-L213 PolarHBondContact O-N 2.92Å; L213-L216 PolarHBondContact O-N 3.3Å; L213-Q217 WeakPolarHBondContact O-CB 3.39Å; L213-Q217 VanDerWaalsContact O-CG 3.27Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 2.91Å
214A93.4Very high89.8Confident49 Ų4955.5 Ų55.541%0.40532%0.322SS..Hα-helixtrans-64.6-43176.500000111.9T210 A211 Q217 Q218T210-A214 VanDerWaalsContact O-CB 3.29Å; T210-A214 WeakPolarHBondContact O-CB 3.44Å; T210-A214 PolarHBondContact O-N 3.26Å; A211-A214 PolarHBondContact O-N 2.86Å; A214-Q217 PolarHBondContact O-N 2.89Å; A214-Q218 PolarHBondContact O-N 3.38Å
215S93.2Very high90.7Very high56 Ų5655.3 Ų55.339%0.39232%0.321SS..Hα-helixtrans-58.8-47.1174-178.60000111.6A211 A212 Q217 Q218 E219 T287A211-S215 WeakPolarHBondContact O-CB 3.41Å; A211-S215 PolarHBondContact O-N 2.86Å; A212-S215 PolarHBondContact O-N 2.94Å; S215-Q217 VanDerWaalsContact C-N 3.33Å; S215-Q217 PolarHBondContact O-N 3.36Å; S215-Q218 PolarHBondContact O-N 2.88Å; S215-E219 WeakPolarHBondContact O-CB 3.36Å; S215-E219 PolarHBondContact O-N 2.88Å; S215-T287 PolarHBondContact OG-OG1 2.89Å; S215-T287 VanDerWaalsContact OG-OG1 3.12Å
216L93.4Very high91.6Very high3 Ų360.2 Ų60.22%0.01634%0.342CS..Hα-helixtrans-62-41.2177.7179.364.2000111.8V177 R180 K181 I184 A212 L213 E219 A220 L285 T287V177-L216 HydrophobicContact CG1-CG 4.42Å; R180-L216 HydrophobicContact CB-CD1 4.22Å; R180-L216 HydrophobicContact CB-CD2 4.05Å; R180-L216 HydrophobicContact CG-CD1 3.84Å; R180-L216 HydrophobicContact CG-CD2 3.88Å; K181-L216 HydrophobicContact CB-CD2 3.81Å; I184-L216 HydrophobicContact CD1-CD2 4.01Å; A212-L216 WeakPolarHBondContact O-CB 3.4Å; A212-L216 PolarHBondContact O-N 3.36Å; L213-L216 PolarHBondContact O-N 3.3Å; L216-E219 PolarHBondContact O-N 3.46Å; L216-A220 WeakPolarHBondContact O-CB 3.37Å; L216-A220 PolarHBondContact O-N 2.87Å; L216-L285 HydrophobicContact CD1-CD2 3.63Å; L216-T287 HydrophobicContact CB-CG2 3.99Å; L216-T287 PolarHBondContact N-OG1 3.13Å
217Q94.2Very high92.3Very high128 Ų12855.4 Ų55.460%0.59832%0.32SS*.Hα-helixtrans-64.6-41.6177.9-78176.4-20.900112.1L213 A214 S215 A220 A221L213-Q217 WeakPolarHBondContact O-CB 3.39Å; L213-Q217 VanDerWaalsContact O-CG 3.27Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 2.91Å; A214-Q217 PolarHBondContact O-N 2.89Å; S215-Q217 VanDerWaalsContact C-N 3.33Å; S215-Q217 PolarHBondContact O-N 3.36Å; Q217-A220 PolarHBondContact O-N 3.08Å; Q217-A221 WeakPolarHBondContact O-CB 3.48Å; Q217-A221 PolarHBondContact O-N 3.31Å
218Q95.1Very high92.6Very high120 Ų12057.3 Ų57.356%0.56132%0.319SS*.Hα-helixtrans-62.7-50.3175.9-178.7179.2-14.400110.9A214 S215 A220 A221 E222A214-Q218 PolarHBondContact O-N 3.38Å; S215-Q218 PolarHBondContact O-N 2.88Å; Q218-A220 VanDerWaalsContact C-N 3.31Å; Q218-A220 PolarHBondContact O-N 3.33Å; Q218-A221 PolarHBondContact O-N 3.36Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.39Å; Q218-E222 PolarHBondContact NE2-OE1 3.4Å; Q218-E222 WeakPolarHBondContact O-CG 3.49Å; Q218-E222 PolarHBondContact O-N 3Å
219E94Very high93.1Very high20 Ų2060.2 Ų60.29%0.09334%0.335CS..Hα-helixtrans-58.9-42.1177.2179.7174.4-167.300112.2W173 S215 L216 A221 T223 L285 K286 T287W173-E219 HydrophobicContact CH2-CG 4.32Å; W173-E219 HydrophobicContact CZ2-CG 4.43Å; S215-E219 WeakPolarHBondContact O-CB 3.36Å; S215-E219 PolarHBondContact O-N 2.88Å; L216-E219 PolarHBondContact O-N 3.46Å; E219-A221 PolarHBondContact O-N 3.03Å; E219-T223 WeakPolarHBondContact O-CB 3.42Å; E219-T223 PolarHBondContact O-N 3.01Å; E219-T223 VanDerWaalsContact O-N 3.11Å; E219-T223 PolarHBondContact O-OG1 3.1Å; E219-L285 WeakPolarHBondContact OE1-CA 3.5Å; E219-K286 WeakPolarHBondContact OE1-CB 3.46Å; E219-K286 WeakPolarHBondContact OE1-CG 3.43Å; E219-K286 PolarHBondContact OE1-N 3.44Å; E219-K286 PolarHBondContact OE2-N 2.91Å; E219-T287 WeakPolarHBondContact OE2-CB 3.31Å; E219-T287 PolarHBondContact OE2-N 3.19Å; E219-T287 PolarHBondContact OE2-OG1 2.94Å
220A94.4Very high93.4Very high15 Ų1560.2 Ų60.212%0.12433%0.334CS..Hα-helixtrans-59.3-46.2175.800000112W173 V177 L216 Q217 Q218 L224W173-A220 PolarHBondContact NE1-O 2.96Å; V177-A220 HydrophobicContact CB-CB 4.35Å; V177-A220 HydrophobicContact CG1-CB 3.65Å; V177-A220 HydrophobicContact CG2-CB 3.72Å; L216-A220 WeakPolarHBondContact O-CB 3.37Å; L216-A220 PolarHBondContact O-N 2.87Å; Q217-A220 PolarHBondContact O-N 3.08Å; Q218-A220 VanDerWaalsContact C-N 3.31Å; Q218-A220 PolarHBondContact O-N 3.33Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 PolarHBondContact O-N 3.32Å
221A95.7Very high93.6Very high57 Ų5757.6 Ų57.647%0.47132%0.316SS..Hα-helixtrans-66.6-45.9-179.400000112.1Q217 Q218 E219 T223 L224 Q225Q217-A221 WeakPolarHBondContact O-CB 3.48Å; Q217-A221 PolarHBondContact O-N 3.31Å; Q218-A221 PolarHBondContact O-N 3.36Å; E219-A221 PolarHBondContact O-N 3.03Å; A221-T223 PolarHBondContact O-N 3.12Å; A221-L224 PolarHBondContact O-N 3.06Å; A221-Q225 WeakPolarHBondContact O-CB 3.47Å; A221-Q225 PolarHBondContact O-N 2.68Å
222E95.2Very high93.7Very high90 Ų9058.1 Ų58.142%0.42132%0.315SS..Hα-helixtrans-61.4-44.9179.5-72.1177.1-166.100112.1Q218 K226Q218-E222 WeakPolarHBondContact CG-OE1 3.39Å; Q218-E222 PolarHBondContact NE2-OE1 3.4Å; Q218-E222 WeakPolarHBondContact O-CG 3.49Å; Q218-E222 PolarHBondContact O-N 3Å; E222-K226 WeakPolarHBondContact O-CG 3.34Å; E222-K226 PolarHBondContact O-N 3.5Å
223T94.8Very high93.8Very high16 Ų1661.9 Ų61.910%0.09833%0.329CS..Hα-helixtrans-71.2-40178.7-61.90000111.6W173 E219 A221 K226 L227 I281 L283W173-T223 HydrophobicContact CD2-CG2 3.85Å; W173-T223 VanDerWaalsContact CE2-CG2 3.5Å; W173-T223 HydrophobicContact CE3-CG2 4.31Å; W173-T223 HydrophobicContact CG-CG2 4.31Å; W173-T223 HydrophobicContact CH2-CG2 4.1Å; W173-T223 HydrophobicContact CZ2-CG2 3.65Å; W173-T223 HydrophobicContact CZ3-CG2 4.42Å; E219-T223 WeakPolarHBondContact O-CB 3.42Å; E219-T223 PolarHBondContact O-N 3.01Å; E219-T223 VanDerWaalsContact O-N 3.11Å; E219-T223 PolarHBondContact O-OG1 3.1Å; A221-T223 PolarHBondContact O-N 3.12Å; T223-K226 PolarHBondContact O-N 2.97Å; T223-L227 HydrophobicContact CG2-CD1 4.18Å; T223-L227 WeakPolarHBondContact O-CG 3.4Å; T223-L227 PolarHBondContact O-N 2.91Å; T223-L227 VanDerWaalsContact O-N 3.08Å; T223-I281 HydrophobicContact CG2-CG2 3.96Å; T223-L283 HydrophobicContact CG2-CD2 4.1Å
224L94.8Very high94Very high40 Ų4060.2 Ų60.221%0.20932%0.32CS..Hα-helixtrans-63.1-42.9177.5-17863.3000111.4T170 A220 A221 K226 L227 E228T170-L224 HydrophobicContact CG2-CD1 3.76Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 PolarHBondContact O-N 3.32Å; A221-L224 PolarHBondContact O-N 3.06Å; L224-K226 VanDerWaalsContact C-N 3.3Å; L224-K226 PolarHBondContact O-N 3.44Å; L224-L227 PolarHBondContact O-N 3.19Å; L224-L227 VanDerWaalsContact O-N 3.17Å; L224-E228 HydrophobicContact CD1-CG 4.35Å; L224-E228 HydrophobicContact CG-CG 4.41Å; L224-E228 WeakPolarHBondContact O-CG 3.45Å; L224-E228 PolarHBondContact O-N 3.36Å
225Q94.9Very high93.8Very high119 Ų11960 Ų6056%0.55631%0.312SS*.Hα-helixtrans-57.6-43.5176.4-174.3-177.123.900111.6A221 E228 L229A221-Q225 WeakPolarHBondContact O-CB 3.47Å; A221-Q225 PolarHBondContact O-N 2.68Å; Q225-E228 PolarHBondContact O-N 3.37Å; Q225-L229 HydrophobicContact CG-CD1 4.33Å; Q225-L229 VanDerWaalsContact O-CG 3.28Å; Q225-L229 WeakPolarHBondContact O-CG 3.19Å; Q225-L229 PolarHBondContact O-N 3.34Å
226K95.1Very high93.6Very high108 Ų10861.6 Ų61.647%0.4731%0.313SS..Hα-helixtrans-64.5-41.1177.4-66.6172-173.6173.60112.1E222 T223 L224 L229 N230 I281E222-K226 WeakPolarHBondContact O-CG 3.34Å; E222-K226 PolarHBondContact O-N 3.5Å; T223-K226 PolarHBondContact O-N 2.97Å; L224-K226 VanDerWaalsContact C-N 3.3Å; L224-K226 PolarHBondContact O-N 3.44Å; K226-L229 PolarHBondContact O-N 3.37Å; K226-N230 PolarHBondContact O-N 2.78Å; K226-I281 VanDerWaalsContact C-CD1 3.47Å; K226-I281 HydrophobicContact CB-CD1 3.46Å; K226-I281 VanDerWaalsContact CB-CD1 3.46Å; K226-I281 HydrophobicContact CB-CG1 4.11Å
227L93.9Very high93.6Very high0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-65.2-39.7176.6-70167.2000111.8R169 W173 T223 L224 N230 H231 I281 L283R169-L227 HydrophobicContact CB-CD2 4.28Å; W173-L227 HydrophobicContact CB-CD1 4.12Å; W173-L227 HydrophobicContact CG-CD1 4.2Å; T223-L227 HydrophobicContact CG2-CD1 4.18Å; T223-L227 WeakPolarHBondContact O-CG 3.4Å; T223-L227 PolarHBondContact O-N 2.91Å; T223-L227 VanDerWaalsContact O-N 3.08Å; L224-L227 PolarHBondContact O-N 3.19Å; L224-L227 VanDerWaalsContact O-N 3.17Å; L227-N230 PolarHBondContact O-N 3.4Å; L227-H231 WeakPolarHBondContact O-CB 3.26Å; L227-H231 PolarHBondContact O-N 3.29Å; L227-I281 HydrophobicContact CD2-CD1 3.77Å; L227-I281 HydrophobicContact CG-CD1 3.97Å; L227-L283 HydrophobicContact CD1-CD2 4.05Å; L227-L283 HydrophobicContact CD2-CD2 4.36Å
228E92.6Very high93.4Very high99 Ų9956.4 Ų56.446%0.46329%0.29SS..Hα-helixtrans-67-38176.5-73.9174.5175.100112.3L224 Q225 H231 S232L224-E228 HydrophobicContact CD1-CG 4.35Å; L224-E228 HydrophobicContact CG-CG 4.41Å; L224-E228 WeakPolarHBondContact O-CG 3.45Å; L224-E228 PolarHBondContact O-N 3.36Å; Q225-E228 PolarHBondContact O-N 3.37Å; E228-H231 PolarHBondContact O-N 2.89Å; E228-S232 WeakPolarHBondContact O-CB 3.49Å; E228-S232 PolarHBondContact O-N 2.95Å; E228-S232 PolarHBondContact O-OG 3.45Å
229L94.3Very high93Very high108 Ų10857.8 Ų57.857%0.56529%0.29SS*.Hα-helixtrans-62.1-48.9171.7-73.4168.7000111.2Q225 K226 H231 S232 E233Q225-L229 HydrophobicContact CG-CD1 4.33Å; Q225-L229 VanDerWaalsContact O-CG 3.28Å; Q225-L229 WeakPolarHBondContact O-CG 3.19Å; Q225-L229 PolarHBondContact O-N 3.34Å; K226-L229 PolarHBondContact O-N 3.37Å; L229-H231 VanDerWaalsContact C-N 3.31Å; L229-H231 PolarHBondContact O-N 3.28Å; L229-S232 PolarHBondContact O-N 3.5Å; L229-E233 WeakPolarHBondContact O-CB 3.37Å; L229-E233 PolarHBondContact O-N 3.12Å
230N93.9Very high92.7Very high25 Ų2558.4 Ų58.413%0.13430%0.296CS..Hα-helixtrans-56.2-45175.5-78.70.9000112E166 K226 L227 L234 P278 E279 I281E166-N230 HydrophobicContact CG-CB 4.45Å; E166-N230 PolarHBondContact OE2-ND2 3Å; K226-N230 PolarHBondContact O-N 2.78Å; L227-N230 PolarHBondContact O-N 3.4Å; N230-L234 WeakPolarHBondContact O-CG 3.4Å; N230-L234 PolarHBondContact O-N 3.49Å; N230-L234 VanDerWaalsContact O-N 3.14Å; N230-P278 HydrophobicContact CB-CB 3.78Å; N230-P278 HydrophobicContact CB-CG 4.23Å; N230-P278 WeakPolarHBondContact ND2-CB 3.46Å; N230-E279 PolarHBondContact ND2-O 2.92Å; N230-I281 WeakPolarHBondContact ND2-CD1 3.44Å
231H91.4Very high92.4Very high38 Ų3857.7 Ų57.718%0.17629%0.29CS..Hα-helixtrans-65.8-43.2179.5-173.154.6000112.1E163 L227 E228 L229 E233 L234 I235E163-H231 WeakPolarHBondContact CG-CE1 3.44Å; E163-H231 IonicContact OE1-CE1 2.65Å; L227-H231 WeakPolarHBondContact O-CB 3.26Å; L227-H231 PolarHBondContact O-N 3.29Å; E228-H231 PolarHBondContact O-N 2.89Å; L229-H231 VanDerWaalsContact C-N 3.31Å; L229-H231 PolarHBondContact O-N 3.28Å; H231-E233 PolarHBondContact O-N 2.66Å; H231-L234 PolarHBondContact O-N 2.81Å; H231-I235 WeakPolarHBondContact O-CG1 3.32Å; H231-I235 PolarHBondContact O-N 3.4Å
232S91.3Very high91.9Very high72 Ų7261.9 Ų61.950%0.50329%0.293SS..Hα-helixtrans-63.6-41.1179.2-60.20000112E228 L229 I235 Q236E228-S232 WeakPolarHBondContact O-CB 3.49Å; E228-S232 PolarHBondContact O-N 2.95Å; E228-S232 PolarHBondContact O-OG 3.45Å; L229-S232 PolarHBondContact O-N 3.5Å; S232-I235 PolarHBondContact O-N 3.32Å; S232-Q236 WeakPolarHBondContact O-CB 3.38Å; S232-Q236 PolarHBondContact O-N 2.72Å
233E93.6Very high91.4Very high101 Ų10165.1 Ų65.147%0.47230%0.302SS..Hα-helixtrans-63.9-43.8177.1-177.451.6-136.800111.5L229 H231 I235 Q236 Q237L229-E233 WeakPolarHBondContact O-CB 3.37Å; L229-E233 PolarHBondContact O-N 3.12Å; H231-E233 PolarHBondContact O-N 2.66Å; E233-I235 PolarHBondContact O-N 2.93Å; E233-Q236 PolarHBondContact O-N 2.71Å; E233-Q237 WeakPolarHBondContact O-CG 3.42Å; E233-Q237 PolarHBondContact O-N 3.03Å; E233-Q237 PolarHBondContact OE1-NE2 3.21Å; E233-Q237 VanDerWaalsContact OE1-NE2 3.15Å
234L94.3Very high90.9Very high0 Ų064.8 Ų64.80%030%0.299CS..Hα-helixtrans-61.7-42.9174.4-74.6172.6000112.6L162 E166 N230 H231 Q236 Q237 S238 L275 P278L162-L234 HydrophobicContact CB-CD1 3.79Å; L162-L234 HydrophobicContact CB-CD2 3.97Å; L162-L234 HydrophobicContact CD1-CD2 4.04Å; E166-L234 HydrophobicContact CG-CD1 3.8Å; N230-L234 WeakPolarHBondContact O-CG 3.4Å; N230-L234 PolarHBondContact O-N 3.49Å; N230-L234 VanDerWaalsContact O-N 3.14Å; H231-L234 PolarHBondContact O-N 2.81Å; L234-Q236 VanDerWaalsContact C-N 3.27Å; L234-Q236 PolarHBondContact O-N 3.03Å; L234-Q237 PolarHBondContact O-N 3.49Å; L234-S238 VanDerWaalsContact O-CB 3.27Å; L234-S238 WeakPolarHBondContact O-CB 3.37Å; L234-S238 PolarHBondContact O-N 3.31Å; L234-L275 HydrophobicContact CD2-CD1 4.5Å; L234-P278 HydrophobicContact CD1-CG 3.78Å; L234-P278 HydrophobicContact CD2-CG 3.99Å; L234-P278 HydrophobicContact CG-CG 3.75Å
235I89.4Confident90.3Very high46 Ų4663.1 Ų63.124%0.23629%0.29CS..Hα-helixtrans-60.3-41.9175.5-72.6169.3000110.2H231 S232 E233 S238 R239H231-I235 WeakPolarHBondContact O-CG1 3.32Å; H231-I235 PolarHBondContact O-N 3.4Å; S232-I235 PolarHBondContact O-N 3.32Å; E233-I235 PolarHBondContact O-N 2.93Å; I235-S238 WeakPolarHBondContact O-CB 3.34Å; I235-S238 PolarHBondContact O-N 3.47Å; I235-R239 WeakPolarHBondContact O-CG 3.45Å; I235-R239 PolarHBondContact O-N 2.85Å
236Q89.6Confident89.6Confident88 Ų8859.7 Ų59.741%0.41128%0.282SS..Hα-helixtrans-66.8-44-180-174.960.510.800111.9S232 E233 L234 R239 V240S232-Q236 WeakPolarHBondContact O-CB 3.38Å; S232-Q236 PolarHBondContact O-N 2.72Å; E233-Q236 PolarHBondContact O-N 2.71Å; L234-Q236 VanDerWaalsContact C-N 3.27Å; L234-Q236 PolarHBondContact O-N 3.03Å; Q236-R239 WeakPolarHBondContact O-CB 3.47Å; Q236-R239 PolarHBondContact O-N 2.89Å; Q236-V240 WeakPolarHBondContact O-CG2 3.43Å; Q236-V240 PolarHBondContact O-N 3.32Å; Q236-V240 VanDerWaalsContact O-N 3.13Å
237Q93.7Very high89.1Confident11 Ų1157.4 Ų57.45%0.05127%0.273CS..Hα-helixtrans-62.1-43174.5-71.2-178.961.100112E233 L234 R239 V240 L241 W273 L275 Q276E233-Q237 WeakPolarHBondContact O-CG 3.42Å; E233-Q237 PolarHBondContact O-N 3.03Å; E233-Q237 PolarHBondContact OE1-NE2 3.21Å; E233-Q237 VanDerWaalsContact OE1-NE2 3.15Å; L234-Q237 PolarHBondContact O-N 3.49Å; Q237-R239 VanDerWaalsContact C-N 3.32Å; Q237-R239 PolarHBondContact O-N 2.91Å; Q237-V240 WeakPolarHBondContact O-CB 3.43Å; Q237-V240 PolarHBondContact O-N 3.47Å; Q237-V240 VanDerWaalsContact O-N 3.07Å; Q237-L241 PolarHBondContact O-N 2.97Å; Q237-W273 HydrophobicContact CB-CZ2 4.33Å; Q237-L275 HydrophobicContact CB-CD1 4.33Å; Q237-Q276 PolarHBondContact NE2-O 2.85Å
238S89.1Confident88.6Confident12 Ų1257.5 Ų57.58%0.08427%0.274CS..Hα-helixtrans-56.5-43.6174179.20000111.7Q156 L234 I235 V240 L241 W242Q156-S238 PolarHBondContact NE2-OG 3.37Å; Q156-S238 PolarHBondContact OE1-O 2.88Å; L234-S238 VanDerWaalsContact O-CB 3.27Å; L234-S238 WeakPolarHBondContact O-CB 3.37Å; L234-S238 PolarHBondContact O-N 3.31Å; I235-S238 WeakPolarHBondContact O-CB 3.34Å; I235-S238 PolarHBondContact O-N 3.47Å; S238-V240 VanDerWaalsContact C-N 3.33Å; S238-V240 PolarHBondContact O-N 3.24Å; S238-L241 PolarHBondContact O-N 3.43Å; S238-W242 PolarHBondContact O-N 3.19Å
239R86.7Confident87.9Confident149 Ų14957 Ų5756%0.56227%0.27SS*.Hα-helixtrans-63.5-34.9175-71.8170.1179.9176.9-0113.2I235 Q236 Q237 R243I235-R239 WeakPolarHBondContact O-CG 3.45Å; I235-R239 PolarHBondContact O-N 2.85Å; Q236-R239 WeakPolarHBondContact O-CB 3.47Å; Q236-R239 PolarHBondContact O-N 2.89Å; Q237-R239 VanDerWaalsContact C-N 3.32Å; Q237-R239 PolarHBondContact O-N 2.91Å; R239-R243 WeakPolarHBondContact O-CG 3.35Å; R239-R243 PolarHBondContact O-N 3.21Å; R239-R243 PolarHBondContact O-NE 3.02Å
240V87.3Confident87.3Confident33 Ų3355 Ų5520%0.226%0.258CS..Hα-helixtrans-68.8-48.3175.6178.80000110.3Q236 Q237 S238 W242 R243 M244 W273Q236-V240 WeakPolarHBondContact O-CG2 3.43Å; Q236-V240 PolarHBondContact O-N 3.32Å; Q236-V240 VanDerWaalsContact O-N 3.13Å; Q237-V240 WeakPolarHBondContact O-CB 3.43Å; Q237-V240 PolarHBondContact O-N 3.47Å; Q237-V240 VanDerWaalsContact O-N 3.07Å; S238-V240 VanDerWaalsContact C-N 3.33Å; S238-V240 PolarHBondContact O-N 3.24Å; V240-W242 PolarHBondContact O-N 3.13Å; V240-R243 VanDerWaalsContact CG2-NH2 3.34Å; V240-R243 WeakPolarHBondContact O-CB 3.49Å; V240-R243 PolarHBondContact O-N 3.48Å; V240-R243 VanDerWaalsContact O-N 3.1Å; V240-M244 HydrophobicContact CG1-CG 4.44Å; V240-M244 HydrophobicContact CG1-SD 3.91Å; V240-M244 WeakPolarHBondContact O-CG 3.44Å; V240-M244 PolarHBondContact O-N 3Å; V240-W273 HydrophobicContact CB-CH2 3.65Å; V240-W273 HydrophobicContact CB-CZ2 4.28Å; V240-W273 HydrophobicContact CB-CZ3 4.22Å; V240-W273 HydrophobicContact CG1-CE3 4.27Å; V240-W273 HydrophobicContact CG1-CH2 3.37Å; V240-W273 HydrophobicContact CG1-CZ2 4.23Å; V240-W273 HydrophobicContact CG1-CZ3 3.4Å; V240-W273 HydrophobicContact CG2-CH2 4.28Å
241L89.8Confident86.7Confident0 Ų054.8 Ų54.80%026%0.255CS..Hα-helixtrans-55.1-47.7176.4-81.9170.7000112.1L152 E155 Q156 A159 Q237 S238 R243 M244 I245 W273L152-L241 HydrophobicContact CB-CD2 4.3Å; L152-L241 HydrophobicContact CD2-CD2 3.78Å; E155-L241 HydrophobicContact CB-CD1 4.08Å; E155-L241 HydrophobicContact CB-CD2 3.95Å; Q156-L241 HydrophobicContact CB-CD1 4.4Å; A159-L241 HydrophobicContact CB-CD1 4.29Å; Q237-L241 PolarHBondContact O-N 2.97Å; S238-L241 PolarHBondContact O-N 3.43Å; L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 3.45Å; L241-M244 PolarHBondContact O-N 3.34Å; L241-I245 WeakPolarHBondContact O-CB 3.43Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.05Å; L241-W273 VanDerWaalsContact CD2-CD1 3.42Å; L241-W273 HydrophobicContact CD2-CD2 4.3Å; L241-W273 HydrophobicContact CD2-CG 4.11Å; L241-W273 HydrophobicContact CD2-CZ2 4.45Å; L241-W273 HydrophobicContact CG-CZ2 4.02Å
242W84.8Confident86Confident144 Ų14455.2 Ų55.255%0.54526%0.263SS..Hα-helixtrans-57.4-40.7176-85.7112.5000113.4Q156 S238 V240 A246Q156-W242 HydrophobicContact CG-CZ2 4.3Å; S238-W242 PolarHBondContact O-N 3.19Å; V240-W242 PolarHBondContact O-N 3.13Å; W242-A246 WeakPolarHBondContact O-CB 3.39Å; W242-A246 PolarHBondContact O-N 3.26Å
243R83.9Confident85.3Confident158 Ų15859.5 Ų59.560%0.59627%0.274SS*.Hα-helixtrans-64.9-45.5176.5-75.8-177.4-71.1164.7-2.5111.4R239 V240 L241 A246 E247R239-R243 WeakPolarHBondContact O-CG 3.35Å; R239-R243 PolarHBondContact O-N 3.21Å; R239-R243 PolarHBondContact O-NE 3.02Å; V240-R243 VanDerWaalsContact CG2-NH2 3.34Å; V240-R243 WeakPolarHBondContact O-CB 3.49Å; V240-R243 PolarHBondContact O-N 3.48Å; V240-R243 VanDerWaalsContact O-N 3.1Å; L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 3.45Å; R243-A246 PolarHBondContact O-N 3.39Å; R243-E247 WeakPolarHBondContact O-CB 3.38Å; R243-E247 PolarHBondContact O-N 3.03Å
244M83.7Confident84.5Confident10 Ų1059.3 Ų59.35%0.04927%0.269CS..Hα-helixtrans-64.8-42.2178.4-65.3173.864.300111.7L152 V240 L241 A246 E247 L248 R269 W273L152-M244 HydrophobicContact CD1-CB 3.58Å; L152-M244 HydrophobicContact CD1-CE 4.04Å; L152-M244 HydrophobicContact CD2-CE 3.97Å; V240-M244 HydrophobicContact CG1-CG 4.44Å; V240-M244 HydrophobicContact CG1-SD 3.91Å; V240-M244 WeakPolarHBondContact O-CG 3.44Å; V240-M244 PolarHBondContact O-N 3Å; L241-M244 PolarHBondContact O-N 3.34Å; M244-A246 VanDerWaalsContact C-N 3.35Å; M244-A246 PolarHBondContact O-N 3.21Å; M244-E247 PolarHBondContact O-N 2.98Å; M244-L248 WeakPolarHBondContact O-CG 3.48Å; M244-L248 PolarHBondContact O-N 3.17Å; M244-R269 HydrophobicContact CE-CG 4.05Å; M244-R269 WeakPolarHBondContact CE-O 3.41Å; M244-W273 HydrophobicContact CE-CB 4.16Å; M244-W273 HydrophobicContact CE-CE3 4.36Å; M244-W273 HydrophobicContact SD-CD2 4.14Å; M244-W273 HydrophobicContact SD-CE3 3.75Å; M244-W273 HydrophobicContact SD-CZ3 4.26Å
245I83.7Confident83.7Confident4 Ų462.7 Ų62.72%0.02129%0.292CS..Hα-helixtrans-59.5-45.6173.9-72.1168000111L149 L152 K153 Q156 L241 L248 K249L149-I245 HydrophobicContact CD1-CB 4.31Å; L149-I245 HydrophobicContact CD1-CG1 4.41Å; L149-I245 HydrophobicContact CD1-CG2 3.83Å; L152-I245 HydrophobicContact CB-CD1 4.26Å; L152-I245 HydrophobicContact CB-CG1 3.7Å; L152-I245 HydrophobicContact CD1-CG1 4.41Å; K153-I245 HydrophobicContact CG-CD1 4.41Å; Q156-I245 HydrophobicContact CB-CD1 3.94Å; Q156-I245 HydrophobicContact CG-CD1 4.27Å; L241-I245 WeakPolarHBondContact O-CB 3.43Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.05Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-K249 HydrophobicContact CG2-CD 4.2Å; I245-K249 WeakPolarHBondContact O-CB 3.48Å; I245-K249 WeakPolarHBondContact O-CG 3.44Å; I245-K249 PolarHBondContact O-N 2.91Å
246A79.6Confident83.1Confident47 Ų4762.1 Ų62.139%0.38829%0.29SS..Hα-helixtrans-64.3-41.2178.700000111.7W242 R243 M244 K249 E250W242-A246 WeakPolarHBondContact O-CB 3.39Å; W242-A246 PolarHBondContact O-N 3.26Å; R243-A246 PolarHBondContact O-N 3.39Å; M244-A246 VanDerWaalsContact C-N 3.35Å; M244-A246 PolarHBondContact O-N 3.21Å; A246-K249 PolarHBondContact O-N 3.08Å; A246-E250 WeakPolarHBondContact O-CB 3.36Å; A246-E250 PolarHBondContact O-N 2.88Å
247E83.9Confident82.5Confident60 Ų6059 Ų5928%0.2828%0.275SS..Hα-helixtrans-61.8-49175.8-176.9-177.9170.100111.7R243 M244 K249 E250 R251 V266 R269R243-E247 WeakPolarHBondContact O-CB 3.38Å; R243-E247 PolarHBondContact O-N 3.03Å; M244-E247 PolarHBondContact O-N 2.98Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.3Å; E247-E250 PolarHBondContact O-N 3.35Å; E247-R251 VanDerWaalsContact O-CB 3.28Å; E247-R251 WeakPolarHBondContact O-CB 3.33Å; E247-R251 PolarHBondContact O-N 3.04Å; E247-R251 IonicContact OE1-NH1 2.81Å; E247-V266 WeakPolarHBondContact OE1-CG2 3.29Å; E247-R269 IonicContact OE1-NH2 3.71Å; E247-R269 PolarHBondContact OE1-NH2 2.84Å; E247-R269 IonicContact OE2-CZ 3.76Å; E247-R269 IonicContact OE2-NH2 2.83Å; E247-R269 PolarHBondContact OE2-NH2 3.43Å
248L83.8Confident81.6Confident2 Ų261.9 Ų61.91%0.0129%0.285CS..Hα-helixtrans-62.7-40.5178.3-68-173.5000112.2L145 A148 L149 L152 M244 I245 R251 S252 V266L145-L248 HydrophobicContact CD2-CD2 3.7Å; A148-L248 HydrophobicContact CB-CD1 3.86Å; L149-L248 HydrophobicContact CB-CB 4.42Å; L149-L248 HydrophobicContact CB-CD1 4.13Å; L149-L248 HydrophobicContact CD1-CB 4.29Å; L152-L248 HydrophobicContact CD1-CD1 3.66Å; L152-L248 HydrophobicContact CD1-CG 4.47Å; M244-L248 WeakPolarHBondContact O-CG 3.48Å; M244-L248 PolarHBondContact O-N 3.17Å; I245-L248 PolarHBondContact O-N 3.36Å; L248-R251 PolarHBondContact O-N 3.43Å; L248-S252 WeakPolarHBondContact O-CB 3.37Å; L248-S252 PolarHBondContact O-N 3.39Å; L248-S252 PolarHBondContact O-OG 3.48Å; L248-V266 HydrophobicContact CD2-CG1 3.5Å; L248-V266 VanDerWaalsContact CD2-CG1 3.5Å
249K79Confident81.3Confident89 Ų8961.3 Ų61.339%0.38728%0.281SS..Hα-helixtrans-63.7-42175.3-77.9178.8179179.70112.5L149 I245 A246 E247 S252 Q253L149-K249 HydrophobicContact CD1-CG 3.94Å; L149-K249 HydrophobicContact CD2-CG 3.94Å; I245-K249 HydrophobicContact CG2-CD 4.2Å; I245-K249 WeakPolarHBondContact O-CB 3.48Å; I245-K249 WeakPolarHBondContact O-CG 3.44Å; I245-K249 PolarHBondContact O-N 2.91Å; A246-K249 PolarHBondContact O-N 3.08Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.3Å; K249-S252 PolarHBondContact O-OG 3.09Å; K249-Q253 WeakPolarHBondContact O-CG 3.47Å
250E81.7Confident81Confident67 Ų6754.2 Ų54.231%0.31325%0.254SS..Hα-helixtrans-66.4-45.8176.7-176.1-172.5140.900110.4R24 A246 E247 S252 Q253 R254R24-E250 IonicContact NH2-OE2 3.36Å; R24-E250 PolarHBondContact NH2-OE2 3Å; A246-E250 WeakPolarHBondContact O-CB 3.36Å; A246-E250 PolarHBondContact O-N 2.88Å; E247-E250 PolarHBondContact O-N 3.35Å; E250-S252 VanDerWaalsContact C-N 3.34Å; E250-S252 PolarHBondContact O-N 3Å; E250-Q253 WeakPolarHBondContact O-CB 3.17Å; E250-Q253 PolarHBondContact O-N 3.47Å; E250-Q253 VanDerWaalsContact O-N 3.11Å; E250-R254 PolarHBondContact O-N 3.22Å; E250-R254 IonicContact OE1-CZ 3.73Å; E250-R254 IonicContact OE1-NE 3.57Å; E250-R254 IonicContact OE1-NH2 2.87Å; E250-R254 PolarHBondContact OE1-NH2 2.97Å
251R80.7Confident80.5Confident20 Ų2056.6 Ų56.68%0.07526%0.263CS..Hα-helixtrans-64.3-37.9-176.3-158.1178.3-161.7121.3-17.1112.3E247 L248 Q253 R254 M259 Q261 D262E247-R251 VanDerWaalsContact O-CB 3.28Å; E247-R251 WeakPolarHBondContact O-CB 3.33Å; E247-R251 PolarHBondContact O-N 3.04Å; E247-R251 IonicContact OE1-NH1 2.81Å; L248-R251 PolarHBondContact O-N 3.43Å; R251-Q253 PolarHBondContact O-N 2.99Å; R251-R254 WeakPolarHBondContact O-CB 3.39Å; R251-R254 PolarHBondContact O-N 3.44Å; R251-R254 VanDerWaalsContact O-N 3.11Å; R251-M259 PolarHBondContact NE-O 3.43Å; R251-M259 VanDerWaalsContact NE-O 3.13Å; R251-Q261 PolarHBondContact NH2-O 2.94Å; R251-D262 VanDerWaalsContact NH2-C 3.33Å; R251-D262 PolarHBondContact NH2-O 3.36Å
252S76.5Confident80Confident47 Ų4761.1 Ų61.133%0.32929%0.287SS..Hα-helixtrans-66.8-18.7176.668.90000113.9L248 K249 E250L248-S252 WeakPolarHBondContact O-CB 3.37Å; L248-S252 PolarHBondContact O-N 3.39Å; L248-S252 PolarHBondContact O-OG 3.48Å; K249-S252 PolarHBondContact O-OG 3.09Å; E250-S252 VanDerWaalsContact C-N 3.34Å; E250-S252 PolarHBondContact O-N 3Å
253Q76.4Confident79.8Confident161 Ų16154.2 Ų54.275%0.75226%0.261SS*.THydrogen-bonded Turntrans-91.3-8.7175.4-65177.31.700113.2K249 E250 R251K249-Q253 WeakPolarHBondContact O-CG 3.47Å; E250-Q253 WeakPolarHBondContact O-CB 3.17Å; E250-Q253 PolarHBondContact O-N 3.47Å; E250-Q253 VanDerWaalsContact O-N 3.11Å; R251-Q253 PolarHBondContact O-N 2.99Å
254R77.1Confident79.9Confident97 Ų9749.9 Ų49.937%0.36625%0.248SC..SBendtrans-74.2156.6179.9-66.7-178.7-178.1-175.6-1.4111.5E250 R251 W258E250-R254 PolarHBondContact O-N 3.22Å; E250-R254 IonicContact OE1-CZ 3.73Å; E250-R254 IonicContact OE1-NE 3.57Å; E250-R254 IonicContact OE1-NH2 2.87Å; E250-R254 PolarHBondContact OE1-NH2 2.97Å; R251-R254 WeakPolarHBondContact O-CB 3.39Å; R251-R254 PolarHBondContact O-N 3.44Å; R251-R254 VanDerWaalsContact O-N 3.11Å; R254-W258 HydrophobicContact CB-CB 4.09Å
255P76.3Confident80Confident72 Ų7255.7 Ų55.747%0.46828%0.275SS..  trans-56150.2166.5-22.333000111.5L87 R257 W258 M259L87-P255 HydrophobicContact CD2-CG 4.22Å; P255-R257 VanDerWaalsContact C-N 3.3Å; P255-R257 PolarHBondContact O-N 3.08Å; P255-R257 VanDerWaalsContact O-N 3.14Å; P255-W258 PolarHBondContact O-N 2.69Å; P255-M259 PolarHBondContact O-N 3.26Å
256V77.4Confident80.1Confident33 Ų3355.8 Ų55.820%0.228%0.275CS..Hα-helixtrans-48.2-47.7-171.4174.60000112.8M134 A138 W258 M259 L260M134-V256 HydrophobicContact CB-CG1 4.21Å; M134-V256 HydrophobicContact CG-CG1 4.08Å; M134-V256 WeakPolarHBondContact O-CG1 3.38Å; M134-V256 HydrophobicContact SD-CG1 4.31Å; A138-V256 HydrophobicContact CB-CB 4.4Å; A138-V256 HydrophobicContact CB-CG1 3.74Å; A138-V256 HydrophobicContact CB-CG2 3.7Å; V256-W258 PolarHBondContact O-N 3.31Å; V256-M259 WeakPolarHBondContact O-CB 3.49Å; V256-M259 PolarHBondContact O-N 2.77Å; V256-L260 HydrophobicContact CG1-CD1 3.61Å; V256-L260 HydrophobicContact CG1-CG 4.2Å; V256-L260 WeakPolarHBondContact O-CB 3.41Å; V256-L260 WeakPolarHBondContact O-CG 3.49Å; V256-L260 PolarHBondContact O-N 2.95Å
257R77.4Confident80.7Confident23 Ų2353.5 Ų53.59%0.08726%0.257CS..Hα-helixtrans-52.3-52.6176.9178.8-172.5163.8-117-23.3112.8G95 D96 I115 M134 P255 M259 L260 Q261G95-R257 PolarHBondContact O-NH2 2.81Å; D96-R257 WeakPolarHBondContact OD1-CD 3.13Å; D96-R257 IonicContact OD1-CZ 3.22Å; D96-R257 VanDerWaalsContact OD1-CZ 3.22Å; D96-R257 IonicContact OD1-NE 3.29Å; D96-R257 PolarHBondContact OD1-NE 3.02Å; D96-R257 IonicContact OD1-NH1 2.62Å; D96-R257 PolarHBondContact OD1-NH1 3.42Å; D96-R257 IonicContact OD2-NH1 3.45Å; D96-R257 PolarHBondContact OD2-NH1 3.41Å; I115-R257 HydrophobicContact CD1-CB 4.41Å; I115-R257 HydrophobicContact CD1-CG 3.9Å; I115-R257 WeakPolarHBondContact CD1-O 3.44Å; M134-R257 HydrophobicContact SD-CB 4.14Å; P255-R257 VanDerWaalsContact C-N 3.3Å; P255-R257 PolarHBondContact O-N 3.08Å; P255-R257 VanDerWaalsContact O-N 3.14Å; R257-M259 VanDerWaalsContact C-N 3.29Å; R257-M259 PolarHBondContact O-N 2.77Å; R257-L260 PolarHBondContact O-N 3.27Å; R257-Q261 PolarHBondContact O-N 3.43Å; R257-Q261 VanDerWaalsContact O-N 3.07Å
258W74.3Confident81Confident72 Ų7254.7 Ų54.727%0.27327%0.265SS..Hα-helixtrans-76.2-18.8-176.1-62.5117.1000113.7R254 P255 V256 Q261R254-W258 HydrophobicContact CB-CB 4.09Å; P255-W258 PolarHBondContact O-N 2.69Å; V256-W258 PolarHBondContact O-N 3.31Å; W258-Q261 VanDerWaalsContact CZ3-OE1 3.27Å
259M83.7Confident81.5Confident0 Ų059.1 Ų59.10%028%0.281CS..Hα-helixtrans-73.5-46.1171.5-179.6-171.174.500110.4K142 L145 R251 P255 V256 R257 I263K142-M259 HydrophobicContact CG-CE 4.05Å; K142-M259 HydrophobicContact CG-SD 3.6Å; K142-M259 VanDerWaalsContact CG-SD 3.6Å; L145-M259 HydrophobicContact CD1-CG 3.55Å; L145-M259 HydrophobicContact CD1-SD 3.83Å; R251-M259 PolarHBondContact NE-O 3.43Å; R251-M259 VanDerWaalsContact NE-O 3.13Å; P255-M259 PolarHBondContact O-N 3.26Å; V256-M259 WeakPolarHBondContact O-CB 3.49Å; V256-M259 PolarHBondContact O-N 2.77Å; R257-M259 VanDerWaalsContact C-N 3.29Å; R257-M259 PolarHBondContact O-N 2.77Å; M259-I263 HydrophobicContact CG-CD1 4.43Å
260L80.3Confident82.1Confident0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-77.9-26.8-174.7-68.3177.7000114.3F108 I115 M134 V137 Y141 V256 R257 D262 I263F108-L260 HydrophobicContact CD2-CD1 4.01Å; F108-L260 HydrophobicContact CE2-CB 4.2Å; F108-L260 HydrophobicContact CE2-CD1 4.26Å; F108-L260 HydrophobicContact CE2-CD2 4.39Å; I115-L260 HydrophobicContact CD1-CB 3.9Å; I115-L260 HydrophobicContact CG1-CB 4.28Å; M134-L260 HydrophobicContact CB-CD1 4.03Å; V137-L260 HydrophobicContact CG2-CD1 3.88Å; Y141-L260 HydrophobicContact CD1-CD2 4.37Å; Y141-L260 HydrophobicContact CD2-CD2 3.43Å; Y141-L260 VanDerWaalsContact CD2-CD2 3.43Å; Y141-L260 HydrophobicContact CE2-CD2 4.17Å; Y141-L260 HydrophobicContact CG-CD2 3.54Å; V256-L260 HydrophobicContact CG1-CD1 3.61Å; V256-L260 HydrophobicContact CG1-CG 4.2Å; V256-L260 WeakPolarHBondContact O-CB 3.41Å; V256-L260 WeakPolarHBondContact O-CG 3.49Å; V256-L260 PolarHBondContact O-N 2.95Å; R257-L260 PolarHBondContact O-N 3.27Å; L260-D262 PolarHBondContact O-N 3.35Å; L260-I263 HydrophobicContact CD2-CD1 4.16Å; L260-I263 WeakPolarHBondContact O-CB 3.38Å; L260-I263 VanDerWaalsContact O-CG2 3.25Å; L260-I263 WeakPolarHBondContact O-CG2 3.28Å; L260-I263 PolarHBondContact O-N 3.44Å
261Q76.1Confident82.6Confident83 Ų8356.2 Ų56.239%0.38827%0.268SS..THydrogen-bonded Turntrans-53.7127.2174.4-178.8174.410.500109.9R251 R257 W258 I263R251-Q261 PolarHBondContact NH2-O 2.94Å; R257-Q261 PolarHBondContact O-N 3.43Å; R257-Q261 VanDerWaalsContact O-N 3.07Å; W258-Q261 VanDerWaalsContact CZ3-OE1 3.27Å; Q261-I263 PolarHBondContact O-N 3.12Å
262D78.9Confident83.3Confident94 Ų9459.5 Ų59.550%0.50329%0.294SS..THydrogen-bonded Turntrans50.627.6179.1-49.3-42.2000115.1R251 L260 Q264R251-D262 VanDerWaalsContact NH2-C 3.33Å; R251-D262 PolarHBondContact NH2-O 3.36Å; L260-D262 PolarHBondContact O-N 3.35Å; D262-Q264 VanDerWaalsContact C-N 3.3Å; D262-Q264 PolarHBondContact O-N 3.25Å
263I81.9Confident84.1Confident0 Ų059.8 Ų59.80%029%0.288CS..Hα-helixtrans-67-31.1-172.5-166.3164.1000112.9V113 Y141 L145 M259 L260 Q261 E265 V266 L267V113-I263 HydrophobicContact CG1-CG2 3.82Å; Y141-I263 HydrophobicContact CD1-CD1 3.57Å; Y141-I263 HydrophobicContact CD1-CG1 4.13Å; Y141-I263 HydrophobicContact CD1-CG2 3.88Å; Y141-I263 HydrophobicContact CE1-CG2 3.74Å; Y141-I263 HydrophobicContact CG-CD1 3.89Å; L145-I263 HydrophobicContact CD1-CD1 3.99Å; L145-I263 HydrophobicContact CD2-CD1 4.35Å; L145-I263 HydrophobicContact CD2-CG1 4.43Å; L145-I263 HydrophobicContact CG-CD1 4.13Å; M259-I263 HydrophobicContact CG-CD1 4.43Å; L260-I263 HydrophobicContact CD2-CD1 4.16Å; L260-I263 WeakPolarHBondContact O-CB 3.38Å; L260-I263 VanDerWaalsContact O-CG2 3.25Å; L260-I263 WeakPolarHBondContact O-CG2 3.28Å; L260-I263 PolarHBondContact O-N 3.44Å; Q261-I263 PolarHBondContact O-N 3.12Å; I263-E265 PolarHBondContact O-N 3.41Å; I263-V266 PolarHBondContact O-N 3.09Å; I263-L267 HydrophobicContact CD1-CD1 4.27Å; I263-L267 HydrophobicContact CG1-CD1 3.75Å; I263-L267 HydrophobicContact CG1-CG 4.04Å; I263-L267 WeakPolarHBondContact O-CB 3.42Å; I263-L267 WeakPolarHBondContact O-CG 3.33Å; I263-L267 PolarHBondContact O-N 2.92Å
264Q86.3Confident85Confident67 Ų6755.3 Ų55.331%0.31328%0.275SS..Hα-helixtrans-63.9-41.1-177.7-163.361.938.900112.3V113 D262 V266 L267 N268V113-Q264 HydrophobicContact CG1-CB 4.18Å; D262-Q264 VanDerWaalsContact C-N 3.3Å; D262-Q264 PolarHBondContact O-N 3.25Å; Q264-V266 VanDerWaalsContact C-N 3.34Å; Q264-V266 PolarHBondContact O-N 2.91Å; Q264-L267 PolarHBondContact O-N 3.38Å; Q264-N268 PolarHBondContact NE2-OD1 2.78Å; Q264-N268 WeakPolarHBondContact O-CB 3.39Å; Q264-N268 PolarHBondContact O-N 3.49Å; Q264-N268 PolarHBondContact O-ND2 3.46Å; Q264-N268 PolarHBondContact O-OD1 2.87Å
265E85.4Confident85.8Confident131 Ų13151.6 Ų51.661%0.61226%0.262SS*.Hα-helixtrans-61.7-46.5178.8-172.8-171159.500110.5I263 N268 R269I263-E265 PolarHBondContact O-N 3.41Å; E265-N268 PolarHBondContact O-N 3.44Å; E265-R269 VanDerWaalsContact O-CB 3.3Å; E265-R269 WeakPolarHBondContact O-CB 3.44Å; E265-R269 PolarHBondContact O-N 2.98Å
266V86.1Confident86.7Confident6 Ų653.7 Ų53.74%0.03627%0.265CS..Hα-helixtrans-66.5-42.6-179.1174.80000111.7E247 L248 I263 Q264 S270E247-V266 WeakPolarHBondContact OE1-CG2 3.29Å; L248-V266 HydrophobicContact CD2-CG1 3.5Å; L248-V266 VanDerWaalsContact CD2-CG1 3.5Å; I263-V266 PolarHBondContact O-N 3.09Å; Q264-V266 VanDerWaalsContact C-N 3.34Å; Q264-V266 PolarHBondContact O-N 2.91Å; V266-S270 VanDerWaalsContact O-CB 3.27Å; V266-S270 WeakPolarHBondContact O-CB 3.19Å; V266-S270 PolarHBondContact O-N 3.21Å; V266-S270 PolarHBondContact O-OG 3.39Å
267L91.3Very high87.4Confident0 Ų060.8 Ų60.80%029%0.289CS..Hα-helixtrans-66.3-45.6176.1-73.7174.3000111.6Y141 E144 L145 A148 I263 Q264 R269 S270 K271Y141-L267 HydrophobicContact CD1-CD1 3.9Å; Y141-L267 HydrophobicContact CE1-CD1 4.2Å; E144-L267 HydrophobicContact CB-CD1 4Å; E144-L267 HydrophobicContact CB-CD2 4.09Å; E144-L267 WeakPolarHBondContact OE2-CD1 3.43Å; L145-L267 HydrophobicContact CD2-CD2 3.87Å; L145-L267 HydrophobicContact CD2-CG 4.42Å; L145-L267 HydrophobicContact CG-CD2 4.28Å; A148-L267 HydrophobicContact CB-CD2 4.07Å; I263-L267 HydrophobicContact CD1-CD1 4.27Å; I263-L267 HydrophobicContact CG1-CD1 3.75Å; I263-L267 HydrophobicContact CG1-CG 4.04Å; I263-L267 WeakPolarHBondContact O-CB 3.42Å; I263-L267 WeakPolarHBondContact O-CG 3.33Å; I263-L267 PolarHBondContact O-N 2.92Å; Q264-L267 PolarHBondContact O-N 3.38Å; L267-R269 PolarHBondContact O-N 3.42Å; L267-S270 PolarHBondContact O-N 3.25Å; L267-K271 WeakPolarHBondContact O-CB 3.4Å; L267-K271 VanDerWaalsContact O-CG 3.29Å; L267-K271 WeakPolarHBondContact O-CG 3.21Å; L267-K271 PolarHBondContact O-N 2.92Å
268N90.7Very high88Confident85 Ų8561.2 Ų61.246%0.45529%0.294SS..Hα-helixtrans-58.8-51.1177.9-74.9-9.5000110.7Q264 E265 S270 K271 S272Q264-N268 PolarHBondContact NE2-OD1 2.78Å; Q264-N268 WeakPolarHBondContact O-CB 3.39Å; Q264-N268 PolarHBondContact O-N 3.49Å; Q264-N268 PolarHBondContact O-ND2 3.46Å; Q264-N268 PolarHBondContact O-OD1 2.87Å; E265-N268 PolarHBondContact O-N 3.44Å; N268-S270 VanDerWaalsContact C-N 3.28Å; N268-S270 PolarHBondContact O-N 2.94Å; N268-K271 PolarHBondContact O-N 3.33Å; N268-S272 WeakPolarHBondContact O-CB 3.35Å; N268-S272 PolarHBondContact O-N 3.12Å; N268-S272 PolarHBondContact O-OG 2.76Å
269R93.3Very high88.6Confident94 Ų9465.5 Ų65.536%0.35532%0.317SS..Hα-helixtrans-59.5-37.8177.8-176.2-17764.1-164.1-2.8112.6M244 E247 E265 L267 S272 W273M244-R269 HydrophobicContact CE-CG 4.05Å; M244-R269 WeakPolarHBondContact CE-O 3.41Å; E247-R269 IonicContact OE1-NH2 3.71Å; E247-R269 PolarHBondContact OE1-NH2 2.84Å; E247-R269 IonicContact OE2-CZ 3.76Å; E247-R269 IonicContact OE2-NH2 2.83Å; E247-R269 PolarHBondContact OE2-NH2 3.43Å; E265-R269 VanDerWaalsContact O-CB 3.3Å; E265-R269 WeakPolarHBondContact O-CB 3.44Å; E265-R269 PolarHBondContact O-N 2.98Å; L267-R269 PolarHBondContact O-N 3.42Å; R269-S272 PolarHBondContact O-OG 3.33Å; R269-W273 PolarHBondContact O-N 2.96Å
270S93.2Very high88.7Confident1 Ų171.2 Ų71.21%0.00735%0.354CS..Hα-helixtrans-74.8-43.3-179.1-56.80000112.4H151 V266 L267 N268 W273H151-S270 PolarHBondContact CD2-O 2.94Å; V266-S270 VanDerWaalsContact O-CB 3.27Å; V266-S270 WeakPolarHBondContact O-CB 3.19Å; V266-S270 PolarHBondContact O-N 3.21Å; V266-S270 PolarHBondContact O-OG 3.39Å; L267-S270 PolarHBondContact O-N 3.25Å; N268-S270 VanDerWaalsContact C-N 3.28Å; N268-S270 PolarHBondContact O-N 2.94Å; S270-W273 PolarHBondContact O-N 2.65Å
271K92.3Very high89Confident94 Ų9472.5 Ų72.541%0.40936%0.361SS..Hα-helixtrans-70.8-32.5177.9-68.9177.2-175.6179.40112.1E144 A148 L267 N268 W273E144-K271 IonicContact OE2-NZ 2.67Å; E144-K271 PolarHBondContact OE2-NZ 3.31Å; A148-K271 HydrophobicContact CB-CG 4.5Å; L267-K271 WeakPolarHBondContact O-CB 3.4Å; L267-K271 VanDerWaalsContact O-CG 3.29Å; L267-K271 WeakPolarHBondContact O-CG 3.21Å; L267-K271 PolarHBondContact O-N 2.92Å; N268-K271 PolarHBondContact O-N 3.33Å; K271-W273 VanDerWaalsContact C-N 3.3Å
272S93.6Very high89.5Confident90 Ų9072 Ų7263%0.62937%0.367SS*.THydrogen-bonded Turntrans-80-10177.471.60000113.7N268 R269 S274N268-S272 WeakPolarHBondContact O-CB 3.35Å; N268-S272 PolarHBondContact O-N 3.12Å; N268-S272 PolarHBondContact O-OG 2.76Å; R269-S272 PolarHBondContact O-OG 3.33Å; S272-S274 PolarHBondContact O-N 2.91Å
273W95.1Very high89.8Confident53 Ų5369.4 Ų69.420%0.20135%0.353CS..  trans-67.7131.3-179.4-177.3-83.8000110.7H151 L152 Q237 V240 L241 M244 R269 S270 K271H151-W273 PolarHBondContact NE2-O 3.27Å; L152-W273 HydrophobicContact CD2-CB 3.79Å; L152-W273 HydrophobicContact CD2-CG 3.99Å; Q237-W273 HydrophobicContact CB-CZ2 4.33Å; V240-W273 HydrophobicContact CB-CH2 3.65Å; V240-W273 HydrophobicContact CB-CZ2 4.28Å; V240-W273 HydrophobicContact CB-CZ3 4.22Å; V240-W273 HydrophobicContact CG1-CE3 4.27Å; V240-W273 HydrophobicContact CG1-CH2 3.37Å; V240-W273 HydrophobicContact CG1-CZ2 4.23Å; V240-W273 HydrophobicContact CG1-CZ3 3.4Å; V240-W273 HydrophobicContact CG2-CH2 4.28Å; L241-W273 VanDerWaalsContact CD2-CD1 3.42Å; L241-W273 HydrophobicContact CD2-CD2 4.3Å; L241-W273 HydrophobicContact CD2-CG 4.11Å; L241-W273 HydrophobicContact CD2-CZ2 4.45Å; L241-W273 HydrophobicContact CG-CZ2 4.02Å; M244-W273 HydrophobicContact CE-CB 4.16Å; M244-W273 HydrophobicContact CE-CE3 4.36Å; M244-W273 HydrophobicContact SD-CD2 4.14Å; M244-W273 HydrophobicContact SD-CE3 3.75Å; M244-W273 HydrophobicContact SD-CZ3 4.26Å; R269-W273 PolarHBondContact O-N 2.96Å; S270-W273 PolarHBondContact O-N 2.65Å; K271-W273 VanDerWaalsContact C-N 3.3Å
274S94.2Very high89.9Confident67 Ų6775.6 Ų75.647%0.46938%0.382SS..  trans-139.1128.5172.862.60000110S272 Q276S272-S274 PolarHBondContact O-N 2.91Å; S274-Q276 PolarHBondContact O-N 3.18Å; S274-Q276 PolarHBondContact O-NE2 2.83Å; S274-Q276 PolarHBondContact OG-NE2 3.16Å
275L94.8Very high89.7Confident18 Ų1872.8 Ų72.89%0.09437%0.369CS..PPolyproline II helixtrans-59124.6174.8-177.469.8000111.1E155 E158 A159 L162 L234 Q237E155-L275 WeakPolarHBondContact OE2-CB 3.42Å; E155-L275 PolarHBondContact OE2-N 3.44Å; E158-L275 HydrophobicContact CB-CD2 3.85Å; A159-L275 HydrophobicContact CB-CD1 3.72Å; A159-L275 HydrophobicContact CB-CD2 4.13Å; L162-L275 HydrophobicContact CD1-CD2 3.74Å; L162-L275 HydrophobicContact CD1-CG 4.43Å; L234-L275 HydrophobicContact CD2-CD1 4.5Å; Q237-L275 HydrophobicContact CB-CD1 4.33Å
276Q93.9Very high89.6Confident116 Ų11674.8 Ų74.854%0.54238%0.376SS..PPolyproline II helixtrans-84.1117.5174.3-57.7-54.7-56.800109.3Q237 S274Q237-Q276 PolarHBondContact NE2-O 2.85Å; S274-Q276 PolarHBondContact O-N 3.18Å; S274-Q276 PolarHBondContact O-NE2 2.83Å; S274-Q276 PolarHBondContact OG-NE2 3.16Å
277R92.4Very high89.5Confident183 Ų18375.1 Ų75.169%0.69138%0.377SS*.PPolyproline II helixtrans-78.8132.1179.6-64.3-174.7178-157.2-5109.9L162L162-R277 HydrophobicContact CD1-CG 4.11Å
278P89.9Confident88.7Confident32 Ų3277.6 Ų77.621%0.20839%0.391CS..PPolyproline II helixtrans-63.3152.2175.7-17.328.2000112.1N230 L234N230-P278 HydrophobicContact CB-CB 3.78Å; N230-P278 HydrophobicContact CB-CG 4.23Å; N230-P278 WeakPolarHBondContact ND2-CB 3.46Å; L234-P278 HydrophobicContact CD1-CG 3.78Å; L234-P278 HydrophobicContact CD2-CG 3.99Å; L234-P278 HydrophobicContact CG-CG 3.75Å
279E87.1Confident88.3Confident161 Ų16173.8 Ų73.875%0.75237%0.371SS*.PPolyproline II helixtrans-66.6141.3176.9-69.8-174.6173.200111.5N230 I281N230-E279 PolarHBondContact ND2-O 2.92Å; E279-I281 PolarHBondContact O-N 2.82Å; E279-I281 VanDerWaalsContact O-N 3.12Å
280P86Confident87.8Confident120 Ų12073 Ų7378%0.77937%0.368SS*.  trans-69.7110.4178.627.2-32.3000111.1
281I87.3Confident87.4Confident27 Ų2773.3 Ų73.314%0.13837%0.37CS..  trans-82.2128.2173-59.7159.8000111.2R169 T223 K226 L227 N230 E279 L283R169-I281 PolarHBondContact NH2-O 2.78Å; T223-I281 HydrophobicContact CG2-CG2 3.96Å; K226-I281 VanDerWaalsContact C-CD1 3.47Å; K226-I281 HydrophobicContact CB-CD1 3.46Å; K226-I281 VanDerWaalsContact CB-CD1 3.46Å; K226-I281 HydrophobicContact CB-CG1 4.11Å; L227-I281 HydrophobicContact CD2-CD1 3.77Å; L227-I281 HydrophobicContact CG-CD1 3.97Å; N230-I281 WeakPolarHBondContact ND2-CD1 3.44Å; E279-I281 PolarHBondContact O-N 2.82Å; E279-I281 VanDerWaalsContact O-N 3.12Å; I281-L283 HydrophobicContact CG2-CD2 4.48Å; I281-L283 PolarHBondContact O-N 2.85Å
282S85.6Confident86.9Confident74 Ų7473.9 Ų73.952%0.51738%0.377SS..  trans-66.1131.7170.3-176.70000110.4E284S282-E284 PolarHBondContact OG-N 3.04Å
283L85.1Confident86.4Confident39 Ų3971.2 Ų71.220%0.20436%0.363CS..  trans-104.127.3176.8-58.1-178000111.5R169 W173 Q176 T223 L227 I281R169-L283 HydrophobicContact CB-CD1 4.08Å; R169-L283 HydrophobicContact CG-CD1 4.19Å; W173-L283 HydrophobicContact CB-CD2 4.47Å; W173-L283 HydrophobicContact CE3-CB 4.28Å; W173-L283 HydrophobicContact CE3-CD2 4.29Å; Q176-L283 PolarHBondContact OE1-O 2.96Å; T223-L283 HydrophobicContact CG2-CD2 4.1Å; L227-L283 HydrophobicContact CD1-CD2 4.05Å; L227-L283 HydrophobicContact CD2-CD2 4.36Å; I281-L283 HydrophobicContact CG2-CD2 4.48Å; I281-L283 PolarHBondContact O-N 2.85Å
284E83.5Confident86.1Confident129 Ų12968.9 Ų68.960%0.60336%0.355SS*.  trans-88.2127177-68.7177172.100110.1S282S282-E284 PolarHBondContact OG-N 3.04Å
285L84.1Confident85.9Confident9 Ų967.6 Ų67.65%0.04734%0.34CS..  trans-79.9116.6173.7-74.5168.6000110.1W173 Q176 V177 R180 L216 E219W173-L285 HydrophobicContact CH2-CD2 3.33Å; W173-L285 HydrophobicContact CH2-CG 3.97Å; W173-L285 HydrophobicContact CZ2-CD2 4.05Å; W173-L285 HydrophobicContact CZ3-CD2 3.69Å; W173-L285 HydrophobicContact CZ3-CG 3.82Å; Q176-L285 HydrophobicContact CB-CD1 4.12Å; V177-L285 HydrophobicContact CG2-CD2 4.18Å; R180-L285 HydrophobicContact CB-CD1 3.69Å; R180-L285 HydrophobicContact CG-CD1 4.07Å; L216-L285 HydrophobicContact CD1-CD2 3.63Å; E219-L285 WeakPolarHBondContact OE1-CA 3.5Å
286K83Confident85.6Confident173 Ų17371.7 Ų71.775%0.75236%0.358SS*.  trans-80.9-28.9175.9-60177-175.9176.50112.4E219 D288E219-K286 WeakPolarHBondContact OE1-CB 3.46Å; E219-K286 WeakPolarHBondContact OE1-CG 3.43Å; E219-K286 PolarHBondContact OE1-N 3.44Å; E219-K286 PolarHBondContact OE2-N 2.91Å; K286-D288 PolarHBondContact O-N 3.32Å
287T83.1Confident85.4Confident12 Ų1267.4 Ų67.47%0.07434%0.339CS..SBendtrans-71.999.5179.8-55.40000110.3R180 A212 S215 L216 E219R180-T287 PolarHBondContact NH1-O 3.29Å; A212-T287 WeakPolarHBondContact O-CG2 3.39Å; S215-T287 PolarHBondContact OG-OG1 2.89Å; S215-T287 VanDerWaalsContact OG-OG1 3.12Å; L216-T287 HydrophobicContact CB-CG2 3.99Å; L216-T287 PolarHBondContact N-OG1 3.13Å; E219-T287 WeakPolarHBondContact OE2-CB 3.31Å; E219-T287 PolarHBondContact OE2-N 3.19Å; E219-T287 PolarHBondContact OE2-OG1 2.94Å
288D74.7Confident85.4Confident53 Ų5358.7 Ų58.728%0.28331%0.306SS..  trans-69.7148179.5-70.6-34.7000112.9K286 R290K286-D288 PolarHBondContact O-N 3.32Å; D288-R290 PolarHBondContact O-N 3.34Å
289C82.2Confident85.6Confident5 Ų560.1 Ų60.13%0.03431%0.309CS..  trans-9191.4168.9-177.30000108.3I184 E187 H445I184-C289 HydrophobicContact CG1-CB 4.04Å; E187-C289 VanDerWaalsContact CG-SG 3.6Å; C289-H445 HydrophobicContact CB-CB 3.9Å; C289-H445 WeakPolarHBondContact O-CB 3.48Å; C289-H445 PolarHBondContact O-N 2.96Å
290R83.1Confident85.8Confident77 Ų7757.3 Ų57.329%0.29130%0.303SS..  trans-129.5124.8179-172.9-176.7-60.71714.1109.9D288 D441D288-R290 PolarHBondContact O-N 3.34Å; R290-D441 IonicContact CZ-OD1 2.79Å; R290-D441 PolarHBondContact NH2-O 3.39Å; R290-D441 IonicContact NH2-OD1 2.66Å; R290-D441 PolarHBondContact NH2-OD1 3.15Å; R290-D441 IonicContact NH2-OD2 3.75Å; R290-D441 PolarHBondContact NH2-OD2 2.88Å
291V84.4Confident86.2Confident8 Ų854 Ų545%0.04828%0.275CS..  trans-106.8114.5171.7-176.40000107.9E187 F188 Y191 L205 G293 L294E187-V291 HydrophobicContact CB-CG2 3.79Å; F188-V291 HydrophobicContact CD1-CG1 3.96Å; F188-V291 HydrophobicContact CD1-CG2 3.85Å; F188-V291 HydrophobicContact CD2-CG2 3.95Å; F188-V291 HydrophobicContact CE1-CB 4.37Å; F188-V291 HydrophobicContact CE1-CG1 3.95Å; F188-V291 HydrophobicContact CE1-CG2 3.92Å; F188-V291 HydrophobicContact CE2-CG2 3.97Å; F188-V291 HydrophobicContact CG-CG2 3.87Å; F188-V291 HydrophobicContact CZ-CG2 3.97Å; Y191-V291 HydrophobicContact CD1-CG1 3.91Å; Y191-V291 HydrophobicContact CD2-CG1 3.82Å; Y191-V291 HydrophobicContact CE1-CG1 4.43Å; Y191-V291 HydrophobicContact CE2-CG1 4.36Å; Y191-V291 HydrophobicContact CG-CG1 3.57Å; L205-V291 HydrophobicContact CD1-CG1 4.01Å; V291-G293 PolarHBondContact O-N 3.39Å; V291-L294 HydrophobicContact CB-CB 3.9Å; V291-L294 HydrophobicContact CB-CD2 4.13Å; V291-L294 HydrophobicContact CG1-CB 4.17Å; V291-L294 HydrophobicContact CG2-CD2 4.48Å; V291-L294 VanDerWaalsContact O-CB 3.29Å; V291-L294 WeakPolarHBondContact O-CB 3.33Å; V291-L294 PolarHBondContact O-N 2.81Å
292L82.5Confident86.6Confident106 Ų10655 Ų5556%0.55529%0.287SS*.THydrogen-bonded Turntrans-61.5134.9-179-64.9177.6000110.3L294L292-L294 PolarHBondContact O-N 2.64Å
293G83.5Confident87Confident34 Ų3452.6 Ų52.635%0.35127%0.272SS..THydrogen-bonded Turntrans76.9-5.7-178.300000115.3V291 R295 E296 I297V291-G293 PolarHBondContact O-N 3.39Å; G293-R295 PolarHBondContact O-N 2.85Å; G293-E296 PolarHBondContact O-N 3.21Å; G293-I297 PolarHBondContact O-N 3.28Å
294L87.8Confident87.3Confident4 Ų455.8 Ų55.82%0.02129%0.289CS..Hα-helixtrans-60.9-45.1178.417661.6000111.5Y191 L194 V291 L292 E296 I297 L298 Y437Y191-L294 HydrophobicContact CD2-CB 3.82Å; Y191-L294 HydrophobicContact CD2-CD1 3.82Å; Y191-L294 HydrophobicContact CD2-CG 4.4Å; Y191-L294 HydrophobicContact CE2-CB 4.32Å; L194-L294 HydrophobicContact CD1-CD1 4.07Å; V291-L294 HydrophobicContact CB-CB 3.9Å; V291-L294 HydrophobicContact CB-CD2 4.13Å; V291-L294 HydrophobicContact CG1-CB 4.17Å; V291-L294 HydrophobicContact CG2-CD2 4.48Å; V291-L294 VanDerWaalsContact O-CB 3.29Å; V291-L294 WeakPolarHBondContact O-CB 3.33Å; V291-L294 PolarHBondContact O-N 2.81Å; L292-L294 PolarHBondContact O-N 2.64Å; L294-E296 PolarHBondContact O-N 3.34Å; L294-I297 PolarHBondContact O-N 3.41Å; L294-I297 VanDerWaalsContact O-N 3.13Å; L294-L298 HydrophobicContact CD1-CD1 4.34Å; L294-L298 HydrophobicContact CD1-CD2 4.25Å; L294-L298 HydrophobicContact CD1-CG 4.05Å; L294-L298 HydrophobicContact CG-CD1 3.97Å; L294-L298 HydrophobicContact CG-CG 4.15Å; L294-L298 VanDerWaalsContact O-CG 3.26Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 2.95Å; L294-Y437 HydrophobicContact CD2-CE1 3.73Å
295R89.7Confident87.8Confident40 Ų4049.8 Ų49.815%0.15126%0.262CS..Hα-helixtrans-54.6-41.8177.1-175.4-178.5177.6-148-2.9112.1G293 I297 L298 K299 E361 V439G293-R295 PolarHBondContact O-N 2.85Å; R295-I297 VanDerWaalsContact C-N 3.32Å; R295-I297 PolarHBondContact O-N 3.33Å; R295-L298 WeakPolarHBondContact O-CB 3.46Å; R295-L298 PolarHBondContact O-N 2.99Å; R295-L298 VanDerWaalsContact O-N 3.12Å; R295-K299 WeakPolarHBondContact O-CG 3.47Å; R295-K299 PolarHBondContact O-N 2.98Å; R295-E361 IonicContact CZ-OE1 3.74Å; R295-E361 IonicContact NE-OE1 2.64Å; R295-E361 PolarHBondContact NE-OE1 3.4Å; R295-E361 IonicContact NH2-OE1 3.7Å; R295-E361 PolarHBondContact NH2-OE1 3.37Å; R295-E361 IonicContact NH2-OE2 2.92Å; R295-E361 PolarHBondContact NH2-OE2 3.01Å; R295-V439 VanDerWaalsContact NH2-CG1 3.32Å
296E89.4Confident88.5Confident103 Ų10351.6 Ų51.648%0.48127%0.27SS..Hα-helixtrans-69.1-35-177.4-81.840.298.200111.3G293 L294 K299G293-E296 PolarHBondContact O-N 3.21Å; L294-E296 PolarHBondContact O-N 3.34Å; E296-K299 IonicContact OE2-NZ 3.53Å
297I89.8Confident89.2Confident26 Ų2643.4 Ų43.413%0.13323%0.234CC..Hα-helixtrans-68-43.5169.6-62-175.7000111Y191 L194 L195 G293 L294 R295 K299 T300 Y301Y191-I297 HydrophobicContact CD2-CD1 3.68Å; Y191-I297 HydrophobicContact CE2-CD1 3.17Å; Y191-I297 HydrophobicContact CE2-CG1 4.07Å; L194-I297 HydrophobicContact CB-CG2 3.67Å; L194-I297 HydrophobicContact CD1-CG2 4Å; L194-I297 HydrophobicContact CG-CG2 4.44Å; L195-I297 HydrophobicContact CD2-CD1 3.44Å; L195-I297 VanDerWaalsContact CD2-CD1 3.44Å; L195-I297 HydrophobicContact CG-CD1 3.67Å; G293-I297 PolarHBondContact O-N 3.28Å; L294-I297 PolarHBondContact O-N 3.41Å; L294-I297 VanDerWaalsContact O-N 3.13Å; R295-I297 VanDerWaalsContact C-N 3.32Å; R295-I297 PolarHBondContact O-N 3.33Å; I297-K299 VanDerWaalsContact C-N 3.29Å; I297-K299 PolarHBondContact O-N 3.21Å; I297-T300 WeakPolarHBondContact O-CB 3.27Å; I297-T300 PolarHBondContact O-N 2.76Å; I297-T300 PolarHBondContact O-OG1 3.18Å; I297-Y301 HydrophobicContact CG2-CE2 4.18Å; I297-Y301 WeakPolarHBondContact O-CD2 3.35Å
298L92.4Very high89.8Confident1 Ų144.7 Ų44.71%0.00524%0.24CC..Hα-helixtrans-60.2-39.6178.8-66.3174.7000111.7L194 L294 R295 T300 Y301 Y359 F426 Y437L194-L298 HydrophobicContact CD1-CD2 3.95Å; L294-L298 HydrophobicContact CD1-CD1 4.34Å; L294-L298 HydrophobicContact CD1-CD2 4.25Å; L294-L298 HydrophobicContact CD1-CG 4.05Å; L294-L298 HydrophobicContact CG-CD1 3.97Å; L294-L298 HydrophobicContact CG-CG 4.15Å; L294-L298 VanDerWaalsContact O-CG 3.26Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 2.95Å; R295-L298 WeakPolarHBondContact O-CB 3.46Å; R295-L298 PolarHBondContact O-N 2.99Å; R295-L298 VanDerWaalsContact O-N 3.12Å; L298-T300 PolarHBondContact O-N 3.31Å; L298-Y301 WeakPolarHBondContact O-CB 3.38Å; L298-Y301 PolarHBondContact O-N 3.45Å; L298-Y359 HydrophobicContact CB-CD1 4.18Å; L298-Y359 HydrophobicContact CB-CD2 3.85Å; L298-Y359 HydrophobicContact CB-CE1 4.31Å; L298-Y359 HydrophobicContact CB-CE2 3.99Å; L298-Y359 HydrophobicContact CB-CG 3.94Å; L298-Y359 HydrophobicContact CD1-CD2 4.36Å; L298-Y359 HydrophobicContact CD1-CE2 4.01Å; L298-Y359 VanDerWaalsContact O-CB 3.25Å; L298-Y359 WeakPolarHBondContact O-CB 3.38Å; L298-F426 HydrophobicContact CD2-CB 4.16Å; L298-F426 HydrophobicContact CD2-CD1 3.94Å; L298-F426 HydrophobicContact CD2-CD2 3.47Å; L298-F426 VanDerWaalsContact CD2-CD2 3.47Å; L298-F426 HydrophobicContact CD2-CE1 4.15Å; L298-F426 HydrophobicContact CD2-CE2 3.7Å; L298-F426 HydrophobicContact CD2-CG 3.58Å; L298-F426 HydrophobicContact CD2-CZ 4.04Å; L298-Y437 HydrophobicContact CD1-CD1 4.43Å; L298-Y437 HydrophobicContact CD1-CD2 3.93Å; L298-Y437 HydrophobicContact CD1-CE1 4.06Å; L298-Y437 HydrophobicContact CD1-CE2 3.5Å; L298-Y437 VanDerWaalsContact CD1-CE2 3.5Å; L298-Y437 HydrophobicContact CD1-CG 4.36Å
299K93Very high90.7Very high62 Ų6244.2 Ų44.227%0.2724%0.24SC..Hα-helixtrans-59.2-25.4174.1-76.6-178.6175.2179.20113.4R295 E296 I297 Y301 A302 Y359R295-K299 WeakPolarHBondContact O-CG 3.47Å; R295-K299 PolarHBondContact O-N 2.98Å; E296-K299 IonicContact OE2-NZ 3.53Å; I297-K299 VanDerWaalsContact C-N 3.29Å; I297-K299 PolarHBondContact O-N 3.21Å; K299-Y301 PolarHBondContact O-N 3.13Å; K299-Y301 VanDerWaalsContact O-N 3.16Å; K299-A302 VanDerWaalsContact O-CB 3.31Å; K299-A302 WeakPolarHBondContact O-CB 3.26Å; K299-A302 PolarHBondContact O-N 3.45Å; K299-A302 VanDerWaalsContact O-N 3.09Å; K299-Y359 HydrophobicContact CG-CD1 4.47Å; K299-Y359 HydrophobicContact CG-CE1 4.11Å
300T92.6Very high91.3Very high102 Ų10248.4 Ų48.463%0.62626%0.262SS*.THydrogen-bonded Turntrans-66.7-12.7173.273.80000113.6I297 L298I297-T300 WeakPolarHBondContact O-CB 3.27Å; I297-T300 PolarHBondContact O-N 2.76Å; I297-T300 PolarHBondContact O-OG1 3.18Å; L298-T300 PolarHBondContact O-N 3.31Å
301Y93.9Very high91.8Very high51 Ų5144.8 Ų44.820%0.225%0.249CC..THydrogen-bonded Turntrans-108.323.9174.9-54.6-69.9000112.2L194 I297 L298 K299 A303 R357 H358 Y359 F426L194-Y301 HydrophobicContact CD1-CE2 4.45Å; L194-Y301 HydrophobicContact CD2-CE2 3.88Å; I297-Y301 HydrophobicContact CG2-CE2 4.18Å; I297-Y301 WeakPolarHBondContact O-CD2 3.35Å; L298-Y301 WeakPolarHBondContact O-CB 3.38Å; L298-Y301 PolarHBondContact O-N 3.45Å; K299-Y301 PolarHBondContact O-N 3.13Å; K299-Y301 VanDerWaalsContact O-N 3.16Å; Y301-A303 PolarHBondContact O-N 2.76Å; Y301-R357 HydrophobicContact CD1-CB 3.66Å; Y301-R357 HydrophobicContact CD2-CB 4.46Å; Y301-R357 HydrophobicContact CE1-CB 4.11Å; Y301-R357 HydrophobicContact CG-CB 3.86Å; Y301-R357 PolarHBondContact OH-NH1 3.25Å; Y301-R357 VanDerWaalsContact OH-NH1 3.09Å; Y301-H358 CarbonylContact O-C 3.53Å; Y301-Y359 PolarHBondContact O-N 3.23Å; Y301-F426 HydrophobicContact CD2-CE2 4.1Å; Y301-F426 HydrophobicContact CG-CE2 4.47Å
302A95.1Very high92.2Very high46 Ų4644.5 Ų44.538%0.3825%0.247SC..BIsolated β-bridgetrans-51.6126.517900000111.5K299 Y359 L481K299-A302 VanDerWaalsContact O-CB 3.31Å; K299-A302 WeakPolarHBondContact O-CB 3.26Å; K299-A302 PolarHBondContact O-N 3.45Å; K299-A302 VanDerWaalsContact O-N 3.09Å; A302-Y359 CarbonylContact C-O 3.5Å; A302-Y359 WeakPolarHBondContact CA-O 3.44Å; A302-L481 HydrophobicContact CB-CB 3.99Å; A302-L481 HydrophobicContact CB-CD1 3.67Å; A302-L481 HydrophobicContact CB-CG 4.46Å
303A93.8Very high92.7Very high25 Ų2541.1 Ų41.121%0.20723%0.227CC..  trans-109.1132.4177.900000109.9Y301 V305 H358 Y359Y301-A303 PolarHBondContact O-N 2.76Å; A303-V305 HydrophobicContact CB-CG2 4.22Å; A303-V305 PolarHBondContact O-N 3.3Å; A303-H358 HydrophobicContact CB-CB 3.98Å; A303-Y359 PolarHBondContact N-O 3.48Å
304D91.6Very high93Very high105 Ų10541 Ų4156%0.56122%0.221SC*.  trans-81.480.5178.9-175.218.9000111.4H306 K323 Q351D304-H306 PolarHBondContact O-ND1 2.85Å; D304-H306 IonicContact OD1-CE1 3.18Å; D304-H306 PolarHBondContact OD1-CE1 2.78Å; D304-H306 IonicContact OD1-ND1 3.05Å; D304-H306 IonicContact OD1-NE2 3.54Å; D304-H306 IonicContact OD2-CE1 3.41Å; D304-H306 PolarHBondContact OD2-CE1 2.7Å; D304-H306 VanDerWaalsContact OD2-CE1 3.23Å; D304-H306 IonicContact OD2-ND1 3.33Å; D304-K323 IonicContact OD1-NZ 3.56Å; D304-K323 PolarHBondContact OD1-NZ 2.86Å; D304-Q351 PolarHBondContact O-NE2 2.87Å; D304-Q351 VanDerWaalsContact O-NE2 3.16Å
305V95.4Very high93.1Very high4 Ų444.5 Ų44.52%0.02423%0.234CC..  trans-83.4131.3-175.4-175.50000111.5A303 K323 W360 P460 F462 I478A303-V305 HydrophobicContact CB-CG2 4.22Å; A303-V305 PolarHBondContact O-N 3.3Å; V305-K323 WeakPolarHBondContact O-CD 3.34Å; V305-K323 WeakPolarHBondContact O-CE 3.39Å; V305-K323 PolarHBondContact O-NZ 2.96Å; V305-W360 HydrophobicContact CG2-CB 3.95Å; V305-W360 HydrophobicContact CG2-CD2 3.85Å; V305-W360 HydrophobicContact CG2-CE3 4.11Å; V305-W360 HydrophobicContact CG2-CG 3.79Å; V305-P460 HydrophobicContact CG1-CB 3.82Å; V305-P460 HydrophobicContact CG1-CG 3.75Å; V305-P460 HydrophobicContact CG2-CG 4.25Å; V305-F462 HydrophobicContact CG1-CE2 4.15Å; V305-F462 HydrophobicContact CG1-CZ 3.86Å; V305-I478 HydrophobicContact CB-CD1 4.29Å; V305-I478 HydrophobicContact CB-CG2 4.33Å; V305-I478 HydrophobicContact CG1-CD1 3.94Å
306H97Very high93.2Very high46 Ų4642.7 Ų42.721%0.21323%0.227CC..  trans-126145174.1-66.382000110.4D304 R322 K323 G349 S350 Q351D304-H306 PolarHBondContact O-ND1 2.85Å; D304-H306 IonicContact OD1-CE1 3.18Å; D304-H306 PolarHBondContact OD1-CE1 2.78Å; D304-H306 IonicContact OD1-ND1 3.05Å; D304-H306 IonicContact OD1-NE2 3.54Å; D304-H306 IonicContact OD2-CE1 3.41Å; D304-H306 PolarHBondContact OD2-CE1 2.7Å; D304-H306 VanDerWaalsContact OD2-CE1 3.23Å; D304-H306 IonicContact OD2-ND1 3.33Å; H306-R322 HydrophobicContact CB-CB 4.21Å; H306-K323 WeakPolarHBondContact NE2-CE 3.36Å; H306-G349 CarbonylContact O-C 3.53Å; H306-G349 WeakPolarHBondContact O-CA 3.41Å; H306-S350 PolarHBondContact O-N 3.44Å; H306-S350 PolarHBondContact O-OG 2.83Å; H306-Q351 PolarHBondContact ND1-NE2 2.76Å; H306-Q351 VanDerWaalsContact ND1-NE2 3.12Å; H306-Q351 PolarHBondContact O-OE1 2.8Å
307L97.7Very high93.4Very high2 Ų240.8 Ų40.81%0.0122%0.22CC..BIsolated β-bridgetrans-72.8144.5176-60.6169000110.7P309 V318 R322 R324 V325 V347 F462 I478L307-P309 WeakPolarHBondContact O-CD 3.48Å; L307-V318 HydrophobicContact CB-CG1 3.81Å; L307-V318 HydrophobicContact CD1-CG1 3.95Å; L307-R322 HydrophobicContact CB-CB 4.47Å; L307-R322 WeakPolarHBondContact CB-O 3.4Å; L307-R322 VanDerWaalsContact CG-O 3.32Å; L307-R322 WeakPolarHBondContact CG-O 3.37Å; L307-R322 PolarHBondContact N-O 3.15Å; L307-R322 WeakPolarHBondContact O-CD 3.49Å; L307-R324 VanDerWaalsContact CD1-C 3.49Å; L307-R324 WeakPolarHBondContact CD1-O 2.92Å; L307-V325 HydrophobicContact CD1-CB 3.75Å; L307-V325 HydrophobicContact CD1-CG1 4.06Å; L307-V347 HydrophobicContact CB-CG2 4.25Å; L307-V347 HydrophobicContact CD2-CG1 3.89Å; L307-V347 HydrophobicContact CD2-CG2 4.32Å; L307-F462 HydrophobicContact CD2-CB 4.35Å; L307-F462 HydrophobicContact CD2-CD2 3.38Å; L307-F462 HydrophobicContact CD2-CE2 3.69Å; L307-F462 HydrophobicContact CD2-CG 3.85Å; L307-F462 HydrophobicContact CD2-CZ 4.38Å; L307-I478 HydrophobicContact CD2-CD1 4.06Å; L307-I478 HydrophobicContact CG-CD1 3.97Å
308D96.1Very high93.6Very high38 Ų3840.8 Ų40.820%0.20322%0.221CC..  trans-102.1103.5174.7-172.9-8.5000111D310 T311 A312 V347 L348D308-D310 PolarHBondContact O-N 2.64Å; D308-D310 WeakPolarHBondContact OD1-CB 3.31Å; D308-D310 PolarHBondContact OD1-N 3.38Å; D308-T311 HydrophobicContact CB-CG2 4Å; D308-T311 PolarHBondContact O-N 3.37Å; D308-T311 VanDerWaalsContact O-N 3.09Å; D308-T311 PolarHBondContact O-OG1 3.01Å; D308-A312 PolarHBondContact O-N 3.31Å; D308-V347 WeakPolarHBondContact O-CG2 3.4Å; D308-L348 PolarHBondContact N-O 3.35Å
309P94.4Very high93.7Very high43 Ų4342.4 Ų42.428%0.27923%0.232SC..THydrogen-bonded Turntrans-60.6-23179.5-22.234.3000114.4L307 T311 A312 V318 R340L307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-T311 VanDerWaalsContact C-N 3.26Å; P309-T311 PolarHBondContact O-N 3.29Å; P309-A312 PolarHBondContact O-N 3.17Å; P309-V318 HydrophobicContact CG-CB 4.43Å; P309-V318 HydrophobicContact CG-CG1 4.25Å; P309-R340 PolarHBondContact O-NH1 3.02Å
310D93.4Very high93.8Very high93 Ų9348.8 Ų48.850%0.49726%0.263SS..THydrogen-bonded Turntrans-71.5-27.4178.8-73-30.8000111.4D308 N337D308-D310 PolarHBondContact O-N 2.64Å; D308-D310 WeakPolarHBondContact OD1-CB 3.31Å; D308-D310 PolarHBondContact OD1-N 3.38Å; D310-N337 PolarHBondContact O-ND2 2.84Å; D310-N337 PolarHBondContact O-OD1 2.81Å; D310-N337 VanDerWaalsContact O-OD1 3.14Å
311T94.5Very high93.9Very high1 Ų148.2 Ų48.21%0.00626%0.256CS..THydrogen-bonded Turntrans-84.5-22.317671.50000113.7D308 P309 Y313 E339 F341 L348D308-T311 HydrophobicContact CB-CG2 4Å; D308-T311 PolarHBondContact O-N 3.37Å; D308-T311 VanDerWaalsContact O-N 3.09Å; D308-T311 PolarHBondContact O-OG1 3.01Å; P309-T311 VanDerWaalsContact C-N 3.26Å; P309-T311 PolarHBondContact O-N 3.29Å; T311-Y313 PolarHBondContact O-N 2.66Å; T311-E339 WeakPolarHBondContact CA-O 3.17Å; T311-F341 WeakPolarHBondContact O-CD2 3.19Å; T311-F341 PolarHBondContact O-N 2.93Å; T311-L348 HydrophobicContact CG2-CB 4.21Å; T311-L348 HydrophobicContact CG2-CD1 4.41Å; T311-L348 HydrophobicContact CG2-CG 4.43Å; T311-L348 PolarHBondContact OG1-N 3.07Å
312A93.6Very high94Very high2 Ų251.3 Ų51.32%0.01727%0.267CS..SBendtrans-63.4133.3-169.700000112.8D308 P309 L316 V318 R340 I346 V347D308-A312 PolarHBondContact O-N 3.31Å; P309-A312 PolarHBondContact O-N 3.17Å; A312-L316 HydrophobicContact CB-CB 4.33Å; A312-V318 HydrophobicContact CB-CG2 4.23Å; A312-R340 WeakPolarHBondContact O-CD 3.05Å; A312-R340 WeakPolarHBondContact O-CG 3.43Å; A312-R340 PolarHBondContact O-NH1 3.14Å; A312-I346 WeakPolarHBondContact CA-O 3.41Å; A312-V347 HydrophobicContact CB-CB 3.92Å; A312-V347 HydrophobicContact CB-CG2 3.72Å
313Y91.8Very high94.1Very high36 Ų3650.9 Ų50.914%0.14126%0.257CS..  trans-52.8143.6168.9173.8-115.9000111.7T311 R315 L316 Y327 F341 Y342 Y344 N345 I346T311-Y313 PolarHBondContact O-N 2.66Å; Y313-R315 HydrophobicContact CD1-CB 3.93Å; Y313-R315 HydrophobicContact CD1-CG 4.42Å; Y313-R315 HydrophobicContact CE1-CB 3.66Å; Y313-R315 HydrophobicContact CE1-CG 3.73Å; Y313-R315 PolarHBondContact O-N 3.18Å; Y313-L316 HydrophobicContact CD1-CG 4.47Å; Y313-L316 WeakPolarHBondContact O-CB 3.17Å; Y313-L316 PolarHBondContact O-N 3.01Å; Y313-Y327 HydrophobicContact CE1-CE2 4.35Å; Y313-F341 WeakPolarHBondContact CA-O 3.35Å; Y313-F341 WeakPolarHBondContact CD2-O 3.47Å; Y313-Y342 WeakPolarHBondContact CE2-O 3.28Å; Y313-Y344 VanDerWaalsContact CB-O 3.23Å; Y313-Y344 WeakPolarHBondContact CB-O 3.37Å; Y313-N345 VanDerWaalsContact CD1-OD1 3.24Å; Y313-N345 WeakPolarHBondContact CD1-OD1 3.47Å; Y313-N345 VanDerWaalsContact CE1-OD1 3.24Å; Y313-N345 WeakPolarHBondContact CE1-OD1 3.34Å; Y313-I346 PolarHBondContact N-O 2.96Å
314S90.1Very high94.2Very high30 Ų3055.6 Ų55.621%0.2127%0.269CS..THydrogen-bonded Turntrans-61.8-13.3-166.357.40000115.9Q332S314-Q332 WeakPolarHBondContact O-CB 3.39Å; S314-Q332 PolarHBondContact O-N 2.88Å
315R90.1Very high94.4Very high79 Ų7950.7 Ų50.730%0.29824%0.243SC..THydrogen-bonded Turntrans-95.3-9.2172.8-65.2-173.4173.8-152-5114.3Y313 Y327 G328 N331Y313-R315 HydrophobicContact CD1-CB 3.93Å; Y313-R315 HydrophobicContact CD1-CG 4.42Å; Y313-R315 HydrophobicContact CE1-CB 3.66Å; Y313-R315 HydrophobicContact CE1-CG 3.73Å; Y313-R315 PolarHBondContact O-N 3.18Å; R315-Y327 HydrophobicContact CB-CD2 4.44Å; R315-Y327 HydrophobicContact CB-CE2 3.95Å; R315-Y327 WeakPolarHBondContact CD-OH 3.35Å; R315-Y327 PolarHBondContact NH1-OH 3.2Å; R315-Y327 VanDerWaalsContact NH1-OH 3.17Å; R315-G328 WeakPolarHBondContact O-CA 3.3Å; R315-G328 PolarHBondContact O-N 3.02Å; R315-N331 WeakPolarHBondContact CD-OD1 3.46Å; R315-N331 WeakPolarHBondContact CG-OD1 3.33Å; R315-N331 PolarHBondContact NE-OD1 3.38Å
316L92.1Very high94.2Very high2 Ų253.5 Ų53.51%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-82.9122.6-178.4-64.1-172.6000110.6A312 Y313 V325 H326 Y327 Q332 N345 V347 P464A312-L316 HydrophobicContact CB-CB 4.33Å; Y313-L316 HydrophobicContact CD1-CG 4.47Å; Y313-L316 WeakPolarHBondContact O-CB 3.17Å; Y313-L316 PolarHBondContact O-N 3.01Å; L316-V325 HydrophobicContact CB-CG2 3.91Å; L316-V325 HydrophobicContact CD1-CG2 4.17Å; L316-V325 HydrophobicContact CD2-CG2 4.4Å; L316-V325 HydrophobicContact CG-CG2 4.39Å; L316-H326 WeakPolarHBondContact CA-O 3.34Å; L316-Y327 HydrophobicContact CD2-CD2 4.02Å; L316-Q332 PolarHBondContact O-NE2 2.94Å; L316-N345 HydrophobicContact CD2-CB 4.24Å; L316-V347 HydrophobicContact CD1-CB 4.17Å; L316-V347 HydrophobicContact CD1-CG1 4.28Å; L316-P464 HydrophobicContact CD1-CG 4.4Å; L316-P464 HydrophobicContact CD2-CG 3.47Å; L316-P464 VanDerWaalsContact CD2-CG 3.47Å
317I92.4Very high93.8Very high62 Ų6252.9 Ų52.932%0.31825%0.252SS..EExtended strand (participates in β ladder)trans-94.1118.8175.2-60.5169.8000107.4V325 H326I317-V325 WeakPolarHBondContact O-CA 3.23Å; I317-H326 PolarHBondContact N-O 2.63Å; I317-H326 PolarHBondContact O-N 2.78Å; I317-H326 VanDerWaalsContact O-N 3.12Å
318V94.6Very high93.2Very high27 Ų2752.9 Ų52.916%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-97.3133174-1800000108L307 P309 A312 R322 R324 V325 V347L307-V318 HydrophobicContact CB-CG1 3.81Å; L307-V318 HydrophobicContact CD1-CG1 3.95Å; P309-V318 HydrophobicContact CG-CB 4.43Å; P309-V318 HydrophobicContact CG-CG1 4.25Å; A312-V318 HydrophobicContact CB-CG2 4.23Å; V318-R322 HydrophobicContact CG1-CB 4.35Å; V318-R322 HydrophobicContact CG1-CG 4.47Å; V318-R324 WeakPolarHBondContact CA-O 3.46Å; V318-V325 HydrophobicContact CG2-CG2 4.31Å; V318-V347 HydrophobicContact CG2-CG2 4.35Å
319S95.3Very high92.5Very high34 Ų3458.3 Ų58.324%0.23828%0.281CS..PPolyproline II helixtrans-65.6160.5177.152.20000112.3D321 R322 K323 R324S319-D321 VanDerWaalsContact C-N 3.3Å; S319-D321 VanDerWaalsContact CB-OD1 3.27Å; S319-D321 WeakPolarHBondContact CB-OD1 3.47Å; S319-D321 PolarHBondContact O-N 2.86Å; S319-D321 PolarHBondContact OG-OD1 3.37Å; S319-R322 WeakPolarHBondContact O-CA 3.44Å; S319-R322 PolarHBondContact O-N 2.87Å; S319-K323 PolarHBondContact OG-N 3.35Å; S319-R324 PolarHBondContact N-O 3Å; S319-R324 WeakPolarHBondContact OG-CA 3.35Å; S319-R324 VanDerWaalsContact OG-CB 3.31Å; S319-R324 WeakPolarHBondContact OG-CB 3.25Å; S319-R324 PolarHBondContact OG-N 2.92Å; S319-R324 PolarHBondContact OG-O 3.01Å
320E94.6Very high91.8Very high197 Ų19761.2 Ų61.292%0.92130%0.298SS*.THydrogen-bonded Turntrans-59.8-39.1-179.5-172.8174.5-170.100112.7R322E320-R322 PolarHBondContact O-N 3.12Å
321D94.4Very high91.2Very high89 Ų8961 Ų6148%0.47630%0.297SS..THydrogen-bonded Turntrans-70.6-5.6173.766.94.8000113.7S319 K323S319-D321 VanDerWaalsContact C-N 3.3Å; S319-D321 VanDerWaalsContact CB-OD1 3.27Å; S319-D321 WeakPolarHBondContact CB-OD1 3.47Å; S319-D321 PolarHBondContact O-N 2.86Å; S319-D321 PolarHBondContact OG-OD1 3.37Å; D321-K323 HydrophobicContact CB-CG 4.46Å; D321-K323 PolarHBondContact O-N 3.38Å; D321-K323 VanDerWaalsContact O-N 3.15Å; D321-K323 PolarHBondContact OD1-N 3.24Å
322R96.5Very high90.6Very high117 Ų11764.2 Ų64.244%0.44231%0.312SS..SBendtrans5525.3-176.1-52.4-178.3-178.1-163-0.1114.2H306 L307 V318 S319 E320H306-R322 HydrophobicContact CB-CB 4.21Å; L307-R322 HydrophobicContact CB-CB 4.47Å; L307-R322 WeakPolarHBondContact CB-O 3.4Å; L307-R322 VanDerWaalsContact CG-O 3.32Å; L307-R322 WeakPolarHBondContact CG-O 3.37Å; L307-R322 PolarHBondContact N-O 3.15Å; L307-R322 WeakPolarHBondContact O-CD 3.49Å; V318-R322 HydrophobicContact CG1-CB 4.35Å; V318-R322 HydrophobicContact CG1-CG 4.47Å; S319-R322 WeakPolarHBondContact O-CA 3.44Å; S319-R322 PolarHBondContact O-N 2.87Å; E320-R322 PolarHBondContact O-N 3.12Å
323K96.6Very high90.1Very high37 Ų3774.3 Ų74.316%0.16136%0.356CS..  trans-101.7-14.7176.9-64.7-66.7-177.71730113.2D304 V305 H306 S319 D321 A477 I478D304-K323 IonicContact OD1-NZ 3.56Å; D304-K323 PolarHBondContact OD1-NZ 2.86Å; V305-K323 WeakPolarHBondContact O-CD 3.34Å; V305-K323 WeakPolarHBondContact O-CE 3.39Å; V305-K323 PolarHBondContact O-NZ 2.96Å; H306-K323 WeakPolarHBondContact NE2-CE 3.36Å; S319-K323 PolarHBondContact OG-N 3.35Å; D321-K323 HydrophobicContact CB-CG 4.46Å; D321-K323 PolarHBondContact O-N 3.38Å; D321-K323 VanDerWaalsContact O-N 3.15Å; D321-K323 PolarHBondContact OD1-N 3.24Å; K323-A477 CarbonylContact O-C 3.5Å; K323-A477 WeakPolarHBondContact O-CA 3.49Å; K323-I478 HydrophobicContact CB-CB 4.48Å; K323-I478 HydrophobicContact CD-CB 4.04Å; K323-I478 HydrophobicContact CD-CG2 4.16Å; K323-I478 PolarHBondContact O-N 3.24Å
324R96.3Very high89.6Confident124 Ų12475.8 Ų75.847%0.46837%0.366SS..EExtended strand (participates in β ladder)trans-125.2142.4-174.7-49.3175.471.5175.33.8111.4L307 V318 S319 P475 L476 A477L307-R324 VanDerWaalsContact CD1-C 3.49Å; L307-R324 WeakPolarHBondContact CD1-O 2.92Å; V318-R324 WeakPolarHBondContact CA-O 3.46Å; S319-R324 PolarHBondContact N-O 3Å; S319-R324 WeakPolarHBondContact OG-CA 3.35Å; S319-R324 VanDerWaalsContact OG-CB 3.31Å; S319-R324 WeakPolarHBondContact OG-CB 3.25Å; S319-R324 PolarHBondContact OG-N 2.92Å; S319-R324 PolarHBondContact OG-O 3.01Å; R324-P475 HydrophobicContact CB-CB 4.2Å; R324-L476 CarbonylContact C-O 3.52Å; R324-L476 VanDerWaalsContact CA-O 3.23Å; R324-L476 WeakPolarHBondContact CA-O 3.48Å; R324-A477 HydrophobicContact CG-CB 3.95Å
325V95.1Very high89.2Confident1 Ų178.9 Ų78.91%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-137.2135.517261.40000111.2L307 L316 I317 V318 V347 P464 P475 L476L307-V325 HydrophobicContact CD1-CB 3.75Å; L307-V325 HydrophobicContact CD1-CG1 4.06Å; L316-V325 HydrophobicContact CB-CG2 3.91Å; L316-V325 HydrophobicContact CD1-CG2 4.17Å; L316-V325 HydrophobicContact CD2-CG2 4.4Å; L316-V325 HydrophobicContact CG-CG2 4.39Å; I317-V325 WeakPolarHBondContact O-CA 3.23Å; V318-V325 HydrophobicContact CG2-CG2 4.31Å; V325-V347 HydrophobicContact CB-CG1 4.22Å; V325-V347 HydrophobicContact CG1-CG1 3.98Å; V325-V347 HydrophobicContact CG2-CG1 3.96Å; V325-P464 HydrophobicContact CG2-CG 4.32Å; V325-P475 CarbonylContact O-C 3.42Å; V325-P475 VanDerWaalsContact O-CA 3.23Å; V325-P475 WeakPolarHBondContact O-CA 2.87Å; V325-P475 WeakPolarHBondContact O-CB 3.27Å; V325-L476 HydrophobicContact CG1-CB 3.97Å; V325-L476 HydrophobicContact CG1-CD1 4.42Å; V325-L476 PolarHBondContact N-O 2.99Å; V325-L476 PolarHBondContact O-N 3.14Å
326H91.5Very high88.7Confident63 Ų6382 Ų8229%0.29241%0.408SS..EExtended strand (participates in β ladder)trans-136.8165.4169.367111.6000111.2L316 I317 P475L316-H326 WeakPolarHBondContact CA-O 3.34Å; I317-H326 PolarHBondContact N-O 2.63Å; I317-H326 PolarHBondContact O-N 2.78Å; I317-H326 VanDerWaalsContact O-N 3.12Å; H326-P475 HydrophobicContact CB-CB 3.96Å
327Y88.9Confident88.4Confident34 Ų3483.1 Ų83.113%0.13341%0.414CS..EExtended strand (participates in β ladder)trans-78.5127.2172.1-165.1-89.6000109.1Y313 R315 L316 N345 Y466Y313-Y327 HydrophobicContact CE1-CE2 4.35Å; R315-Y327 HydrophobicContact CB-CD2 4.44Å; R315-Y327 HydrophobicContact CB-CE2 3.95Å; R315-Y327 WeakPolarHBondContact CD-OH 3.35Å; R315-Y327 PolarHBondContact NH1-OH 3.2Å; R315-Y327 VanDerWaalsContact NH1-OH 3.17Å; L316-Y327 HydrophobicContact CD2-CD2 4.02Å; Y327-N345 WeakPolarHBondContact CE2-ND2 3.39Å; Y327-Y466 HydrophobicContact CE2-CD1 4.32Å
328G85.4Confident88.1Confident2 Ų284.7 Ų84.72%0.02143%0.428CS..  trans-94.1155.7175.500000112.6R315 T330R315-G328 WeakPolarHBondContact O-CA 3.3Å; R315-G328 PolarHBondContact O-N 3.02Å; G328-T330 VanDerWaalsContact C-N 3.31Å; G328-T330 PolarHBondContact O-N 2.94Å
329D80.9Confident87.9Confident152 Ų15287.7 Ų87.781%0.81344%0.44SS*.SBendtrans-73.3-24-178.8-61.4-40.7000113.1
330T80.3Confident87.7Confident104 Ų10487.2 Ų87.264%0.63843%0.433SS*.SBendtrans-121.3148.1-176.8590000112.1G328 Q332G328-T330 VanDerWaalsContact C-N 3.31Å; G328-T330 PolarHBondContact O-N 2.94Å; T330-Q332 PolarHBondContact O-N 3.16Å
331N80.9Confident87.5Confident89 Ų8977.9 Ų77.948%0.47639%0.389SS..  trans-65.4126.4168.8-84.2-12.8000109.1R315R315-N331 WeakPolarHBondContact CD-OD1 3.46Å; R315-N331 WeakPolarHBondContact CG-OD1 3.33Å; R315-N331 PolarHBondContact NE-OD1 3.38Å
332Q82.3Confident87Confident67 Ų6782 Ų8231%0.31340%0.399SS..  trans-73.3141.9171.6-64.3174.649.900110.3S314 L316 T330 L334S314-Q332 WeakPolarHBondContact O-CB 3.39Å; S314-Q332 PolarHBondContact O-N 2.88Å; L316-Q332 PolarHBondContact O-NE2 2.94Å; T330-Q332 PolarHBondContact O-N 3.16Å; Q332-L334 HydrophobicContact CB-CD1 3.98Å; Q332-L334 HydrophobicContact CB-CD2 4.28Å; Q332-L334 HydrophobicContact CB-CG 3.72Å; Q332-L334 PolarHBondContact O-N 2.83Å
333K81.6Confident86.3Confident215 Ų21581.3 Ų81.394%0.93540%0.397SS*.  trans-81.172.7174.2-65.4-176.1-177.61790109.7
334L82.4Confident85.8Confident67 Ų6783 Ų8335%0.35140%0.403SS..PPolyproline II helixtrans-95.9148.4178.9-60.1175.4000110.5Q332Q332-L334 HydrophobicContact CB-CD1 3.98Å; Q332-L334 HydrophobicContact CB-CD2 4.28Å; Q332-L334 HydrophobicContact CB-CG 3.72Å; Q332-L334 PolarHBondContact O-N 2.83Å
335P80.6Confident85.6Confident94 Ų9477.4 Ų77.461%0.6138%0.382SS*.PPolyproline II helixtrans-62.1145.6173.227.4-33.8000110.1N337P335-N337 PolarHBondContact O-N 2.87Å
336D79.9Confident85.6Confident146 Ų14677.4 Ų77.478%0.78138%0.382SS*.PPolyproline II helixtrans-64.4129.8170.3-171.127.8000108.8
337N85.7Confident85.8Confident25 Ų2574.4 Ų74.413%0.13437%0.368CS..  trans-142.4145.4176.580.643.1000108.5D310 P335 E339 R340D310-N337 PolarHBondContact O-ND2 2.84Å; D310-N337 PolarHBondContact O-OD1 2.81Å; D310-N337 VanDerWaalsContact O-OD1 3.14Å; P335-N337 PolarHBondContact O-N 2.87Å; N337-E339 PolarHBondContact O-N 2.84Å; N337-E339 VanDerWaalsContact OD1-C 3.31Å; N337-E339 WeakPolarHBondContact OD1-CA 3.25Å; N337-E339 WeakPolarHBondContact OD1-CB 3.41Å; N337-E339 PolarHBondContact OD1-N 3.09Å; N337-R340 PolarHBondContact ND2-NH2 2.86Å; N337-R340 PolarHBondContact O-N 2.89Å; N337-R340 VanDerWaalsContact OD1-CB 3.27Å; N337-R340 WeakPolarHBondContact OD1-CB 3.43Å; N337-R340 PolarHBondContact OD1-N 2.83Å
338P86.4Confident86.2Confident94 Ų9472.8 Ų72.861%0.6136%0.362SS*.THydrogen-bonded Turntrans-68.9-17.5-177.428.2-35000113R340P338-R340 VanDerWaalsContact C-N 3.32Å
339E89.4Confident86.7Confident91 Ų9172.7 Ų72.743%0.42536%0.361SS..THydrogen-bonded Turntrans-80.5-12.8-179.1-62.5-62.9123.100112.2T311 N337 R381T311-E339 WeakPolarHBondContact CA-O 3.17Å; N337-E339 PolarHBondContact O-N 2.84Å; N337-E339 VanDerWaalsContact OD1-C 3.31Å; N337-E339 WeakPolarHBondContact OD1-CA 3.25Å; N337-E339 WeakPolarHBondContact OD1-CB 3.41Å; N337-E339 PolarHBondContact OD1-N 3.09Å; E339-R381 VanDerWaalsContact C-NH1 3.31Å; E339-R381 WeakPolarHBondContact O-CD 3.44Å; E339-R381 PolarHBondContact O-NH1 2.98Å; E339-R381 IonicContact OE2-CZ 2.94Å; E339-R381 IonicContact OE2-NH1 3.53Å; E339-R381 PolarHBondContact OE2-NH1 3.44Å; E339-R381 IonicContact OE2-NH2 2.78Å; E339-R381 PolarHBondContact OE2-NH2 2.84Å
340R91.7Very high87.3Confident24 Ų2468 Ų689%0.09134%0.34CS..SBendtrans-82.1133.1-174.1-164.5174.5-60.4-68.9-3.3111.7P309 A312 N337 P338 Y342P309-R340 PolarHBondContact O-NH1 3.02Å; A312-R340 WeakPolarHBondContact O-CD 3.05Å; A312-R340 WeakPolarHBondContact O-CG 3.43Å; A312-R340 PolarHBondContact O-NH1 3.14Å; N337-R340 PolarHBondContact ND2-NH2 2.86Å; N337-R340 PolarHBondContact O-N 2.89Å; N337-R340 VanDerWaalsContact OD1-CB 3.27Å; N337-R340 WeakPolarHBondContact OD1-CB 3.43Å; N337-R340 PolarHBondContact OD1-N 2.83Å; P338-R340 VanDerWaalsContact C-N 3.32Å; R340-Y342 PolarHBondContact O-N 2.99Å
341F90.4Very high87.9Confident0 Ų066.3 Ų66.30%033%0.325CS..  trans-68.8128.9167-77.3-86.1000110.7T311 Y313 I346 L348 V379 R381 V385T311-F341 WeakPolarHBondContact O-CD2 3.19Å; T311-F341 PolarHBondContact O-N 2.93Å; Y313-F341 WeakPolarHBondContact CA-O 3.35Å; Y313-F341 WeakPolarHBondContact CD2-O 3.47Å; F341-I346 HydrophobicContact CB-CB 4.3Å; F341-I346 HydrophobicContact CD1-CB 4.2Å; F341-I346 HydrophobicContact CD1-CD1 3.91Å; F341-I346 HydrophobicContact CD1-CG2 4.47Å; F341-I346 HydrophobicContact CD2-CB 3.93Å; F341-I346 HydrophobicContact CD2-CG2 3.8Å; F341-I346 HydrophobicContact CE1-CD1 3.99Å; F341-I346 HydrophobicContact CE1-CG2 4.39Å; F341-I346 HydrophobicContact CE2-CB 4.33Å; F341-I346 HydrophobicContact CE2-CG2 3.73Å; F341-I346 HydrophobicContact CG-CB 3.86Å; F341-I346 HydrophobicContact CG-CD1 4.44Å; F341-I346 HydrophobicContact CG-CG2 4.19Å; F341-I346 HydrophobicContact CZ-CG2 4.02Å; F341-L348 HydrophobicContact CE2-CD1 3.89Å; F341-L348 HydrophobicContact CE2-CD2 3.97Å; F341-L348 HydrophobicContact CE2-CG 3.79Å; F341-L348 HydrophobicContact CZ-CD1 4.4Å; F341-L348 HydrophobicContact CZ-CD2 4.37Å; F341-V379 HydrophobicContact CZ-CG2 3.94Å; F341-R381 WeakPolarHBondContact CA-O 3.38Å; F341-R381 HydrophobicContact CD1-CB 4.07Å; F341-R381 HydrophobicContact CD1-CG 4.47Å; F341-R381 HydrophobicContact CE1-CB 4.13Å; F341-R381 HydrophobicContact CE1-CG 4.08Å; F341-R381 HydrophobicContact CE2-CG 4.26Å; F341-R381 HydrophobicContact CG-CB 4.36Å; F341-R381 HydrophobicContact CZ-CB 4.45Å; F341-R381 HydrophobicContact CZ-CG 3.97Å; F341-V385 HydrophobicContact CE1-CG2 4.33Å
342Y83.6Confident88.5Confident175 Ų17564.6 Ų64.669%0.68632%0.319SS*.SBendtrans-98.8-35.1-176.3-170.8-96.6000114Y313 R340 R381Y313-Y342 WeakPolarHBondContact CE2-O 3.28Å; R340-Y342 PolarHBondContact O-N 2.99Å; Y342-R381 PolarHBondContact N-O 2.79Å; Y342-R381 VanDerWaalsContact N-O 3.11Å
343R82.8Confident89.1Confident103 Ų10361.7 Ų61.739%0.38931%0.306SS..SBendtrans-102.8-21.7-171.8-68.7-172.7-179.7159.512.2114.7K382 E383R343-K382 PolarHBondContact NE-O 3.21Å; R343-E383 IonicContact CZ-OE2 2.85Å; R343-E383 IonicContact NH1-OE2 3.01Å; R343-E383 PolarHBondContact NH1-OE2 2.9Å; R343-E383 IonicContact NH2-OE1 3.27Å; R343-E383 IonicContact NH2-OE2 2.98Å; R343-E383 PolarHBondContact NH2-OE2 2.92Å
344Y86.4Confident89.7Confident73 Ų7354.3 Ų54.329%0.28628%0.281SS..SBendtrans-127.4143-168.5-61.6-80.9000111.2Y313 I346 V384 V385Y313-Y344 VanDerWaalsContact CB-O 3.23Å; Y313-Y344 WeakPolarHBondContact CB-O 3.37Å; Y344-I346 VanDerWaalsContact CB-CD1 3.46Å; Y344-I346 HydrophobicContact CG-CD1 4.25Å; Y344-I346 PolarHBondContact O-N 3.41Å; Y344-V384 WeakPolarHBondContact OH-CA 3.3Å; Y344-V384 WeakPolarHBondContact OH-CG1 3.28Å; Y344-V385 HydrophobicContact CD2-CB 3.67Å; Y344-V385 HydrophobicContact CD2-CG2 3.46Å; Y344-V385 VanDerWaalsContact CD2-CG2 3.46Å; Y344-V385 HydrophobicContact CE2-CB 3.55Å; Y344-V385 HydrophobicContact CE2-CG2 3.59Å; Y344-V385 HydrophobicContact CG-CB 4.33Å; Y344-V385 HydrophobicContact CG-CG2 4.4Å; Y344-V385 PolarHBondContact OH-N 3.36Å
345N90.9Very high90.4Very high6 Ų654.2 Ų54.23%0.03229%0.286CS..  trans-71.266.4179.4-55.9-15.7000110.9Y313 L316 Y327 S463 C465 Y466Y313-N345 VanDerWaalsContact CD1-OD1 3.24Å; Y313-N345 WeakPolarHBondContact CD1-OD1 3.47Å; Y313-N345 VanDerWaalsContact CE1-OD1 3.24Å; Y313-N345 WeakPolarHBondContact CE1-OD1 3.34Å; L316-N345 HydrophobicContact CD2-CB 4.24Å; Y327-N345 WeakPolarHBondContact CE2-ND2 3.39Å; N345-S463 VanDerWaalsContact O-CA 3.28Å; N345-S463 WeakPolarHBondContact O-CA 2.97Å; N345-S463 VanDerWaalsContact O-CB 3.27Å; N345-S463 WeakPolarHBondContact O-CB 3.41Å; N345-S463 PolarHBondContact O-OG 2.74Å; N345-C465 VanDerWaalsContact ND2-C 3.35Å; N345-C465 PolarHBondContact ND2-O 2.73Å; N345-Y466 WeakPolarHBondContact ND2-CD1 3.33Å
346I94.5Very high91Very high1 Ų150.9 Ų50.91%0.00527%0.269CS..  trans-119.5142.7-174.5-58.9168.8000109A312 Y313 F341 Y344 L348 V385 Y461 F462A312-I346 WeakPolarHBondContact CA-O 3.41Å; Y313-I346 PolarHBondContact N-O 2.96Å; F341-I346 HydrophobicContact CB-CB 4.3Å; F341-I346 HydrophobicContact CD1-CB 4.2Å; F341-I346 HydrophobicContact CD1-CD1 3.91Å; F341-I346 HydrophobicContact CD1-CG2 4.47Å; F341-I346 HydrophobicContact CD2-CB 3.93Å; F341-I346 HydrophobicContact CD2-CG2 3.8Å; F341-I346 HydrophobicContact CE1-CD1 3.99Å; F341-I346 HydrophobicContact CE1-CG2 4.39Å; F341-I346 HydrophobicContact CE2-CB 4.33Å; F341-I346 HydrophobicContact CE2-CG2 3.73Å; F341-I346 HydrophobicContact CG-CB 3.86Å; F341-I346 HydrophobicContact CG-CD1 4.44Å; F341-I346 HydrophobicContact CG-CG2 4.19Å; F341-I346 HydrophobicContact CZ-CG2 4.02Å; Y344-I346 VanDerWaalsContact CB-CD1 3.46Å; Y344-I346 HydrophobicContact CG-CD1 4.25Å; Y344-I346 PolarHBondContact O-N 3.41Å; I346-L348 HydrophobicContact CG2-CD2 3.98Å; I346-V385 HydrophobicContact CD1-CG1 4.44Å; I346-Y461 HydrophobicContact CB-CE2 4.34Å; I346-Y461 HydrophobicContact CD1-CE2 3.76Å; I346-Y461 WeakPolarHBondContact CD1-OH 3.15Å; I346-Y461 HydrophobicContact CG1-CE2 3.9Å; I346-Y461 WeakPolarHBondContact CG1-OH 3.49Å; I346-Y461 HydrophobicContact CG2-CD2 3.85Å; I346-Y461 HydrophobicContact CG2-CE2 3.48Å; I346-Y461 VanDerWaalsContact CG2-CE2 3.48Å; I346-F462 WeakPolarHBondContact CA-O 3.09Å
347V96.1Very high91.8Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-136.2142.2164.758.70000108.1L307 D308 A312 L316 V318 V325 F462L307-V347 HydrophobicContact CB-CG2 4.25Å; L307-V347 HydrophobicContact CD2-CG1 3.89Å; L307-V347 HydrophobicContact CD2-CG2 4.32Å; D308-V347 WeakPolarHBondContact O-CG2 3.4Å; A312-V347 HydrophobicContact CB-CB 3.92Å; A312-V347 HydrophobicContact CB-CG2 3.72Å; L316-V347 HydrophobicContact CD1-CB 4.17Å; L316-V347 HydrophobicContact CD1-CG1 4.28Å; V318-V347 HydrophobicContact CG2-CG2 4.35Å; V325-V347 HydrophobicContact CB-CG1 4.22Å; V325-V347 HydrophobicContact CG1-CG1 3.98Å; V325-V347 HydrophobicContact CG2-CG1 3.96Å; V347-F462 HydrophobicContact CG1-CB 3.96Å; V347-F462 PolarHBondContact N-O 2.99Å; V347-F462 PolarHBondContact O-N 3.17Å
348L97.4Very high92.3Very high0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-100.3161.3177.9-54.3-174.8000111.1D308 T311 F341 I346 C375 L459 P460 Y461D308-L348 PolarHBondContact N-O 3.35Å; T311-L348 HydrophobicContact CG2-CB 4.21Å; T311-L348 HydrophobicContact CG2-CD1 4.41Å; T311-L348 HydrophobicContact CG2-CG 4.43Å; T311-L348 PolarHBondContact OG1-N 3.07Å; F341-L348 HydrophobicContact CE2-CD1 3.89Å; F341-L348 HydrophobicContact CE2-CD2 3.97Å; F341-L348 HydrophobicContact CE2-CG 3.79Å; F341-L348 HydrophobicContact CZ-CD1 4.4Å; F341-L348 HydrophobicContact CZ-CD2 4.37Å; I346-L348 HydrophobicContact CG2-CD2 3.98Å; L348-C375 VanDerWaalsContact CD2-SG 3.53Å; L348-L459 HydrophobicContact CB-CB 4.41Å; L348-L459 HydrophobicContact CB-CD1 4.36Å; L348-L459 HydrophobicContact CD1-CB 4.44Å; L348-L459 HydrophobicContact CD1-CD1 3.68Å; L348-P460 CarbonylContact C-O 3.6Å; L348-P460 VanDerWaalsContact CA-O 3.27Å; L348-P460 WeakPolarHBondContact CA-O 3.37Å; L348-Y461 HydrophobicContact CD2-CD2 4.12Å
349G96.8Very high92.8Very high1 Ų143.6 Ų43.61%0.0122%0.218CC..BIsolated β-bridgetrans-72.8152.916500000111.6H306 P460H306-G349 CarbonylContact O-C 3.53Å; H306-G349 WeakPolarHBondContact O-CA 3.41Å; G349-P460 PolarHBondContact N-O 2.82Å
350S93.6Very high93.2Very high52 Ų5239.3 Ų39.336%0.36420%0.198SC..SBendtrans-82.8-25177.659.80000113H306H306-S350 PolarHBondContact O-N 3.44Å; H306-S350 PolarHBondContact O-OG 2.83Å
351Q91.6Very high93.5Very high70 Ų7038.3 Ų38.333%0.32719%0.194SC..SBendtrans-82.3125.4179.1-62.877.211.800111.2D304 H306 P460D304-Q351 PolarHBondContact O-NE2 2.87Å; D304-Q351 VanDerWaalsContact O-NE2 3.16Å; H306-Q351 PolarHBondContact ND1-NE2 2.76Å; H306-Q351 VanDerWaalsContact ND1-NE2 3.12Å; H306-Q351 PolarHBondContact O-OE1 2.8Å; Q351-P460 WeakPolarHBondContact O-CD 3.49Å
352C93.8Very high93.9Very high53 Ų5338.3 Ų38.336%0.35819%0.194SC..  trans-92.2126.5-179.2-163.60000111.2R457 L459C352-R457 WeakPolarHBondContact SG-CB 3.28Å; C352-R457 VanDerWaalsContact SG-CD 3.57Å; C352-L459 HydrophobicContact CB-CD2 4.03Å
353I95.8Very high94.6Very high6 Ų632.6 Ų32.63%0.03117%0.174CC..BIsolated β-bridgetrans-97.3115179-58.8168.4000108.5H358 W360 V427 Y429 R457 L458 P460I353-H358 HydrophobicContact CD1-CB 4.21Å; I353-W360 HydrophobicContact CD1-CH2 4.15Å; I353-W360 HydrophobicContact CD1-CZ3 4.02Å; I353-V427 HydrophobicContact CD1-CG2 4.46Å; I353-V427 HydrophobicContact CG2-CG1 4.3Å; I353-Y429 HydrophobicContact CG2-CD2 4.01Å; I353-R457 WeakPolarHBondContact O-CA 3.28Å; I353-L458 HydrophobicContact CB-CB 4.32Å; I353-L458 PolarHBondContact N-O 3.48Å; I353-L458 PolarHBondContact O-N 3.5Å; I353-P460 HydrophobicContact CD1-CG 4.48Å
354S94.8Very high95.2Very high60 Ų6027.8 Ų27.842%0.4216%0.156SC..  trans-127.7-6.2179.859.30000114.1Y429S354-Y429 WeakPolarHBondContact O-CD1 3.49Å; S354-Y429 WeakPolarHBondContact O-CE1 3.2Å
355S95.3Very high95.4Very high64 Ų6425.3 Ų25.345%0.44815%0.153SC..SBendtrans-169.4166.3179.255.10000109.5H358S355-H358 PolarHBondContact O-NE2 3.36Å
356G94.6Very high95.3Very high24 Ų2430.5 Ų30.525%0.24718%0.181CC..SBendtrans77.3-169.3173.100000114.7Y429 E430G356-Y429 VanDerWaalsContact O-CB 3.3Å; G356-Y429 WeakPolarHBondContact O-CB 3.43Å; G356-Y429 PolarHBondContact O-N 2.8Å; G356-E430 VanDerWaalsContact CA-OE2 3.28Å; G356-E430 WeakPolarHBondContact CA-OE2 3.43Å; G356-E430 VanDerWaalsContact N-CD 3.31Å; G356-E430 PolarHBondContact N-OE1 3.06Å; G356-E430 PolarHBondContact N-OE2 2.9Å; G356-E430 VanDerWaalsContact N-OE2 3.08Å
357R95.5Very high95.1Very high64 Ų6430.8 Ų30.824%0.24218%0.182CC..EExtended strand (participates in β ladder)trans-113.1133.8-177.6-65.8171.1-176164.53.9109.8L194 Y301 F426 V427 D428L194-R357 VanDerWaalsContact CD2-NH1 3.35Å; Y301-R357 HydrophobicContact CD1-CB 3.66Å; Y301-R357 HydrophobicContact CD2-CB 4.46Å; Y301-R357 HydrophobicContact CE1-CB 4.11Å; Y301-R357 HydrophobicContact CG-CB 3.86Å; Y301-R357 PolarHBondContact OH-NH1 3.25Å; Y301-R357 VanDerWaalsContact OH-NH1 3.09Å; R357-F426 HydrophobicContact CB-CE2 4.07Å; R357-F426 HydrophobicContact CB-CZ 4.22Å; R357-F426 HydrophobicContact CG-CZ 4.18Å; R357-V427 CarbonylContact C-O 3.54Å; R357-V427 VanDerWaalsContact CA-O 3.25Å; R357-V427 WeakPolarHBondContact CA-O 3.38Å; R357-D428 HydrophobicContact CG-CB 4.13Å; R357-D428 IonicContact CZ-OD2 2.85Å; R357-D428 IonicContact NE-OD2 2.73Å; R357-D428 PolarHBondContact NE-OD2 2.84Å; R357-D428 IonicContact NH2-OD2 3.01Å
358H96.9Very high94.8Very high47 Ų4732.3 Ų32.322%0.21819%0.192CC..EExtended strand (participates in β ladder)trans-137.8133.7-174.6-58-91.4000109.7Y301 A303 I353 S355 W360 F426 V427Y301-H358 CarbonylContact O-C 3.53Å; A303-H358 HydrophobicContact CB-CB 3.98Å; I353-H358 HydrophobicContact CD1-CB 4.21Å; S355-H358 PolarHBondContact O-NE2 3.36Å; H358-W360 HydrophobicContact CB-CZ3 4.18Å; H358-F426 WeakPolarHBondContact O-CA 3.44Å; H358-F426 WeakPolarHBondContact O-CD2 3.44Å; H358-V427 PolarHBondContact N-O 2.79Å; H358-V427 PolarHBondContact O-N 2.78Å
359Y97.7Very high94.5Very high1 Ų134.1 Ų34.10%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-132.2135.7177.5-177.6-109.8000110.9L298 K299 Y301 A302 A303 E361 I425 F426 Y437 L481L298-Y359 HydrophobicContact CB-CD1 4.18Å; L298-Y359 HydrophobicContact CB-CD2 3.85Å; L298-Y359 HydrophobicContact CB-CE1 4.31Å; L298-Y359 HydrophobicContact CB-CE2 3.99Å; L298-Y359 HydrophobicContact CB-CG 3.94Å; L298-Y359 HydrophobicContact CD1-CD2 4.36Å; L298-Y359 HydrophobicContact CD1-CE2 4.01Å; L298-Y359 VanDerWaalsContact O-CB 3.25Å; L298-Y359 WeakPolarHBondContact O-CB 3.38Å; K299-Y359 HydrophobicContact CG-CD1 4.47Å; K299-Y359 HydrophobicContact CG-CE1 4.11Å; Y301-Y359 PolarHBondContact O-N 3.23Å; A302-Y359 CarbonylContact C-O 3.5Å; A302-Y359 WeakPolarHBondContact CA-O 3.44Å; A303-Y359 PolarHBondContact N-O 3.48Å; Y359-E361 HydrophobicContact CE1-CG 3.71Å; Y359-E361 WeakPolarHBondContact OH-CG 3.07Å; Y359-E361 PolarHBondContact OH-OE1 3.06Å; Y359-I425 WeakPolarHBondContact CA-O 3.49Å; Y359-I425 VanDerWaalsContact CD2-O 3.23Å; Y359-I425 WeakPolarHBondContact CD2-O 3.44Å; Y359-F426 HydrophobicContact CD2-CB 4Å; Y359-F426 HydrophobicContact CD2-CD2 4.37Å; Y359-Y437 HydrophobicContact CE2-CD2 4.38Å; Y359-L481 HydrophobicContact CD1-CD1 3.76Å; Y359-L481 HydrophobicContact CE1-CD1 4.09Å
360W97.9Very high94.4Very high2 Ų234.1 Ų34.11%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-146.7154.7170.16499.2000110.8V305 I353 H358 V374 G424 I425 V427 P460 F462V305-W360 HydrophobicContact CG2-CB 3.95Å; V305-W360 HydrophobicContact CG2-CD2 3.85Å; V305-W360 HydrophobicContact CG2-CE3 4.11Å; V305-W360 HydrophobicContact CG2-CG 3.79Å; I353-W360 HydrophobicContact CD1-CH2 4.15Å; I353-W360 HydrophobicContact CD1-CZ3 4.02Å; H358-W360 HydrophobicContact CB-CZ3 4.18Å; W360-V374 HydrophobicContact CH2-CG1 3.53Å; W360-V374 HydrophobicContact CZ2-CG1 3.89Å; W360-G424 WeakPolarHBondContact O-CA 3.4Å; W360-I425 HydrophobicContact CD2-CB 4.17Å; W360-I425 HydrophobicContact CH2-CB 4.27Å; W360-I425 HydrophobicContact CH2-CG2 3.66Å; W360-I425 HydrophobicContact CZ2-CB 3.78Å; W360-I425 HydrophobicContact CZ2-CG1 4.48Å; W360-I425 HydrophobicContact CZ2-CG2 3.45Å; W360-I425 VanDerWaalsContact CZ2-CG2 3.45Å; W360-I425 HydrophobicContact CZ3-CG2 4.32Å; W360-I425 PolarHBondContact N-O 2.81Å; W360-I425 PolarHBondContact O-N 2.86Å; W360-V427 HydrophobicContact CH2-CG2 3.73Å; W360-V427 HydrophobicContact CZ3-CG2 3.89Å; W360-P460 HydrophobicContact CH2-CG 4.34Å; W360-P460 HydrophobicContact CZ2-CB 3.96Å; W360-P460 HydrophobicContact CZ2-CG 4.2Å; W360-F462 AromaticContact NE1-CZ 4Å
361E98Very high94.5Very high2 Ų231.7 Ų31.71%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-112.7142.9176.5-63.7-178.1-175.800110.3R295 Y359 R422 V423 V439 C479 L481R295-E361 IonicContact CZ-OE1 3.74Å; R295-E361 IonicContact NE-OE1 2.64Å; R295-E361 PolarHBondContact NE-OE1 3.4Å; R295-E361 IonicContact NH2-OE1 3.7Å; R295-E361 PolarHBondContact NH2-OE1 3.37Å; R295-E361 IonicContact NH2-OE2 2.92Å; R295-E361 PolarHBondContact NH2-OE2 3.01Å; Y359-E361 HydrophobicContact CE1-CG 3.71Å; Y359-E361 WeakPolarHBondContact OH-CG 3.07Å; Y359-E361 PolarHBondContact OH-OE1 3.06Å; E361-R422 HydrophobicContact CB-CG 4.15Å; E361-R422 WeakPolarHBondContact OE2-CD 3.24Å; E361-R422 IonicContact OE2-NH1 2.81Å; E361-V423 CarbonylContact C-O 3.58Å; E361-V423 WeakPolarHBondContact CA-O 3.37Å; E361-V439 HydrophobicContact CG-CG2 4Å; E361-C479 HydrophobicContact CB-CB 4.13Å; E361-C479 PolarHBondContact O-N 2.74Å; E361-L481 HydrophobicContact CB-CD2 4.14Å; E361-L481 HydrophobicContact CG-CD2 3.84Å
362V98.1Very high94.8Very high0 Ų028.4 Ų28.40%017%0.168CC..EExtended strand (participates in β ladder)trans-126.1123.1178.8-171.90000109.3V364 L372 R422 V423 I425 F462 L476 A477V362-V364 PolarHBondContact O-N 3.39Å; V362-L372 HydrophobicContact CB-CD1 3.97Å; V362-L372 HydrophobicContact CB-CD2 4.26Å; V362-L372 HydrophobicContact CG1-CD1 4.18Å; V362-L372 HydrophobicContact CG1-CD2 3.88Å; V362-L372 HydrophobicContact CG2-CD1 4.47Å; V362-L372 HydrophobicContact CG2-CD2 4.29Å; V362-R422 WeakPolarHBondContact O-CA 3.23Å; V362-V423 PolarHBondContact N-O 2.8Å; V362-V423 PolarHBondContact O-N 2.82Å; V362-I425 HydrophobicContact CB-CD1 4.5Å; V362-I425 HydrophobicContact CG2-CD1 3.75Å; V362-F462 HydrophobicContact CG2-CD1 4.35Å; V362-F462 HydrophobicContact CG2-CE1 3.71Å; V362-L476 HydrophobicContact CG1-CB 4.39Å; V362-A477 CarbonylContact C-O 3.58Å; V362-A477 WeakPolarHBondContact CA-O 3.16Å
363E97.6Very high95Very high55 Ų5525.9 Ų25.926%0.25715%0.151SC..EExtended strand (participates in β ladder)trans-74.4121.1169.9-167.469.6-147.500108.8R421 R422 A477E363-R421 VanDerWaalsContact OE1-O 3.14Å; E363-R422 IonicContact OE2-CZ 3.14Å; E363-R422 VanDerWaalsContact OE2-CZ 3.27Å; E363-R422 IonicContact OE2-NE 2.66Å; E363-R422 PolarHBondContact OE2-NE 2.81Å; E363-R422 IonicContact OE2-NH2 3.53Å; E363-R422 PolarHBondContact OE2-NH2 2.83Å; E363-A477 HydrophobicContact CB-CB 4.23Å; E363-A477 PolarHBondContact N-O 3.47Å; E363-A477 PolarHBondContact O-N 3.04Å; E363-A477 VanDerWaalsContact O-N 3.14Å
364V95.4Very high95.1Very high2 Ų225.6 Ų25.61%0.01215%0.15CC..  trans-109.3-17.4176.5-60.20000112.1V362 R367 W370 L372 P420 R421 V423 L476V362-V364 PolarHBondContact O-N 3.39Å; V364-R367 VanDerWaalsContact O-CB 3.26Å; V364-R367 WeakPolarHBondContact O-CB 3.47Å; V364-R367 WeakPolarHBondContact O-CD 3.05Å; V364-R367 WeakPolarHBondContact O-CG 3.33Å; V364-R367 PolarHBondContact O-N 3.26Å; V364-W370 HydrophobicContact CB-CD2 4.44Å; V364-W370 HydrophobicContact CB-CG 4.38Å; V364-W370 HydrophobicContact CG1-CD2 4.01Å; V364-W370 HydrophobicContact CG1-CG 4.21Å; V364-W370 HydrophobicContact CG1-CZ2 4.39Å; V364-W370 HydrophobicContact CG2-CZ2 4.21Å; V364-L372 HydrophobicContact CG1-CD1 3.6Å; V364-P420 WeakPolarHBondContact CG2-O 3.31Å; V364-R421 VanDerWaalsContact CG2-C 3.48Å; V364-R421 VanDerWaalsContact CG2-O 3.24Å; V364-R421 WeakPolarHBondContact CG2-O 3.44Å; V364-R421 PolarHBondContact N-O 2.81Å; V364-V423 HydrophobicContact CG1-CG2 4.34Å; V364-V423 HydrophobicContact CG2-CG2 4.36Å; V364-L476 HydrophobicContact CB-CD2 4.29Å; V364-L476 HydrophobicContact CG1-CD2 3.9Å
365G91.4Very high95.1Very high21 Ų2122.8 Ų22.822%0.21613%0.13CC..THydrogen-bonded Turntrans57-144.517800000113.4R367 R421G365-R367 PolarHBondContact O-N 2.75Å; G365-R421 PolarHBondContact N-O 3.42Å
366D89.7Confident95.1Very high116 Ų11622.1 Ų22.162%0.6212%0.119SC*.THydrogen-bonded Turntrans-89.924.3179.9-67.4-53.1000113.3R421D366-R421 VanDerWaalsContact CG-CZ 3.5Å; D366-R421 VanDerWaalsContact CG-NH2 3.29Å; D366-R421 IonicContact OD1-CZ 4Å; D366-R421 IonicContact OD1-NE 2.96Å; D366-R421 IonicContact OD1-NH1 3.56Å; D366-R421 PolarHBondContact OD1-NH1 3.21Å; D366-R421 IonicContact OD1-NH2 2.76Å; D366-R421 PolarHBondContact OD1-NH2 3.01Å; D366-R421 IonicContact OD2-CZ 3.68Å; D366-R421 VanDerWaalsContact OD2-CZ 3.27Å; D366-R421 IonicContact OD2-NH1 3.55Å; D366-R421 PolarHBondContact OD2-NH1 3Å; D366-R421 IonicContact OD2-NH2 3.95Å; D366-R421 PolarHBondContact OD2-NH2 3.13Å; D366-R421 VanDerWaalsContact OD2-NH2 3.14Å
367R89.3Confident95.1Very high7 Ų724 Ų243%0.02612%0.121CC..  trans-63.2140.1-178.7-75.3-175.381.4116.730.3111.5V364 G365 E369 L398 P464 N472 A474V364-R367 VanDerWaalsContact O-CB 3.26Å; V364-R367 WeakPolarHBondContact O-CB 3.47Å; V364-R367 WeakPolarHBondContact O-CD 3.05Å; V364-R367 WeakPolarHBondContact O-CG 3.33Å; V364-R367 PolarHBondContact O-N 3.26Å; G365-R367 PolarHBondContact O-N 2.75Å; R367-E369 PolarHBondContact NE-O 2.85Å; R367-L398 WeakPolarHBondContact O-CD2 3.4Å; R367-P464 VanDerWaalsContact NH1-CB 3.35Å; R367-P464 PolarHBondContact NH2-O 3.41Å; R367-N472 WeakPolarHBondContact CA-OD1 3.26Å; R367-N472 WeakPolarHBondContact CB-OD1 3.4Å; R367-N472 WeakPolarHBondContact CG-OD1 3.29Å; R367-N472 PolarHBondContact NE-OD1 2.81Å; R367-N472 PolarHBondContact NH2-ND2 2.83Å; R367-N472 PolarHBondContact NH2-O 2.79Å; R367-N472 PolarHBondContact NH2-OD1 3.06Å; R367-A474 PolarHBondContact NH1-O 3.36Å
368S89.1Confident94.8Very high31 Ų3126.3 Ų26.322%0.21714%0.139CC..SBendtrans-88.2-15.6177.459.70000114.1R399 K400 G401 N472S368-R399 CarbonylContact O-C 3.58Å; S368-K400 PolarHBondContact O-N 2.98Å; S368-G401 PolarHBondContact O-N 3.1Å; S368-N472 PolarHBondContact N-OD1 2.77Å
369E91.9Very high94.5Very high39 Ų3924.8 Ų24.818%0.18213%0.133CC..  trans-147.7137176.4-53.8-167.9168.800111.9R367 L398 C465 N472R367-E369 PolarHBondContact NE-O 2.85Å; E369-L398 VanDerWaalsContact CA-O 3.29Å; E369-L398 WeakPolarHBondContact CA-O 3.44Å; E369-C465 HydrophobicContact CB-CB 3.52Å; E369-N472 PolarHBondContact O-ND2 3.05Å; E369-N472 VanDerWaalsContact O-ND2 3.11Å; E369-N472 PolarHBondContact O-OD1 2.9Å
370W94.6Very high94.1Very high1 Ų129.1 Ų29.10%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-167166.2171.648.2-99.6000110.9V364 L372 I396 R397 L398 Y404 P420 V423 S463 C465 L476V364-W370 HydrophobicContact CB-CD2 4.44Å; V364-W370 HydrophobicContact CB-CG 4.38Å; V364-W370 HydrophobicContact CG1-CD2 4.01Å; V364-W370 HydrophobicContact CG1-CG 4.21Å; V364-W370 HydrophobicContact CG1-CZ2 4.39Å; V364-W370 HydrophobicContact CG2-CZ2 4.21Å; W370-L372 HydrophobicContact CE3-CB 4.37Å; W370-L372 HydrophobicContact CE3-CD1 3.99Å; W370-L372 HydrophobicContact CE3-CG 3.79Å; W370-L372 HydrophobicContact CZ3-CB 4.3Å; W370-L372 HydrophobicContact CZ3-CD1 3.98Å; W370-L372 HydrophobicContact CZ3-CG 4.07Å; W370-I396 HydrophobicContact CH2-CD1 4.15Å; W370-I396 HydrophobicContact CZ3-CD1 4.11Å; W370-I396 HydrophobicContact CZ3-CG1 4.06Å; W370-R397 CarbonylContact O-C 3.53Å; W370-R397 WeakPolarHBondContact O-CA 3.27Å; W370-R397 WeakPolarHBondContact O-CB 3.36Å; W370-L398 HydrophobicContact CD2-CB 3.83Å; W370-L398 VanDerWaalsContact CE2-CB 3.48Å; W370-L398 HydrophobicContact CE3-CB 4.45Å; W370-L398 HydrophobicContact CG-CB 4.15Å; W370-L398 HydrophobicContact CH2-CB 4.47Å; W370-L398 HydrophobicContact CZ2-CB 3.86Å; W370-L398 HydrophobicContact CZ2-CD2 4.38Å; W370-L398 PolarHBondContact N-O 3.2Å; W370-L398 PolarHBondContact O-N 3.01Å; W370-Y404 HydrophobicContact CH2-CD1 4.34Å; W370-Y404 HydrophobicContact CH2-CE1 4.38Å; W370-Y404 HydrophobicContact CZ2-CD1 4.2Å; W370-Y404 AromaticContact CZ2-CE1 3.81Å; W370-Y404 HydrophobicContact CZ2-CE1 3.81Å; W370-P420 HydrophobicContact CZ2-CG 4.18Å; W370-V423 HydrophobicContact CH2-CG2 3.85Å; W370-V423 HydrophobicContact CZ2-CG2 4.19Å; W370-S463 CarbonylContact C-O 3.48Å; W370-S463 VanDerWaalsContact CA-O 3.27Å; W370-S463 WeakPolarHBondContact CA-O 3.31Å; W370-C465 VanDerWaalsContact CA-SG 3.6Å; W370-L476 HydrophobicContact CB-CD2 4.08Å
371G96.1Very high93.6Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-138133.5169.800000111.4I396 S463G371-I396 WeakPolarHBondContact CA-O 3.36Å; G371-S463 PolarHBondContact N-O 3.49Å; G371-S463 PolarHBondContact O-N 3.06Å
372L98.2Very high92.7Very high1 Ų135.3 Ų35.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-135.9144.5-177.3-64.2177.8000111.1V362 V364 W370 V395 I396 V423 F436 F462 L476V362-L372 HydrophobicContact CB-CD1 3.97Å; V362-L372 HydrophobicContact CB-CD2 4.26Å; V362-L372 HydrophobicContact CG1-CD1 4.18Å; V362-L372 HydrophobicContact CG1-CD2 3.88Å; V362-L372 HydrophobicContact CG2-CD1 4.47Å; V362-L372 HydrophobicContact CG2-CD2 4.29Å; V364-L372 HydrophobicContact CG1-CD1 3.6Å; W370-L372 HydrophobicContact CE3-CB 4.37Å; W370-L372 HydrophobicContact CE3-CD1 3.99Å; W370-L372 HydrophobicContact CE3-CG 3.79Å; W370-L372 HydrophobicContact CZ3-CB 4.3Å; W370-L372 HydrophobicContact CZ3-CD1 3.98Å; W370-L372 HydrophobicContact CZ3-CG 4.07Å; L372-V395 CarbonylContact O-C 3.47Å; L372-V395 VanDerWaalsContact O-CA 3.31Å; L372-V395 WeakPolarHBondContact O-CA 3.34Å; L372-V395 WeakPolarHBondContact O-CG1 3.41Å; L372-I396 PolarHBondContact N-O 2.88Å; L372-I396 PolarHBondContact O-N 2.78Å; L372-V423 HydrophobicContact CD1-CB 3.81Å; L372-V423 HydrophobicContact CD1-CG1 4.14Å; L372-V423 HydrophobicContact CD1-CG2 4.12Å; L372-F436 WeakPolarHBondContact O-CE1 3.37Å; L372-F462 HydrophobicContact CD2-CD1 3.8Å; L372-L476 HydrophobicContact CD2-CD1 4.14Å
373G97.6Very high91.9Very high1 Ų140 Ų401%0.0120%0.204CC..EExtended strand (participates in β ladder)trans159.3-138172.300000113.1W394 Y461G373-W394 WeakPolarHBondContact CA-O 3.28Å; G373-Y461 PolarHBondContact N-O 3.46Å; G373-Y461 VanDerWaalsContact N-O 3.13Å; G373-Y461 PolarHBondContact O-N 3.09Å
374V97.1Very high91.1Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-136.3157.1174.8-62.90000111.2W360 W394 V427 I434 L458 L459W360-V374 HydrophobicContact CH2-CG1 3.53Å; W360-V374 HydrophobicContact CZ2-CG1 3.89Å; V374-W394 HydrophobicContact CG2-CB 3.95Å; V374-W394 HydrophobicContact CG2-CE3 4.21Å; V374-W394 PolarHBondContact N-O 3.08Å; V374-W394 PolarHBondContact O-N 2.77Å; V374-V427 HydrophobicContact CG1-CG2 3.93Å; V374-I434 HydrophobicContact CG2-CD1 3.47Å; V374-I434 VanDerWaalsContact CG2-CD1 3.47Å; V374-I434 HydrophobicContact CG2-CG1 4.19Å; V374-I434 HydrophobicContact CG2-CG2 4.19Å; V374-L458 HydrophobicContact CG2-CD1 4.25Å; V374-L459 CarbonylContact C-O 3.58Å; V374-L459 VanDerWaalsContact CA-O 3.24Å; V374-L459 WeakPolarHBondContact CA-O 3.31Å; V374-L459 WeakPolarHBondContact CB-O 3.21Å
375C95.6Very high90.5Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-136.6164170.774.90000111.7L348 V379 G392 F393 L458 L459 Y461L348-C375 VanDerWaalsContact CD2-SG 3.53Å; C375-V379 HydrophobicContact CB-CG1 4.21Å; C375-G392 CarbonylContact C-O 3.57Å; C375-G392 WeakPolarHBondContact CA-O 3.41Å; C375-G392 WeakPolarHBondContact CB-O 3.43Å; C375-F393 HydrophobicContact CB-CD1 3.31Å; C375-F393 HydrophobicContact CB-CE1 3.51Å; C375-F393 HydrophobicContact CB-CG 4.11Å; C375-F393 HydrophobicContact CB-CZ 4.44Å; C375-L458 CarbonylContact O-C 3.57Å; C375-L458 VanDerWaalsContact O-CA 3.26Å; C375-L458 WeakPolarHBondContact O-CA 3.35Å; C375-L459 PolarHBondContact N-O 3.39Å; C375-L459 PolarHBondContact O-N 3.45Å; C375-Y461 HydrophobicContact CB-CD2 4.37Å
376K95.1Very high90.3Very high51 Ų5146.3 Ų46.322%0.22223%0.228CC..EExtended strand (participates in β ladder)trans-63.9145.2171.7-163-177.2-178.3-177.20109.9N378 V379 G392 P455K376-N378 VanDerWaalsContact C-N 3.25Å; K376-N378 WeakPolarHBondContact CD-OD1 3.32Å; K376-N378 WeakPolarHBondContact CE-OD1 3.24Å; K376-N378 VanDerWaalsContact CG-OD1 3.23Å; K376-N378 WeakPolarHBondContact CG-OD1 3.47Å; K376-N378 PolarHBondContact O-N 3.49Å; K376-V379 HydrophobicContact CB-CG1 3.96Å; K376-V379 WeakPolarHBondContact O-CG1 3.35Å; K376-V379 PolarHBondContact O-N 3.36Å; K376-G392 PolarHBondContact N-O 3.02Å; K376-P455 HydrophobicContact CD-CG 4.08Å; K376-P455 WeakPolarHBondContact CE-O 3.49Å; K376-P455 PolarHBondContact NZ-O 2.92Å
377Q93.4Very high90.3Very high62 Ų6241.2 Ų41.229%0.2920%0.201SC..THydrogen-bonded Turntrans-58.5-37.1-178.8-179.4177.427.600113.3R381 R457 L459Q377-R381 PolarHBondContact O-NH2 2.92Å; Q377-R457 HydrophobicContact CB-CB 4.49Å; Q377-R457 PolarHBondContact N-O 2.99Å; Q377-R457 VanDerWaalsContact OE1-CZ 3.26Å; Q377-L459 HydrophobicContact CB-CD1 4.23Å; Q377-L459 HydrophobicContact CB-CG 4.33Å; Q377-L459 HydrophobicContact CG-CD1 4Å; Q377-L459 HydrophobicContact CG-CG 4.46Å
378N90.2Very high90.4Very high114 Ų11441.1 Ų41.161%0.6120%0.202SC*.THydrogen-bonded Turntrans-104.334.3-17469.9-26.1000113.3K376K376-N378 VanDerWaalsContact C-N 3.25Å; K376-N378 WeakPolarHBondContact CD-OD1 3.32Å; K376-N378 WeakPolarHBondContact CE-OD1 3.24Å; K376-N378 VanDerWaalsContact CG-OD1 3.23Å; K376-N378 WeakPolarHBondContact CG-OD1 3.47Å; K376-N378 PolarHBondContact O-N 3.49Å
379V91.3Very high90.5Very high15 Ų1541.1 Ų41.19%0.09120%0.201CC..  trans-62.1150.7169.5-70.30000111.2F341 C375 K376 R381 F393F341-V379 HydrophobicContact CZ-CG2 3.94Å; C375-V379 HydrophobicContact CB-CG1 4.21Å; K376-V379 HydrophobicContact CB-CG1 3.96Å; K376-V379 WeakPolarHBondContact O-CG1 3.35Å; K376-V379 PolarHBondContact O-N 3.36Å; V379-R381 WeakPolarHBondContact O-CG 3.42Å; V379-R381 PolarHBondContact O-N 2.9Å; V379-F393 HydrophobicContact CB-CE1 4.39Å; V379-F393 HydrophobicContact CB-CE2 3.97Å; V379-F393 HydrophobicContact CB-CZ 3.61Å; V379-F393 HydrophobicContact CG1-CD2 4.27Å; V379-F393 HydrophobicContact CG1-CE1 4.13Å; V379-F393 HydrophobicContact CG1-CE2 3.64Å; V379-F393 HydrophobicContact CG1-CZ 3.57Å; V379-F393 HydrophobicContact CG2-CE1 4.22Å; V379-F393 HydrophobicContact CG2-CZ 3.81Å
380D87.6Confident90.4Very high92 Ų9246.1 Ų46.149%0.49222%0.224SC..  trans-65131.3171.5-167.4-29.7000110K382 E383D380-K382 PolarHBondContact OD1-N 2.89Å; D380-E383 PolarHBondContact OD1-N 3.46Å
381R87.8Confident90.2Very high18 Ų1851.5 Ų51.57%0.06825%0.245CC..SBendtrans-110.7-8.9-175.9-48-166.9-173.417611113.1E339 F341 Y342 Q377 V379E339-R381 VanDerWaalsContact C-NH1 3.31Å; E339-R381 WeakPolarHBondContact O-CD 3.44Å; E339-R381 PolarHBondContact O-NH1 2.98Å; E339-R381 IonicContact OE2-CZ 2.94Å; E339-R381 IonicContact OE2-NH1 3.53Å; E339-R381 PolarHBondContact OE2-NH1 3.44Å; E339-R381 IonicContact OE2-NH2 2.78Å; E339-R381 PolarHBondContact OE2-NH2 2.84Å; F341-R381 WeakPolarHBondContact CA-O 3.38Å; F341-R381 HydrophobicContact CD1-CB 4.07Å; F341-R381 HydrophobicContact CD1-CG 4.47Å; F341-R381 HydrophobicContact CE1-CB 4.13Å; F341-R381 HydrophobicContact CE1-CG 4.08Å; F341-R381 HydrophobicContact CE2-CG 4.26Å; F341-R381 HydrophobicContact CG-CB 4.36Å; F341-R381 HydrophobicContact CZ-CB 4.45Å; F341-R381 HydrophobicContact CZ-CG 3.97Å; Y342-R381 PolarHBondContact N-O 2.79Å; Y342-R381 VanDerWaalsContact N-O 3.11Å; Q377-R381 PolarHBondContact O-NH2 2.92Å; V379-R381 WeakPolarHBondContact O-CG 3.42Å; V379-R381 PolarHBondContact O-N 2.9Å
382K80.7Confident90Very high116 Ų11651.8 Ų51.850%0.50425%0.248SC..SBendtrans-107.2-36.3-173-64.4-172.9177.3-173.30112.4R343 D380R343-K382 PolarHBondContact NE-O 3.21Å; D380-K382 PolarHBondContact OD1-N 2.89Å
383E81.1Confident89.8Confident97 Ų9752 Ų5245%0.45325%0.248SC..SBendtrans-91.1-174.4-178.5-70.6-55.4145.500114.1R343 D380 V385R343-E383 IonicContact CZ-OE2 2.85Å; R343-E383 IonicContact NH1-OE2 3.01Å; R343-E383 PolarHBondContact NH1-OE2 2.9Å; R343-E383 IonicContact NH2-OE1 3.27Å; R343-E383 IonicContact NH2-OE2 2.98Å; R343-E383 PolarHBondContact NH2-OE2 2.92Å; D380-E383 PolarHBondContact OD1-N 3.46Å; E383-V385 PolarHBondContact O-N 3.27Å
384V80.8Confident89.8Confident66 Ų6652.3 Ų52.340%0.425%0.249SC..PPolyproline II helixtrans-61.4125.6176.9178.20000109.7Y344 Y386Y344-V384 WeakPolarHBondContact OH-CA 3.3Å; Y344-V384 WeakPolarHBondContact OH-CG1 3.28Å; V384-Y386 HydrophobicContact CB-CE2 4.19Å; V384-Y386 HydrophobicContact CG1-CD2 4.34Å; V384-Y386 HydrophobicContact CG1-CE1 4.2Å; V384-Y386 HydrophobicContact CG1-CE2 3.73Å
385V81.7Confident89.7Confident16 Ų1652.3 Ų52.310%0.09725%0.249CC..PPolyproline II helixtrans-96.9116.7-179174.60000109.3F341 Y344 I346 E383 L387 F393F341-V385 HydrophobicContact CE1-CG2 4.33Å; Y344-V385 HydrophobicContact CD2-CB 3.67Å; Y344-V385 HydrophobicContact CD2-CG2 3.46Å; Y344-V385 VanDerWaalsContact CD2-CG2 3.46Å; Y344-V385 HydrophobicContact CE2-CB 3.55Å; Y344-V385 HydrophobicContact CE2-CG2 3.59Å; Y344-V385 HydrophobicContact CG-CB 4.33Å; Y344-V385 HydrophobicContact CG-CG2 4.4Å; Y344-V385 PolarHBondContact OH-N 3.36Å; I346-V385 HydrophobicContact CD1-CG1 4.44Å; E383-V385 PolarHBondContact O-N 3.27Å; V385-L387 HydrophobicContact CG1-CD2 3.4Å; V385-L387 VanDerWaalsContact CG1-CD2 3.4Å; V385-L387 HydrophobicContact CG1-CG 4.38Å; V385-F393 HydrophobicContact CG1-CD2 4.41Å; V385-F393 HydrophobicContact CG1-CE1 4.13Å; V385-F393 HydrophobicContact CG1-CE2 3.75Å; V385-F393 HydrophobicContact CG1-CZ 3.57Å
386Y86.6Confident89.8Confident129 Ų12952.5 Ų52.551%0.50625%0.25SS..PPolyproline II helixtrans-97.4120.1169.5-61.2-82.8000108.2V384 S388 Y391 F393V384-Y386 HydrophobicContact CB-CE2 4.19Å; V384-Y386 HydrophobicContact CG1-CD2 4.34Å; V384-Y386 HydrophobicContact CG1-CE1 4.2Å; V384-Y386 HydrophobicContact CG1-CE2 3.73Å; Y386-S388 PolarHBondContact O-N 2.8Å; Y386-Y391 HydrophobicContact CD2-CD1 4.36Å; Y386-Y391 HydrophobicContact CD2-CE1 4.02Å; Y386-Y391 HydrophobicContact CD2-CE2 4.36Å; Y386-Y391 HydrophobicContact CG-CD2 4.29Å; Y386-Y391 HydrophobicContact CG-CE1 4.49Å; Y386-Y391 HydrophobicContact CG-CE2 4.02Å; Y386-Y391 VanDerWaalsContact O-CB 3.27Å; Y386-Y391 WeakPolarHBondContact O-CB 3.47Å; Y386-F393 VanDerWaalsContact O-CD2 3.32Å; Y386-F393 WeakPolarHBondContact O-CD2 3.48Å
387L90.1Very high89.8Confident10 Ų1052 Ų525%0.05225%0.247CC..  trans-89.489176.9-49.5-174.1000109.7V385 F393 V395 R397 G407 Y461V385-L387 HydrophobicContact CG1-CD2 3.4Å; V385-L387 VanDerWaalsContact CG1-CD2 3.4Å; V385-L387 HydrophobicContact CG1-CG 4.38Å; L387-F393 HydrophobicContact CB-CB 4.04Å; L387-F393 HydrophobicContact CB-CG 4.49Å; L387-F393 HydrophobicContact CD2-CB 3.85Å; L387-F393 HydrophobicContact CD2-CD1 3.34Å; L387-F393 HydrophobicContact CD2-CD2 3.94Å; L387-F393 HydrophobicContact CD2-CE1 3.78Å; L387-F393 HydrophobicContact CD2-CE2 4.32Å; L387-F393 HydrophobicContact CD2-CG 3.43Å; L387-F393 VanDerWaalsContact CD2-CG 3.43Å; L387-F393 HydrophobicContact CD2-CZ 4.24Å; L387-V395 HydrophobicContact CD1-CB 3.95Å; L387-V395 HydrophobicContact CD1-CG1 3.71Å; L387-V395 HydrophobicContact CD1-CG2 4.26Å; L387-R397 HydrophobicContact CD1-CG 4.47Å; L387-G407 CarbonylContact O-C 3.55Å; L387-G407 VanDerWaalsContact O-C 3.32Å; L387-G407 WeakPolarHBondContact O-CA 3.45Å; L387-Y461 HydrophobicContact CD1-CE1 4.35Å; L387-Y461 WeakPolarHBondContact CD1-OH 3.32Å; L387-Y461 HydrophobicContact CD2-CE2 4.22Å
388S91.4Very high89.8Confident5 Ų549.2 Ų49.24%0.03523%0.234CC..SBendtrans-144.6161.9162.183.20000111.5Y386 H390 Y391 G392 F393 G407 D409Y386-S388 PolarHBondContact O-N 2.8Å; S388-H390 PolarHBondContact O-N 3.09Å; S388-H390 VanDerWaalsContact O-N 3.17Å; S388-Y391 CarbonylContact O-C 3.41Å; S388-Y391 PolarHBondContact O-N 2.81Å; S388-Y391 WeakPolarHBondContact OG-CD2 3.44Å; S388-G392 PolarHBondContact O-N 2.92Å; S388-F393 CarbonylContact C-O 3.49Å; S388-F393 PolarHBondContact O-N 2.78Å; S388-G407 VanDerWaalsContact CA-O 3.28Å; S388-G407 WeakPolarHBondContact CA-O 3.35Å; S388-D409 WeakPolarHBondContact CB-OD1 3.27Å; S388-D409 PolarHBondContact OG-OD1 3.43Å
389P91.6Very high89.8Confident30 Ų3048.9 Ų48.920%0.19522%0.224CC..G310 helixtrans-55.7-31.9178.1-30.537.1000112.9Y391 G392 F393 W394 G407 F449P389-Y391 PolarHBondContact O-N 3.06Å; P389-G392 PolarHBondContact O-N 2.95Å; P389-F393 WeakPolarHBondContact CA-O 3.11Å; P389-F393 WeakPolarHBondContact CD-O 3.16Å; P389-W394 HydrophobicContact CB-CZ2 4.3Å; P389-W394 HydrophobicContact CG-CG 4.48Å; P389-G407 VanDerWaalsContact CD-O 3.28Å; P389-G407 WeakPolarHBondContact CD-O 3.01Å; P389-F449 HydrophobicContact CG-CD1 3.77Å; P389-F449 HydrophobicContact CG-CE1 4.04Å
390H89.6Confident89.6Confident144 Ų14455.1 Ų55.167%0.66725%0.25SS*.G310 helixtrans-57-37.7175.5-175.377.1000112.3S388S388-H390 PolarHBondContact O-N 3.09Å; S388-H390 VanDerWaalsContact O-N 3.17Å
391Y90.4Very high89.6Confident115 Ų11552.4 Ų52.445%0.45124%0.244SC..G310 helixtrans-94.17.9177.4-62-79.8000113.1Y386 S388 P389 F393Y386-Y391 HydrophobicContact CD2-CD1 4.36Å; Y386-Y391 HydrophobicContact CD2-CE1 4.02Å; Y386-Y391 HydrophobicContact CD2-CE2 4.36Å; Y386-Y391 HydrophobicContact CG-CD2 4.29Å; Y386-Y391 HydrophobicContact CG-CE1 4.49Å; Y386-Y391 HydrophobicContact CG-CE2 4.02Å; Y386-Y391 VanDerWaalsContact O-CB 3.27Å; Y386-Y391 WeakPolarHBondContact O-CB 3.47Å; S388-Y391 CarbonylContact O-C 3.41Å; S388-Y391 PolarHBondContact O-N 2.81Å; S388-Y391 WeakPolarHBondContact OG-CD2 3.44Å; P389-Y391 PolarHBondContact O-N 3.06Å; Y391-F393 VanDerWaalsContact O-CD2 3.3Å; Y391-F393 WeakPolarHBondContact O-CD2 3.27Å; Y391-F393 WeakPolarHBondContact O-CE2 3.27Å
392G92.7Very high89.6Confident5 Ų557.2 Ų57.25%0.05227%0.271CS..THydrogen-bonded Turntrans80.729.1178.200000114.4C375 K376 S388 P389 W394C375-G392 CarbonylContact C-O 3.57Å; C375-G392 WeakPolarHBondContact CA-O 3.41Å; C375-G392 WeakPolarHBondContact CB-O 3.43Å; K376-G392 PolarHBondContact N-O 3.02Å; S388-G392 PolarHBondContact O-N 2.92Å; P389-G392 PolarHBondContact O-N 2.95Å; G392-W394 VanDerWaalsContact C-CZ3 3.47Å; G392-W394 WeakPolarHBondContact O-CZ3 3.21Å
393F94.3Very high90.1Very high5 Ų553.9 Ų53.92%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-124.8130.6176.7-65.7-89.1000111.7C375 V379 V385 Y386 L387 S388 P389 Y391 V395 Y461C375-F393 HydrophobicContact CB-CD1 3.31Å; C375-F393 HydrophobicContact CB-CE1 3.51Å; C375-F393 HydrophobicContact CB-CG 4.11Å; C375-F393 HydrophobicContact CB-CZ 4.44Å; V379-F393 HydrophobicContact CB-CE1 4.39Å; V379-F393 HydrophobicContact CB-CE2 3.97Å; V379-F393 HydrophobicContact CB-CZ 3.61Å; V379-F393 HydrophobicContact CG1-CD2 4.27Å; V379-F393 HydrophobicContact CG1-CE1 4.13Å; V379-F393 HydrophobicContact CG1-CE2 3.64Å; V379-F393 HydrophobicContact CG1-CZ 3.57Å; V379-F393 HydrophobicContact CG2-CE1 4.22Å; V379-F393 HydrophobicContact CG2-CZ 3.81Å; V385-F393 HydrophobicContact CG1-CD2 4.41Å; V385-F393 HydrophobicContact CG1-CE1 4.13Å; V385-F393 HydrophobicContact CG1-CE2 3.75Å; V385-F393 HydrophobicContact CG1-CZ 3.57Å; Y386-F393 VanDerWaalsContact O-CD2 3.32Å; Y386-F393 WeakPolarHBondContact O-CD2 3.48Å; L387-F393 HydrophobicContact CB-CB 4.04Å; L387-F393 HydrophobicContact CB-CG 4.49Å; L387-F393 HydrophobicContact CD2-CB 3.85Å; L387-F393 HydrophobicContact CD2-CD1 3.34Å; L387-F393 HydrophobicContact CD2-CD2 3.94Å; L387-F393 HydrophobicContact CD2-CE1 3.78Å; L387-F393 HydrophobicContact CD2-CE2 4.32Å; L387-F393 HydrophobicContact CD2-CG 3.43Å; L387-F393 VanDerWaalsContact CD2-CG 3.43Å; L387-F393 HydrophobicContact CD2-CZ 4.24Å; S388-F393 CarbonylContact C-O 3.49Å; S388-F393 PolarHBondContact O-N 2.78Å; P389-F393 WeakPolarHBondContact CA-O 3.11Å; P389-F393 WeakPolarHBondContact CD-O 3.16Å; Y391-F393 VanDerWaalsContact O-CD2 3.3Å; Y391-F393 WeakPolarHBondContact O-CD2 3.27Å; Y391-F393 WeakPolarHBondContact O-CE2 3.27Å; F393-V395 HydrophobicContact CB-CG2 4.34Å; F393-Y461 HydrophobicContact CD1-CD2 4.06Å; F393-Y461 HydrophobicContact CD1-CE2 4.02Å; F393-Y461 HydrophobicContact CE1-CD2 4.08Å; F393-Y461 AromaticContact CE1-CE2 3.91Å; F393-Y461 HydrophobicContact CE1-CE2 3.91Å
394W96.3Very high90.7Very high8 Ų850.1 Ų50.13%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-122.685.2174.1-62.3-99.8000107.7G373 V374 P389 G392 I434 F449 F454 P455 L458G373-W394 WeakPolarHBondContact CA-O 3.28Å; V374-W394 HydrophobicContact CG2-CB 3.95Å; V374-W394 HydrophobicContact CG2-CE3 4.21Å; V374-W394 PolarHBondContact N-O 3.08Å; V374-W394 PolarHBondContact O-N 2.77Å; P389-W394 HydrophobicContact CB-CZ2 4.3Å; P389-W394 HydrophobicContact CG-CG 4.48Å; G392-W394 VanDerWaalsContact C-CZ3 3.47Å; G392-W394 WeakPolarHBondContact O-CZ3 3.21Å; W394-I434 HydrophobicContact CB-CD1 3.61Å; W394-I434 HydrophobicContact CB-CG2 4.27Å; W394-I434 HydrophobicContact CD2-CD1 3.69Å; W394-I434 HydrophobicContact CE3-CD1 4.28Å; W394-I434 HydrophobicContact CG-CD1 3.37Å; W394-F449 HydrophobicContact CB-CD1 4.36Å; W394-F449 HydrophobicContact CB-CD2 3.89Å; W394-F449 HydrophobicContact CB-CE1 4.35Å; W394-F449 HydrophobicContact CB-CE2 3.88Å; W394-F449 HydrophobicContact CB-CG 4.14Å; W394-F449 HydrophobicContact CB-CZ 4.13Å; W394-F449 AromaticContact CD1-CD1 3.63Å; W394-F449 AromaticContact CD1-CG 3.54Å; W394-F449 HydrophobicContact CG-CD1 4.35Å; W394-F449 HydrophobicContact CG-CD2 4.46Å; W394-F449 HydrophobicContact CG-CG 4.25Å; W394-F454 HydrophobicContact CH2-CD1 4.36Å; W394-F454 HydrophobicContact CZ2-CD1 4.07Å; W394-F454 HydrophobicContact CZ2-CE1 4.41Å; W394-P455 HydrophobicContact CH2-CG 4.36Å; W394-L458 HydrophobicContact CE3-CD2 4.17Å; W394-L458 HydrophobicContact CH2-CD2 4.09Å; W394-L458 HydrophobicContact CZ3-CD2 3.53Å
395V96.6Very high91.2Very high0 Ų050.4 Ų50.40%023%0.233CC..EExtended strand (participates in β ladder)trans-131.4135.1-167.5174.60000110.4L372 L387 F393 R397 G407 F449 Y461L372-V395 CarbonylContact O-C 3.47Å; L372-V395 VanDerWaalsContact O-CA 3.31Å; L372-V395 WeakPolarHBondContact O-CA 3.34Å; L372-V395 WeakPolarHBondContact O-CG1 3.41Å; L387-V395 HydrophobicContact CD1-CB 3.95Å; L387-V395 HydrophobicContact CD1-CG1 3.71Å; L387-V395 HydrophobicContact CD1-CG2 4.26Å; F393-V395 HydrophobicContact CB-CG2 4.34Å; V395-R397 HydrophobicContact CG1-CG 3.91Å; V395-G407 WeakPolarHBondContact O-CA 3.3Å; V395-G407 PolarHBondContact O-N 2.62Å; V395-F449 VanDerWaalsContact N-CZ 3.3Å; V395-Y461 HydrophobicContact CB-CD1 4.39Å; V395-Y461 HydrophobicContact CB-CE1 4.43Å; V395-Y461 HydrophobicContact CG1-CD1 3.9Å; V395-Y461 HydrophobicContact CG1-CE1 3.67Å; V395-Y461 HydrophobicContact CG2-CD1 3.51Å; V395-Y461 HydrophobicContact CG2-CD2 4.22Å; V395-Y461 HydrophobicContact CG2-CE1 3.84Å; V395-Y461 HydrophobicContact CG2-CE2 4.46Å; V395-Y461 HydrophobicContact CG2-CG 3.74Å
396I96.9Very high91.8Very high4 Ų449.7 Ų49.72%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-98.5148.6163.161.8165.4000109.7W370 G371 L372 R405 A406 L414 V423 F436 I446 F447W370-I396 HydrophobicContact CH2-CD1 4.15Å; W370-I396 HydrophobicContact CZ3-CD1 4.11Å; W370-I396 HydrophobicContact CZ3-CG1 4.06Å; G371-I396 WeakPolarHBondContact CA-O 3.36Å; L372-I396 PolarHBondContact N-O 2.88Å; L372-I396 PolarHBondContact O-N 2.78Å; I396-R405 CarbonylContact C-O 3.54Å; I396-R405 VanDerWaalsContact CA-O 3.3Å; I396-R405 WeakPolarHBondContact CA-O 3.36Å; I396-A406 HydrophobicContact CG2-CB 4.3Å; I396-L414 HydrophobicContact CG2-CD1 4.14Å; I396-V423 HydrophobicContact CD1-CG1 4.13Å; I396-F436 HydrophobicContact CD1-CB 3.88Å; I396-F436 HydrophobicContact CD1-CD1 3.51Å; I396-F436 HydrophobicContact CD1-CE1 4.25Å; I396-F436 HydrophobicContact CD1-CG 3.8Å; I396-F436 HydrophobicContact CG1-CD1 3.54Å; I396-F436 HydrophobicContact CG1-CE1 3.76Å; I396-F436 HydrophobicContact CG1-CG 4.04Å; I396-F436 HydrophobicContact CG1-CZ 4.46Å; I396-F436 HydrophobicContact CG2-CD1 4.3Å; I396-F436 HydrophobicContact CG2-CD2 3.97Å; I396-F436 HydrophobicContact CG2-CE1 4.48Å; I396-F436 HydrophobicContact CG2-CE2 4.22Å; I396-F436 HydrophobicContact CG2-CG 4.03Å; I396-F436 HydrophobicContact CG2-CZ 4.44Å; I396-I446 HydrophobicContact CD1-CD1 4.37Å; I396-I446 HydrophobicContact CD1-CG2 4.02Å; I396-F447 HydrophobicContact CG2-CB 4.36Å; I396-F447 HydrophobicContact CG2-CD1 4.46Å
397R94.9Very high92Very high42 Ų4243.5 Ų43.516%0.15821%0.205CC..EExtended strand (participates in β ladder)trans-134.7146.1-179.3-54.5-166.9-125.5-168.85111.9W370 L387 V395 Y404 R405W370-R397 CarbonylContact O-C 3.53Å; W370-R397 WeakPolarHBondContact O-CA 3.27Å; W370-R397 WeakPolarHBondContact O-CB 3.36Å; L387-R397 HydrophobicContact CD1-CG 4.47Å; V395-R397 HydrophobicContact CG1-CG 3.91Å; R397-Y404 CarbonylContact O-C 2.95Å; R397-Y404 WeakPolarHBondContact O-CA 3.42Å; R397-R405 PolarHBondContact N-O 3.48Å; R397-R405 PolarHBondContact O-N 3.5Å
398L94.1Very high92Very high2 Ų244.2 Ų44.21%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-101.7136.2162.9177.557.7000109.2R367 E369 W370 Y404R367-L398 WeakPolarHBondContact O-CD2 3.4Å; E369-L398 VanDerWaalsContact CA-O 3.29Å; E369-L398 WeakPolarHBondContact CA-O 3.44Å; W370-L398 HydrophobicContact CD2-CB 3.83Å; W370-L398 VanDerWaalsContact CE2-CB 3.48Å; W370-L398 HydrophobicContact CE3-CB 4.45Å; W370-L398 HydrophobicContact CG-CB 4.15Å; W370-L398 HydrophobicContact CH2-CB 4.47Å; W370-L398 HydrophobicContact CZ2-CB 3.86Å; W370-L398 HydrophobicContact CZ2-CD2 4.38Å; W370-L398 PolarHBondContact N-O 3.2Å; W370-L398 PolarHBondContact O-N 3.01Å; L398-Y404 HydrophobicContact CB-CD1 4.11Å; L398-Y404 HydrophobicContact CB-CE1 4.03Å; L398-Y404 HydrophobicContact CD1-CD1 3.78Å; L398-Y404 HydrophobicContact CD1-CD2 4.12Å; L398-Y404 HydrophobicContact CD1-CE1 3.52Å; L398-Y404 HydrophobicContact CD1-CE2 3.88Å; L398-Y404 HydrophobicContact CD1-CG 4.06Å; L398-Y404 HydrophobicContact CD2-CE1 3.93Å; L398-Y404 HydrophobicContact CG-CD1 4.41Å; L398-Y404 HydrophobicContact CG-CE1 4.01Å
399R90.1Very high91.5Very high108 Ų10850 Ų5041%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-132.8153168.6-72.7-176168.5175.4-4.2110.8S368 G401 N402 E403S368-R399 CarbonylContact O-C 3.58Å; R399-G401 PolarHBondContact O-N 2.96Å; R399-N402 PolarHBondContact O-N 3.23Å; R399-E403 HydrophobicContact CB-CB 4.44Å; R399-E403 PolarHBondContact N-O 3Å; R399-E403 WeakPolarHBondContact O-CB 3.45Å; R399-E403 PolarHBondContact O-N 3.17Å
400K87Confident91Very high145 Ų14557 Ų5763%0.6327%0.27SS*.THydrogen-bonded Turntrans52.524.3174.7-51.9-177.5-162.4153.20114.8S368 N402 E403S368-K400 PolarHBondContact O-N 2.98Å; K400-N402 VanDerWaalsContact C-N 3.27Å; K400-N402 PolarHBondContact O-N 3.29Å; K400-E403 WeakPolarHBondContact CD-OE1 3.26Å; K400-E403 IonicContact NZ-OE1 2.66Å; K400-E403 PolarHBondContact NZ-OE1 3.09Å; K400-E403 IonicContact NZ-OE2 3.79Å
401G86.9Confident90.6Very high36 Ų3652.8 Ų52.837%0.37125%0.249SC..THydrogen-bonded Turntrans81.3-19.8177.600000116.7S368 R399S368-G401 PolarHBondContact O-N 3.1Å; R399-G401 PolarHBondContact O-N 2.96Å
402N87.6Confident90.3Very high118 Ų11849.4 Ų49.463%0.63124%0.24SC*.THydrogen-bonded Turntrans-144.8-3.2-177.966.3-7.3000115.3R399 K400 Y404R399-N402 PolarHBondContact O-N 3.23Å; K400-N402 VanDerWaalsContact C-N 3.27Å; K400-N402 PolarHBondContact O-N 3.29Å; N402-Y404 WeakPolarHBondContact O-CD2 3.39Å; N402-Y404 PolarHBondContact O-N 2.96Å
403E91.3Very high90Very high47 Ų4754.3 Ų54.322%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-90.389.7178.3-63.9-176-169.200110.4R399 K400 L413R399-E403 HydrophobicContact CB-CB 4.44Å; R399-E403 PolarHBondContact N-O 3Å; R399-E403 WeakPolarHBondContact O-CB 3.45Å; R399-E403 PolarHBondContact O-N 3.17Å; K400-E403 WeakPolarHBondContact CD-OE1 3.26Å; K400-E403 IonicContact NZ-OE1 2.66Å; K400-E403 PolarHBondContact NZ-OE1 3.09Å; K400-E403 IonicContact NZ-OE2 3.79Å; E403-L413 HydrophobicContact CB-CD1 4.31Å
404Y93.2Very high89.7Confident18 Ų1855 Ų557%0.07127%0.269CS..EExtended strand (participates in β ladder)trans-84131172.8-59.2-87.6000110.8W370 R397 L398 N402 L413 L414 L416 P420W370-Y404 HydrophobicContact CH2-CD1 4.34Å; W370-Y404 HydrophobicContact CH2-CE1 4.38Å; W370-Y404 HydrophobicContact CZ2-CD1 4.2Å; W370-Y404 AromaticContact CZ2-CE1 3.81Å; W370-Y404 HydrophobicContact CZ2-CE1 3.81Å; R397-Y404 CarbonylContact O-C 2.95Å; R397-Y404 WeakPolarHBondContact O-CA 3.42Å; L398-Y404 HydrophobicContact CB-CD1 4.11Å; L398-Y404 HydrophobicContact CB-CE1 4.03Å; L398-Y404 HydrophobicContact CD1-CD1 3.78Å; L398-Y404 HydrophobicContact CD1-CD2 4.12Å; L398-Y404 HydrophobicContact CD1-CE1 3.52Å; L398-Y404 HydrophobicContact CD1-CE2 3.88Å; L398-Y404 HydrophobicContact CD1-CG 4.06Å; L398-Y404 HydrophobicContact CD2-CE1 3.93Å; L398-Y404 HydrophobicContact CG-CD1 4.41Å; L398-Y404 HydrophobicContact CG-CE1 4.01Å; N402-Y404 WeakPolarHBondContact O-CD2 3.39Å; N402-Y404 PolarHBondContact O-N 2.96Å; Y404-L413 WeakPolarHBondContact O-CD1 2.96Å; Y404-L414 PolarHBondContact O-N 3.11Å; Y404-L416 HydrophobicContact CD1-CD1 3.74Å; Y404-L416 HydrophobicContact CD2-CB 4.46Å; Y404-L416 HydrophobicContact CD2-CD1 3.91Å; Y404-L416 HydrophobicContact CD2-CG 4.34Å; Y404-L416 HydrophobicContact CE1-CD1 4.15Å; Y404-L416 HydrophobicContact CE2-CD1 4.31Å; Y404-L416 HydrophobicContact CG-CD1 3.62Å; Y404-L416 HydrophobicContact CG-CG 4.36Å; Y404-P420 HydrophobicContact CD1-CG 4.49Å; Y404-P420 HydrophobicContact CE1-CG 3.74Å
405R93Very high89Confident72 Ų7256.7 Ų56.727%0.27228%0.282SS..EExtended strand (participates in β ladder)trans-141.3143.2-179.1-64.1-172.1179.1-121.46.1112.8I396 R397 Y411 P412 L413I396-R405 CarbonylContact C-O 3.54Å; I396-R405 VanDerWaalsContact CA-O 3.3Å; I396-R405 WeakPolarHBondContact CA-O 3.36Å; R397-R405 PolarHBondContact N-O 3.48Å; R397-R405 PolarHBondContact O-N 3.5Å; R405-Y411 HydrophobicContact CB-CD2 4.41Å; R405-Y411 HydrophobicContact CB-CE1 4.29Å; R405-Y411 HydrophobicContact CB-CE2 3.94Å; R405-Y411 VanDerWaalsContact CD-CD1 3.44Å; R405-Y411 VanDerWaalsContact CD-CZ 3.43Å; R405-Y411 HydrophobicContact CG-CE1 4.28Å; R405-Y411 VanDerWaalsContact NH1-CD1 3.35Å; R405-Y411 PolarHBondContact NH1-O 2.87Å; R405-P412 WeakPolarHBondContact CA-O 3.14Å; R405-L413 HydrophobicContact CG-CD1 4.15Å
406A93.5Very high88.5Confident0 Ų058.1 Ų58.10%029%0.289CS..EExtended strand (participates in β ladder)trans-87.2134.8166.700000110.2I396 T408 Y411 P412 L414 F447 F449I396-A406 HydrophobicContact CG2-CB 4.3Å; A406-T408 HydrophobicContact CB-CG2 4.44Å; A406-T408 PolarHBondContact O-N 3.14Å; A406-Y411 VanDerWaalsContact O-CD2 3.28Å; A406-Y411 WeakPolarHBondContact O-CD2 3.36Å; A406-P412 HydrophobicContact CB-CG 4.17Å; A406-P412 PolarHBondContact N-O 3.33Å; A406-L414 HydrophobicContact CB-CD1 4.32Å; A406-L414 HydrophobicContact CB-CD2 4.26Å; A406-F447 HydrophobicContact CB-CD1 3.59Å; A406-F447 HydrophobicContact CB-CD2 4.07Å; A406-F447 HydrophobicContact CB-CE1 3.46Å; A406-F447 VanDerWaalsContact CB-CE1 3.46Å; A406-F447 HydrophobicContact CB-CE2 3.96Å; A406-F447 HydrophobicContact CB-CG 3.9Å; A406-F447 HydrophobicContact CB-CZ 3.66Å; A406-F449 HydrophobicContact CB-CZ 4.48Å
407G91.3Very high87.8Confident0 Ų061.6 Ų61.60%031%0.312CS..  trans-73.774.2174.300000111L387 S388 P389 V395 F449L387-G407 CarbonylContact O-C 3.55Å; L387-G407 VanDerWaalsContact O-C 3.32Å; L387-G407 WeakPolarHBondContact O-CA 3.45Å; S388-G407 VanDerWaalsContact CA-O 3.28Å; S388-G407 WeakPolarHBondContact CA-O 3.35Å; P389-G407 VanDerWaalsContact CD-O 3.28Å; P389-G407 WeakPolarHBondContact CD-O 3.01Å; V395-G407 WeakPolarHBondContact O-CA 3.3Å; V395-G407 PolarHBondContact O-N 2.62Å; G407-F449 WeakPolarHBondContact O-CE1 3.23Å
408T88.7Confident87.5Confident24 Ų2462 Ų6215%0.14732%0.319CS..SBendtrans-113.8171.5165.968.30000109A406 E410 Y411 P412 F447 F449A406-T408 HydrophobicContact CB-CG2 4.44Å; A406-T408 PolarHBondContact O-N 3.14Å; T408-E410 PolarHBondContact O-N 2.95Å; T408-Y411 WeakPolarHBondContact O-CA 3.23Å; T408-Y411 PolarHBondContact O-N 3.34Å; T408-Y411 PolarHBondContact OG1-N 3.38Å; T408-P412 WeakPolarHBondContact OG1-CD 3.21Å; T408-F447 HydrophobicContact CG2-CE1 4.3Å; T408-F447 HydrophobicContact CG2-CZ 4.03Å; T408-F449 HydrophobicContact CG2-CD1 4.07Å; T408-F449 HydrophobicContact CG2-CE1 3.8Å
409D81.7Confident87.5Confident127 Ų12765.9 Ų65.968%0.67935%0.345SS*.THydrogen-bonded Turntrans-63.9-29.6179.2-59.3-26.7000112.1S388S388-D409 WeakPolarHBondContact CB-OD1 3.27Å; S388-D409 PolarHBondContact OG-OD1 3.43Å
410E81.3Confident87.7Confident178 Ų17861 Ų6183%0.83233%0.326SS*.THydrogen-bonded Turntrans-79-19173.5-62.5-177.9177.500113.3T408T408-E410 PolarHBondContact O-N 2.95Å
411Y81.9Confident88.1Confident55 Ų5559.8 Ų59.822%0.21632%0.318CS..  trans49.554.9177.5-156.6-126000114.8R405 A406 T408R405-Y411 HydrophobicContact CB-CD2 4.41Å; R405-Y411 HydrophobicContact CB-CE1 4.29Å; R405-Y411 HydrophobicContact CB-CE2 3.94Å; R405-Y411 VanDerWaalsContact CD-CD1 3.44Å; R405-Y411 VanDerWaalsContact CD-CZ 3.43Å; R405-Y411 HydrophobicContact CG-CE1 4.28Å; R405-Y411 VanDerWaalsContact NH1-CD1 3.35Å; R405-Y411 PolarHBondContact NH1-O 2.87Å; A406-Y411 VanDerWaalsContact O-CD2 3.28Å; A406-Y411 WeakPolarHBondContact O-CD2 3.36Å; T408-Y411 WeakPolarHBondContact O-CA 3.23Å; T408-Y411 PolarHBondContact O-N 3.34Å; T408-Y411 PolarHBondContact OG1-N 3.38Å
412P83.1Confident88.6Confident43 Ų4361.4 Ų61.428%0.27931%0.313SS..PPolyproline II helixtrans-66.4143.8-170.929.3-36.6000111.8R405 A406 T408R405-P412 WeakPolarHBondContact CA-O 3.14Å; A406-P412 HydrophobicContact CB-CG 4.17Å; A406-P412 PolarHBondContact N-O 3.33Å; T408-P412 WeakPolarHBondContact OG1-CD 3.21Å
413L86.4Confident89.1Confident109 Ų10955.8 Ų55.857%0.57128%0.283SS*.BIsolated β-bridgetrans-76.2128168.5-170.573.9000109E403 Y404 R405E403-L413 HydrophobicContact CB-CD1 4.31Å; Y404-L413 WeakPolarHBondContact O-CD1 2.96Å; R405-L413 HydrophobicContact CG-CD1 4.15Å
414L87.5Confident89.4Confident20 Ų2053.6 Ų53.611%0.10527%0.273CS..PPolyproline II helixtrans-94.1117.6178.2-52.7177.1000108.4I396 Y404 A406 L416 I446 F447I396-L414 HydrophobicContact CG2-CD1 4.14Å; Y404-L414 PolarHBondContact O-N 3.11Å; A406-L414 HydrophobicContact CB-CD1 4.32Å; A406-L414 HydrophobicContact CB-CD2 4.26Å; L414-L416 PolarHBondContact O-N 3.48Å; L414-I446 HydrophobicContact CD1-CG2 3.84Å; L414-F447 HydrophobicContact CD1-CB 4.2Å; L414-F447 HydrophobicContact CD2-CB 4.31Å; L414-F447 HydrophobicContact CD2-CD2 3.71Å; L414-F447 HydrophobicContact CD2-CE2 4.39Å; L414-F447 HydrophobicContact CD2-CG 4.22Å
415S82.4Confident89.7Confident43 Ų4352.8 Ų52.830%0.30127%0.269SS..  trans-84.9111.3174.6-177.40000108.9
416L86.3Confident89.9Confident30 Ų3049.3 Ų49.316%0.15726%0.256CS..  trans-118.5108.8-179.9-58.6-178.1000108.6Y404 L414 V418 P420 I446Y404-L416 HydrophobicContact CD1-CD1 3.74Å; Y404-L416 HydrophobicContact CD2-CB 4.46Å; Y404-L416 HydrophobicContact CD2-CD1 3.91Å; Y404-L416 HydrophobicContact CD2-CG 4.34Å; Y404-L416 HydrophobicContact CE1-CD1 4.15Å; Y404-L416 HydrophobicContact CE2-CD1 4.31Å; Y404-L416 HydrophobicContact CG-CD1 3.62Å; Y404-L416 HydrophobicContact CG-CG 4.36Å; L414-L416 PolarHBondContact O-N 3.48Å; L416-V418 PolarHBondContact O-N 3.47Å; L416-P420 HydrophobicContact CD1-CG 4.21Å; L416-I446 HydrophobicContact CD1-CG1 4.42Å; L416-I446 HydrophobicContact CD1-CG2 4.34Å; L416-I446 HydrophobicContact CD2-CB 4.35Å; L416-I446 HydrophobicContact CD2-CG1 4.08Å; L416-I446 HydrophobicContact CD2-CG2 4.14Å
417P81.8Confident90Very high76 Ų7649.3 Ų49.349%0.49426%0.256SS..SBendtrans-60.6-34.3-179.7-24.834.2000113
418V89.6Confident90.2Very high52 Ų5249.7 Ų49.732%0.31526%0.258SS..SBendtrans-113.4119.7178-178.30000108.9L416 P420 N438 T440 D441L416-V418 PolarHBondContact O-N 3.47Å; V418-P420 WeakPolarHBondContact O-CD 3.49Å; V418-N438 PolarHBondContact O-ND2 3.33Å; V418-T440 HydrophobicContact CG1-CG2 4.49Å; V418-D441 HydrophobicContact CB-CB 3.94Å; V418-D441 HydrophobicContact CG1-CB 4.15Å; V418-D441 HydrophobicContact CG2-CB 4.24Å
419P92.6Very high90.5Very high83 Ų8350.4 Ų50.454%0.53926%0.259SS..  trans-61.1124.3174.1-2635.9000111.9R421P419-R421 PolarHBondContact O-N 2.9Å
420P94.9Very high91Very high4 Ų449.6 Ų49.63%0.02625%0.251CS..  trans-69.1125.6177.725.9-34.4000111.2V364 W370 Y404 L416 V418 V423 N438V364-P420 WeakPolarHBondContact CG2-O 3.31Å; W370-P420 HydrophobicContact CZ2-CG 4.18Å; Y404-P420 HydrophobicContact CD1-CG 4.49Å; Y404-P420 HydrophobicContact CE1-CG 3.74Å; L416-P420 HydrophobicContact CD1-CG 4.21Å; V418-P420 WeakPolarHBondContact O-CD 3.49Å; P420-V423 HydrophobicContact CB-CG2 3.86Å; P420-V423 HydrophobicContact CG-CG2 4.22Å; P420-N438 WeakPolarHBondContact CA-OD1 3.43Å; P420-N438 HydrophobicContact CB-CB 4.48Å; P420-N438 WeakPolarHBondContact CB-OD1 3.37Å
421R95.6Very high91.5Very high120 Ų12042.4 Ų42.445%0.45322%0.222SC..SBendtrans-90.2-21.1161.3-65.8-178.1174.7-116.7-4.7111.7E363 V364 G365 D366 P419 T440E363-R421 VanDerWaalsContact OE1-O 3.14Å; V364-R421 VanDerWaalsContact CG2-C 3.48Å; V364-R421 VanDerWaalsContact CG2-O 3.24Å; V364-R421 WeakPolarHBondContact CG2-O 3.44Å; V364-R421 PolarHBondContact N-O 2.81Å; G365-R421 PolarHBondContact N-O 3.42Å; D366-R421 VanDerWaalsContact CG-CZ 3.5Å; D366-R421 VanDerWaalsContact CG-NH2 3.29Å; D366-R421 IonicContact OD1-CZ 4Å; D366-R421 IonicContact OD1-NE 2.96Å; D366-R421 IonicContact OD1-NH1 3.56Å; D366-R421 PolarHBondContact OD1-NH1 3.21Å; D366-R421 IonicContact OD1-NH2 2.76Å; D366-R421 PolarHBondContact OD1-NH2 3.01Å; D366-R421 IonicContact OD2-CZ 3.68Å; D366-R421 VanDerWaalsContact OD2-CZ 3.27Å; D366-R421 IonicContact OD2-NH1 3.55Å; D366-R421 PolarHBondContact OD2-NH1 3Å; D366-R421 IonicContact OD2-NH2 3.95Å; D366-R421 PolarHBondContact OD2-NH2 3.13Å; D366-R421 VanDerWaalsContact OD2-NH2 3.14Å; P419-R421 PolarHBondContact O-N 2.9Å; R421-T440 WeakPolarHBondContact CA-OG1 3.44Å; R421-T440 HydrophobicContact CB-CG2 4.33Å; R421-T440 HydrophobicContact CG-CG2 4.45Å; R421-T440 PolarHBondContact N-OG1 2.76Å
422R97.1Very high92Very high71 Ų7142.5 Ų42.527%0.26822%0.224SC..EExtended strand (participates in β ladder)trans-137134.7174.2-172.2176.3-58171.72.5111E361 V362 E363 V439 T440E361-R422 HydrophobicContact CB-CG 4.15Å; E361-R422 WeakPolarHBondContact OE2-CD 3.24Å; E361-R422 IonicContact OE2-NH1 2.81Å; V362-R422 WeakPolarHBondContact O-CA 3.23Å; E363-R422 IonicContact OE2-CZ 3.14Å; E363-R422 VanDerWaalsContact OE2-CZ 3.27Å; E363-R422 IonicContact OE2-NE 2.66Å; E363-R422 PolarHBondContact OE2-NE 2.81Å; E363-R422 IonicContact OE2-NH2 3.53Å; E363-R422 PolarHBondContact OE2-NH2 2.83Å; R422-V439 HydrophobicContact CB-CB 3.96Å; R422-V439 HydrophobicContact CB-CG1 4.32Å; R422-V439 HydrophobicContact CG-CB 3.91Å; R422-V439 HydrophobicContact CG-CG1 4.12Å; R422-V439 HydrophobicContact CG-CG2 4.28Å; R422-V439 PolarHBondContact O-N 2.63Å; R422-T440 PolarHBondContact N-OG1 2.93Å
423V98.1Very high92.5Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-119.1126.2-178.2179.20000109.5E361 V362 V364 W370 L372 I396 P420 I425 F436 Y437 I446E361-V423 CarbonylContact C-O 3.58Å; E361-V423 WeakPolarHBondContact CA-O 3.37Å; V362-V423 PolarHBondContact N-O 2.8Å; V362-V423 PolarHBondContact O-N 2.82Å; V364-V423 HydrophobicContact CG1-CG2 4.34Å; V364-V423 HydrophobicContact CG2-CG2 4.36Å; W370-V423 HydrophobicContact CH2-CG2 3.85Å; W370-V423 HydrophobicContact CZ2-CG2 4.19Å; L372-V423 HydrophobicContact CD1-CB 3.81Å; L372-V423 HydrophobicContact CD1-CG1 4.14Å; L372-V423 HydrophobicContact CD1-CG2 4.12Å; I396-V423 HydrophobicContact CD1-CG1 4.13Å; P420-V423 HydrophobicContact CB-CG2 3.86Å; P420-V423 HydrophobicContact CG-CG2 4.22Å; V423-I425 HydrophobicContact CG1-CD1 4.23Å; V423-I425 HydrophobicContact CG1-CG1 4.47Å; V423-F436 HydrophobicContact CG1-CD1 4.31Å; V423-Y437 CarbonylContact C-O 3.25Å; V423-Y437 WeakPolarHBondContact CA-O 3.39Å; V423-I446 HydrophobicContact CG1-CD1 4.28Å
424G97.9Very high93Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-91.3136.6170.900000110.6W360 F436 Y437W360-G424 WeakPolarHBondContact O-CA 3.4Å; G424-F436 CarbonylContact O-C 3.46Å; G424-F436 WeakPolarHBondContact O-CA 3.24Å; G424-Y437 PolarHBondContact N-O 3.16Å; G424-Y437 PolarHBondContact O-N 3.02Å
425I98.3Very high93.4Very high1 Ų134.4 Ų34.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-120.3124.9176.6-56.892.3000107.9Y359 W360 V362 V423 F436Y359-I425 WeakPolarHBondContact CA-O 3.49Å; Y359-I425 VanDerWaalsContact CD2-O 3.23Å; Y359-I425 WeakPolarHBondContact CD2-O 3.44Å; W360-I425 HydrophobicContact CD2-CB 4.17Å; W360-I425 HydrophobicContact CH2-CB 4.27Å; W360-I425 HydrophobicContact CH2-CG2 3.66Å; W360-I425 HydrophobicContact CZ2-CB 3.78Å; W360-I425 HydrophobicContact CZ2-CG1 4.48Å; W360-I425 HydrophobicContact CZ2-CG2 3.45Å; W360-I425 VanDerWaalsContact CZ2-CG2 3.45Å; W360-I425 HydrophobicContact CZ3-CG2 4.32Å; W360-I425 PolarHBondContact N-O 2.81Å; W360-I425 PolarHBondContact O-N 2.86Å; V362-I425 HydrophobicContact CB-CD1 4.5Å; V362-I425 HydrophobicContact CG2-CD1 3.75Å; V423-I425 HydrophobicContact CG1-CD1 4.23Å; V423-I425 HydrophobicContact CG1-CG1 4.47Å; I425-F436 HydrophobicContact CG1-CD1 3.82Å; I425-F436 HydrophobicContact CG1-CE1 3.76Å; I425-F436 HydrophobicContact CG2-CE1 4.09Å; I425-F436 HydrophobicContact CG2-CZ 4.42Å
426F97.5Very high94.1Very high0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-119.1134.8177-179.6-115.2000110.6K190 L194 L298 Y301 R357 H358 Y359 D428 I434 S435 Y437K190-F426 HydrophobicContact CD-CD1 4.36Å; K190-F426 HydrophobicContact CD-CE1 4.22Å; L194-F426 HydrophobicContact CD1-CZ 4.32Å; L194-F426 HydrophobicContact CD2-CZ 4.14Å; L298-F426 HydrophobicContact CD2-CB 4.16Å; L298-F426 HydrophobicContact CD2-CD1 3.94Å; L298-F426 HydrophobicContact CD2-CD2 3.47Å; L298-F426 VanDerWaalsContact CD2-CD2 3.47Å; L298-F426 HydrophobicContact CD2-CE1 4.15Å; L298-F426 HydrophobicContact CD2-CE2 3.7Å; L298-F426 HydrophobicContact CD2-CG 3.58Å; L298-F426 HydrophobicContact CD2-CZ 4.04Å; Y301-F426 HydrophobicContact CD2-CE2 4.1Å; Y301-F426 HydrophobicContact CG-CE2 4.47Å; R357-F426 HydrophobicContact CB-CE2 4.07Å; R357-F426 HydrophobicContact CB-CZ 4.22Å; R357-F426 HydrophobicContact CG-CZ 4.18Å; H358-F426 WeakPolarHBondContact O-CA 3.44Å; H358-F426 WeakPolarHBondContact O-CD2 3.44Å; Y359-F426 HydrophobicContact CD2-CB 4Å; Y359-F426 HydrophobicContact CD2-CD2 4.37Å; F426-D428 HydrophobicContact CE1-CB 3.83Å; F426-D428 HydrophobicContact CZ-CB 4.04Å; F426-I434 WeakPolarHBondContact O-CA 3.24Å; F426-S435 PolarHBondContact N-O 2.88Å; F426-S435 PolarHBondContact O-N 2.82Å; F426-Y437 HydrophobicContact CB-CE2 3.74Å
427V96.8Very high94.5Very high0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-124.5121.6174-176.50000108.3I353 R357 H358 W360 V374 D433 I434 L458I353-V427 HydrophobicContact CD1-CG2 4.46Å; I353-V427 HydrophobicContact CG2-CG1 4.3Å; R357-V427 CarbonylContact C-O 3.54Å; R357-V427 VanDerWaalsContact CA-O 3.25Å; R357-V427 WeakPolarHBondContact CA-O 3.38Å; H358-V427 PolarHBondContact N-O 2.79Å; H358-V427 PolarHBondContact O-N 2.78Å; W360-V427 HydrophobicContact CH2-CG2 3.73Å; W360-V427 HydrophobicContact CZ3-CG2 3.89Å; V374-V427 HydrophobicContact CG1-CG2 3.93Å; V427-D433 WeakPolarHBondContact CA-O 3.23Å; V427-I434 HydrophobicContact CG1-CG1 4.4Å; V427-I434 HydrophobicContact CG2-CG1 4.42Å; V427-L458 HydrophobicContact CG1-CD1 4.39Å
428D95.4Very high95.2Very high7 Ų727.6 Ų27.64%0.03714%0.135CC..EExtended strand (participates in β ladder)trans-108.1103163.7-171.6-38.5000107.3R357 F426 E430 A431 H432 D433R357-D428 HydrophobicContact CG-CB 4.13Å; R357-D428 IonicContact CZ-OD2 2.85Å; R357-D428 IonicContact NE-OD2 2.73Å; R357-D428 PolarHBondContact NE-OD2 2.84Å; R357-D428 IonicContact NH2-OD2 3.01Å; F426-D428 HydrophobicContact CE1-CB 3.83Å; F426-D428 HydrophobicContact CZ-CB 4.04Å; D428-E430 PolarHBondContact O-N 3.19Å; D428-E430 PolarHBondContact OD1-N 3.33Å; D428-A431 HydrophobicContact CB-CB 3.96Å; D428-A431 VanDerWaalsContact CG-CB 3.42Å; D428-A431 PolarHBondContact O-N 2.9Å; D428-A431 WeakPolarHBondContact OD1-CB 3.37Å; D428-A431 PolarHBondContact OD1-N 3.28Å; D428-H432 PolarHBondContact O-N 3.43Å; D428-H432 VanDerWaalsContact O-N 3.07Å; D428-D433 HydrophobicContact CB-CB 4.13Å; D428-D433 PolarHBondContact N-O 3.37Å; D428-D433 PolarHBondContact O-N 3.25Å
429Y94.6Very high95.5Very high39 Ų3925.7 Ų25.715%0.15312%0.124CC..THydrogen-bonded Turntrans-64.4-44.3-170.9-166.4-87.5000111.4I353 S354 G356 H432 F454 G456 L458I353-Y429 HydrophobicContact CG2-CD2 4.01Å; S354-Y429 WeakPolarHBondContact O-CD1 3.49Å; S354-Y429 WeakPolarHBondContact O-CE1 3.2Å; G356-Y429 VanDerWaalsContact O-CB 3.3Å; G356-Y429 WeakPolarHBondContact O-CB 3.43Å; G356-Y429 PolarHBondContact O-N 2.8Å; Y429-H432 PolarHBondContact O-N 3.21Å; Y429-H432 PolarHBondContact O-ND1 2.76Å; Y429-F454 HydrophobicContact CD1-CD2 4.42Å; Y429-F454 AromaticContact CD2-CD2 3.68Å; Y429-F454 HydrophobicContact CD2-CD2 3.68Å; Y429-F454 HydrophobicContact CD2-CE2 4.24Å; Y429-F454 HydrophobicContact CE2-CB 4.1Å; Y429-F454 AromaticContact CE2-CD2 3.82Å; Y429-F454 HydrophobicContact CE2-CD2 3.82Å; Y429-F454 HydrophobicContact CE2-CG 4.29Å; Y429-F454 HydrophobicContact CG-CD2 4.02Å; Y429-F454 HydrophobicContact CG-CE2 4.46Å; Y429-F454 WeakPolarHBondContact O-CD2 3.32Å; Y429-F454 WeakPolarHBondContact O-CE2 3.4Å; Y429-G456 PolarHBondContact OH-O 2.94Å; Y429-G456 VanDerWaalsContact OH-O 3.1Å; Y429-L458 HydrophobicContact CD2-CD1 4.42Å; Y429-L458 HydrophobicContact CE2-CD1 4.42Å; Y429-L458 HydrophobicContact CE2-CG 4.34Å
430E92.6Very high95.5Very high110 Ų11024.4 Ų24.451%0.51412%0.115SC..THydrogen-bonded Turntrans-70.3-37.7-179.4-67.776-166.500112.6G356 D428 H432G356-E430 VanDerWaalsContact CA-OE2 3.28Å; G356-E430 WeakPolarHBondContact CA-OE2 3.43Å; G356-E430 VanDerWaalsContact N-CD 3.31Å; G356-E430 PolarHBondContact N-OE1 3.06Å; G356-E430 PolarHBondContact N-OE2 2.9Å; G356-E430 VanDerWaalsContact N-OE2 3.08Å; D428-E430 PolarHBondContact O-N 3.19Å; D428-E430 PolarHBondContact OD1-N 3.33Å; E430-H432 VanDerWaalsContact C-N 3.26Å; E430-H432 PolarHBondContact O-N 3.27Å
431A91.4Very high95.3Very high28 Ų2824.9 Ų24.923%0.23112%0.117CC..THydrogen-bonded Turntrans-82.2-3.2177.500000113.7D428 D433 R451D428-A431 HydrophobicContact CB-CB 3.96Å; D428-A431 VanDerWaalsContact CG-CB 3.42Å; D428-A431 PolarHBondContact O-N 2.9Å; D428-A431 WeakPolarHBondContact OD1-CB 3.37Å; D428-A431 PolarHBondContact OD1-N 3.28Å; A431-D433 HydrophobicContact CB-CB 4.38Å; A431-D433 PolarHBondContact O-N 2.66Å; A431-R451 WeakPolarHBondContact O-CD 3.15Å; A431-R451 WeakPolarHBondContact O-CG 3.46Å
432H92.8Very high95Very high57 Ų5727.8 Ų27.826%0.26413%0.129SC..THydrogen-bonded Turntrans57.834.9-176-53-37.7000113.8D428 Y429 E430 R451 Y452 F454D428-H432 PolarHBondContact O-N 3.43Å; D428-H432 VanDerWaalsContact O-N 3.07Å; Y429-H432 PolarHBondContact O-N 3.21Å; Y429-H432 PolarHBondContact O-ND1 2.76Å; E430-H432 VanDerWaalsContact C-N 3.26Å; E430-H432 PolarHBondContact O-N 3.27Å; H432-R451 HydrophobicContact CB-CB 4.37Å; H432-R451 HydrophobicContact CB-CG 4.32Å; H432-R451 WeakPolarHBondContact O-CG 3.46Å; H432-Y452 WeakPolarHBondContact CB-O 3.44Å; H432-F454 VanDerWaalsContact C-CZ 3.5Å; H432-F454 VanDerWaalsContact CA-CE2 3.49Å; H432-F454 HydrophobicContact CB-CE2 4.33Å; H432-F454 HydrophobicContact CB-CZ 4.32Å; H432-F454 AromaticContact ND1-CD2 3.8Å
433D93.1Very high94.6Very high1 Ų124.8 Ų24.81%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-108.6125.7-172.4-167-22000110.2W186 K190 V427 D428 A431 S435 T448W186-D433 PolarHBondContact NE1-OD2 3.01Å; K190-D433 WeakPolarHBondContact CE-OD2 3.41Å; K190-D433 IonicContact NZ-OD1 3.68Å; K190-D433 IonicContact NZ-OD2 2.77Å; V427-D433 WeakPolarHBondContact CA-O 3.23Å; D428-D433 HydrophobicContact CB-CB 4.13Å; D428-D433 PolarHBondContact N-O 3.37Å; D428-D433 PolarHBondContact O-N 3.25Å; A431-D433 HydrophobicContact CB-CB 4.38Å; A431-D433 PolarHBondContact O-N 2.66Å; D433-S435 PolarHBondContact OD1-OG 2.94Å; D433-T448 WeakPolarHBondContact OD1-CG2 3.43Å
434I95.9Very high94.3Very high1 Ų125.2 Ų25.21%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-126.2115170.1-60.5162.5000107.2V374 W394 F426 V427 F436 T448 F449 F454 L458V374-I434 HydrophobicContact CG2-CD1 3.47Å; V374-I434 VanDerWaalsContact CG2-CD1 3.47Å; V374-I434 HydrophobicContact CG2-CG1 4.19Å; V374-I434 HydrophobicContact CG2-CG2 4.19Å; W394-I434 HydrophobicContact CB-CD1 3.61Å; W394-I434 HydrophobicContact CB-CG2 4.27Å; W394-I434 HydrophobicContact CD2-CD1 3.69Å; W394-I434 HydrophobicContact CE3-CD1 4.28Å; W394-I434 HydrophobicContact CG-CD1 3.37Å; F426-I434 WeakPolarHBondContact O-CA 3.24Å; V427-I434 HydrophobicContact CG1-CG1 4.4Å; V427-I434 HydrophobicContact CG2-CG1 4.42Å; I434-F436 HydrophobicContact CG2-CE2 3.68Å; I434-F436 HydrophobicContact CG2-CZ 4.01Å; I434-T448 WeakPolarHBondContact O-CA 3.36Å; I434-F449 HydrophobicContact CB-CD2 4.4Å; I434-F449 HydrophobicContact CG2-CD2 4.3Å; I434-F449 PolarHBondContact O-N 2.9Å; I434-F454 HydrophobicContact CD1-CD1 4.5Å; I434-F454 HydrophobicContact CD1-CE1 3.47Å; I434-F454 VanDerWaalsContact CD1-CE1 3.47Å; I434-F454 HydrophobicContact CD1-CZ 3.74Å; I434-F454 HydrophobicContact CG1-CE1 4.02Å; I434-F454 HydrophobicContact CG1-CZ 3.76Å; I434-L458 HydrophobicContact CD1-CD1 4.35Å
435S96Very high94.1Very high0 Ų026.1 Ų26.10%013%0.127CC..EExtended strand (participates in β ladder)trans-128.4144.7-171.5-69.20000111.8K190 F426 D433 F447 T448K190-S435 VanDerWaalsContact NZ-CB 3.32Å; K190-S435 PolarHBondContact NZ-OG 3.35Å; F426-S435 PolarHBondContact N-O 2.88Å; F426-S435 PolarHBondContact O-N 2.82Å; D433-S435 PolarHBondContact OD1-OG 2.94Å; S435-F447 CarbonylContact C-O 3.59Å; S435-F447 WeakPolarHBondContact CA-O 3.48Å; S435-T448 VanDerWaalsContact OG-CG2 3.31Å; S435-T448 WeakPolarHBondContact OG-CG2 3.37Å; S435-T448 PolarHBondContact OG-OG1 2.94Å
436F97.4Very high93.9Very high0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-120.3139.8-177.4-63.4-95.9000109.9L372 I396 V423 G424 I425 I434 I446 F447 F449L372-F436 WeakPolarHBondContact O-CE1 3.37Å; I396-F436 HydrophobicContact CD1-CB 3.88Å; I396-F436 HydrophobicContact CD1-CD1 3.51Å; I396-F436 HydrophobicContact CD1-CE1 4.25Å; I396-F436 HydrophobicContact CD1-CG 3.8Å; I396-F436 HydrophobicContact CG1-CD1 3.54Å; I396-F436 HydrophobicContact CG1-CE1 3.76Å; I396-F436 HydrophobicContact CG1-CG 4.04Å; I396-F436 HydrophobicContact CG1-CZ 4.46Å; I396-F436 HydrophobicContact CG2-CD1 4.3Å; I396-F436 HydrophobicContact CG2-CD2 3.97Å; I396-F436 HydrophobicContact CG2-CE1 4.48Å; I396-F436 HydrophobicContact CG2-CE2 4.22Å; I396-F436 HydrophobicContact CG2-CG 4.03Å; I396-F436 HydrophobicContact CG2-CZ 4.44Å; V423-F436 HydrophobicContact CG1-CD1 4.31Å; G424-F436 CarbonylContact O-C 3.46Å; G424-F436 WeakPolarHBondContact O-CA 3.24Å; I425-F436 HydrophobicContact CG1-CD1 3.82Å; I425-F436 HydrophobicContact CG1-CE1 3.76Å; I425-F436 HydrophobicContact CG2-CE1 4.09Å; I425-F436 HydrophobicContact CG2-CZ 4.42Å; I434-F436 HydrophobicContact CG2-CE2 3.68Å; I434-F436 HydrophobicContact CG2-CZ 4.01Å; F436-I446 HydrophobicContact CB-CB 3.99Å; F436-I446 HydrophobicContact CB-CG2 4.27Å; F436-I446 WeakPolarHBondContact O-CB 3.46Å; F436-I446 PolarHBondContact O-N 3.03Å; F436-F447 PolarHBondContact N-O 3.12Å; F436-F447 PolarHBondContact O-N 3.23Å; F436-F449 HydrophobicContact CD2-CD2 4.42Å; F436-F449 HydrophobicContact CD2-CE2 4.24Å; F436-F449 AromaticContact CE2-CD2 3.7Å; F436-F449 HydrophobicContact CE2-CD2 3.7Å; F436-F449 AromaticContact CE2-CE2 3.42Å; F436-F449 HydrophobicContact CE2-CE2 3.42Å; F436-F449 VanDerWaalsContact CE2-CE2 3.42Å; F436-F449 HydrophobicContact CZ-CE2 4.09Å
437Y96.1Very high93.7Very high3 Ų328.1 Ų28.11%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-132.2141.7-176.4-53.7-91.3000111.3E187 K190 L294 L298 Y359 V423 G424 F426 V439 S444E187-Y437 WeakPolarHBondContact OE2-CE1 3.32Å; E187-Y437 PolarHBondContact OE2-OH 2.95Å; K190-Y437 PolarHBondContact NZ-OH 3.33Å; L294-Y437 HydrophobicContact CD2-CE1 3.73Å; L298-Y437 HydrophobicContact CD1-CD1 4.43Å; L298-Y437 HydrophobicContact CD1-CD2 3.93Å; L298-Y437 HydrophobicContact CD1-CE1 4.06Å; L298-Y437 HydrophobicContact CD1-CE2 3.5Å; L298-Y437 VanDerWaalsContact CD1-CE2 3.5Å; L298-Y437 HydrophobicContact CD1-CG 4.36Å; Y359-Y437 HydrophobicContact CE2-CD2 4.38Å; V423-Y437 CarbonylContact C-O 3.25Å; V423-Y437 WeakPolarHBondContact CA-O 3.39Å; G424-Y437 PolarHBondContact N-O 3.16Å; G424-Y437 PolarHBondContact O-N 3.02Å; F426-Y437 HydrophobicContact CB-CE2 3.74Å; Y437-V439 PolarHBondContact O-N 2.97Å; Y437-S444 CarbonylContact C-O 3.56Å; Y437-S444 VanDerWaalsContact CA-O 3.27Å; Y437-S444 WeakPolarHBondContact CA-O 2.99Å
438N95.4Very high93.5Very high3 Ų329.2 Ų29.22%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-86.597172.8-173.3-9.8000108.5V418 P420 T440 D441 G443 S444 I446V418-N438 PolarHBondContact O-ND2 3.33Å; P420-N438 WeakPolarHBondContact CA-OD1 3.43Å; P420-N438 HydrophobicContact CB-CB 4.48Å; P420-N438 WeakPolarHBondContact CB-OD1 3.37Å; N438-T440 PolarHBondContact O-N 3.12Å; N438-T440 WeakPolarHBondContact OD1-CB 3.39Å; N438-T440 PolarHBondContact OD1-N 3.44Å; N438-D441 HydrophobicContact CB-CB 4.29Å; N438-D441 CarbonylContact O-C 3.54Å; N438-D441 PolarHBondContact O-N 2.85Å; N438-D441 PolarHBondContact OD1-N 3.48Å; N438-G443 VanDerWaalsContact O-CA 3.24Å; N438-G443 WeakPolarHBondContact O-CA 3.27Å; N438-G443 PolarHBondContact O-N 2.89Å; N438-S444 PolarHBondContact N-O 3.25Å; N438-S444 PolarHBondContact O-N 2.8Å; N438-I446 HydrophobicContact CB-CD1 3.89Å; N438-I446 HydrophobicContact CB-CG1 3.81Å
439V95Very high93.3Very high12 Ų1229 Ų297%0.07314%0.142CC..G310 helixtrans-69.4-29.7-177.7176.40000111R295 E361 R422 Y437 D441 Y442R295-V439 VanDerWaalsContact NH2-CG1 3.32Å; E361-V439 HydrophobicContact CG-CG2 4Å; R422-V439 HydrophobicContact CB-CB 3.96Å; R422-V439 HydrophobicContact CB-CG1 4.32Å; R422-V439 HydrophobicContact CG-CB 3.91Å; R422-V439 HydrophobicContact CG-CG1 4.12Å; R422-V439 HydrophobicContact CG-CG2 4.28Å; R422-V439 PolarHBondContact O-N 2.63Å; Y437-V439 PolarHBondContact O-N 2.97Å; V439-D441 PolarHBondContact O-N 3.05Å; V439-Y442 PolarHBondContact O-N 3.48Å
440T93.9Very high93Very high56 Ų5630.1 Ų30.134%0.34415%0.154SC..G310 helixtrans-63.3-29.9175.2-51.90000112.1V418 R421 R422 N438V418-T440 HydrophobicContact CG1-CG2 4.49Å; R421-T440 WeakPolarHBondContact CA-OG1 3.44Å; R421-T440 HydrophobicContact CB-CG2 4.33Å; R421-T440 HydrophobicContact CG-CG2 4.45Å; R421-T440 PolarHBondContact N-OG1 2.76Å; R422-T440 PolarHBondContact N-OG1 2.93Å; N438-T440 PolarHBondContact O-N 3.12Å; N438-T440 WeakPolarHBondContact OD1-CB 3.39Å; N438-T440 PolarHBondContact OD1-N 3.44Å
441D91Very high92.7Very high13 Ų1328.9 Ų28.97%0.0715%0.145CC..G310 helixtrans-104.154.7176-176.647.5000111.8R290 V418 N438 V439 G443 S444R290-D441 IonicContact CZ-OD1 2.79Å; R290-D441 PolarHBondContact NH2-O 3.39Å; R290-D441 IonicContact NH2-OD1 2.66Å; R290-D441 PolarHBondContact NH2-OD1 3.15Å; R290-D441 IonicContact NH2-OD2 3.75Å; R290-D441 PolarHBondContact NH2-OD2 2.88Å; V418-D441 HydrophobicContact CB-CB 3.94Å; V418-D441 HydrophobicContact CG1-CB 4.15Å; V418-D441 HydrophobicContact CG2-CB 4.24Å; N438-D441 HydrophobicContact CB-CB 4.29Å; N438-D441 CarbonylContact O-C 3.54Å; N438-D441 PolarHBondContact O-N 2.85Å; N438-D441 PolarHBondContact OD1-N 3.48Å; V439-D441 PolarHBondContact O-N 3.05Å; D441-G443 PolarHBondContact O-N 3.22Å; D441-S444 WeakPolarHBondContact CB-OG 3.37Å; D441-S444 PolarHBondContact O-N 2.92Å; D441-S444 PolarHBondContact O-OG 2.49Å; D441-S444 WeakPolarHBondContact OD2-CB 3.36Å; D441-S444 PolarHBondContact OD2-OG 3.36Å
442Y87.8Confident92.2Very high181 Ų18134.5 Ų34.571%0.7116%0.161SC*.THydrogen-bonded Turntrans53.627.9175-52.4-86.3000114.4V439V439-Y442 PolarHBondContact O-N 3.48Å
443G89.9Confident92Very high9 Ų936.4 Ų36.49%0.09318%0.178CC..THydrogen-bonded Turntrans78.927.2-179.800000114.5N438 D441N438-G443 VanDerWaalsContact O-CA 3.24Å; N438-G443 WeakPolarHBondContact O-CA 3.27Å; N438-G443 PolarHBondContact O-N 2.89Å; D441-G443 PolarHBondContact O-N 3.22Å
444S91.4Very high91.7Very high8 Ų837.3 Ų37.36%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-60146.9172.358.80000111.8Y437 N438 D441Y437-S444 CarbonylContact C-O 3.56Å; Y437-S444 VanDerWaalsContact CA-O 3.27Å; Y437-S444 WeakPolarHBondContact CA-O 2.99Å; N438-S444 PolarHBondContact N-O 3.25Å; N438-S444 PolarHBondContact O-N 2.8Å; D441-S444 WeakPolarHBondContact CB-OG 3.37Å; D441-S444 PolarHBondContact O-N 2.92Å; D441-S444 PolarHBondContact O-OG 2.49Å; D441-S444 WeakPolarHBondContact OD2-CB 3.36Å; D441-S444 PolarHBondContact OD2-OG 3.36Å
445H93.9Very high91.1Very high19 Ų1940.9 Ų40.99%0.08821%0.206CC..EExtended strand (participates in β ladder)trans-71.5132.1179.9172.7-96.5000111E187 C289 F447 T448E187-H445 HydrophobicContact CG-CB 4.01Å; E187-H445 IonicContact OE1-CD2 2.77Å; E187-H445 IonicContact OE1-NE2 3.93Å; E187-H445 IonicContact OE2-CD2 3.23Å; C289-H445 HydrophobicContact CB-CB 3.9Å; C289-H445 WeakPolarHBondContact O-CB 3.48Å; C289-H445 PolarHBondContact O-N 2.96Å; H445-F447 VanDerWaalsContact NE2-C 3.3Å; H445-T448 PolarHBondContact NE2-N 2.82Å; H445-T448 PolarHBondContact NE2-OG1 2.72Å
446I93.3Very high90.8Very high13 Ų1342 Ų427%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-94.9-56.4174.8-67.1172.1000109.7I396 L414 L416 V423 F436 N438I396-I446 HydrophobicContact CD1-CD1 4.37Å; I396-I446 HydrophobicContact CD1-CG2 4.02Å; L414-I446 HydrophobicContact CD1-CG2 3.84Å; L416-I446 HydrophobicContact CD1-CG1 4.42Å; L416-I446 HydrophobicContact CD1-CG2 4.34Å; L416-I446 HydrophobicContact CD2-CB 4.35Å; L416-I446 HydrophobicContact CD2-CG1 4.08Å; L416-I446 HydrophobicContact CD2-CG2 4.14Å; V423-I446 HydrophobicContact CG1-CD1 4.28Å; F436-I446 HydrophobicContact CB-CB 3.99Å; F436-I446 HydrophobicContact CB-CG2 4.27Å; F436-I446 WeakPolarHBondContact O-CB 3.46Å; F436-I446 PolarHBondContact O-N 3.03Å; N438-I446 HydrophobicContact CB-CD1 3.89Å; N438-I446 HydrophobicContact CB-CG1 3.81Å
447F93.1Very high90.7Very high31 Ų3148.4 Ų48.414%0.13624%0.241CC..EExtended strand (participates in β ladder)trans-166.3146-173.2-171.6-106.2000111.2I396 A406 T408 L414 S435 F436 H445 F449I396-F447 HydrophobicContact CG2-CB 4.36Å; I396-F447 HydrophobicContact CG2-CD1 4.46Å; A406-F447 HydrophobicContact CB-CD1 3.59Å; A406-F447 HydrophobicContact CB-CD2 4.07Å; A406-F447 HydrophobicContact CB-CE1 3.46Å; A406-F447 VanDerWaalsContact CB-CE1 3.46Å; A406-F447 HydrophobicContact CB-CE2 3.96Å; A406-F447 HydrophobicContact CB-CG 3.9Å; A406-F447 HydrophobicContact CB-CZ 3.66Å; T408-F447 HydrophobicContact CG2-CE1 4.3Å; T408-F447 HydrophobicContact CG2-CZ 4.03Å; L414-F447 HydrophobicContact CD1-CB 4.2Å; L414-F447 HydrophobicContact CD2-CB 4.31Å; L414-F447 HydrophobicContact CD2-CD2 3.71Å; L414-F447 HydrophobicContact CD2-CE2 4.39Å; L414-F447 HydrophobicContact CD2-CG 4.22Å; S435-F447 CarbonylContact C-O 3.59Å; S435-F447 WeakPolarHBondContact CA-O 3.48Å; F436-F447 PolarHBondContact N-O 3.12Å; F436-F447 PolarHBondContact O-N 3.23Å; H445-F447 VanDerWaalsContact NE2-C 3.3Å; F447-F449 AromaticContact CD1-CD2 3.92Å; F447-F449 HydrophobicContact CD1-CD2 3.92Å; F447-F449 AromaticContact CD1-CE2 3.91Å; F447-F449 HydrophobicContact CD1-CE2 3.91Å; F447-F449 HydrophobicContact CD1-CG 4.31Å; F447-F449 HydrophobicContact CD1-CZ 4.3Å; F447-F449 HydrophobicContact CE1-CB 4.4Å; F447-F449 AromaticContact CE1-CD1 3.82Å; F447-F449 HydrophobicContact CE1-CD1 3.82Å; F447-F449 AromaticContact CE1-CD2 3.83Å; F447-F449 HydrophobicContact CE1-CD2 3.83Å; F447-F449 AromaticContact CE1-CE1 3.95Å; F447-F449 HydrophobicContact CE1-CE1 3.95Å; F447-F449 AromaticContact CE1-CE2 3.95Å; F447-F449 HydrophobicContact CE1-CE2 3.95Å; F447-F449 AromaticContact CE1-CG 3.76Å; F447-F449 HydrophobicContact CE1-CG 3.76Å; F447-F449 HydrophobicContact CE1-CZ 4Å
448T93.1Very high90.7Very high22 Ų2248.2 Ų48.214%0.13524%0.241CC..EExtended strand (participates in β ladder)trans-125.1130.1167.8-63.30000108.9W186 D433 I434 S435 H445W186-T448 HydrophobicContact CH2-CG2 4.46Å; W186-T448 HydrophobicContact CZ2-CG2 3.53Å; D433-T448 WeakPolarHBondContact OD1-CG2 3.43Å; I434-T448 WeakPolarHBondContact O-CA 3.36Å; S435-T448 VanDerWaalsContact OG-CG2 3.31Å; S435-T448 WeakPolarHBondContact OG-CG2 3.37Å; S435-T448 PolarHBondContact OG-OG1 2.94Å; H445-T448 PolarHBondContact NE2-N 2.82Å; H445-T448 PolarHBondContact NE2-OG1 2.72Å
449F92.3Very high90.8Very high2 Ų248.6 Ų48.61%0.00924%0.243CC..  trans-69.2144.2175.6-80.4-90.5000111P389 W394 V395 A406 G407 T408 I434 F436 F447 R451P389-F449 HydrophobicContact CG-CD1 3.77Å; P389-F449 HydrophobicContact CG-CE1 4.04Å; W394-F449 HydrophobicContact CB-CD1 4.36Å; W394-F449 HydrophobicContact CB-CD2 3.89Å; W394-F449 HydrophobicContact CB-CE1 4.35Å; W394-F449 HydrophobicContact CB-CE2 3.88Å; W394-F449 HydrophobicContact CB-CG 4.14Å; W394-F449 HydrophobicContact CB-CZ 4.13Å; W394-F449 AromaticContact CD1-CD1 3.63Å; W394-F449 AromaticContact CD1-CG 3.54Å; W394-F449 HydrophobicContact CG-CD1 4.35Å; W394-F449 HydrophobicContact CG-CD2 4.46Å; W394-F449 HydrophobicContact CG-CG 4.25Å; V395-F449 VanDerWaalsContact N-CZ 3.3Å; A406-F449 HydrophobicContact CB-CZ 4.48Å; G407-F449 WeakPolarHBondContact O-CE1 3.23Å; T408-F449 HydrophobicContact CG2-CD1 4.07Å; T408-F449 HydrophobicContact CG2-CE1 3.8Å; I434-F449 HydrophobicContact CB-CD2 4.4Å; I434-F449 HydrophobicContact CG2-CD2 4.3Å; I434-F449 PolarHBondContact O-N 2.9Å; F436-F449 HydrophobicContact CD2-CD2 4.42Å; F436-F449 HydrophobicContact CD2-CE2 4.24Å; F436-F449 AromaticContact CE2-CD2 3.7Å; F436-F449 HydrophobicContact CE2-CD2 3.7Å; F436-F449 AromaticContact CE2-CE2 3.42Å; F436-F449 HydrophobicContact CE2-CE2 3.42Å; F436-F449 VanDerWaalsContact CE2-CE2 3.42Å; F436-F449 HydrophobicContact CZ-CE2 4.09Å; F447-F449 AromaticContact CD1-CD2 3.92Å; F447-F449 HydrophobicContact CD1-CD2 3.92Å; F447-F449 AromaticContact CD1-CE2 3.91Å; F447-F449 HydrophobicContact CD1-CE2 3.91Å; F447-F449 HydrophobicContact CD1-CG 4.31Å; F447-F449 HydrophobicContact CD1-CZ 4.3Å; F447-F449 HydrophobicContact CE1-CB 4.4Å; F447-F449 AromaticContact CE1-CD1 3.82Å; F447-F449 HydrophobicContact CE1-CD1 3.82Å; F447-F449 AromaticContact CE1-CD2 3.83Å; F447-F449 HydrophobicContact CE1-CD2 3.83Å; F447-F449 AromaticContact CE1-CE1 3.95Å; F447-F449 HydrophobicContact CE1-CE1 3.95Å; F447-F449 AromaticContact CE1-CE2 3.95Å; F447-F449 HydrophobicContact CE1-CE2 3.95Å; F447-F449 AromaticContact CE1-CG 3.76Å; F447-F449 HydrophobicContact CE1-CG 3.76Å; F447-F449 HydrophobicContact CE1-CZ 4Å; F449-R451 PolarHBondContact O-N 3.48Å
450P87.1Confident90.9Very high64 Ų6448.1 Ų48.142%0.41624%0.24SC..  trans-54.5135.4172.6-23.532.7000111.1Y452P450-Y452 HydrophobicContact CB-CD2 4.22Å; P450-Y452 HydrophobicContact CB-CE2 3.62Å; P450-Y452 HydrophobicContact CG-CE2 4.47Å; P450-Y452 WeakPolarHBondContact O-CD2 3.46Å; P450-Y452 PolarHBondContact O-N 3.17Å
451R86.5Confident91.1Very high84 Ų8445.6 Ų45.632%0.31722%0.224SC..  trans-68.2111.3-177.8-85.6169-163.2159.619110.2W186 A431 H432 F449W186-R451 VanDerWaalsContact CE2-CZ 3.45Å; W186-R451 HydrophobicContact CH2-CB 4Å; W186-R451 HydrophobicContact CH2-CG 3.31Å; W186-R451 VanDerWaalsContact CH2-CZ 3.47Å; W186-R451 HydrophobicContact CZ2-CG 3.58Å; W186-R451 HydrophobicContact CZ3-CG 4.41Å; W186-R451 VanDerWaalsContact NE1-NH2 3.12Å; A431-R451 WeakPolarHBondContact O-CD 3.15Å; A431-R451 WeakPolarHBondContact O-CG 3.46Å; H432-R451 HydrophobicContact CB-CB 4.37Å; H432-R451 HydrophobicContact CB-CG 4.32Å; H432-R451 WeakPolarHBondContact O-CG 3.46Å; F449-R451 PolarHBondContact O-N 3.48Å
452Y82.3Confident91.4Very high146 Ų14645.1 Ų45.157%0.57322%0.221SC*.  trans-131.3141.9167.9-62.8-70.6000109.3H432 P450 F454H432-Y452 WeakPolarHBondContact CB-O 3.44Å; P450-Y452 HydrophobicContact CB-CD2 4.22Å; P450-Y452 HydrophobicContact CB-CE2 3.62Å; P450-Y452 HydrophobicContact CG-CE2 4.47Å; P450-Y452 WeakPolarHBondContact O-CD2 3.46Å; P450-Y452 PolarHBondContact O-N 3.17Å; Y452-F454 PolarHBondContact O-N 2.83Å
453P86.9Confident91.8Very high96 Ų9636.9 Ų36.962%0.62319%0.19SC*.  trans-52.5128.9177.3-26.934.9000112.1
454F87.9Confident91.8Very high20 Ų2036.5 Ų36.59%0.08819%0.186CC..  trans-66126.3180-62-48.8000110.4W394 Y429 H432 I434 Y452 G456 L458W394-F454 HydrophobicContact CH2-CD1 4.36Å; W394-F454 HydrophobicContact CZ2-CD1 4.07Å; W394-F454 HydrophobicContact CZ2-CE1 4.41Å; Y429-F454 HydrophobicContact CD1-CD2 4.42Å; Y429-F454 AromaticContact CD2-CD2 3.68Å; Y429-F454 HydrophobicContact CD2-CD2 3.68Å; Y429-F454 HydrophobicContact CD2-CE2 4.24Å; Y429-F454 HydrophobicContact CE2-CB 4.1Å; Y429-F454 AromaticContact CE2-CD2 3.82Å; Y429-F454 HydrophobicContact CE2-CD2 3.82Å; Y429-F454 HydrophobicContact CE2-CG 4.29Å; Y429-F454 HydrophobicContact CG-CD2 4.02Å; Y429-F454 HydrophobicContact CG-CE2 4.46Å; Y429-F454 WeakPolarHBondContact O-CD2 3.32Å; Y429-F454 WeakPolarHBondContact O-CE2 3.4Å; H432-F454 VanDerWaalsContact C-CZ 3.5Å; H432-F454 VanDerWaalsContact CA-CE2 3.49Å; H432-F454 HydrophobicContact CB-CE2 4.33Å; H432-F454 HydrophobicContact CB-CZ 4.32Å; H432-F454 AromaticContact ND1-CD2 3.8Å; I434-F454 HydrophobicContact CD1-CD1 4.5Å; I434-F454 HydrophobicContact CD1-CE1 3.47Å; I434-F454 VanDerWaalsContact CD1-CE1 3.47Å; I434-F454 HydrophobicContact CD1-CZ 3.74Å; I434-F454 HydrophobicContact CG1-CE1 4.02Å; I434-F454 HydrophobicContact CG1-CZ 3.76Å; Y452-F454 PolarHBondContact O-N 2.83Å; F454-G456 PolarHBondContact O-N 2.82Å; F454-L458 HydrophobicContact CD1-CD1 3.96Å; F454-L458 HydrophobicContact CD2-CD1 4.13Å; F454-L458 HydrophobicContact CE1-CD1 4.12Å; F454-L458 HydrophobicContact CE2-CD1 4.25Å; F454-L458 HydrophobicContact CG-CD1 3.99Å; F454-L458 HydrophobicContact CZ-CD1 4.26Å
455P81.9Confident91.6Very high76 Ų7636.9 Ų36.949%0.49419%0.189SC..  trans-78.516-174.933.7-37.8000113K376 W394K376-P455 HydrophobicContact CD-CG 4.08Å; K376-P455 WeakPolarHBondContact CE-O 3.49Å; K376-P455 PolarHBondContact NZ-O 2.92Å; W394-P455 HydrophobicContact CH2-CG 4.36Å
456G90.3Very high90.6Very high24 Ų2441.3 Ų41.325%0.24721%0.205CC..SBendtrans149.9-168-176.700000112.5Y429 F454Y429-G456 PolarHBondContact OH-O 2.94Å; Y429-G456 VanDerWaalsContact OH-O 3.1Å; F454-G456 PolarHBondContact O-N 2.82Å
457R95.3Very high89.2Confident134 Ų13442.7 Ų42.751%0.50622%0.216SC..  trans-70.1145.7-177.6-52.1-174.4-73.2-121.9-3.4112C352 I353 Q377C352-R457 WeakPolarHBondContact SG-CB 3.28Å; C352-R457 VanDerWaalsContact SG-CD 3.57Å; I353-R457 WeakPolarHBondContact O-CA 3.28Å; Q377-R457 HydrophobicContact CB-CB 4.49Å; Q377-R457 PolarHBondContact N-O 2.99Å; Q377-R457 VanDerWaalsContact OE1-CZ 3.26Å
458L96.6Very high87.2Confident0 Ų047.4 Ų47.40%024%0.241CC..EExtended strand (participates in β ladder)trans-109.5151.1-178.1-56.1177.9000110.9I353 V374 C375 W394 V427 Y429 I434 F454I353-L458 HydrophobicContact CB-CB 4.32Å; I353-L458 PolarHBondContact N-O 3.48Å; I353-L458 PolarHBondContact O-N 3.5Å; V374-L458 HydrophobicContact CG2-CD1 4.25Å; C375-L458 CarbonylContact O-C 3.57Å; C375-L458 VanDerWaalsContact O-CA 3.26Å; C375-L458 WeakPolarHBondContact O-CA 3.35Å; W394-L458 HydrophobicContact CE3-CD2 4.17Å; W394-L458 HydrophobicContact CH2-CD2 4.09Å; W394-L458 HydrophobicContact CZ3-CD2 3.53Å; V427-L458 HydrophobicContact CG1-CD1 4.39Å; Y429-L458 HydrophobicContact CD2-CD1 4.42Å; Y429-L458 HydrophobicContact CE2-CD1 4.42Å; Y429-L458 HydrophobicContact CE2-CG 4.34Å; I434-L458 HydrophobicContact CD1-CD1 4.35Å; F454-L458 HydrophobicContact CD1-CD1 3.96Å; F454-L458 HydrophobicContact CD2-CD1 4.13Å; F454-L458 HydrophobicContact CE1-CD1 4.12Å; F454-L458 HydrophobicContact CE2-CD1 4.25Å; F454-L458 HydrophobicContact CG-CD1 3.99Å; F454-L458 HydrophobicContact CZ-CD1 4.26Å
459L97.3Very high85.4Confident11 Ų1148.7 Ų48.76%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-124.7141.7171.4-67.4173.7000109.3L348 C352 V374 C375 Q377L348-L459 HydrophobicContact CB-CB 4.41Å; L348-L459 HydrophobicContact CB-CD1 4.36Å; L348-L459 HydrophobicContact CD1-CB 4.44Å; L348-L459 HydrophobicContact CD1-CD1 3.68Å; C352-L459 HydrophobicContact CB-CD2 4.03Å; V374-L459 CarbonylContact C-O 3.58Å; V374-L459 VanDerWaalsContact CA-O 3.24Å; V374-L459 WeakPolarHBondContact CA-O 3.31Å; V374-L459 WeakPolarHBondContact CB-O 3.21Å; C375-L459 PolarHBondContact N-O 3.39Å; C375-L459 PolarHBondContact O-N 3.45Å; Q377-L459 HydrophobicContact CB-CD1 4.23Å; Q377-L459 HydrophobicContact CB-CG 4.33Å; Q377-L459 HydrophobicContact CG-CD1 4Å; Q377-L459 HydrophobicContact CG-CG 4.46Å
460P97.9Very high83.7Confident1 Ų154.4 Ų54.41%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-54.6140.1167.4-27.137.3000111.4V305 L348 G349 Q351 I353 W360 F462V305-P460 HydrophobicContact CG1-CB 3.82Å; V305-P460 HydrophobicContact CG1-CG 3.75Å; V305-P460 HydrophobicContact CG2-CG 4.25Å; L348-P460 CarbonylContact C-O 3.6Å; L348-P460 VanDerWaalsContact CA-O 3.27Å; L348-P460 WeakPolarHBondContact CA-O 3.37Å; G349-P460 PolarHBondContact N-O 2.82Å; Q351-P460 WeakPolarHBondContact O-CD 3.49Å; I353-P460 HydrophobicContact CD1-CG 4.48Å; W360-P460 HydrophobicContact CH2-CG 4.34Å; W360-P460 HydrophobicContact CZ2-CB 3.96Å; W360-P460 HydrophobicContact CZ2-CG 4.2Å; P460-F462 HydrophobicContact CB-CE2 3.58Å; P460-F462 HydrophobicContact CB-CZ 3.86Å
461Y97.6Very high82.3Confident4 Ų457 Ų572%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-119.8131.4-175.9173.5-79.5000110.2I346 L348 G373 C375 L387 F393 V395I346-Y461 HydrophobicContact CB-CE2 4.34Å; I346-Y461 HydrophobicContact CD1-CE2 3.76Å; I346-Y461 WeakPolarHBondContact CD1-OH 3.15Å; I346-Y461 HydrophobicContact CG1-CE2 3.9Å; I346-Y461 WeakPolarHBondContact CG1-OH 3.49Å; I346-Y461 HydrophobicContact CG2-CD2 3.85Å; I346-Y461 HydrophobicContact CG2-CE2 3.48Å; I346-Y461 VanDerWaalsContact CG2-CE2 3.48Å; L348-Y461 HydrophobicContact CD2-CD2 4.12Å; G373-Y461 PolarHBondContact N-O 3.46Å; G373-Y461 VanDerWaalsContact N-O 3.13Å; G373-Y461 PolarHBondContact O-N 3.09Å; C375-Y461 HydrophobicContact CB-CD2 4.37Å; L387-Y461 HydrophobicContact CD1-CE1 4.35Å; L387-Y461 WeakPolarHBondContact CD1-OH 3.32Å; L387-Y461 HydrophobicContact CD2-CE2 4.22Å; F393-Y461 HydrophobicContact CD1-CD2 4.06Å; F393-Y461 HydrophobicContact CD1-CE2 4.02Å; F393-Y461 HydrophobicContact CE1-CD2 4.08Å; F393-Y461 AromaticContact CE1-CE2 3.91Å; F393-Y461 HydrophobicContact CE1-CE2 3.91Å; V395-Y461 HydrophobicContact CB-CD1 4.39Å; V395-Y461 HydrophobicContact CB-CE1 4.43Å; V395-Y461 HydrophobicContact CG1-CD1 3.9Å; V395-Y461 HydrophobicContact CG1-CE1 3.67Å; V395-Y461 HydrophobicContact CG2-CD1 3.51Å; V395-Y461 HydrophobicContact CG2-CD2 4.22Å; V395-Y461 HydrophobicContact CG2-CE1 3.84Å; V395-Y461 HydrophobicContact CG2-CE2 4.46Å; V395-Y461 HydrophobicContact CG2-CG 3.74Å
462F97.8Very high81.3Confident2 Ų253.1 Ų53.11%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-136135.7176.5-49-93.5000111V305 L307 I346 V347 W360 V362 L372 P460 L476 I478V305-F462 HydrophobicContact CG1-CE2 4.15Å; V305-F462 HydrophobicContact CG1-CZ 3.86Å; L307-F462 HydrophobicContact CD2-CB 4.35Å; L307-F462 HydrophobicContact CD2-CD2 3.38Å; L307-F462 HydrophobicContact CD2-CE2 3.69Å; L307-F462 HydrophobicContact CD2-CG 3.85Å; L307-F462 HydrophobicContact CD2-CZ 4.38Å; I346-F462 WeakPolarHBondContact CA-O 3.09Å; V347-F462 HydrophobicContact CG1-CB 3.96Å; V347-F462 PolarHBondContact N-O 2.99Å; V347-F462 PolarHBondContact O-N 3.17Å; W360-F462 AromaticContact NE1-CZ 4Å; V362-F462 HydrophobicContact CG2-CD1 4.35Å; V362-F462 HydrophobicContact CG2-CE1 3.71Å; L372-F462 HydrophobicContact CD2-CD1 3.8Å; P460-F462 HydrophobicContact CB-CE2 3.58Å; P460-F462 HydrophobicContact CB-CZ 3.86Å; F462-L476 HydrophobicContact CB-CD1 4.44Å; F462-I478 HydrophobicContact CE1-CD1 4.09Å; F462-I478 HydrophobicContact CE1-CG1 3.86Å; F462-I478 HydrophobicContact CE2-CD1 4.27Å; F462-I478 HydrophobicContact CZ-CD1 3.71Å; F462-I478 HydrophobicContact CZ-CG1 3.98Å
463S95.3Very high80.8Confident9 Ų950.2 Ų50.26%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-138.5111.7171.5-174.70000110N345 W370 G371 C465N345-S463 VanDerWaalsContact O-CA 3.28Å; N345-S463 WeakPolarHBondContact O-CA 2.97Å; N345-S463 VanDerWaalsContact O-CB 3.27Å; N345-S463 WeakPolarHBondContact O-CB 3.41Å; N345-S463 PolarHBondContact O-OG 2.74Å; W370-S463 CarbonylContact C-O 3.48Å; W370-S463 VanDerWaalsContact CA-O 3.27Å; W370-S463 WeakPolarHBondContact CA-O 3.31Å; G371-S463 PolarHBondContact N-O 3.49Å; G371-S463 PolarHBondContact O-N 3.06Å; S463-C465 PolarHBondContact O-N 3.11Å; S463-C465 PolarHBondContact OG-N 3.46Å
464P90.8Very high80.8Confident0 Ų048 Ų480%028%0.278CS..  trans-72.6-0.3171.729.8-34.2000112.8L316 V325 R367 N472 L476L316-P464 HydrophobicContact CD1-CG 4.4Å; L316-P464 HydrophobicContact CD2-CG 3.47Å; L316-P464 VanDerWaalsContact CD2-CG 3.47Å; V325-P464 HydrophobicContact CG2-CG 4.32Å; R367-P464 VanDerWaalsContact NH1-CB 3.35Å; R367-P464 PolarHBondContact NH2-O 3.41Å; P464-N472 PolarHBondContact O-ND2 3.4Å; P464-L476 HydrophobicContact CB-CD1 4.16Å; P464-L476 HydrophobicContact CB-CG 4.2Å
465C86.1Confident80.9Confident17 Ų1748.7 Ų48.712%0.11528%0.284CS..  trans52.8-161.3-174.7-65.70000112.4N345 E369 W370 S463N345-C465 VanDerWaalsContact ND2-C 3.35Å; N345-C465 PolarHBondContact ND2-O 2.73Å; E369-C465 HydrophobicContact CB-CB 3.52Å; W370-C465 VanDerWaalsContact CA-SG 3.6Å; S463-C465 PolarHBondContact O-N 3.11Å; S463-C465 PolarHBondContact OG-N 3.46Å
466Y74.2Confident81.6Confident112 Ų11245.2 Ų45.244%0.43926%0.261SS..  trans-87152.1-178.5-68.9-84.3000111.3Y327 N345 I468 N472Y327-Y466 HydrophobicContact CE2-CD1 4.32Å; N345-Y466 WeakPolarHBondContact ND2-CD1 3.33Å; Y466-I468 VanDerWaalsContact C-N 3.32Å; Y466-I468 PolarHBondContact O-N 3Å; Y466-N472 PolarHBondContact O-ND2 2.75Å
467S62.3Low81.9Confident41 Ų4145 Ų4529%0.28726%0.258SS..  trans-86.971.2162.9-173.10000110G469 T473S467-G469 PolarHBondContact O-N 2.66Å; S467-G469 PolarHBondContact OG-O 2.71Å; S467-T473 WeakPolarHBondContact OG-CG2 3.36Å
468I51.9Low82Confident130 Ų13039.2 Ų39.267%0.66724%0.237SC*.  trans-84.191.8171.2-58.1171.1000107.2Y466Y466-I468 VanDerWaalsContact C-N 3.32Å; Y466-I468 PolarHBondContact O-N 3Å
469G55.5Low81.9Confident49 Ų4940.4 Ų40.451%0.50524%0.244SC..SBendtrans99.1172.9-17800000114.3S467 N471S467-G469 PolarHBondContact O-N 2.66Å; S467-G469 PolarHBondContact OG-O 2.71Å; G469-N471 PolarHBondContact O-N 3.4Å; G469-N471 VanDerWaalsContact O-N 3.09Å
470T55.5Low81.4Confident123 Ų12344.3 Ų44.376%0.75527%0.273SS*.THydrogen-bonded Turntrans-64.4-10.4-175.748.60000114.7
471N57.7Low80.8Confident119 Ų11946 Ų4664%0.63628%0.282SS*.THydrogen-bonded Turntrans-99.84.9-164.7-66.78.2000114.5G469G469-N471 PolarHBondContact O-N 3.4Å; G469-N471 VanDerWaalsContact O-N 3.09Å
472N65.9Low79.2Confident1 Ų152.9 Ų52.91%0.00532%0.319CS..SBendtrans-131.329.5-178.8-15233.1000114.2R367 S368 E369 P464 Y466R367-N472 WeakPolarHBondContact CA-OD1 3.26Å; R367-N472 WeakPolarHBondContact CB-OD1 3.4Å; R367-N472 WeakPolarHBondContact CG-OD1 3.29Å; R367-N472 PolarHBondContact NE-OD1 2.81Å; R367-N472 PolarHBondContact NH2-ND2 2.83Å; R367-N472 PolarHBondContact NH2-O 2.79Å; R367-N472 PolarHBondContact NH2-OD1 3.06Å; S368-N472 PolarHBondContact N-OD1 2.77Å; E369-N472 PolarHBondContact O-ND2 3.05Å; E369-N472 VanDerWaalsContact O-ND2 3.11Å; E369-N472 PolarHBondContact O-OD1 2.9Å; P464-N472 PolarHBondContact O-ND2 3.4Å; Y466-N472 PolarHBondContact O-ND2 2.75Å
473T73.3Confident76.9Confident86 Ų8655.9 Ų55.953%0.52835%0.35SS..  trans-89-21.7-178.453.90000113.9S467S467-T473 WeakPolarHBondContact OG-CG2 3.36Å
474A85.2Confident74.2Confident50 Ų5065.1 Ų65.141%0.41339%0.392SS..SBendtrans-58.2143.2176.800000110.7R367R367-A474 PolarHBondContact NH1-O 3.36Å
475P90.8Very high71.7Confident34 Ų3474.1 Ų74.122%0.22144%0.441CS..PPolyproline II helixtrans-73.7151.6177.728.2-32.5000112.2R324 V325 H326R324-P475 HydrophobicContact CB-CB 4.2Å; V325-P475 CarbonylContact O-C 3.42Å; V325-P475 VanDerWaalsContact O-CA 3.23Å; V325-P475 WeakPolarHBondContact O-CA 2.87Å; V325-P475 WeakPolarHBondContact O-CB 3.27Å; H326-P475 HydrophobicContact CB-CB 3.96Å
476L96Very high71Confident2 Ų277 Ų771%0.0146%0.457CS..EExtended strand (participates in β ladder)trans-70.4136.1154.5-64.2180000108R324 V325 V362 V364 W370 L372 F462 P464R324-L476 CarbonylContact C-O 3.52Å; R324-L476 VanDerWaalsContact CA-O 3.23Å; R324-L476 WeakPolarHBondContact CA-O 3.48Å; V325-L476 HydrophobicContact CG1-CB 3.97Å; V325-L476 HydrophobicContact CG1-CD1 4.42Å; V325-L476 PolarHBondContact N-O 2.99Å; V325-L476 PolarHBondContact O-N 3.14Å; V362-L476 HydrophobicContact CG1-CB 4.39Å; V364-L476 HydrophobicContact CB-CD2 4.29Å; V364-L476 HydrophobicContact CG1-CD2 3.9Å; W370-L476 HydrophobicContact CB-CD2 4.08Å; L372-L476 HydrophobicContact CD2-CD1 4.14Å; F462-L476 HydrophobicContact CB-CD1 4.44Å; P464-L476 HydrophobicContact CB-CD1 4.16Å; P464-L476 HydrophobicContact CB-CG 4.2Å
477A97Very high70.8Confident21 Ų2175.2 Ų75.217%0.17446%0.458CS..EExtended strand (participates in β ladder)trans-131.1123.7179.700000111.6K323 R324 V362 E363 C479K323-A477 CarbonylContact O-C 3.5Å; K323-A477 WeakPolarHBondContact O-CA 3.49Å; R324-A477 HydrophobicContact CG-CB 3.95Å; V362-A477 CarbonylContact C-O 3.58Å; V362-A477 WeakPolarHBondContact CA-O 3.16Å; E363-A477 HydrophobicContact CB-CB 4.23Å; E363-A477 PolarHBondContact N-O 3.47Å; E363-A477 PolarHBondContact O-N 3.04Å; E363-A477 VanDerWaalsContact O-N 3.14Å; A477-C479 PolarHBondContact O-N 3.3Å
478I97.3Very high71.3Confident12 Ų1277.1 Ų77.16%0.06247%0.467CS..EExtended strand (participates in β ladder)trans-71.6124.4170.9-59167.4000107.4V305 L307 K323 F462V305-I478 HydrophobicContact CB-CD1 4.29Å; V305-I478 HydrophobicContact CB-CG2 4.33Å; V305-I478 HydrophobicContact CG1-CD1 3.94Å; L307-I478 HydrophobicContact CD2-CD1 4.06Å; L307-I478 HydrophobicContact CG-CD1 3.97Å; K323-I478 HydrophobicContact CB-CB 4.48Å; K323-I478 HydrophobicContact CD-CB 4.04Å; K323-I478 HydrophobicContact CD-CG2 4.16Å; K323-I478 PolarHBondContact O-N 3.24Å; F462-I478 HydrophobicContact CE1-CD1 4.09Å; F462-I478 HydrophobicContact CE1-CG1 3.86Å; F462-I478 HydrophobicContact CE2-CD1 4.27Å; F462-I478 HydrophobicContact CZ-CD1 3.71Å; F462-I478 HydrophobicContact CZ-CG1 3.98Å
479C94.6Very high72.4Confident24 Ų2473.9 Ų73.916%0.16246%0.455CS..PPolyproline II helixtrans-80.4143.7-177.2-60.60000110.9E361 A477E361-C479 HydrophobicContact CB-CB 4.13Å; E361-C479 PolarHBondContact O-N 2.74Å; A477-C479 PolarHBondContact O-N 3.3Å
480S87.6Confident73.5Confident94 Ų9475.5 Ų75.566%0.65745%0.452SS*.PPolyproline II helixtrans-73.9131.9162.2-170.70000108.5D482S480-D482 PolarHBondContact OG-N 2.88Å; S480-D482 PolarHBondContact OG-O 3Å
481L84.4Confident74.7Confident37 Ų3772.3 Ų72.319%0.19443%0.432CS..  trans-98.6-7174.9-61.5177.5000112.1A302 Y359 E361 G483A302-L481 HydrophobicContact CB-CB 3.99Å; A302-L481 HydrophobicContact CB-CD1 3.67Å; A302-L481 HydrophobicContact CB-CG 4.46Å; Y359-L481 HydrophobicContact CD1-CD1 3.76Å; Y359-L481 HydrophobicContact CE1-CD1 4.09Å; E361-L481 HydrophobicContact CB-CD2 4.14Å; E361-L481 HydrophobicContact CG-CD2 3.84Å; L481-G483 PolarHBondContact O-N 3.39Å
482D65.1Low75.9Confident148 Ų14869 Ų6979%0.79142%0.418SS*.SBendtrans-9091172.9-62.8-33.7000108.7S480S480-D482 PolarHBondContact OG-N 2.88Å; S480-D482 PolarHBondContact OG-O 3Å
483G48Very low76.7Confident65 Ų6574.2 Ų74.267%0.6745%0.449SS*.SBendtrans154.2121.9177.200000111.6L481L481-G483 PolarHBondContact O-N 3.39Å
484E39.3Very low76.9Confident202 Ų20273.3 Ų73.394%0.94444%0.443SS*.  trans-50.2136175.1-64.9171.2149.900111.7
485D38.2Very low76.2Confident190 Ų19075.4 Ų75.4100%1.01645%0.446SS*.  trans-68.30157.6-82.6-43.5000109.4

Retrieved 485 of 485 residues in 493 ms (Link to these results)

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