A0A2K5M6M1_CERAT Loading...

THAP domain containing 9

AlphaFold DB , UniProt , Accession A0A2K5M6M1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene THAP9, Length 902 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
1M49.1Very low75.9Confident241 Ų24173.8 Ų73.8100%1.18745%0.445SS*.  0127.40-70.1177.6175.600109.5
2T61.3Low76.4Confident89 Ų8969.3 Ų69.355%0.54642%0.418SS..PPolyproline II helixtrans-78.3133.5174.239.30000110.3T15T2-T15 HydrophobicContact CG2-CG2 3.99Å
3R79.5Confident77Confident115 Ų11575.7 Ų75.743%0.43443%0.43SS..PPolyproline II helixtrans-88136.7-178.2-60.1-177.2-174.1-168.93109.8R13 D14 I60R3-R13 CarbonylContact O-C 3.54Å; R3-R13 WeakPolarHBondContact O-CA 3.47Å; R3-D14 HydrophobicContact CB-CB 4.41Å; R3-D14 PolarHBondContact O-N 3.22Å; R3-I60 HydrophobicContact CB-CD1 3.44Å; R3-I60 VanDerWaalsContact CB-CD1 3.44Å; R3-I60 HydrophobicContact CB-CG1 4.18Å
4S84.9Confident77.5Confident72 Ų7272.6 Ų72.650%0.50341%0.412SS..BIsolated β-bridgetrans-99.7154.2176.950.20000112.3I60S4-I60 VanDerWaalsContact O-CG1 3.27Å; S4-I60 WeakPolarHBondContact O-CG1 3.48Å
5C86.1Confident77.9Confident7 Ų770.9 Ų70.95%0.04740%0.404CS..BIsolated β-bridgetrans-62.1137.7170.3-173.30000110.6C10 T12 C62C5-C10 HydrophobicContact CB-CB 4.14Å; C5-T12 VanDerWaalsContact CB-OG1 3.27Å; C5-T12 WeakPolarHBondContact CB-OG1 3.42Å; C5-T12 PolarHBondContact N-O 3.27Å; C5-C62 HydrophobicContact CB-CB 4.43Å; C5-C62 PolarHBondContact SG-N 2.93Å; C5-C62 VanDerWaalsContact SG-N 3.37Å
6S85.8Confident77.9Confident9 Ų973.1 Ų73.16%0.06342%0.419CS..  trans-86.2-10.5-175.5-54.30000114.2R44 I60S6-R44 PolarHBondContact O-NH1 3.42Å; S6-I60 VanDerWaalsContact CB-O 3.32Å; S6-I60 WeakPolarHBondContact CB-O 3.22Å; S6-I60 PolarHBondContact N-O 3.37Å; S6-I60 PolarHBondContact OG-N 3.34Å; S6-I60 PolarHBondContact OG-O 3.05Å
7A81.8Confident77.8Confident5 Ų575.4 Ų75.44%0.04143%0.428CS..SBendtrans-66.9142179.100000112G9 C10 L61 H65 L90A7-G9 PolarHBondContact O-N 3.29Å; A7-C10 HydrophobicContact CB-CB 3.99Å; A7-C10 PolarHBondContact O-N 3.27Å; A7-L61 HydrophobicContact CB-CD2 3.95Å; A7-H65 VanDerWaalsContact CB-NE2 3.34Å; A7-H65 WeakPolarHBondContact CB-NE2 3.32Å; A7-L90 HydrophobicContact CB-CD2 3.98Å
8V77.6Confident77.9Confident65 Ų6572.3 Ų72.339%0.39441%0.413SS..THydrogen-bonded Turntrans-64.7127.6-178.7-1760000109.8C10 R44V8-C10 VanDerWaalsContact C-N 3.32Å; V8-C10 PolarHBondContact O-N 3.45Å; V8-R44 HydrophobicContact CG2-CB 3.91Å; V8-R44 HydrophobicContact CG2-CG 4.15Å
9G69.8Low78Confident69 Ų6976.5 Ų76.571%0.71142%0.421SS*.THydrogen-bonded Turntrans77.34.5-178.500000115.9A7A7-G9 PolarHBondContact O-N 3.29Å
10C80.3Confident77.7Confident29 Ų2979.5 Ų79.520%0.19643%0.432CS..  trans-92.8116.1178.8-167.20000112.2C5 A7 V8 T12 H65C5-C10 HydrophobicContact CB-CB 4.14Å; A7-C10 HydrophobicContact CB-CB 3.99Å; A7-C10 PolarHBondContact O-N 3.27Å; V8-C10 VanDerWaalsContact C-N 3.32Å; V8-C10 PolarHBondContact O-N 3.45Å; C10-T12 PolarHBondContact SG-OG1 3.19Å; C10-H65 PolarHBondContact SG-NE2 2.97Å
11S78.2Confident77.5Confident111 Ų11185.4 Ų85.478%0.77645%0.448SS*.  trans-87.30.1-178.855.60000114.9
12T82.8Confident78.7Confident19 Ų1976 Ų7612%0.11741%0.413CS..  trans-67.9139-176.761.30000112.3C5 C10 L23 C62 K64C5-T12 VanDerWaalsContact CB-OG1 3.27Å; C5-T12 WeakPolarHBondContact CB-OG1 3.42Å; C5-T12 PolarHBondContact N-O 3.27Å; C10-T12 PolarHBondContact SG-OG1 3.19Å; T12-L23 HydrophobicContact CG2-CD1 4.14Å; T12-C62 PolarHBondContact OG1-SG 2.68Å; T12-C62 VanDerWaalsContact OG1-SG 3.32Å; T12-K64 HydrophobicContact CG2-CD 4.38Å
13R83.7Confident79.7Confident153 Ų15373.2 Ų73.258%0.57740%0.395SS*.BIsolated β-bridgetrans-126.2143.5178.6-60-177.5-177.5-173.7-0.1109.6R3 T15 S18 F25R3-R13 CarbonylContact O-C 3.54Å; R3-R13 WeakPolarHBondContact O-CA 3.47Å; R13-T15 HydrophobicContact CB-CG2 4.24Å; R13-T15 PolarHBondContact O-N 2.79Å; R13-T15 PolarHBondContact O-OG1 3.07Å; R13-S18 WeakPolarHBondContact O-CB 3.49Å; R13-S18 PolarHBondContact O-OG 3.03Å; R13-F25 WeakPolarHBondContact O-CZ 3.41Å
14D83.4Confident79.8Confident32 Ų3268.9 Ų68.917%0.17138%0.382CS..  trans-7197.8175.3-168.512.8000109.4R3 R19 F25 I60R3-D14 HydrophobicContact CB-CB 4.41Å; R3-D14 PolarHBondContact O-N 3.22Å; D14-R19 VanDerWaalsContact CG-NH2 3.26Å; D14-R19 IonicContact OD1-CZ 3.11Å; D14-R19 VanDerWaalsContact OD1-CZ 3.23Å; D14-R19 IonicContact OD1-NE 2.7Å; D14-R19 PolarHBondContact OD1-NE 2.94Å; D14-R19 IonicContact OD1-NH2 2.67Å; D14-R19 PolarHBondContact OD1-NH2 2.97Å; D14-R19 IonicContact OD2-CZ 3.67Å; D14-R19 IonicContact OD2-NH2 2.73Å; D14-R19 PolarHBondContact OD2-NH2 3.33Å; D14-F25 HydrophobicContact CB-CD1 4.29Å; D14-F25 HydrophobicContact CB-CD2 3.97Å; D14-F25 HydrophobicContact CB-CE1 4.39Å; D14-F25 HydrophobicContact CB-CE2 4.11Å; D14-F25 HydrophobicContact CB-CG 4.08Å; D14-F25 HydrophobicContact CB-CZ 4.31Å; D14-F25 WeakPolarHBondContact OD1-CD2 3.44Å; D14-I60 HydrophobicContact CB-CD1 4.16Å
15T83.8Confident79.9Confident48 Ų4867 Ų6729%0.29437%0.365SS..  trans-139.3156.9-178.457.30000109.5T2 R13 L17 S18 R19T2-T15 HydrophobicContact CG2-CG2 3.99Å; R13-T15 HydrophobicContact CB-CG2 4.24Å; R13-T15 PolarHBondContact O-N 2.79Å; R13-T15 PolarHBondContact O-OG1 3.07Å; T15-L17 PolarHBondContact O-N 3.17Å; T15-S18 WeakPolarHBondContact O-CB 3.48Å; T15-S18 PolarHBondContact O-N 3.01Å; T15-S18 WeakPolarHBondContact OG1-CB 3.43Å; T15-S18 PolarHBondContact OG1-N 3.21Å; T15-S18 PolarHBondContact OG1-OG 3.21Å; T15-R19 PolarHBondContact O-N 2.79Å; T15-R19 VanDerWaalsContact O-N 3.14Å
16V77.6Confident79.9Confident106 Ų10668.2 Ų68.264%0.64237%0.37SS*.Hα-helixtrans-54.9-51.8-179.8-174.60000110.8S18 R19 E20V16-S18 PolarHBondContact O-N 3.16Å; V16-S18 VanDerWaalsContact O-N 3.11Å; V16-R19 WeakPolarHBondContact O-CA 3.44Å; V16-R19 PolarHBondContact O-N 3.03Å; V16-E20 HydrophobicContact CG1-CG 4.44Å; V16-E20 WeakPolarHBondContact CG1-OE1 3.49Å; V16-E20 PolarHBondContact O-N 3.38Å
17L77.3Confident79.9Confident111 Ų11173.6 Ų73.658%0.58139%0.394SS*.Hα-helixtrans-52.8-32173.5-65.5168.9000114.6T15 E20 R21T15-L17 PolarHBondContact O-N 3.17Å; L17-E20 WeakPolarHBondContact CA-OE2 3.42Å; L17-R21 WeakPolarHBondContact O-CD 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.18Å; L17-R21 PolarHBondContact O-N 3.23Å
18S78.7Confident80.1Confident21 Ų2174 Ų7415%0.14740%0.395CS..Hα-helixtrans-77-33.3177.4-62.20000112R13 T15 V16 R21 L23R13-S18 WeakPolarHBondContact O-CB 3.49Å; R13-S18 PolarHBondContact O-OG 3.03Å; T15-S18 WeakPolarHBondContact O-CB 3.48Å; T15-S18 PolarHBondContact O-N 3.01Å; T15-S18 WeakPolarHBondContact OG1-CB 3.43Å; T15-S18 PolarHBondContact OG1-N 3.21Å; T15-S18 PolarHBondContact OG1-OG 3.21Å; V16-S18 PolarHBondContact O-N 3.16Å; V16-S18 VanDerWaalsContact O-N 3.11Å; S18-R21 PolarHBondContact O-N 3.39Å; S18-L23 VanDerWaalsContact O-CB 3.24Å; S18-L23 WeakPolarHBondContact O-CB 3.15Å; S18-L23 PolarHBondContact O-N 3.08Å
19R79.4Confident80.4Confident151 Ų15171.9 Ų71.957%0.5738%0.382SS*.Hα-helixtrans-75.1-36.9176.3-64.6-177-179.2-159.70.8111.9D14 T15 V16 R21 G22D14-R19 VanDerWaalsContact CG-NH2 3.26Å; D14-R19 IonicContact OD1-CZ 3.11Å; D14-R19 VanDerWaalsContact OD1-CZ 3.23Å; D14-R19 IonicContact OD1-NE 2.7Å; D14-R19 PolarHBondContact OD1-NE 2.94Å; D14-R19 IonicContact OD1-NH2 2.67Å; D14-R19 PolarHBondContact OD1-NH2 2.97Å; D14-R19 IonicContact OD2-CZ 3.67Å; D14-R19 IonicContact OD2-NH2 2.73Å; D14-R19 PolarHBondContact OD2-NH2 3.33Å; T15-R19 PolarHBondContact O-N 2.79Å; T15-R19 VanDerWaalsContact O-N 3.14Å; V16-R19 WeakPolarHBondContact O-CA 3.44Å; V16-R19 PolarHBondContact O-N 3.03Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-R21 PolarHBondContact O-N 3.14Å; R19-G22 WeakPolarHBondContact O-CA 3.26Å; R19-G22 PolarHBondContact O-N 2.97Å
20E73.3Confident80.8Confident137 Ų13775.5 Ų75.564%0.6439%0.391SS*.Hα-helixtrans-60.5-36.8170.2-70.9166.8172.700111.6V16 L17 G22V16-E20 HydrophobicContact CG1-CG 4.44Å; V16-E20 WeakPolarHBondContact CG1-OE1 3.49Å; V16-E20 PolarHBondContact O-N 3.38Å; L17-E20 WeakPolarHBondContact CA-OE2 3.42Å; E20-G22 PolarHBondContact O-N 3.42Å; E20-G22 VanDerWaalsContact O-N 3.09Å
21R73.6Confident80.9Confident203 Ų20377.7 Ų77.777%0.76640%0.401SS*.THydrogen-bonded Turntrans-75.118.3169.8-66.4170.9-174.4-162.90.3114L17 S18 R19 L23L17-R21 WeakPolarHBondContact O-CD 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.18Å; L17-R21 PolarHBondContact O-N 3.23Å; S18-R21 PolarHBondContact O-N 3.39Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-R21 PolarHBondContact O-N 3.14Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 3.48Å
22G74.6Confident81.1Confident45 Ų4577.6 Ų77.646%0.46440%0.396SS..THydrogen-bonded Turntrans74.78.5174.300000116.4R19 E20R19-G22 WeakPolarHBondContact O-CA 3.26Å; R19-G22 PolarHBondContact O-N 2.97Å; E20-G22 PolarHBondContact O-N 3.42Å; E20-G22 VanDerWaalsContact O-N 3.09Å
23L80.8Confident80.9Confident29 Ų2981.8 Ų81.815%0.15242%0.416CS..  trans-84.1121.7-179-57177000111.8T12 S18 R21 F25 K64T12-L23 HydrophobicContact CG2-CD1 4.14Å; S18-L23 VanDerWaalsContact O-CB 3.24Å; S18-L23 WeakPolarHBondContact O-CB 3.15Å; S18-L23 PolarHBondContact O-N 3.08Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 3.48Å; L23-F25 HydrophobicContact CB-CE2 4.23Å; L23-F25 HydrophobicContact CB-CZ 4.4Å; L23-K64 HydrophobicContact CD2-CD 4.39Å; L23-K64 HydrophobicContact CD2-CG 3.86Å
24S83.1Confident80.7Confident25 Ų2576.2 Ų76.218%0.17540%0.397CS..  trans-95.5151.3168.655.80000110.7H26 C62 S63S24-H26 WeakPolarHBondContact CB-NE2 3.26Å; S24-H26 PolarHBondContact OG-NE2 3.1Å; S24-C62 CarbonylContact O-C 3.43Å; S24-C62 WeakPolarHBondContact O-CA 3.15Å; S24-S63 PolarHBondContact N-OG 3.23Å; S24-S63 VanDerWaalsContact N-OG 3.16Å; S24-S63 PolarHBondContact O-N 3.13Å; S24-S63 PolarHBondContact O-OG 3.47Å; S24-S63 WeakPolarHBondContact OG-CB 3.48Å
25F85.9Confident80.7Confident33 Ų3377.6 Ų77.615%0.14540%0.4CS..EExtended strand (participates in β ladder)trans-123.5127.4-179.4-64.5-90.1000110R13 D14 L23 I60 C62R13-F25 WeakPolarHBondContact O-CZ 3.41Å; D14-F25 HydrophobicContact CB-CD1 4.29Å; D14-F25 HydrophobicContact CB-CD2 3.97Å; D14-F25 HydrophobicContact CB-CE1 4.39Å; D14-F25 HydrophobicContact CB-CE2 4.11Å; D14-F25 HydrophobicContact CB-CG 4.08Å; D14-F25 HydrophobicContact CB-CZ 4.31Å; D14-F25 WeakPolarHBondContact OD1-CD2 3.44Å; L23-F25 HydrophobicContact CB-CE2 4.23Å; L23-F25 HydrophobicContact CB-CZ 4.4Å; F25-I60 HydrophobicContact CB-CD1 4.09Å; F25-I60 HydrophobicContact CD1-CD1 3.86Å; F25-I60 HydrophobicContact CG-CD1 4.24Å; F25-C62 HydrophobicContact CD1-CB 3.78Å; F25-C62 HydrophobicContact CE1-CB 3.64Å; F25-C62 HydrophobicContact CZ-CB 4.42Å
26H86.1Confident80.5Confident32 Ų3278.4 Ų78.415%0.14841%0.408CS..EExtended strand (participates in β ladder)trans-118.8129.9-171.3-58.7-79.3000110.3S24 W38 I60 L61 F71 R78 L80S24-H26 WeakPolarHBondContact CB-NE2 3.26Å; S24-H26 PolarHBondContact OG-NE2 3.1Å; H26-W38 HydrophobicContact CB-CH2 4.19Å; H26-I60 CarbonylContact O-C 3.59Å; H26-I60 VanDerWaalsContact O-CA 3.27Å; H26-I60 WeakPolarHBondContact O-CA 3.2Å; H26-L61 PolarHBondContact N-O 3.4Å; H26-L61 PolarHBondContact O-N 2.89Å; H26-F71 AromaticContact NE2-CE1 3.27Å; H26-F71 VanDerWaalsContact NE2-CE1 3.27Å; H26-F71 WeakPolarHBondContact NE2-CE1 3.35Å; H26-R78 PolarHBondContact CE1-O 3.01Å; H26-L80 HydrophobicContact CB-CD1 3.73Å; H26-L80 VanDerWaalsContact CG-CD1 3.43Å
27Q86.4Confident80.7Confident122 Ų12278.8 Ų78.857%0.5740%0.401SS*.EExtended strand (participates in β ladder)trans-75.6152.7175.2-69.3175.817.300110.8I60Q27-I60 HydrophobicContact CB-CG2 4.49Å; Q27-I60 HydrophobicContact CG-CG2 3.68Å
28F86Confident81.1Confident12 Ų1273.9 Ų73.95%0.05337%0.374CS..PPolyproline II helixtrans-61.3134.7174.9-80.8-102.2000111R35 W38 I39 V42 W53 P55 A59 L61F28-R35 PolarHBondContact O-NH1 2.94Å; F28-W38 HydrophobicContact CD1-CB 3.87Å; F28-W38 HydrophobicContact CD1-CE3 4.01Å; F28-W38 HydrophobicContact CE1-CB 3.87Å; F28-W38 HydrophobicContact CE1-CE3 4.34Å; F28-W38 HydrophobicContact CG-CE3 4.24Å; F28-I39 HydrophobicContact CD1-CG1 4.47Å; F28-I39 HydrophobicContact CE1-CG1 4.28Å; F28-V42 HydrophobicContact CZ-CG2 4.23Å; F28-W53 HydrophobicContact CE2-CZ3 4.5Å; F28-W53 HydrophobicContact CZ-CZ3 4.12Å; F28-P55 HydrophobicContact CD1-CB 4.13Å; F28-P55 HydrophobicContact CD1-CG 3.75Å; F28-P55 HydrophobicContact CD2-CB 3.9Å; F28-P55 HydrophobicContact CD2-CG 4.41Å; F28-P55 HydrophobicContact CE1-CB 4.18Å; F28-P55 HydrophobicContact CE1-CG 3.92Å; F28-P55 HydrophobicContact CE2-CB 3.96Å; F28-P55 HydrophobicContact CG-CB 3.98Å; F28-P55 HydrophobicContact CG-CG 4.01Å; F28-P55 HydrophobicContact CZ-CB 4.1Å; F28-P55 HydrophobicContact CZ-CG 4.33Å; F28-A59 HydrophobicContact CD2-CB 3.67Å; F28-A59 HydrophobicContact CE2-CB 3.8Å; F28-L61 HydrophobicContact CE2-CD1 4.49Å; F28-L61 HydrophobicContact CE2-CD2 4.49Å; F28-L61 HydrophobicContact CE2-CG 4.06Å; F28-L61 HydrophobicContact CZ-CD1 4.14Å; F28-L61 HydrophobicContact CZ-CD2 4.4Å; F28-L61 HydrophobicContact CZ-CG 4.12Å
29P83.4Confident81.4Confident21 Ų2174.7 Ų74.714%0.13638%0.376CS..PPolyproline II helixtrans-52.2149.5-179.5-29.234.5000114.4Q34 R35 W38P29-Q34 HydrophobicContact CB-CB 4.12Å; P29-Q34 HydrophobicContact CB-CG 4.42Å; P29-Q34 HydrophobicContact CG-CB 4.18Å; P29-Q34 HydrophobicContact CG-CG 3.96Å; P29-R35 WeakPolarHBondContact O-CB 3.38Å; P29-R35 WeakPolarHBondContact O-CD 3.4Å; P29-R35 PolarHBondContact O-NH1 3.36Å; P29-W38 HydrophobicContact CG-CD2 4.07Å; P29-W38 HydrophobicContact CG-CE3 4.46Å; P29-W38 HydrophobicContact CG-CG 4.48Å; P29-W38 HydrophobicContact CG-CH2 4.46Å; P29-W38 HydrophobicContact CG-CZ2 4.09Å
30T79.4Confident81.3Confident145 Ų14577.6 Ų77.689%0.8939%0.387SS*.SBendtrans-79.3-26.7169.242.80000112.6T32T30-T32 PolarHBondContact O-N 3.36Å
31D82.1Confident81.6Confident75 Ų7572.1 Ų72.140%0.40137%0.366SS..SBendtrans-63.5125.7170.5170.540.8000110.7I33 Q34 R35D31-I33 VanDerWaalsContact C-N 3.31Å; D31-I33 PolarHBondContact O-N 2.98Å; D31-I33 PolarHBondContact OD1-N 3.14Å; D31-Q34 HydrophobicContact CB-CB 4.37Å; D31-Q34 WeakPolarHBondContact OD2-CB 3.46Å; D31-Q34 PolarHBondContact OD2-N 2.88Å; D31-R35 WeakPolarHBondContact O-CB 3.34Å; D31-R35 PolarHBondContact O-N 2.9Å
32T80.8Confident81.9Confident109 Ų10962.5 Ų62.567%0.66933%0.33SS*.Hα-helixtrans-65-35.5-175.354.40000112.1T30 S36T30-T32 PolarHBondContact O-N 3.36Å; T32-S36 WeakPolarHBondContact O-CB 3.35Å; T32-S36 PolarHBondContact O-N 3Å
33I78.8Confident81.8Confident107 Ų10763.9 Ų63.955%0.54933%0.326SS..Hα-helixtrans-69.7-54.2-179.7-63168.2000109.5D31 R35 S36 K37D31-I33 VanDerWaalsContact C-N 3.31Å; D31-I33 PolarHBondContact O-N 2.98Å; D31-I33 PolarHBondContact OD1-N 3.14Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 3.44Å; I33-S36 PolarHBondContact O-N 3.29Å; I33-S36 PolarHBondContact O-OG 3.44Å; I33-K37 PolarHBondContact O-N 3.41Å
34Q79.9Confident81.7Confident37 Ų3767.3 Ų67.317%0.17334%0.337CS..Hα-helixtrans-64.3-37178.3-158.9-179.2-2.300112.1P29 D31 S36 K37 W38 A84P29-Q34 HydrophobicContact CB-CB 4.12Å; P29-Q34 HydrophobicContact CB-CG 4.42Å; P29-Q34 HydrophobicContact CG-CB 4.18Å; P29-Q34 HydrophobicContact CG-CG 3.96Å; D31-Q34 HydrophobicContact CB-CB 4.37Å; D31-Q34 WeakPolarHBondContact OD2-CB 3.46Å; D31-Q34 PolarHBondContact OD2-N 2.88Å; Q34-S36 PolarHBondContact O-N 3.33Å; Q34-K37 PolarHBondContact O-N 2.76Å; Q34-W38 PolarHBondContact O-N 2.7Å; Q34-A84 PolarHBondContact NE2-O 3.02Å
35R83.4Confident81.2Confident60 Ų6069.8 Ų69.823%0.22635%0.351CS..Hα-helixtrans-60.6-43.5174.2-167.4-178.1-16987.8-0.1111.9F28 P29 D31 I33 K37 W38 I39 P55F28-R35 PolarHBondContact O-NH1 2.94Å; P29-R35 WeakPolarHBondContact O-CB 3.38Å; P29-R35 WeakPolarHBondContact O-CD 3.4Å; P29-R35 PolarHBondContact O-NH1 3.36Å; D31-R35 WeakPolarHBondContact O-CB 3.34Å; D31-R35 PolarHBondContact O-N 2.9Å; I33-R35 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 3.44Å; R35-K37 VanDerWaalsContact C-N 3.35Å; R35-K37 PolarHBondContact O-N 2.89Å; R35-W38 PolarHBondContact O-N 2.66Å; R35-I39 HydrophobicContact CG-CD1 4.07Å; R35-I39 VanDerWaalsContact O-CG1 3.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.24Å; R35-I39 PolarHBondContact O-N 3.31Å; R35-P55 PolarHBondContact NH2-O 3.39Å
36S79.8Confident80.4Confident66 Ų6670.7 Ų70.746%0.46236%0.357SS..Hα-helixtrans-62.9-39.2177750000112.5T32 I33 Q34 I39 R40T32-S36 WeakPolarHBondContact O-CB 3.35Å; T32-S36 PolarHBondContact O-N 3Å; I33-S36 PolarHBondContact O-N 3.29Å; I33-S36 PolarHBondContact O-OG 3.44Å; Q34-S36 PolarHBondContact O-N 3.33Å; S36-I39 PolarHBondContact O-N 3.31Å; S36-R40 WeakPolarHBondContact O-CB 3.46Å; S36-R40 PolarHBondContact O-N 2.78Å
37K81.6Confident78.9Confident114 Ų11474.9 Ų74.950%0.49639%0.388SS..Hα-helixtrans-61.7-43.7174.3-68.1-179.2178.9-175.90111.6I33 Q34 R35 R40 A41 V85I33-K37 PolarHBondContact O-N 3.41Å; Q34-K37 PolarHBondContact O-N 2.76Å; R35-K37 VanDerWaalsContact C-N 3.35Å; R35-K37 PolarHBondContact O-N 2.89Å; K37-R40 PolarHBondContact O-N 2.94Å; K37-A41 WeakPolarHBondContact O-CB 3.25Å; K37-A41 PolarHBondContact O-N 2.89Å; K37-V85 HydrophobicContact CB-CG1 4.24Å; K37-V85 HydrophobicContact CB-CG2 3.98Å; K37-V85 HydrophobicContact CD-CG2 4.06Å
38W87.1Confident77.4Confident7 Ų780.5 Ų80.53%0.02740%0.404CS..Hα-helixtrans-65.7-41.9177.1-77.137.6000112.8H26 F28 P29 Q34 R35 R40 A41 V42 L61 F66 L80 A84 P86H26-W38 HydrophobicContact CB-CH2 4.19Å; F28-W38 HydrophobicContact CD1-CB 3.87Å; F28-W38 HydrophobicContact CD1-CE3 4.01Å; F28-W38 HydrophobicContact CE1-CB 3.87Å; F28-W38 HydrophobicContact CE1-CE3 4.34Å; F28-W38 HydrophobicContact CG-CE3 4.24Å; P29-W38 HydrophobicContact CG-CD2 4.07Å; P29-W38 HydrophobicContact CG-CE3 4.46Å; P29-W38 HydrophobicContact CG-CG 4.48Å; P29-W38 HydrophobicContact CG-CH2 4.46Å; P29-W38 HydrophobicContact CG-CZ2 4.09Å; Q34-W38 PolarHBondContact O-N 2.7Å; R35-W38 PolarHBondContact O-N 2.66Å; W38-R40 VanDerWaalsContact C-N 3.34Å; W38-A41 PolarHBondContact O-N 3.08Å; W38-V42 WeakPolarHBondContact O-CG2 3.47Å; W38-V42 PolarHBondContact O-N 3.26Å; W38-L61 HydrophobicContact CE3-CD1 3.76Å; W38-L61 HydrophobicContact CZ3-CD1 4.11Å; W38-F66 AromaticContact CE2-CE1 3.98Å; W38-F66 HydrophobicContact CE3-CZ 4.32Å; W38-F66 AromaticContact CH2-CE1 3.87Å; W38-F66 HydrophobicContact CH2-CE1 3.87Å; W38-F66 HydrophobicContact CH2-CE2 4.49Å; W38-F66 AromaticContact CH2-CZ 3.44Å; W38-F66 HydrophobicContact CH2-CZ 3.44Å; W38-F66 VanDerWaalsContact CH2-CZ 3.44Å; W38-F66 AromaticContact CZ2-CE1 3.54Å; W38-F66 HydrophobicContact CZ2-CE1 3.54Å; W38-F66 AromaticContact CZ2-CZ 3.63Å; W38-F66 HydrophobicContact CZ2-CZ 3.63Å; W38-F66 AromaticContact CZ3-CZ 3.81Å; W38-F66 HydrophobicContact CZ3-CZ 3.81Å; W38-L80 HydrophobicContact CH2-CD1 3.66Å; W38-L80 HydrophobicContact CZ2-CD1 3.87Å; W38-A84 PolarHBondContact NE1-O 2.96Å; W38-P86 HydrophobicContact CD2-CG 4.36Å; W38-P86 HydrophobicContact CG-CG 4.24Å
39I83.3Confident76.3Confident38 Ų3882.6 Ų82.620%0.19542%0.42CS..Hα-helixtrans-60.9-45.7175.8-67.8166.1000110.3F28 R35 S36 A41 V42 N43 I52 P55F28-I39 HydrophobicContact CD1-CG1 4.47Å; F28-I39 HydrophobicContact CE1-CG1 4.28Å; R35-I39 HydrophobicContact CG-CD1 4.07Å; R35-I39 VanDerWaalsContact O-CG1 3.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.24Å; R35-I39 PolarHBondContact O-N 3.31Å; S36-I39 PolarHBondContact O-N 3.31Å; I39-A41 VanDerWaalsContact C-N 3.35Å; I39-A41 PolarHBondContact O-N 3.1Å; I39-V42 PolarHBondContact O-N 3.24Å; I39-N43 PolarHBondContact O-N 3.28Å; I39-I52 HydrophobicContact CG2-CG2 3.77Å; I39-P55 HydrophobicContact CD1-CG 3.79Å; I39-P55 HydrophobicContact CG1-CG 3.66Å
40R78.6Confident75.3Confident212 Ų21290.4 Ų90.480%0.845%0.452SS*.Hα-helixtrans-64.4-37.7179.2-162.4179.5-152162.87.1112.7S36 K37 W38S36-R40 WeakPolarHBondContact O-CB 3.46Å; S36-R40 PolarHBondContact O-N 2.78Å; K37-R40 PolarHBondContact O-N 2.94Å; W38-R40 VanDerWaalsContact C-N 3.34Å
41A79.7Confident74.6Confident23 Ų2390.7 Ų90.719%0.1944%0.441CS..Hα-helixtrans-66.9-46.7175.600000112K37 W38 I39 N43 V85 P86 L90K37-A41 WeakPolarHBondContact O-CB 3.25Å; K37-A41 PolarHBondContact O-N 2.89Å; W38-A41 PolarHBondContact O-N 3.08Å; I39-A41 VanDerWaalsContact C-N 3.35Å; I39-A41 PolarHBondContact O-N 3.1Å; A41-N43 PolarHBondContact O-N 3.33Å; A41-V85 HydrophobicContact CB-CG1 4.17Å; A41-P86 HydrophobicContact CB-CG 3.98Å; A41-P86 WeakPolarHBondContact CB-O 3.49Å; A41-L90 HydrophobicContact CB-CD1 3.96Å; A41-L90 WeakPolarHBondContact O-CD1 3.37Å
42V79.8Confident74.2Confident1 Ų192.4 Ų92.41%0.00645%0.448CS..Hα-helixtrans-64.6-27.9178.5170.10000112.3F28 W38 I39 R44 L61F28-V42 HydrophobicContact CZ-CG2 4.23Å; W38-V42 WeakPolarHBondContact O-CG2 3.47Å; W38-V42 PolarHBondContact O-N 3.26Å; I39-V42 PolarHBondContact O-N 3.24Å; V42-R44 HydrophobicContact CG1-CB 4Å; V42-R44 PolarHBondContact O-N 2.87Å; V42-L61 HydrophobicContact CG2-CD1 3.8Å; V42-L61 HydrophobicContact CG2-CD2 3.95Å; V42-L61 HydrophobicContact CG2-CG 4.49Å
43N72.5Confident74.2Confident73 Ų7390 Ų9039%0.3943%0.427SS..  trans42.538.5173-160.923.4000115.1I39 A41 Y91I39-N43 PolarHBondContact O-N 3.28Å; A41-N43 PolarHBondContact O-N 3.33Å; N43-Y91 WeakPolarHBondContact CB-OH 3.28Å; N43-Y91 PolarHBondContact ND2-OH 3.48Å
44R77.4Confident74.1Confident101 Ų10191.5 Ų91.538%0.38144%0.435SS..  trans-80.9133177.8-178.3172.5176.5166-1.9108.8S6 V8 V42 W53S6-R44 PolarHBondContact O-NH1 3.42Å; V8-R44 HydrophobicContact CG2-CB 3.91Å; V8-R44 HydrophobicContact CG2-CG 4.15Å; V42-R44 HydrophobicContact CG1-CB 4Å; V42-R44 PolarHBondContact O-N 2.87Å; R44-W53 HydrophobicContact CB-CB 3.97Å; R44-W53 HydrophobicContact CB-CD2 4.44Å; R44-W53 HydrophobicContact CB-CE3 4.12Å; R44-W53 HydrophobicContact CB-CG 4.42Å; R44-W53 HydrophobicContact CG-CB 3.84Å; R44-W53 HydrophobicContact CG-CD2 4.26Å; R44-W53 HydrophobicContact CG-CE3 4.39Å; R44-W53 HydrophobicContact CG-CG 4.05Å; R44-W53 VanDerWaalsContact O-CB 3.23Å; R44-W53 WeakPolarHBondContact O-CB 3.15Å; R44-W53 PolarHBondContact O-N 3.48Å
45V74.1Confident74.2Confident77 Ų7790 Ų9047%0.46743%0.428SS..BIsolated β-bridgetrans-106.5140174.3-177.60000108.2P47 K51V45-P47 WeakPolarHBondContact O-CD 3.13Å; V45-K51 WeakPolarHBondContact CA-O 3.45Å; V45-K51 WeakPolarHBondContact CG1-O 3.42Å
46D67.6Low73.9Confident52 Ų5288.9 Ų88.928%0.27844%0.435SS..  trans-75.7121.7172.7166.534.6000110.3R48 S49 K50 K51D46-R48 PolarHBondContact O-N 3.12Å; D46-R48 VanDerWaalsContact O-N 3.17Å; D46-R48 PolarHBondContact OD1-N 3.03Å; D46-S49 WeakPolarHBondContact CB-OG 3.44Å; D46-S49 PolarHBondContact O-N 3.48Å; D46-S49 VanDerWaalsContact OD2-CB 3.23Å; D46-S49 WeakPolarHBondContact OD2-CB 3.47Å; D46-S49 PolarHBondContact OD2-N 3.35Å; D46-S49 VanDerWaalsContact OD2-N 3.11Å; D46-S49 PolarHBondContact OD2-OG 3.43Å; D46-K50 WeakPolarHBondContact O-CA 3.36Å; D46-K50 PolarHBondContact O-N 3.06Å; D46-K51 PolarHBondContact N-O 3.2Å
47P55.2Low73.6Confident121 Ų12191.7 Ų91.779%0.78645%0.452SS*.THydrogen-bonded Turntrans-57.8-29.7-177.3-26.435.1000114.8V45V45-P47 WeakPolarHBondContact O-CD 3.13Å
48R54.5Low73.2Confident239 Ų23988.2 Ų88.290%0.90245%0.449SS*.THydrogen-bonded Turntrans-82.6-45.5-177.1-70-176.7176.7-179.5-1.5112.7D46D46-R48 PolarHBondContact O-N 3.12Å; D46-R48 VanDerWaalsContact O-N 3.17Å; D46-R48 PolarHBondContact OD1-N 3.03Å
49S64.1Low73.1Confident56 Ų5688.5 Ų88.539%0.39245%0.452SS..THydrogen-bonded Turntrans-93.7-11.3-174.765.30000115D46 K51D46-S49 WeakPolarHBondContact CB-OG 3.44Å; D46-S49 PolarHBondContact O-N 3.48Å; D46-S49 VanDerWaalsContact OD2-CB 3.23Å; D46-S49 WeakPolarHBondContact OD2-CB 3.47Å; D46-S49 PolarHBondContact OD2-N 3.35Å; D46-S49 VanDerWaalsContact OD2-N 3.11Å; D46-S49 PolarHBondContact OD2-OG 3.43Å; S49-K51 PolarHBondContact O-N 3.25Å; S49-K51 VanDerWaalsContact O-N 3.07Å; S49-K51 PolarHBondContact OG-N 2.93Å
50K60.7Low73.4Confident185 Ų18586.9 Ų86.980%0.80444%0.444SS*.  trans5516.8-170.4-60.6-178.4179.4176.90114.1D46D46-K50 WeakPolarHBondContact O-CA 3.36Å; D46-K50 PolarHBondContact O-N 3.06Å
51K66.1Low73.8Confident152 Ų15276.8 Ų76.866%0.66141%0.406SS*.SBendtrans-98.1160.8177.2-68.7175.6-178.2178.20111V45 D46 S49 W53V45-K51 WeakPolarHBondContact CA-O 3.45Å; V45-K51 WeakPolarHBondContact CG1-O 3.42Å; D46-K51 PolarHBondContact N-O 3.2Å; S49-K51 PolarHBondContact O-N 3.25Å; S49-K51 VanDerWaalsContact O-N 3.07Å; S49-K51 PolarHBondContact OG-N 2.93Å; K51-W53 PolarHBondContact O-N 3.16Å
52I72.5Confident74.1Confident110 Ų11075.7 Ų75.756%0.56440%0.397SS*.BIsolated β-bridgetrans-60.6129.8175.6-58.6173.6000109.2I39I39-I52 HydrophobicContact CG2-CG2 3.77Å
53W81.3Confident74.4Confident58 Ų5876.4 Ų76.422%0.2240%0.402CS..PPolyproline II helixtrans-68.7134.3-178.7172.177.2000111.8F28 R44 K51 P55 A59F28-W53 HydrophobicContact CE2-CZ3 4.5Å; F28-W53 HydrophobicContact CZ-CZ3 4.12Å; R44-W53 HydrophobicContact CB-CB 3.97Å; R44-W53 HydrophobicContact CB-CD2 4.44Å; R44-W53 HydrophobicContact CB-CE3 4.12Å; R44-W53 HydrophobicContact CB-CG 4.42Å; R44-W53 HydrophobicContact CG-CB 3.84Å; R44-W53 HydrophobicContact CG-CD2 4.26Å; R44-W53 HydrophobicContact CG-CE3 4.39Å; R44-W53 HydrophobicContact CG-CG 4.05Å; R44-W53 VanDerWaalsContact O-CB 3.23Å; R44-W53 WeakPolarHBondContact O-CB 3.15Å; R44-W53 PolarHBondContact O-N 3.48Å; K51-W53 PolarHBondContact O-N 3.16Å; W53-P55 HydrophobicContact CH2-CB 3.66Å; W53-P55 HydrophobicContact CZ2-CB 4.29Å; W53-P55 HydrophobicContact CZ3-CB 3.79Å; W53-P55 HydrophobicContact CZ3-CG 4.48Å; W53-A59 HydrophobicContact CH2-CB 4.04Å
54I77.3Confident74.8Confident140 Ų14078.7 Ų78.772%0.71841%0.408SS*.PPolyproline II helixtrans-102.8121.1180-57.2177.1000109.2G56I54-G56 PolarHBondContact O-N 3.06Å
55P81.1Confident75.1Confident5 Ų574.3 Ų74.33%0.03239%0.392CS..PPolyproline II helixtrans-72.4122.4-179.726.4-32.9000111.7F28 R35 I39 W53 A59F28-P55 HydrophobicContact CD1-CB 4.13Å; F28-P55 HydrophobicContact CD1-CG 3.75Å; F28-P55 HydrophobicContact CD2-CB 3.9Å; F28-P55 HydrophobicContact CD2-CG 4.41Å; F28-P55 HydrophobicContact CE1-CB 4.18Å; F28-P55 HydrophobicContact CE1-CG 3.92Å; F28-P55 HydrophobicContact CE2-CB 3.96Å; F28-P55 HydrophobicContact CG-CB 3.98Å; F28-P55 HydrophobicContact CG-CG 4.01Å; F28-P55 HydrophobicContact CZ-CB 4.1Å; F28-P55 HydrophobicContact CZ-CG 4.33Å; R35-P55 PolarHBondContact NH2-O 3.39Å; I39-P55 HydrophobicContact CD1-CG 3.79Å; I39-P55 HydrophobicContact CG1-CG 3.66Å; W53-P55 HydrophobicContact CH2-CB 3.66Å; W53-P55 HydrophobicContact CZ2-CB 4.29Å; W53-P55 HydrophobicContact CZ3-CB 3.79Å; W53-P55 HydrophobicContact CZ3-CG 4.48Å; P55-A59 HydrophobicContact CB-CB 3.63Å
56G78.2Confident75.6Confident36 Ų3671 Ų7137%0.37137%0.372SS..  trans-71.4176.1169.500000113.6I54 G58 A59I54-G56 PolarHBondContact O-N 3.06Å; G56-G58 PolarHBondContact O-N 2.96Å; G56-A59 VanDerWaalsContact O-CB 3.26Å; G56-A59 WeakPolarHBondContact O-CB 3.15Å; G56-A59 PolarHBondContact O-N 3.46Å; G56-A59 VanDerWaalsContact O-N 3.09Å
57P73.3Confident76.3Confident125 Ų12573.3 Ų73.381%0.81238%0.381SS*.THydrogen-bonded Turntrans-65.7-21.3-174.525.3-34.4000114.4
58G73.7Confident77.2Confident42 Ų4275 Ų7543%0.43338%0.378SS..THydrogen-bonded Turntrans-83.3-5.9174.700000115.3G56G56-G58 PolarHBondContact O-N 2.96Å
59A84.9Confident78.3Confident12 Ų1267.5 Ų67.510%0.09936%0.363CS..  trans-71.3133-17300000112.6F28 W53 P55 G56F28-A59 HydrophobicContact CD2-CB 3.67Å; F28-A59 HydrophobicContact CE2-CB 3.8Å; W53-A59 HydrophobicContact CH2-CB 4.04Å; P55-A59 HydrophobicContact CB-CB 3.63Å; G56-A59 VanDerWaalsContact O-CB 3.26Å; G56-A59 WeakPolarHBondContact O-CB 3.15Å; G56-A59 PolarHBondContact O-N 3.46Å; G56-A59 VanDerWaalsContact O-N 3.09Å
60I87.9Confident79Confident4 Ų466.4 Ų66.42%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-135.3156.2-179.655.8170.9000111.8R3 S4 S6 D14 F25 H26 Q27R3-I60 HydrophobicContact CB-CD1 3.44Å; R3-I60 VanDerWaalsContact CB-CD1 3.44Å; R3-I60 HydrophobicContact CB-CG1 4.18Å; S4-I60 VanDerWaalsContact O-CG1 3.27Å; S4-I60 WeakPolarHBondContact O-CG1 3.48Å; S6-I60 VanDerWaalsContact CB-O 3.32Å; S6-I60 WeakPolarHBondContact CB-O 3.22Å; S6-I60 PolarHBondContact N-O 3.37Å; S6-I60 PolarHBondContact OG-N 3.34Å; S6-I60 PolarHBondContact OG-O 3.05Å; D14-I60 HydrophobicContact CB-CD1 4.16Å; F25-I60 HydrophobicContact CB-CD1 4.09Å; F25-I60 HydrophobicContact CD1-CD1 3.86Å; F25-I60 HydrophobicContact CG-CD1 4.24Å; H26-I60 CarbonylContact O-C 3.59Å; H26-I60 VanDerWaalsContact O-CA 3.27Å; H26-I60 WeakPolarHBondContact O-CA 3.2Å; Q27-I60 HydrophobicContact CB-CG2 4.49Å; Q27-I60 HydrophobicContact CG-CG2 3.68Å
61L87.8Confident80Confident0 Ų058.9 Ų58.90%032%0.319CS..EExtended strand (participates in β ladder)trans-121.1140.3167.5-65.3177.3000109.8A7 H26 F28 W38 V42 F66 P86A7-L61 HydrophobicContact CB-CD2 3.95Å; H26-L61 PolarHBondContact N-O 3.4Å; H26-L61 PolarHBondContact O-N 2.89Å; F28-L61 HydrophobicContact CE2-CD1 4.49Å; F28-L61 HydrophobicContact CE2-CD2 4.49Å; F28-L61 HydrophobicContact CE2-CG 4.06Å; F28-L61 HydrophobicContact CZ-CD1 4.14Å; F28-L61 HydrophobicContact CZ-CD2 4.4Å; F28-L61 HydrophobicContact CZ-CG 4.12Å; W38-L61 HydrophobicContact CE3-CD1 3.76Å; W38-L61 HydrophobicContact CZ3-CD1 4.11Å; V42-L61 HydrophobicContact CG2-CD1 3.8Å; V42-L61 HydrophobicContact CG2-CD2 3.95Å; V42-L61 HydrophobicContact CG2-CG 4.49Å; L61-F66 HydrophobicContact CB-CE2 4.05Å; L61-F66 HydrophobicContact CB-CZ 4.42Å; L61-F66 HydrophobicContact CD1-CZ 4.26Å; L61-P86 HydrophobicContact CD1-CB 4.17Å; L61-P86 HydrophobicContact CD1-CG 3.81Å
62C86.9Confident80.6Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-80.8159.3173.577.50000111.8C5 T12 S24 F25 K64 H65C5-C62 HydrophobicContact CB-CB 4.43Å; C5-C62 PolarHBondContact SG-N 2.93Å; C5-C62 VanDerWaalsContact SG-N 3.37Å; T12-C62 PolarHBondContact OG1-SG 2.68Å; T12-C62 VanDerWaalsContact OG1-SG 3.32Å; S24-C62 CarbonylContact O-C 3.43Å; S24-C62 WeakPolarHBondContact O-CA 3.15Å; F25-C62 HydrophobicContact CD1-CB 3.78Å; F25-C62 HydrophobicContact CE1-CB 3.64Å; F25-C62 HydrophobicContact CZ-CB 4.42Å; C62-K64 PolarHBondContact O-N 2.81Å; C62-K64 VanDerWaalsContact O-N 3.09Å; C62-H65 PolarHBondContact O-N 2.85Å
63S84.6Confident80.3Confident16 Ų1654.6 Ų54.611%0.11231%0.31CS..G310 helixtrans-57.9-21.4-179.7420000115.2S24 H65 F66S24-S63 PolarHBondContact N-OG 3.23Å; S24-S63 VanDerWaalsContact N-OG 3.16Å; S24-S63 PolarHBondContact O-N 3.13Å; S24-S63 PolarHBondContact O-OG 3.47Å; S24-S63 WeakPolarHBondContact OG-CB 3.48Å; S63-H65 PolarHBondContact O-N 2.9Å; S63-F66 PolarHBondContact O-N 3.48Å; S63-F66 VanDerWaalsContact O-N 3.16Å
64K81.5Confident79.3Confident121 Ų12159.2 Ų59.253%0.52633%0.329SS..G310 helixtrans-60.7-12.7178.1-60.1-168.7174-167.90114.9T12 L23 C62T12-K64 HydrophobicContact CG2-CD 4.38Å; L23-K64 HydrophobicContact CD2-CD 4.39Å; L23-K64 HydrophobicContact CD2-CG 3.86Å; C62-K64 PolarHBondContact O-N 2.81Å; C62-K64 VanDerWaalsContact O-N 3.09Å
65H84.7Confident78.6Confident9 Ų955.9 Ų55.94%0.04233%0.33CS..G310 helixtrans-992.4-178.8-60.6-60.5000114.3A7 C10 C62 S63 P86 S87 V88 S89 L90A7-H65 VanDerWaalsContact CB-NE2 3.34Å; A7-H65 WeakPolarHBondContact CB-NE2 3.32Å; C10-H65 PolarHBondContact SG-NE2 2.97Å; C62-H65 PolarHBondContact O-N 2.85Å; S63-H65 PolarHBondContact O-N 2.9Å; H65-P86 HydrophobicContact CB-CB 4.05Å; H65-P86 CarbonylContact O-C 3.5Å; H65-P86 WeakPolarHBondContact O-CA 3.49Å; H65-P86 WeakPolarHBondContact O-CB 3.44Å; H65-S87 PolarHBondContact O-N 3.04Å; H65-V88 WeakPolarHBondContact CA-O 3.49Å; H65-V88 PolarHBondContact ND1-O 3.33Å; H65-V88 VanDerWaalsContact ND1-O 3.15Å; H65-V88 PolarHBondContact O-N 2.9Å; H65-S89 PolarHBondContact ND1-O 3.42Å; H65-L90 HydrophobicContact CB-CD2 4.04Å
66F84.8Confident77.5Confident9 Ų964.1 Ų64.14%0.03937%0.372CS..SBendtrans-120.1153.8-179.8-59.6-91.9000109.4W38 L61 S63 D70 F71 L80 P86W38-F66 AromaticContact CE2-CE1 3.98Å; W38-F66 HydrophobicContact CE3-CZ 4.32Å; W38-F66 AromaticContact CH2-CE1 3.87Å; W38-F66 HydrophobicContact CH2-CE1 3.87Å; W38-F66 HydrophobicContact CH2-CE2 4.49Å; W38-F66 AromaticContact CH2-CZ 3.44Å; W38-F66 HydrophobicContact CH2-CZ 3.44Å; W38-F66 VanDerWaalsContact CH2-CZ 3.44Å; W38-F66 AromaticContact CZ2-CE1 3.54Å; W38-F66 HydrophobicContact CZ2-CE1 3.54Å; W38-F66 AromaticContact CZ2-CZ 3.63Å; W38-F66 HydrophobicContact CZ2-CZ 3.63Å; W38-F66 AromaticContact CZ3-CZ 3.81Å; W38-F66 HydrophobicContact CZ3-CZ 3.81Å; L61-F66 HydrophobicContact CB-CE2 4.05Å; L61-F66 HydrophobicContact CB-CZ 4.42Å; L61-F66 HydrophobicContact CD1-CZ 4.26Å; S63-F66 PolarHBondContact O-N 3.48Å; S63-F66 VanDerWaalsContact O-N 3.16Å; F66-D70 HydrophobicContact CB-CB 4.27Å; F66-F71 HydrophobicContact CB-CE2 3.83Å; F66-F71 HydrophobicContact CB-CZ 3.74Å; F66-F71 HydrophobicContact CD2-CZ 4.49Å; F66-F71 HydrophobicContact CG-CZ 4.35Å; F66-L80 HydrophobicContact CB-CD2 3.97Å; F66-L80 HydrophobicContact CD1-CD1 4.02Å; F66-L80 HydrophobicContact CD1-CD2 3.54Å; F66-L80 HydrophobicContact CD1-CG 4.46Å; F66-L80 HydrophobicContact CD2-CD1 4.34Å; F66-L80 HydrophobicContact CD2-CD2 4.3Å; F66-L80 HydrophobicContact CE1-CD1 3.67Å; F66-L80 HydrophobicContact CE1-CD2 4.08Å; F66-L80 HydrophobicContact CE2-CD1 4.04Å; F66-L80 HydrophobicContact CG-CD1 4.33Å; F66-L80 HydrophobicContact CG-CD2 3.67Å; F66-L80 HydrophobicContact CZ-CD1 3.71Å; F66-P86 HydrophobicContact CD1-CB 4.22Å; F66-P86 HydrophobicContact CE1-CB 3.8Å; F66-P86 HydrophobicContact CE1-CG 4.19Å; F66-P86 HydrophobicContact CE2-CB 4.26Å; F66-P86 HydrophobicContact CZ-CB 3.8Å; F66-P86 HydrophobicContact CZ-CG 4.19Å
67Q80.4Confident76.6Confident99 Ų9972.3 Ų72.346%0.46339%0.391SS..  trans-72.8153.7173.8-68.8-71.40.900110.1S69 D70 F71 V88Q67-S69 WeakPolarHBondContact CB-OG 3.38Å; Q67-S69 PolarHBondContact O-N 3.14Å; Q67-D70 PolarHBondContact N-OD2 2.94Å; Q67-D70 VanDerWaalsContact O-CB 3.31Å; Q67-D70 WeakPolarHBondContact O-CB 3.41Å; Q67-D70 PolarHBondContact O-N 3.09Å; Q67-F71 VanDerWaalsContact O-CD2 3.24Å; Q67-F71 WeakPolarHBondContact O-CD2 3.29Å; Q67-F71 VanDerWaalsContact O-CE2 3.28Å; Q67-F71 WeakPolarHBondContact O-CE2 3.44Å; Q67-V88 HydrophobicContact CG-CG2 3.92Å
68E74.3Confident76.4Confident158 Ų15872.8 Ų72.874%0.73838%0.377SS*.G310 helixtrans-63-29.4175.8-60.4-156.3136.200111.9D70 F71E68-D70 PolarHBondContact O-N 2.93Å; E68-F71 PolarHBondContact O-N 3.24Å
69S77.3Confident76.6Confident81 Ų8177 Ų7757%0.56638%0.383SS*.G310 helixtrans-65.5-18171.957.20000114.7Q67 F71 K81Q67-S69 WeakPolarHBondContact CB-OG 3.38Å; Q67-S69 PolarHBondContact O-N 3.14Å; S69-F71 PolarHBondContact O-N 3.36Å; S69-K81 WeakPolarHBondContact O-CD 3.47Å; S69-K81 WeakPolarHBondContact O-CE 3.13Å; S69-K81 PolarHBondContact O-NZ 2.91Å
70D80.6Confident76.5Confident32 Ų3277.5 Ų77.517%0.17138%0.384CS..G310 helixtrans-78.2-6.7178.4-68-38.2000113F66 Q67 E68 L80 K81 A84F66-D70 HydrophobicContact CB-CB 4.27Å; Q67-D70 PolarHBondContact N-OD2 2.94Å; Q67-D70 VanDerWaalsContact O-CB 3.31Å; Q67-D70 WeakPolarHBondContact O-CB 3.41Å; Q67-D70 PolarHBondContact O-N 3.09Å; E68-D70 PolarHBondContact O-N 2.93Å; D70-L80 HydrophobicContact CB-CD2 4.04Å; D70-K81 WeakPolarHBondContact O-CB 3.28Å; D70-K81 WeakPolarHBondContact O-CG 3.34Å; D70-K81 PolarHBondContact O-N 2.93Å; D70-A84 HydrophobicContact CB-CB 4.01Å
71F80.4Confident76.1Confident27 Ų2781.4 Ų81.412%0.11840%0.401CS..EExtended strand (participates in β ladder)trans-101.8146.4-177.1-61.5-82.9000113.3H26 F66 Q67 E68 S69 R78 K79 L80 K81H26-F71 AromaticContact NE2-CE1 3.27Å; H26-F71 VanDerWaalsContact NE2-CE1 3.27Å; H26-F71 WeakPolarHBondContact NE2-CE1 3.35Å; F66-F71 HydrophobicContact CB-CE2 3.83Å; F66-F71 HydrophobicContact CB-CZ 3.74Å; F66-F71 HydrophobicContact CD2-CZ 4.49Å; F66-F71 HydrophobicContact CG-CZ 4.35Å; Q67-F71 VanDerWaalsContact O-CD2 3.24Å; Q67-F71 WeakPolarHBondContact O-CD2 3.29Å; Q67-F71 VanDerWaalsContact O-CE2 3.28Å; Q67-F71 WeakPolarHBondContact O-CE2 3.44Å; E68-F71 PolarHBondContact O-N 3.24Å; S69-F71 PolarHBondContact O-N 3.36Å; F71-R78 HydrophobicContact CD1-CB 4.19Å; F71-K79 CarbonylContact C-O 3.5Å; F71-K79 WeakPolarHBondContact CA-O 3.37Å; F71-L80 HydrophobicContact CD1-CD2 3.85Å; F71-L80 HydrophobicContact CD1-CG 4.2Å; F71-L80 HydrophobicContact CE1-CD2 3.47Å; F71-L80 VanDerWaalsContact CE1-CD2 3.47Å; F71-L80 HydrophobicContact CE1-CG 3.84Å; F71-L80 HydrophobicContact CE2-CD2 4.44Å; F71-L80 HydrophobicContact CG-CD2 4.47Å; F71-L80 HydrophobicContact CZ-CD2 3.81Å; F71-K81 VanDerWaalsContact O-CE 3.3Å; F71-K81 WeakPolarHBondContact O-CE 3.43Å
72E79.4Confident75.4Confident71 Ų7191.5 Ų91.533%0.33245%0.445SS..EExtended strand (participates in β ladder)trans-105.1128.5160.3-74162-163.300108Y74 K79 K81E72-Y74 HydrophobicContact CB-CD2 4.24Å; E72-Y74 HydrophobicContact CB-CE2 3.75Å; E72-K79 PolarHBondContact N-O 2.84Å; E72-K79 PolarHBondContact O-N 3.26Å; E72-K81 HydrophobicContact CG-CD 4.49Å; E72-K81 HydrophobicContact CG-CG 3.74Å
73S65.3Low74.8Confident101 Ų10193.9 Ų93.971%0.70647%0.469SS*.EExtended strand (participates in β ladder)trans-93.7112.8178.350.40000111.2
74Y60.4Low74.7Confident155 Ų15593.4 Ų93.461%0.60847%0.466SS*.EExtended strand (participates in β ladder)trans-111.681.6170-68.9-87.6000108.7E72 I76 R77E72-Y74 HydrophobicContact CB-CD2 4.24Å; E72-Y74 HydrophobicContact CB-CE2 3.75Å; Y74-I76 PolarHBondContact O-N 2.99Å; Y74-R77 PolarHBondContact N-O 3.22Å; Y74-R77 PolarHBondContact O-N 3.17Å; Y74-R77 VanDerWaalsContact O-N 3.08Å
75G64.1Low74.7Confident71 Ų7189.7 Ų89.773%0.73245%0.454SS*.THydrogen-bonded Turntrans55.3-126.1-172.300000111.7R77G75-R77 PolarHBondContact O-N 3.02Å
76I57.1Low74.6Confident178 Ų17889.4 Ų89.491%0.91345%0.453SS*.THydrogen-bonded Turntrans-66.6-16.4-179.1-60.3162.5000112.5Y74Y74-I76 PolarHBondContact O-N 2.99Å
77R58.2Low74.2Confident208 Ų20892.5 Ų92.579%0.78548%0.475SS*.EExtended strand (participates in β ladder)trans-103113.3-176.6-65.5-175.9-179.9-1791.6111.8Y74 G75Y74-R77 PolarHBondContact N-O 3.22Å; Y74-R77 PolarHBondContact O-N 3.17Å; Y74-R77 VanDerWaalsContact O-N 3.08Å; G75-R77 PolarHBondContact O-N 3.02Å
78R69.6Low73.4Confident134 Ų13489.4 Ų89.451%0.50646%0.463SS..EExtended strand (participates in β ladder)trans-85.1127168.7-61.7-176.4-178.2-164.2-0.9110.3H26 F71H26-R78 PolarHBondContact CE1-O 3.01Å; F71-R78 HydrophobicContact CD1-CB 4.19Å
79K77.6Confident72.6Confident130 Ų13086.3 Ų86.357%0.56546%0.459SS*.EExtended strand (participates in β ladder)trans-122.6141.8179.3-172.1-179178.5-174.70110.2F71 E72F71-K79 CarbonylContact C-O 3.5Å; F71-K79 WeakPolarHBondContact CA-O 3.37Å; E72-K79 PolarHBondContact N-O 2.84Å; E72-K79 PolarHBondContact O-N 3.26Å
80L83Confident71.8Confident24 Ų2483.2 Ų83.213%0.12644%0.436CS..EExtended strand (participates in β ladder)trans-73.1137.7175.2-75.3167000111.8H26 W38 F66 D70 F71 A84H26-L80 HydrophobicContact CB-CD1 3.73Å; H26-L80 VanDerWaalsContact CG-CD1 3.43Å; W38-L80 HydrophobicContact CH2-CD1 3.66Å; W38-L80 HydrophobicContact CZ2-CD1 3.87Å; F66-L80 HydrophobicContact CB-CD2 3.97Å; F66-L80 HydrophobicContact CD1-CD1 4.02Å; F66-L80 HydrophobicContact CD1-CD2 3.54Å; F66-L80 HydrophobicContact CD1-CG 4.46Å; F66-L80 HydrophobicContact CD2-CD1 4.34Å; F66-L80 HydrophobicContact CD2-CD2 4.3Å; F66-L80 HydrophobicContact CE1-CD1 3.67Å; F66-L80 HydrophobicContact CE1-CD2 4.08Å; F66-L80 HydrophobicContact CE2-CD1 4.04Å; F66-L80 HydrophobicContact CG-CD1 4.33Å; F66-L80 HydrophobicContact CG-CD2 3.67Å; F66-L80 HydrophobicContact CZ-CD1 3.71Å; D70-L80 HydrophobicContact CB-CD2 4.04Å; F71-L80 HydrophobicContact CD1-CD2 3.85Å; F71-L80 HydrophobicContact CD1-CG 4.2Å; F71-L80 HydrophobicContact CE1-CD2 3.47Å; F71-L80 VanDerWaalsContact CE1-CD2 3.47Å; F71-L80 HydrophobicContact CE1-CG 3.84Å; F71-L80 HydrophobicContact CE2-CD2 4.44Å; F71-L80 HydrophobicContact CG-CD2 4.47Å; F71-L80 HydrophobicContact CZ-CD2 3.81Å; L80-A84 HydrophobicContact CB-CB 4.45Å; L80-A84 HydrophobicContact CD2-CB 4.18Å
81K80.9Confident70.5Confident86 Ų8688.3 Ų88.337%0.37445%0.454SS..PPolyproline II helixtrans-60.1149.3172.6-74.3173.8179.2167.70111.4S69 D70 F71 E72 G83 A84S69-K81 WeakPolarHBondContact O-CD 3.47Å; S69-K81 WeakPolarHBondContact O-CE 3.13Å; S69-K81 PolarHBondContact O-NZ 2.91Å; D70-K81 WeakPolarHBondContact O-CB 3.28Å; D70-K81 WeakPolarHBondContact O-CG 3.34Å; D70-K81 PolarHBondContact O-N 2.93Å; F71-K81 VanDerWaalsContact O-CE 3.3Å; F71-K81 WeakPolarHBondContact O-CE 3.43Å; E72-K81 HydrophobicContact CG-CD 4.49Å; E72-K81 HydrophobicContact CG-CG 3.74Å; K81-G83 PolarHBondContact O-N 3.24Å; K81-A84 WeakPolarHBondContact O-CB 3.38Å; K81-A84 PolarHBondContact O-N 3.14Å
82K72.3Confident68.5Low212 Ų21295.8 Ų95.892%0.92249%0.486SS*.THydrogen-bonded Turntrans-61.3125172.7-72.5179.6180172.80109.4
83G74.1Confident66.2Low49 Ų4999.4 Ų99.451%0.50551%0.506SS..THydrogen-bonded Turntrans92.1-7.6-178.300000116K81K81-G83 PolarHBondContact O-N 3.24Å
84A81.7Confident64.6Low6 Ų6100.2 Ų100.25%0.0551%0.509CS..  trans-55.9143.6175.200000112.1Q34 W38 D70 L80 K81Q34-A84 PolarHBondContact NE2-O 3.02Å; W38-A84 PolarHBondContact NE1-O 2.96Å; D70-A84 HydrophobicContact CB-CB 4.01Å; L80-A84 HydrophobicContact CB-CB 4.45Å; L80-A84 HydrophobicContact CD2-CB 4.18Å; K81-A84 WeakPolarHBondContact O-CB 3.38Å; K81-A84 PolarHBondContact O-N 3.14Å
85V83.4Confident63.1Low44 Ų44102.4 Ų102.427%0.26753%0.525SS..  trans-134.5134-179.4-179.60000108.1K37 A41 S87K37-V85 HydrophobicContact CB-CG1 4.24Å; K37-V85 HydrophobicContact CB-CG2 3.98Å; K37-V85 HydrophobicContact CD-CG2 4.06Å; A41-V85 HydrophobicContact CB-CG1 4.17Å; V85-S87 PolarHBondContact O-N 2.89Å
86P82.3Confident61.5Low3 Ų3102.5 Ų102.52%0.01953%0.526CS..  trans-62.2126.8178.526.7-34.1000109.8W38 A41 L61 H65 F66 L90W38-P86 HydrophobicContact CD2-CG 4.36Å; W38-P86 HydrophobicContact CG-CG 4.24Å; A41-P86 HydrophobicContact CB-CG 3.98Å; A41-P86 WeakPolarHBondContact CB-O 3.49Å; L61-P86 HydrophobicContact CD1-CB 4.17Å; L61-P86 HydrophobicContact CD1-CG 3.81Å; H65-P86 HydrophobicContact CB-CB 4.05Å; H65-P86 CarbonylContact O-C 3.5Å; H65-P86 WeakPolarHBondContact O-CA 3.49Å; H65-P86 WeakPolarHBondContact O-CB 3.44Å; F66-P86 HydrophobicContact CD1-CB 4.22Å; F66-P86 HydrophobicContact CE1-CB 3.8Å; F66-P86 HydrophobicContact CE1-CG 4.19Å; F66-P86 HydrophobicContact CE2-CB 4.26Å; F66-P86 HydrophobicContact CZ-CB 3.8Å; F66-P86 HydrophobicContact CZ-CG 4.19Å; P86-L90 HydrophobicContact CB-CD1 4.31Å
87S75.1Confident60Low73 Ų73100.5 Ų100.551%0.5152%0.522SS..  trans-132.4-12-171.756.40000113H65 V85H65-S87 PolarHBondContact O-N 3.04Å; V85-S87 PolarHBondContact O-N 2.89Å
88V64.1Low58.6Low35 Ų3598.6 Ų98.621%0.21252%0.521CS..SBendtrans-102.5126-172.7-175.30000111.4H65 Q67 L90H65-V88 WeakPolarHBondContact CA-O 3.49Å; H65-V88 PolarHBondContact ND1-O 3.33Å; H65-V88 VanDerWaalsContact ND1-O 3.15Å; H65-V88 PolarHBondContact O-N 2.9Å; Q67-V88 HydrophobicContact CG-CG2 3.92Å; V88-L90 PolarHBondContact O-N 3.39Å
89S58.2Low56.8Low93 Ų9399.9 Ų99.965%0.6554%0.538SS*.  trans45.857.4167.5-57.20000115.7H65H65-S89 PolarHBondContact ND1-O 3.42Å
90L60.3Low54.5Low15 Ų15103 Ų1038%0.07955%0.551CS.*  trans-88.40.4177.4-66.5168.3000114.1A7 A41 H65 P86 V88A7-L90 HydrophobicContact CB-CD2 3.98Å; A41-L90 HydrophobicContact CB-CD1 3.96Å; A41-L90 WeakPolarHBondContact O-CD1 3.37Å; H65-L90 HydrophobicContact CB-CD2 4.04Å; P86-L90 HydrophobicContact CB-CD1 4.31Å; V88-L90 PolarHBondContact O-N 3.39Å
91Y53.3Low51.9Low140 Ų140105.7 Ų105.755%0.54958%0.584SS.*  trans-136.4125.3176.9-60.2-86.2000111.5N43N43-Y91 WeakPolarHBondContact CB-OH 3.28Å; N43-Y91 PolarHBondContact ND2-OH 3.48Å
92K38.1Very low49.4Very low184 Ų184111.9 Ų111.980%0.861%0.611SS**  trans-122.7116149.5-75.3-165.6173.8-168.20107.2
93I31.7Very low47.2Very low146 Ų146106.2 Ų106.275%0.74960%0.604SS**PPolyproline II helixtrans-79.2127.1177.6-61.3168.4000107.8Q95I93-Q95 PolarHBondContact O-N 3.24Å
94P31.6Very low44.9Very low119 Ų119116 Ų11677%0.77363%0.625SS**PPolyproline II helixtrans-64.5124.5165.3-16.631000109.1
95Q28.2Very low42.3Very low200 Ų200124.2 Ų124.294%0.93566%0.663SS**PPolyproline II helixtrans-66.7136.8177.7-72.8175.7-29.100110.8I93I93-Q95 PolarHBondContact O-N 3.24Å
96G30.1Very low39.6Very low74 Ų74131.1 Ų131.176%0.76369%0.69SS**  trans101.982.1163.100000117
97V26.9Very low37Very low136 Ų136138.9 Ų138.982%0.82473%0.729SS**  -148.6127.3116.91740000107.3
98H28.8Very low34.8Very low167 Ų167142.8 Ų142.877%0.77374%0.743SS**  trans-100.7113.7-176.6-156.1-36.1000109.7
99L31Very low33.1Very low162 Ų162149.6 Ų149.685%0.84877%0.77SS**  trans-123.9128168-78.4171000110.3
100K29.2Very low31.9Very low196 Ų196153.3 Ų153.385%0.85278%0.777SS**  trans-88.3142.6-170.2-60169178.11740110.1
101G29.5Very low30.7Very low79 Ų79158.3 Ų158.381%0.81481%0.811SS**  trans167.28117300000116.3
102K28.4Very low29.7Very low216 Ų216159.4 Ų159.494%0.93983%0.825SS**  trans-45.4126.3-179.4-63166.4175.9177.40115.8
103A24.8Very low29.6Very low93 Ų93156.5 Ų156.577%0.76983%0.825SS**  trans-17392.613500000112.7
104R25.6Very low29.3Very low254 Ų254156.3 Ų156.396%0.95883%0.826SS**  trans-178.784.8150.8-103.9168.3-171.1-155.71.5112.9
105Q28Very low29Very low180 Ų180157.5 Ų157.584%0.84183%0.825SS**  trans-110.3153.9135.4-61.2175.1-16.200104.3
106K26.1Very low29Very low189 Ų189153.3 Ų153.382%0.82282%0.818SS**  cis-124.2171.38-62.6164.4176.7173.10106.8
107I27.9Very low28.9Very low166 Ų166158.2 Ų158.285%0.85182%0.821SS**  -161.8135.662.1-74.9157.2000108.5
108L28.6Very low28.9Very low154 Ų154160.5 Ų160.581%0.80682%0.823SS**  trans-149.3147157.9-173.175.3000108.7
109K29.4Very low28.8Very low179 Ų179158.9 Ų158.978%0.77883%0.825SS**  trans118.1108.9169-68.1177.3176.2-169.30110.5
110Q32.6Very low28.6Very low171 Ų171155 Ų15580%0.79982%0.816SS**  73.9148.865.2-78.3-170.3-24.100112.3
111P34.6Very low28.5Very low120 Ų120152.5 Ų152.578%0.77982%0.817SS**  cis-144.5-178.634.644.8-25.7000118.9
112L33.1Very low28.7Very low162 Ų162157.4 Ų157.485%0.84882%0.819SS**  trans-84.1170.1155.2-72.2161.7000109.9
113P34.8Very low28.7Very low123 Ų123153.2 Ų153.280%0.79981%0.807SS**  -143.9178.4127.539.4-27.1000112.7
114D26.1Very low29.1Very low143 Ų143156.6 Ų156.677%0.76581%0.806SS**  -164.8172.2-52.1-156-8.3000106.9
115N26.3Very low29.2Very low144 Ų144152.1 Ų152.177%0.7780%0.801SS**  trans70.7144.8174.7-62-24.7000117
116S28Very low29.5Very low112 Ų112154 Ų15478%0.78380%0.802SS**  cis-152.9176.2-1.337.40000113
117Q26.8Very low29.7Very low177 Ų177151 Ų15183%0.82781%0.805SS**  trans-70.5-177.2-160.2-62.7161.3-72.600118.5
118E26.5Very low30.2Very low183 Ų183151.3 Ų151.386%0.85581%0.808SS**  trans86.6144.3162.5-55.5-168.8172.100117.1
119V27.1Very low30.2Very low134 Ų134154.2 Ų154.281%0.81281%0.814SS**  cis174.2149.4-35.4137.60000104.6
120A27.4Very low30.3Very low80 Ų80152.1 Ų152.166%0.66182%0.816SS**  trans79.3129.4162.500000122.1
121T26.9Very low31Very low144 Ų144149 Ų14988%0.88381%0.811SS**  trans81.5149.7139.746.90000122.3
122E33.5Very low30.9Very low181 Ų181150.8 Ų150.885%0.84681%0.813SS**  trans-98-170.8-165-61.3170.9120.800112.6
123D27.6Very low31Very low128 Ų128151.7 Ų151.768%0.68482%0.815SS**  trans86.9108.5158.3-71.32.9000122.1
124H34.4Very low31Very low164 Ų164151.6 Ų151.676%0.75981%0.807SS**  35.4116.9127.9-52.6-55.4000120.5
125N27.9Very low31.6Very low161 Ų161147.1 Ų147.186%0.86180%0.795SS**  -159.8158.5111.7-130.8-39.9000115.7
126Y34Very low32.5Very low219 Ų219144.1 Ų144.186%0.85979%0.79SS**  trans-84.8142.7172.3-86.1-111.5000111.7
127S29.5Very low33.4Very low127 Ų127146.4 Ų146.489%0.88879%0.788SS**  -173.9148.3129.1-90.30000114.4
128L39.9Very low34.2Very low172 Ų172143.9 Ų143.990%0.90177%0.774SS**  trans-87.7126176.5-70.4158.5000111.4
129K28.3Very low35.2Very low214 Ų214140 Ų14093%0.9376%0.759SS**  trans-147.1122.3145.4-73.7-164.3179174.30111
130T30.8Very low36.5Very low136 Ų136136.2 Ų136.283%0.83474%0.742SS**  trans-86.6176.7163.715.90000110.3
131P47.8Very low37.6Very low106 Ų106138.5 Ų138.569%0.68874%0.739SS**  cis-130.1172.6-20.334.6-17.8000113.3
132L31.8Very low38.6Very low157 Ų157135 Ų13582%0.82272%0.717SS**  167152.1127.8-90158.5000113I134L132-I134 PolarHBondContact O-N 2.87Å
133M35.3Very low39.6Very low181 Ų181131.7 Ų131.789%0.89270%0.701SS**SBendtrans61.433.6161.4-63.8-163.771.700121.5
134I35.4Very low41.1Very low120 Ų120132.1 Ų132.162%0.61570%0.7SS**  trans-12556.1154.9-47.1176.9000109.7L132 K138L132-I134 PolarHBondContact O-N 2.87Å; I134-K138 HydrophobicContact CG2-CD 4.12Å; I134-K138 HydrophobicContact CG2-CG 4.39Å
135G38.9Very low41.7Very low50 Ų50130.5 Ų130.552%0.51569%0.694SS.*  trans-91.6-31.6-171.200000115.8L139G135-L139 WeakPolarHBondContact O-CB 3.07Å; G135-L139 WeakPolarHBondContact O-CD1 3.42Å
136A45Very low42.7Very low81 Ų81126.8 Ų126.867%0.66967%0.673SS**SBendtrans-85.2-56.7-167.200000113.9L139 A140A136-L139 WeakPolarHBondContact O-CB 3.38Å; A136-L139 PolarHBondContact O-N 3.21Å; A136-A140 PolarHBondContact O-N 3.32Å
137E47.2Very low43.6Very low160 Ų160121.9 Ų121.975%0.74866%0.658SS**Hα-helixtrans-70.8-40.2-169.4-62.7-178.8142.400112.8L139 A140 E141E137-L139 PolarHBondContact O-N 2.84Å; E137-A140 WeakPolarHBondContact O-CB 3.34Å; E137-A140 PolarHBondContact O-N 2.9Å; E137-A140 VanDerWaalsContact O-N 3.1Å; E137-E141 PolarHBondContact O-N 3.24Å; E137-E141 VanDerWaalsContact O-N 3.08Å
138K43.8Very low44.5Very low124 Ų124119.7 Ų119.754%0.53964%0.639SS.*Hα-helixtrans-65.6-27174.2-69.5-175.7178.6177.80112.5I134 V142I134-K138 HydrophobicContact CG2-CD 4.12Å; I134-K138 HydrophobicContact CG2-CG 4.39Å; K138-V142 VanDerWaalsContact O-CB 3.22Å; K138-V142 WeakPolarHBondContact O-CB 3.4Å; K138-V142 WeakPolarHBondContact O-CG2 3.5Å; K138-V142 PolarHBondContact O-N 3.37Å
139L47.4Very low44.7Very low100 Ų100113.6 Ų113.652%0.52461%0.611SS.*Hα-helixtrans-69.3-37.1172.3-107.7168.4000111.5G135 A136 E137 Q143G135-L139 WeakPolarHBondContact O-CB 3.07Å; G135-L139 WeakPolarHBondContact O-CD1 3.42Å; A136-L139 WeakPolarHBondContact O-CB 3.38Å; A136-L139 PolarHBondContact O-N 3.21Å; E137-L139 PolarHBondContact O-N 2.84Å; L139-Q143 WeakPolarHBondContact O-CB 3.4Å; L139-Q143 WeakPolarHBondContact O-CG 3.45Å; L139-Q143 PolarHBondContact O-N 3.07Å
140A52.9Low45.5Very low55 Ų55109.6 Ų109.646%0.45559%0.594SS.*Hα-helixtrans-66.8-45174.800000112.3A136 E137 Q143 Q144A136-A140 PolarHBondContact O-N 3.32Å; E137-A140 WeakPolarHBondContact O-CB 3.34Å; E137-A140 PolarHBondContact O-N 2.9Å; E137-A140 VanDerWaalsContact O-N 3.1Å; A140-Q143 PolarHBondContact O-N 3.13Å; A140-Q144 PolarHBondContact O-N 2.86Å
141E50.2Low46.3Very low128 Ų128110 Ų11060%0.59858%0.584SS**Hα-helixtrans-63.8-43.8174.2-76.7-164.9128.500112.3E137 Q143 Q144 M145E137-E141 PolarHBondContact O-N 3.24Å; E137-E141 VanDerWaalsContact O-N 3.08Å; E141-Q143 VanDerWaalsContact C-N 3.32Å; E141-Q143 PolarHBondContact O-N 3.22Å; E141-Q144 PolarHBondContact O-N 2.83Å; E141-M145 WeakPolarHBondContact O-CB 3.34Å; E141-M145 WeakPolarHBondContact O-CG 3.36Å; E141-M145 PolarHBondContact O-N 3.09Å
142V49.3Very low46.1Very low71 Ų71113.9 Ų113.943%0.4359%0.585SS.*Hα-helixtrans-67-33.8176.6170.60000111K138 L146K138-V142 VanDerWaalsContact O-CB 3.22Å; K138-V142 WeakPolarHBondContact O-CB 3.4Å; K138-V142 WeakPolarHBondContact O-CG2 3.5Å; K138-V142 PolarHBondContact O-N 3.37Å; V142-L146 HydrophobicContact CG1-CD1 3.88Å; V142-L146 HydrophobicContact CG1-CG 4.32Å; V142-L146 WeakPolarHBondContact O-CB 3.43Å; V142-L146 WeakPolarHBondContact O-CG 3.31Å; V142-L146 PolarHBondContact O-N 3.47Å
143Q53.8Low46.4Very low111 Ų111110.6 Ų110.652%0.51957%0.568SS.*Hα-helixtrans-68.6-40.5171.6-77.9175.84.900112.3L139 A140 E141 L146 Q147L139-Q143 WeakPolarHBondContact O-CB 3.4Å; L139-Q143 WeakPolarHBondContact O-CG 3.45Å; L139-Q143 PolarHBondContact O-N 3.07Å; A140-Q143 PolarHBondContact O-N 3.13Å; E141-Q143 VanDerWaalsContact C-N 3.32Å; E141-Q143 PolarHBondContact O-N 3.22Å; Q143-L146 CarbonylContact O-C 3.57Å; Q143-L146 PolarHBondContact O-N 3.01Å; Q143-Q147 WeakPolarHBondContact O-CG 3.31Å; Q143-Q147 PolarHBondContact O-N 3.33Å
144Q58.4Low46.7Very low138 Ų138106.6 Ų106.665%0.64555%0.549SS*.Hα-helixtrans-63.3-45.6171.9-91.3-169.1-2.100111.5A140 E141 L146 Q147 V148A140-Q144 PolarHBondContact O-N 2.86Å; E141-Q144 PolarHBondContact O-N 2.83Å; Q144-L146 VanDerWaalsContact C-N 3.31Å; Q144-L146 PolarHBondContact O-N 2.98Å; Q144-Q147 PolarHBondContact O-N 2.86Å; Q144-Q147 VanDerWaalsContact O-N 3.14Å; Q144-V148 WeakPolarHBondContact O-CG2 3.38Å; Q144-V148 PolarHBondContact O-N 3.11Å
145M48.3Very low47.1Very low129 Ų129104.7 Ų104.764%0.63555%0.547SS*.Hα-helixtrans-65.9-32.5174.9-73.7-149.9-73.500112.4E141 S149E141-M145 WeakPolarHBondContact O-CB 3.34Å; E141-M145 WeakPolarHBondContact O-CG 3.36Å; E141-M145 PolarHBondContact O-N 3.09Å; M145-S149 WeakPolarHBondContact O-CB 3.39Å; M145-S149 PolarHBondContact O-N 2.97Å; M145-S149 PolarHBondContact O-OG 3.08Å
146L49.7Very low47.1Very low83 Ų83105.8 Ų105.844%0.43554%0.543SS..Hα-helixtrans-69.8-34170.2-79.3168.6000112.1V142 Q143 Q144 S149 K150V142-L146 HydrophobicContact CG1-CD1 3.88Å; V142-L146 HydrophobicContact CG1-CG 4.32Å; V142-L146 WeakPolarHBondContact O-CB 3.43Å; V142-L146 WeakPolarHBondContact O-CG 3.31Å; V142-L146 PolarHBondContact O-N 3.47Å; Q143-L146 CarbonylContact O-C 3.57Å; Q143-L146 PolarHBondContact O-N 3.01Å; Q144-L146 VanDerWaalsContact C-N 3.31Å; Q144-L146 PolarHBondContact O-N 2.98Å; L146-S149 WeakPolarHBondContact CA-OG 3.32Å; L146-S149 PolarHBondContact O-OG 3.39Å; L146-K150 WeakPolarHBondContact O-CA 3.43Å; L146-K150 WeakPolarHBondContact O-CB 3.24Å; L146-K150 WeakPolarHBondContact O-CD 3.36Å; L146-K150 WeakPolarHBondContact O-CG 3.23Å; L146-K150 PolarHBondContact O-N 3.21Å
147Q51Low46.8Very low116 Ų116108.2 Ų108.254%0.54254%0.538SS..Hα-helixtrans-71.8-42172.6-74.5-168.517.500112.2Q143 Q144 K150 K151Q143-Q147 WeakPolarHBondContact O-CG 3.31Å; Q143-Q147 PolarHBondContact O-N 3.33Å; Q144-Q147 PolarHBondContact O-N 2.86Å; Q144-Q147 VanDerWaalsContact O-N 3.14Å; Q147-K150 PolarHBondContact O-N 3.1Å; Q147-K151 WeakPolarHBondContact O-CB 3.46Å; Q147-K151 VanDerWaalsContact O-CG 3.31Å; Q147-K151 WeakPolarHBondContact O-CG 3.45Å; Q147-K151 PolarHBondContact O-N 3.42Å
148V49.7Very low46.9Very low81 Ų81103.6 Ų103.649%0.49152%0.519SS..Hα-helixtrans-68.8-40.9177.2172.50000110.9Q144 K151 R152Q144-V148 WeakPolarHBondContact O-CG2 3.38Å; Q144-V148 PolarHBondContact O-N 3.11Å; V148-K151 PolarHBondContact O-N 3.5Å; V148-R152 WeakPolarHBondContact O-CG 3.48Å; V148-R152 PolarHBondContact O-N 3.43Å
149S43.6Very low46.8Very low44 Ų44105.4 Ų105.431%0.30852%0.523SS..Hα-helixtrans-70.3-37.5172.863.10000112M145 L146 R152 L153M145-S149 WeakPolarHBondContact O-CB 3.39Å; M145-S149 PolarHBondContact O-N 2.97Å; M145-S149 PolarHBondContact O-OG 3.08Å; L146-S149 WeakPolarHBondContact CA-OG 3.32Å; L146-S149 PolarHBondContact O-OG 3.39Å; S149-R152 CarbonylContact O-C 3.56Å; S149-R152 PolarHBondContact O-N 2.99Å; S149-L153 WeakPolarHBondContact O-CB 3.26Å; S149-L153 PolarHBondContact O-N 3.14Å
150K44.6Very low46.3Very low130 Ų130109.3 Ų109.357%0.56553%0.531SS*.Hα-helixtrans-59.9-44169.3-79.5169.6-177.4-178.70111.4L146 Q147 R152 L153 I154L146-K150 WeakPolarHBondContact O-CA 3.43Å; L146-K150 WeakPolarHBondContact O-CB 3.24Å; L146-K150 WeakPolarHBondContact O-CD 3.36Å; L146-K150 WeakPolarHBondContact O-CG 3.23Å; L146-K150 PolarHBondContact O-N 3.21Å; Q147-K150 PolarHBondContact O-N 3.1Å; K150-R152 PolarHBondContact O-N 3.27Å; K150-L153 CarbonylContact O-C 3.37Å; K150-L153 PolarHBondContact O-N 3.29Å; K150-I154 WeakPolarHBondContact O-CD1 3.37Å; K150-I154 VanDerWaalsContact O-CG1 3.24Å; K150-I154 WeakPolarHBondContact O-CG1 3.49Å; K150-I154 PolarHBondContact O-N 3.29Å
151K49.2Very low45.8Very low146 Ų146111.1 Ų111.164%0.63553%0.532SS*.Hα-helixtrans-61.9-40.9174.7-74.8172.8-179176.50112.3Q147 V148 S155Q147-K151 WeakPolarHBondContact O-CB 3.46Å; Q147-K151 VanDerWaalsContact O-CG 3.31Å; Q147-K151 WeakPolarHBondContact O-CG 3.45Å; Q147-K151 PolarHBondContact O-N 3.42Å; V148-K151 PolarHBondContact O-N 3.5Å; K151-S155 PolarHBondContact O-N 3.01Å
152R42.8Very low45.7Very low186 Ų186109 Ų10970%0.70252%0.523SS*.Hα-helixtrans-69.6-36172.3-73.9-178.7175.4177.10.3113V148 S149 K150 S155 V156V148-R152 WeakPolarHBondContact O-CG 3.48Å; V148-R152 PolarHBondContact O-N 3.43Å; S149-R152 CarbonylContact O-C 3.56Å; S149-R152 PolarHBondContact O-N 2.99Å; K150-R152 PolarHBondContact O-N 3.27Å; R152-S155 PolarHBondContact O-N 3.4Å; R152-V156 WeakPolarHBondContact O-CB 3.48Å; R152-V156 WeakPolarHBondContact O-CG2 3.33Å; R152-V156 PolarHBondContact O-N 3.43Å
153L37.9Very low45.4Very low89 Ų89113.9 Ų113.947%0.46654%0.539SS..Hα-helixtrans-71.1-31.2175.8-94.2147.6000111.9S149 K150 K157S149-L153 WeakPolarHBondContact O-CB 3.26Å; S149-L153 PolarHBondContact O-N 3.14Å; K150-L153 CarbonylContact O-C 3.37Å; K150-L153 PolarHBondContact O-N 3.29Å; L153-K157 WeakPolarHBondContact O-CA 3.3Å; L153-K157 WeakPolarHBondContact O-CB 3.45Å; L153-K157 WeakPolarHBondContact O-CG 3.45Å; L153-K157 PolarHBondContact O-N 3.07Å
154I41.8Very low44.8Very low96 Ų96117.2 Ų117.249%0.49255%0.551SS.*Hα-helixtrans-65.5-49.6169.8-68.8158.5000108.9K150 V156 K157 N158K150-I154 WeakPolarHBondContact O-CD1 3.37Å; K150-I154 VanDerWaalsContact O-CG1 3.24Å; K150-I154 WeakPolarHBondContact O-CG1 3.49Å; K150-I154 PolarHBondContact O-N 3.29Å; I154-V156 PolarHBondContact O-N 2.83Å; I154-K157 PolarHBondContact O-N 3.08Å; I154-N158 VanDerWaalsContact O-CB 3.31Å; I154-N158 WeakPolarHBondContact O-CB 3.17Å; I154-N158 PolarHBondContact O-N 3.35Å; I154-N158 PolarHBondContact O-OD1 2.97Å
155S42.7Very low44.2Very low81 Ų81116.7 Ų116.757%0.56654%0.543SS*.Hα-helixtrans-57-43.8175.5176.20000113.4K151 R152 Y159K151-S155 PolarHBondContact O-N 3.01Å; R152-S155 PolarHBondContact O-N 3.4Å; S155-Y159 PolarHBondContact O-N 2.86Å; S155-Y159 VanDerWaalsContact O-N 3.13Å
156V40.3Very low44Very low72 Ų72119.6 Ų119.644%0.43655%0.553SS.*Hα-helixtrans-80.8-31.1-178.8175.60000112.8R152 I154 R160R152-V156 WeakPolarHBondContact O-CB 3.48Å; R152-V156 WeakPolarHBondContact O-CG2 3.33Å; R152-V156 PolarHBondContact O-N 3.43Å; I154-V156 PolarHBondContact O-N 2.83Å; V156-R160 WeakPolarHBondContact O-CB 3.18Å; V156-R160 WeakPolarHBondContact O-CG 3.4Å; V156-R160 PolarHBondContact O-N 3.36Å
157K38.3Very low43.8Very low132 Ų132118.7 Ų118.757%0.57456%0.563SS**Hα-helixtrans-67.2-45.8169.5-78.6-177.1176.4-171.70109.9L153 I154 Y159 R160 M161L153-K157 WeakPolarHBondContact O-CA 3.3Å; L153-K157 WeakPolarHBondContact O-CB 3.45Å; L153-K157 WeakPolarHBondContact O-CG 3.45Å; L153-K157 PolarHBondContact O-N 3.07Å; I154-K157 PolarHBondContact O-N 3.08Å; K157-Y159 VanDerWaalsContact C-N 3.33Å; K157-Y159 PolarHBondContact O-N 3.28Å; K157-R160 CarbonylContact O-C 3.57Å; K157-R160 PolarHBondContact O-N 2.83Å; K157-R160 VanDerWaalsContact O-N 3.1Å; K157-M161 VanDerWaalsContact O-CB 3.23Å; K157-M161 WeakPolarHBondContact O-CB 3.3Å; K157-M161 WeakPolarHBondContact O-CG 3.07Å; K157-M161 PolarHBondContact O-N 2.98Å
158N48.2Very low43.7Very low64 Ų64116.4 Ų116.434%0.34256%0.555SS.*Hα-helixtrans-58.3-46.2177.1-6918.2000110.3I154 R160 M161 I162I154-N158 VanDerWaalsContact O-CB 3.31Å; I154-N158 WeakPolarHBondContact O-CB 3.17Å; I154-N158 PolarHBondContact O-N 3.35Å; I154-N158 PolarHBondContact O-OD1 2.97Å; N158-R160 PolarHBondContact O-N 2.91Å; N158-M161 PolarHBondContact O-N 3.28Å; N158-I162 WeakPolarHBondContact O-CB 3.36Å; N158-I162 WeakPolarHBondContact O-CD1 3.19Å; N158-I162 WeakPolarHBondContact O-CG1 3.37Å; N158-I162 PolarHBondContact O-N 3.4Å
159Y41.8Very low44.4Very low161 Ų161118.7 Ų118.763%0.63155%0.554SS**Hα-helixtrans-61.3-37.2175.5-164-99000113.9S155 K157 K163S155-Y159 PolarHBondContact O-N 2.86Å; S155-Y159 VanDerWaalsContact O-N 3.13Å; K157-Y159 VanDerWaalsContact C-N 3.33Å; K157-Y159 PolarHBondContact O-N 3.28Å; Y159-K163 PolarHBondContact O-N 3.43Å
160R38.3Very low45.7Very low183 Ų183117.7 Ų117.769%0.69155%0.545SS*.Hα-helixtrans-80.8-26177-73179.9175-176.4-1.4113.9V156 K157 N158 K164V156-R160 WeakPolarHBondContact O-CB 3.18Å; V156-R160 WeakPolarHBondContact O-CG 3.4Å; V156-R160 PolarHBondContact O-N 3.36Å; K157-R160 CarbonylContact O-C 3.57Å; K157-R160 PolarHBondContact O-N 2.83Å; K157-R160 VanDerWaalsContact O-N 3.1Å; N158-R160 PolarHBondContact O-N 2.91Å; R160-K164 WeakPolarHBondContact O-CB 3.4Å; R160-K164 PolarHBondContact O-N 2.8Å
161M42.7Very low47Very low93 Ų93111.7 Ų111.746%0.45852%0.52SS..Hα-helixtrans-77.3-44.7176.2-73.1-72.3-75.400110.6K157 N158 K163 K164 R165K157-M161 VanDerWaalsContact O-CB 3.23Å; K157-M161 WeakPolarHBondContact O-CB 3.3Å; K157-M161 WeakPolarHBondContact O-CG 3.07Å; K157-M161 PolarHBondContact O-N 2.98Å; N158-M161 PolarHBondContact O-N 3.28Å; M161-K163 PolarHBondContact O-N 3.44Å; M161-K164 CarbonylContact O-C 3.56Å; M161-K164 PolarHBondContact O-N 2.82Å; M161-R165 WeakPolarHBondContact O-CG 2.95Å; M161-R165 PolarHBondContact O-N 3.14Å
162I47.2Very low48.1Very low82 Ų82106.8 Ų106.842%0.42150%0.5SS..Hα-helixtrans-57.1-41172.4-68.4163.8000110.2N158 K164N158-I162 WeakPolarHBondContact O-CB 3.36Å; N158-I162 WeakPolarHBondContact O-CD1 3.19Å; N158-I162 WeakPolarHBondContact O-CG1 3.37Å; N158-I162 PolarHBondContact O-N 3.4Å; I162-K164 VanDerWaalsContact C-N 3.29Å; I162-K164 PolarHBondContact O-N 3.27Å
163K43.5Very low49.6Very low175 Ų17599.6 Ų99.676%0.76148%0.481SS*.THydrogen-bonded Turntrans-76.2-8.8176.3-145.3-175.3-177.2-1710115Y159 M161Y159-K163 PolarHBondContact O-N 3.43Å; M161-K163 PolarHBondContact O-N 3.44Å
164K41.3Very low51.4Low180 Ų18095.5 Ų95.578%0.78346%0.459SS*.THydrogen-bonded Turntrans-102.8-21.5174.6-88.4-166.4169.2-165.40113.5R160 M161 I162 K166R160-K164 WeakPolarHBondContact O-CB 3.4Å; R160-K164 PolarHBondContact O-N 2.8Å; M161-K164 CarbonylContact O-C 3.56Å; M161-K164 PolarHBondContact O-N 2.82Å; I162-K164 VanDerWaalsContact C-N 3.29Å; I162-K164 PolarHBondContact O-N 3.27Å; K164-K166 PolarHBondContact O-N 3.47Å
165R45.1Very low53Low127 Ų12793 Ų9348%0.47945%0.448SS..  trans-87.974.7173.6-69.2175.2169.5-168.8-1.3110.2M161 G167 L168 E176M161-R165 WeakPolarHBondContact O-CG 2.95Å; M161-R165 PolarHBondContact O-N 3.14Å; R165-G167 PolarHBondContact O-N 3.12Å; R165-L168 HydrophobicContact CB-CD1 4.22Å; R165-L168 HydrophobicContact CG-CD1 4.39Å; R165-E176 IonicContact NH1-OE2 3.2Å
166K43.7Very low54.5Low191 Ų19195.1 Ų95.183%0.8345%0.449SS*.THydrogen-bonded Turntrans-60.8131.2164-64.2-177.8176-174.70108.1K164K164-K166 PolarHBondContact O-N 3.47Å
167G46.8Very low56.1Low64 Ų6496 Ų9666%0.6645%0.449SS*.THydrogen-bonded Turntrans90.717175.600000118.8R165 E198R165-G167 PolarHBondContact O-N 3.12Å; G167-E198 PolarHBondContact N-OE1 2.83Å
168L47.6Very low57.7Low68 Ų6898.7 Ų98.736%0.35646%0.46SS..  trans-90.7123.9162.9-115.4147.2000109.1R165 L170 D172R165-L168 HydrophobicContact CB-CD1 4.22Å; R165-L168 HydrophobicContact CG-CD1 4.39Å; L168-L170 PolarHBondContact O-N 3.28Å; L168-D172 HydrophobicContact CD2-CB 3.76Å
169R64.1Low58.9Low129 Ų12998.9 Ų98.949%0.48746%0.461SS..  trans-64.7136177.8-48.7179.4176.1-155.40.9107.6I171 D172 A173 S193R169-I171 PolarHBondContact O-N 3.4Å; R169-D172 VanDerWaalsContact CB-OD2 3.26Å; R169-D172 WeakPolarHBondContact CB-OD2 3.44Å; R169-D172 WeakPolarHBondContact CG-OD2 3.31Å; R169-D172 WeakPolarHBondContact O-CB 3.42Å; R169-D172 PolarHBondContact O-N 3.42Å; R169-A173 PolarHBondContact O-N 3.03Å; R169-S193 PolarHBondContact NH1-O 2.91Å; R169-S193 VanDerWaalsContact NH1-O 3.16Å
170L72.1Confident60.5Low22 Ų2292.4 Ų92.412%0.11544%0.437CS..Hα-helixtrans-52.9-36.5-175.1178.266.9000112.6L168 A173 L174 W197 F215 V230 L234L168-L170 PolarHBondContact O-N 3.28Å; L170-A173 PolarHBondContact O-N 3.11Å; L170-L174 HydrophobicContact CG-CD1 4.42Å; L170-L174 WeakPolarHBondContact O-CG 3.07Å; L170-L174 PolarHBondContact O-N 2.98Å; L170-W197 HydrophobicContact CB-CD2 3.9Å; L170-W197 HydrophobicContact CB-CE3 4.33Å; L170-W197 HydrophobicContact CB-CG 4.28Å; L170-W197 HydrophobicContact CB-CZ2 4.38Å; L170-W197 HydrophobicContact CD2-CD2 4.16Å; L170-W197 HydrophobicContact CD2-CE3 3.72Å; L170-W197 HydrophobicContact CD2-CH2 4.14Å; L170-W197 HydrophobicContact CD2-CZ2 4.48Å; L170-W197 HydrophobicContact CD2-CZ3 3.72Å; L170-F215 HydrophobicContact CD2-CE1 3.94Å; L170-F215 HydrophobicContact CD2-CZ 3.65Å; L170-V230 HydrophobicContact CD2-CG1 4.08Å; L170-L234 HydrophobicContact CD2-CD1 3.68Å
171I72.4Confident62.3Low5 Ų586.5 Ų86.53%0.02642%0.424CS..Hα-helixtrans-62.4-46.1179.2-58.2169000110.6R169 A173 L174 V175 L180 E185 L188 R189R169-I171 PolarHBondContact O-N 3.4Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 3.3Å; I171-L174 WeakPolarHBondContact O-CB 3.29Å; I171-L174 PolarHBondContact O-N 2.75Å; I171-V175 HydrophobicContact CG2-CG2 4.36Å; I171-V175 VanDerWaalsContact O-CG2 3.28Å; I171-V175 WeakPolarHBondContact O-CG2 3.33Å; I171-V175 PolarHBondContact O-N 3.33Å; I171-L180 HydrophobicContact CG2-CD1 4.43Å; I171-E185 HydrophobicContact CG2-CG 4.37Å; I171-L188 HydrophobicContact CD1-CB 4.09Å; I171-L188 WeakPolarHBondContact CD1-O 3.48Å; I171-L188 HydrophobicContact CG1-CB 4.4Å; I171-R189 HydrophobicContact CD1-CG 4.42Å; I171-R189 HydrophobicContact CG2-CG 3.96Å
172D72.3Confident63.8Low43 Ų4390 Ų9023%0.2344%0.439CS..Hα-helixtrans-58.8-41.8-180-57.7-34.4000111.4L168 R169 L174 V175 E176 R189L168-D172 HydrophobicContact CD2-CB 3.76Å; R169-D172 VanDerWaalsContact CB-OD2 3.26Å; R169-D172 WeakPolarHBondContact CB-OD2 3.44Å; R169-D172 WeakPolarHBondContact CG-OD2 3.31Å; R169-D172 WeakPolarHBondContact O-CB 3.42Å; R169-D172 PolarHBondContact O-N 3.42Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 2.8Å; D172-V175 PolarHBondContact O-N 2.88Å; D172-E176 WeakPolarHBondContact O-CG 3.48Å; D172-E176 PolarHBondContact O-N 3.15Å; D172-R189 IonicContact OD1-CZ 2.81Å; D172-R189 IonicContact OD1-NH1 2.67Å; D172-R189 PolarHBondContact OD1-NH1 3.34Å; D172-R189 IonicContact OD1-NH2 2.72Å; D172-R189 PolarHBondContact OD1-NH2 3.46Å
173A72.6Confident64.9Low35 Ų3592.5 Ų92.529%0.28945%0.449SS..Hα-helixtrans-66.3-28.5176.400000113.5R169 L170 I171 E177R169-A173 PolarHBondContact O-N 3.03Å; L170-A173 PolarHBondContact O-N 3.11Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 3.3Å; A173-E177 VanDerWaalsContact O-CG 3.31Å; A173-E177 WeakPolarHBondContact O-CG 3.34Å; A173-E177 PolarHBondContact O-N 2.82Å
174L76.6Confident66.3Low3 Ų385.2 Ų85.22%0.01642%0.419CS..Hα-helixtrans-77.7-26.1174.8-66.1174.2000112.7L170 I171 D172 K178 L179 L180 V226 Y229 V230L170-L174 HydrophobicContact CG-CD1 4.42Å; L170-L174 WeakPolarHBondContact O-CG 3.07Å; L170-L174 PolarHBondContact O-N 2.98Å; I171-L174 WeakPolarHBondContact O-CB 3.29Å; I171-L174 PolarHBondContact O-N 2.75Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 2.8Å; L174-K178 PolarHBondContact O-N 3.15Å; L174-L179 HydrophobicContact CD2-CD1 4.18Å; L174-L179 PolarHBondContact O-N 2.93Å; L174-L180 HydrophobicContact CB-CD1 3.7Å; L174-L180 HydrophobicContact CB-CG 4.03Å; L174-L180 HydrophobicContact CD1-CD1 4.29Å; L174-V226 HydrophobicContact CD1-CG1 3.93Å; L174-V226 HydrophobicContact CD2-CG1 3.89Å; L174-V226 HydrophobicContact CG-CG1 4.45Å; L174-Y229 HydrophobicContact CD2-CD1 3.85Å; L174-Y229 HydrophobicContact CD2-CE1 3.97Å; L174-V230 HydrophobicContact CD1-CG2 3.83Å; L174-V230 HydrophobicContact CD2-CG2 3.78Å; L174-V230 HydrophobicContact CG-CG2 4.36Å
175V75.8Confident68.1Low44 Ų4478.6 Ų78.627%0.26739%0.391SS..Hα-helixtrans-78.9-44175.7176.20000110.5I171 D172 E177 K178 L180 E185I171-V175 HydrophobicContact CG2-CG2 4.36Å; I171-V175 VanDerWaalsContact O-CG2 3.28Å; I171-V175 WeakPolarHBondContact O-CG2 3.33Å; I171-V175 PolarHBondContact O-N 3.33Å; D172-V175 PolarHBondContact O-N 2.88Å; V175-E177 VanDerWaalsContact C-N 3.25Å; V175-E177 PolarHBondContact O-N 3.1Å; V175-K178 PolarHBondContact O-N 3.3Å; V175-L180 HydrophobicContact CG2-CD1 4.18Å; V175-E185 WeakPolarHBondContact CG1-OE2 3.38Å; V175-E185 HydrophobicContact CG2-CB 4.27Å; V175-E185 HydrophobicContact CG2-CG 3.66Å; V175-E185 WeakPolarHBondContact CG2-OE1 3.19Å; V175-E185 WeakPolarHBondContact CG2-OE2 3.4Å
176E74.7Confident69.5Low124 Ų12476.7 Ų76.758%0.57940%0.396SS*.Hα-helixtrans-53.2-42.2171.3-76.7-176.2-176.700111.9R165 D172 K178R165-E176 IonicContact NH1-OE2 3.2Å; D172-E176 WeakPolarHBondContact O-CG 3.48Å; D172-E176 PolarHBondContact O-N 3.15Å; E176-K178 VanDerWaalsContact C-N 3.26Å; E176-K178 PolarHBondContact O-N 3.35Å
177E73.6Confident71.1Confident92 Ų9269 Ų6943%0.4336%0.364SS..THydrogen-bonded Turntrans-80.62.3178.6-65.7-84174.100113.6A173 V175 L179A173-E177 VanDerWaalsContact O-CG 3.31Å; A173-E177 WeakPolarHBondContact O-CG 3.34Å; A173-E177 PolarHBondContact O-N 2.82Å; V175-E177 VanDerWaalsContact C-N 3.25Å; V175-E177 PolarHBondContact O-N 3.1Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 HydrophobicContact CB-CD1 3.92Å; E177-L179 HydrophobicContact CB-CG 3.87Å; E177-L179 PolarHBondContact O-N 2.95Å
178K71.2Confident72.6Confident188 Ų18866 Ų6682%0.81733%0.332SS*.THydrogen-bonded Turntrans52.837.5-178.6-59.8-174176.8-1740114.2L174 V175 E176L174-K178 PolarHBondContact O-N 3.15Å; V175-K178 PolarHBondContact O-N 3.3Å; E176-K178 VanDerWaalsContact C-N 3.26Å; E176-K178 PolarHBondContact O-N 3.35Å
179L73.8Confident74Confident67 Ų6766.2 Ų66.235%0.35133%0.329SS..  trans-92.4-18.9-176.1-68.2179.2000113.8L174 E177 V226 Y229L174-L179 HydrophobicContact CD2-CD1 4.18Å; L174-L179 PolarHBondContact O-N 2.93Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 HydrophobicContact CB-CD1 3.92Å; E177-L179 HydrophobicContact CB-CG 3.87Å; E177-L179 PolarHBondContact O-N 2.95Å; L179-V226 HydrophobicContact CB-CG2 4.05Å; L179-V226 WeakPolarHBondContact O-CG2 3.33Å; L179-Y229 HydrophobicContact CD1-CD1 3.64Å; L179-Y229 HydrophobicContact CD1-CD2 4.27Å; L179-Y229 HydrophobicContact CD1-CE1 3.76Å; L179-Y229 HydrophobicContact CD1-CE2 4.35Å; L179-Y229 HydrophobicContact CD1-CG 3.91Å
180L75.2Confident74.4Confident26 Ų2660.7 Ų60.714%0.13631%0.311CS..SBendtrans-101.8152.5177.3-65.7172.5000110.9I171 L174 V175 L188 V226I171-L180 HydrophobicContact CG2-CD1 4.43Å; L174-L180 HydrophobicContact CB-CD1 3.7Å; L174-L180 HydrophobicContact CB-CG 4.03Å; L174-L180 HydrophobicContact CD1-CD1 4.29Å; V175-L180 HydrophobicContact CG2-CD1 4.18Å; L180-L188 HydrophobicContact CD1-CD1 4.04Å; L180-L188 HydrophobicContact CD2-CD1 3.91Å; L180-V226 HydrophobicContact CD2-CG1 4.18Å; L180-V226 HydrophobicContact CD2-CG2 4.34Å
181S75.1Confident74.6Confident59 Ų5960.5 Ų60.541%0.41331%0.309SS..  trans-84.2154.6159.566.40000109.9E183 T184 E185S181-E183 PolarHBondContact O-N 2.92Å; S181-T184 PolarHBondContact N-OG1 3.24Å; S181-T184 CarbonylContact O-C 3.49Å; S181-T184 WeakPolarHBondContact O-CA 3.43Å; S181-T184 PolarHBondContact O-N 2.77Å; S181-T184 PolarHBondContact O-OG1 3.32Å; S181-T184 WeakPolarHBondContact OG-CG2 3.39Å; S181-T184 PolarHBondContact OG-N 2.77Å; S181-T184 PolarHBondContact OG-OG1 2.87Å; S181-E185 PolarHBondContact O-N 3.03Å
182E74.2Confident74.7Confident165 Ų16560.5 Ų60.577%0.77131%0.309SS*.Hα-helixtrans-49.9-43.9177.3-64168.2-172.100112T184 E185 C186E182-T184 VanDerWaalsContact C-N 3.35Å; E182-T184 PolarHBondContact O-N 3.06Å; E182-E185 PolarHBondContact O-N 3.25Å; E182-C186 PolarHBondContact O-N 3.38Å; E182-C186 PolarHBondContact O-SG 3.31Å; E182-C186 VanDerWaalsContact O-SG 3.36Å
183E70.6Confident74.5Confident136 Ų13660.4 Ų60.464%0.63631%0.312SS*.Hα-helixtrans-59.1-41.8175.5-59.3-179.7143.500112.9S181 L187S181-E183 PolarHBondContact O-N 2.92Å; E183-L187 WeakPolarHBondContact O-CB 3.44Å; E183-L187 PolarHBondContact O-N 3.43Å; E183-L187 VanDerWaalsContact O-N 3.15Å
184T74.6Confident74.2Confident21 Ų2164.9 Ų64.913%0.12933%0.331CS..Hα-helixtrans-77-30.2178.858.50000112.8S181 E182 L188 C222S181-T184 PolarHBondContact N-OG1 3.24Å; S181-T184 CarbonylContact O-C 3.49Å; S181-T184 WeakPolarHBondContact O-CA 3.43Å; S181-T184 PolarHBondContact O-N 2.77Å; S181-T184 PolarHBondContact O-OG1 3.32Å; S181-T184 WeakPolarHBondContact OG-CG2 3.39Å; S181-T184 PolarHBondContact OG-N 2.77Å; S181-T184 PolarHBondContact OG-OG1 2.87Å; E182-T184 VanDerWaalsContact C-N 3.35Å; E182-T184 PolarHBondContact O-N 3.06Å; T184-L188 WeakPolarHBondContact O-CB 3.4Å; T184-L188 VanDerWaalsContact O-CG 3.22Å; T184-L188 WeakPolarHBondContact O-CG 3.34Å; T184-L188 PolarHBondContact O-N 2.88Å; T184-C222 HydrophobicContact CG2-CB 3.76Å
185E78.1Confident73.9Confident42 Ų4265.5 Ų65.520%0.19633%0.333CS..Hα-helixtrans-64-53.9171.3177179.6179.400110.3I171 V175 S181 E182 L187 L188 R189I171-E185 HydrophobicContact CG2-CG 4.37Å; V175-E185 WeakPolarHBondContact CG1-OE2 3.38Å; V175-E185 HydrophobicContact CG2-CB 4.27Å; V175-E185 HydrophobicContact CG2-CG 3.66Å; V175-E185 WeakPolarHBondContact CG2-OE1 3.19Å; V175-E185 WeakPolarHBondContact CG2-OE2 3.4Å; S181-E185 PolarHBondContact O-N 3.03Å; E182-E185 PolarHBondContact O-N 3.25Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 2.89Å; E185-L188 PolarHBondContact O-N 2.99Å; E185-L188 VanDerWaalsContact O-N 3.13Å; E185-R189 HydrophobicContact CG-CG 4.31Å; E185-R189 WeakPolarHBondContact O-CG 3.14Å; E185-R189 PolarHBondContact O-N 2.99Å; E185-R189 IonicContact OE1-CZ 2.74Å; E185-R189 IonicContact OE1-NE 3.88Å; E185-R189 PolarHBondContact OE1-NE 2.98Å; E185-R189 IonicContact OE1-NH2 2.82Å; E185-R189 PolarHBondContact OE1-NH2 3.41Å
186C74.6Confident73.5Confident86 Ų8670 Ų7058%0.58135%0.349SS*.Hα-helixtrans-56.7-43.3178.9-68.80000111.7E182 R189 A190E182-C186 PolarHBondContact O-N 3.38Å; E182-C186 PolarHBondContact O-SG 3.31Å; E182-C186 VanDerWaalsContact O-SG 3.36Å; C186-R189 PolarHBondContact O-N 3.27Å; C186-A190 VanDerWaalsContact O-CB 3.24Å; C186-A190 WeakPolarHBondContact O-CB 3.08Å; C186-A190 PolarHBondContact O-N 3.47Å
187L77.6Confident73.1Confident30 Ų3065.8 Ų65.816%0.15733%0.328CS..Hα-helixtrans-61.9-45.7176.2-173.3160.2000112.2E183 E185 Q191 T218 M303E183-L187 WeakPolarHBondContact O-CB 3.44Å; E183-L187 PolarHBondContact O-N 3.43Å; E183-L187 VanDerWaalsContact O-N 3.15Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 2.89Å; L187-Q191 WeakPolarHBondContact O-CB 3.45Å; L187-Q191 WeakPolarHBondContact O-CG 3.32Å; L187-Q191 PolarHBondContact O-N 3.37Å; L187-Q191 VanDerWaalsContact O-N 3.1Å; L187-T218 HydrophobicContact CD2-CG2 3.4Å; L187-M303 HydrophobicContact CD1-CE 3.73Å; L187-M303 HydrophobicContact CD1-SD 4.13Å
188L78.3Confident72.4Confident0 Ų068.3 Ų68.30%034%0.34CS..Hα-helixtrans-69.6-34.8179.7-72173.5000112.3I171 L180 T184 E185 F192 F215 T218 L219I171-L188 HydrophobicContact CD1-CB 4.09Å; I171-L188 WeakPolarHBondContact CD1-O 3.48Å; I171-L188 HydrophobicContact CG1-CB 4.4Å; L180-L188 HydrophobicContact CD1-CD1 4.04Å; L180-L188 HydrophobicContact CD2-CD1 3.91Å; T184-L188 WeakPolarHBondContact O-CB 3.4Å; T184-L188 VanDerWaalsContact O-CG 3.22Å; T184-L188 WeakPolarHBondContact O-CG 3.34Å; T184-L188 PolarHBondContact O-N 2.88Å; E185-L188 PolarHBondContact O-N 2.99Å; E185-L188 VanDerWaalsContact O-N 3.13Å; L188-F192 HydrophobicContact CD2-CD2 3.96Å; L188-F192 HydrophobicContact CD2-CE2 4.07Å; L188-F192 WeakPolarHBondContact O-CA 3.47Å; L188-F192 WeakPolarHBondContact O-CB 3.43Å; L188-F192 PolarHBondContact O-N 2.77Å; L188-F215 HydrophobicContact CD2-CD2 4.21Å; L188-F215 HydrophobicContact CD2-CE2 4.07Å; L188-T218 HydrophobicContact CD2-CG2 3.93Å; L188-L219 HydrophobicContact CD1-CD1 3.92Å
189R76.8Confident71.6Confident73 Ų7365.7 Ų65.728%0.27533%0.334SS..Hα-helixtrans-65.4-49.6173.1-70.6-174.9-175.1-73.2-2110.9I171 D172 E185 C186 Q191 F192 S193I171-R189 HydrophobicContact CD1-CG 4.42Å; I171-R189 HydrophobicContact CG2-CG 3.96Å; D172-R189 IonicContact OD1-CZ 2.81Å; D172-R189 IonicContact OD1-NH1 2.67Å; D172-R189 PolarHBondContact OD1-NH1 3.34Å; D172-R189 IonicContact OD1-NH2 2.72Å; D172-R189 PolarHBondContact OD1-NH2 3.46Å; E185-R189 HydrophobicContact CG-CG 4.31Å; E185-R189 WeakPolarHBondContact O-CG 3.14Å; E185-R189 PolarHBondContact O-N 2.99Å; E185-R189 IonicContact OE1-CZ 2.74Å; E185-R189 IonicContact OE1-NE 3.88Å; E185-R189 PolarHBondContact OE1-NE 2.98Å; E185-R189 IonicContact OE1-NH2 2.82Å; E185-R189 PolarHBondContact OE1-NH2 3.41Å; C186-R189 PolarHBondContact O-N 3.27Å; R189-Q191 VanDerWaalsContact C-N 3.27Å; R189-Q191 PolarHBondContact O-N 2.96Å; R189-F192 PolarHBondContact O-N 2.93Å; R189-S193 WeakPolarHBondContact O-CA 3.29Å; R189-S193 WeakPolarHBondContact O-CB 3.31Å; R189-S193 PolarHBondContact O-N 3.16Å
190A73.5Confident71Confident13 Ų1365.9 Ų65.911%0.10733%0.331CS..Hα-helixtrans-62.6-28.1-179.800000114.5C186 E314C186-A190 VanDerWaalsContact O-CB 3.24Å; C186-A190 WeakPolarHBondContact O-CB 3.08Å; C186-A190 PolarHBondContact O-N 3.47Å; A190-E314 WeakPolarHBondContact CA-OE2 3.48Å; A190-E314 HydrophobicContact CB-CB 3.66Å
191Q74.4Confident70.4Confident19 Ų1968.2 Ų68.29%0.08934%0.343CS..Hα-helixtrans-96.4-25.7178.9-70.2-175.3-6.300114.5L187 R189 M303 L310 T315L187-Q191 WeakPolarHBondContact O-CB 3.45Å; L187-Q191 WeakPolarHBondContact O-CG 3.32Å; L187-Q191 PolarHBondContact O-N 3.37Å; L187-Q191 VanDerWaalsContact O-N 3.1Å; R189-Q191 VanDerWaalsContact C-N 3.27Å; R189-Q191 PolarHBondContact O-N 2.96Å; Q191-M303 PolarHBondContact NE2-SD 3.1Å; Q191-L310 HydrophobicContact CB-CD1 4.14Å; Q191-T315 HydrophobicContact CG-CG2 4.42Å
192F76.3Confident70Confident4 Ų465.9 Ų65.92%0.01833%0.326CS..Hα-helixtrans-138.522.8-168.2-52.5-78000113.9L188 R189 D194 F195 W197 Q214 F215 T218 L310L188-F192 HydrophobicContact CD2-CD2 3.96Å; L188-F192 HydrophobicContact CD2-CE2 4.07Å; L188-F192 WeakPolarHBondContact O-CA 3.47Å; L188-F192 WeakPolarHBondContact O-CB 3.43Å; L188-F192 PolarHBondContact O-N 2.77Å; R189-F192 PolarHBondContact O-N 2.93Å; F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.48Å; F192-F195 HydrophobicContact CB-CB 3.98Å; F192-F195 HydrophobicContact CD1-CB 4.47Å; F192-F195 WeakPolarHBondContact O-CB 3.3Å; F192-F195 PolarHBondContact O-N 3.34Å; F192-W197 HydrophobicContact CB-CZ2 4.29Å; F192-Q214 HydrophobicContact CE1-CB 4.3Å; F192-Q214 HydrophobicContact CZ-CB 4.18Å; F192-F215 HydrophobicContact CD1-CB 4.04Å; F192-F215 HydrophobicContact CD1-CD2 4.4Å; F192-F215 AromaticContact CD2-CD2 3.9Å; F192-F215 HydrophobicContact CD2-CD2 3.9Å; F192-F215 HydrophobicContact CE1-CB 3.67Å; F192-F215 HydrophobicContact CE2-CB 4.37Å; F192-F215 HydrophobicContact CE2-CD2 4.1Å; F192-F215 HydrophobicContact CG-CD2 4.07Å; F192-F215 VanDerWaalsContact CZ-CA 3.42Å; F192-F215 HydrophobicContact CZ-CB 3.88Å; F192-F215 HydrophobicContact CZ-CD2 4.44Å; F192-T218 HydrophobicContact CE2-CG2 4.38Å; F192-L310 HydrophobicContact CD1-CD1 4.22Å; F192-L310 HydrophobicContact CE1-CD1 3.47Å; F192-L310 VanDerWaalsContact CE1-CD1 3.47Å; F192-L310 HydrophobicContact CZ-CD1 3.63Å
193S68.2Low69.2Low41 Ų4166.2 Ų66.229%0.28732%0.32SS..THydrogen-bonded Turntrans-49-47.1175.446.60000113.2R169 R189R169-S193 PolarHBondContact NH1-O 2.91Å; R169-S193 VanDerWaalsContact NH1-O 3.16Å; R189-S193 WeakPolarHBondContact O-CA 3.29Å; R189-S193 WeakPolarHBondContact O-CB 3.31Å; R189-S193 PolarHBondContact O-N 3.16Å
194D66.3Low68.8Low129 Ų12964.8 Ų64.869%0.6931%0.313SS*.THydrogen-bonded Turntrans-96.52.6-174.8-63.5-39.4000113.6F192 K196F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.48Å; D194-K196 WeakPolarHBondContact O-CG 3.35Å; D194-K196 PolarHBondContact O-N 2.94Å; D194-K196 VanDerWaalsContact O-N 3.14Å
195F69.8Low67.9Low16 Ų1667.6 Ų67.67%0.0733%0.331CS..  trans-67.3115.3-175-172.8-93.5000111.2F192 W197 Y200 W202 E211 M212F192-F195 HydrophobicContact CB-CB 3.98Å; F192-F195 HydrophobicContact CD1-CB 4.47Å; F192-F195 WeakPolarHBondContact O-CB 3.3Å; F192-F195 PolarHBondContact O-N 3.34Å; F195-W197 VanDerWaalsContact C-N 3.35Å; F195-W197 HydrophobicContact CB-CH2 4.46Å; F195-W197 HydrophobicContact CB-CZ2 4.05Å; F195-W197 AromaticContact CD1-CD2 3.6Å; F195-W197 HydrophobicContact CD1-CD2 3.6Å; F195-W197 AromaticContact CD1-CE2 3.69Å; F195-W197 AromaticContact CD1-CE3 3.48Å; F195-W197 HydrophobicContact CD1-CE3 3.48Å; F195-W197 VanDerWaalsContact CD1-CE3 3.48Å; F195-W197 HydrophobicContact CD1-CG 4.3Å; F195-W197 AromaticContact CD1-CH2 3.48Å; F195-W197 HydrophobicContact CD1-CH2 3.48Å; F195-W197 VanDerWaalsContact CD1-CH2 3.48Å; F195-W197 AromaticContact CD1-CZ2 3.65Å; F195-W197 HydrophobicContact CD1-CZ2 3.65Å; F195-W197 AromaticContact CD1-CZ3 3.42Å; F195-W197 HydrophobicContact CD1-CZ3 3.42Å; F195-W197 VanDerWaalsContact CD1-CZ3 3.42Å; F195-W197 HydrophobicContact CE1-CD2 4.1Å; F195-W197 AromaticContact CE1-CE3 3.59Å; F195-W197 HydrophobicContact CE1-CE3 3.59Å; F195-W197 HydrophobicContact CE1-CH2 4.1Å; F195-W197 AromaticContact CE1-CZ3 3.58Å; F195-W197 HydrophobicContact CE1-CZ3 3.58Å; F195-W197 HydrophobicContact CG-CH2 4.22Å; F195-W197 HydrophobicContact CG-CZ2 4.24Å; F195-W197 PolarHBondContact O-N 2.98Å; F195-W197 PolarHBondContact O-NE1 2.98Å; F195-W197 VanDerWaalsContact O-NE1 3.08Å; F195-Y200 HydrophobicContact CD2-CE2 4.47Å; F195-Y200 AromaticContact CE1-CD2 3.89Å; F195-Y200 HydrophobicContact CE1-CD2 3.89Å; F195-Y200 AromaticContact CE1-CE2 3.98Å; F195-Y200 HydrophobicContact CE1-CE2 3.98Å; F195-Y200 HydrophobicContact CE2-CD2 4.3Å; F195-Y200 AromaticContact CE2-CE2 3.72Å; F195-Y200 HydrophobicContact CE2-CE2 3.72Å; F195-Y200 AromaticContact CZ-CD2 3.56Å; F195-Y200 HydrophobicContact CZ-CD2 3.56Å; F195-Y200 AromaticContact CZ-CE2 3.44Å; F195-Y200 HydrophobicContact CZ-CE2 3.44Å; F195-Y200 VanDerWaalsContact CZ-CE2 3.44Å; F195-Y200 HydrophobicContact CZ-CG 4.32Å; F195-W202 AromaticContact CE1-CZ2 3.97Å; F195-W202 HydrophobicContact CE1-CZ2 3.97Å; F195-W202 HydrophobicContact CZ-CZ2 4.2Å; F195-E211 HydrophobicContact CD2-CB 3.98Å; F195-E211 HydrophobicContact CE2-CB 3.55Å; F195-E211 WeakPolarHBondContact CE2-OE2 3.37Å; F195-M212 HydrophobicContact CE2-CG 4.44Å; F195-M212 HydrophobicContact CZ-CG 3.76Å
196K67.3Low66.7Low139 Ų13972.9 Ų72.960%0.60436%0.36SS*.  trans-8373.2-170.2-63.7-176.5-176.7170.80112.4D194 E198 L199 Y200D194-K196 WeakPolarHBondContact O-CG 3.35Å; D194-K196 PolarHBondContact O-N 2.94Å; D194-K196 VanDerWaalsContact O-N 3.14Å; K196-E198 PolarHBondContact O-N 2.6Å; K196-L199 HydrophobicContact CB-CD1 3.79Å; K196-L199 HydrophobicContact CB-CG 4.11Å; K196-L199 HydrophobicContact CD-CD1 3.75Å; K196-L199 HydrophobicContact CG-CD1 4.39Å; K196-L199 PolarHBondContact O-N 2.97Å; K196-Y200 WeakPolarHBondContact O-CD2 3.45Å; K196-Y200 WeakPolarHBondContact O-CE2 3.26Å
197W66.6Low66.2Low35 Ų3574.8 Ų74.813%0.13336%0.36CS..G310 helixtrans-42-37.5-179.2-5297.9000115.3L170 F192 F195 L199 W202 F215 L234L170-W197 HydrophobicContact CB-CD2 3.9Å; L170-W197 HydrophobicContact CB-CE3 4.33Å; L170-W197 HydrophobicContact CB-CG 4.28Å; L170-W197 HydrophobicContact CB-CZ2 4.38Å; L170-W197 HydrophobicContact CD2-CD2 4.16Å; L170-W197 HydrophobicContact CD2-CE3 3.72Å; L170-W197 HydrophobicContact CD2-CH2 4.14Å; L170-W197 HydrophobicContact CD2-CZ2 4.48Å; L170-W197 HydrophobicContact CD2-CZ3 3.72Å; F192-W197 HydrophobicContact CB-CZ2 4.29Å; F195-W197 VanDerWaalsContact C-N 3.35Å; F195-W197 HydrophobicContact CB-CH2 4.46Å; F195-W197 HydrophobicContact CB-CZ2 4.05Å; F195-W197 AromaticContact CD1-CD2 3.6Å; F195-W197 HydrophobicContact CD1-CD2 3.6Å; F195-W197 AromaticContact CD1-CE2 3.69Å; F195-W197 AromaticContact CD1-CE3 3.48Å; F195-W197 HydrophobicContact CD1-CE3 3.48Å; F195-W197 VanDerWaalsContact CD1-CE3 3.48Å; F195-W197 HydrophobicContact CD1-CG 4.3Å; F195-W197 AromaticContact CD1-CH2 3.48Å; F195-W197 HydrophobicContact CD1-CH2 3.48Å; F195-W197 VanDerWaalsContact CD1-CH2 3.48Å; F195-W197 AromaticContact CD1-CZ2 3.65Å; F195-W197 HydrophobicContact CD1-CZ2 3.65Å; F195-W197 AromaticContact CD1-CZ3 3.42Å; F195-W197 HydrophobicContact CD1-CZ3 3.42Å; F195-W197 VanDerWaalsContact CD1-CZ3 3.42Å; F195-W197 HydrophobicContact CE1-CD2 4.1Å; F195-W197 AromaticContact CE1-CE3 3.59Å; F195-W197 HydrophobicContact CE1-CE3 3.59Å; F195-W197 HydrophobicContact CE1-CH2 4.1Å; F195-W197 AromaticContact CE1-CZ3 3.58Å; F195-W197 HydrophobicContact CE1-CZ3 3.58Å; F195-W197 HydrophobicContact CG-CH2 4.22Å; F195-W197 HydrophobicContact CG-CZ2 4.24Å; F195-W197 PolarHBondContact O-N 2.98Å; F195-W197 PolarHBondContact O-NE1 2.98Å; F195-W197 VanDerWaalsContact O-NE1 3.08Å; W197-L199 PolarHBondContact O-N 3.36Å; W197-W202 HydrophobicContact CE3-CZ2 4.46Å; W197-W202 HydrophobicContact CZ3-CZ2 4.31Å; W197-F215 AromaticContact CH2-CD1 3.82Å; W197-F215 HydrophobicContact CH2-CD1 3.82Å; W197-F215 AromaticContact CH2-CD2 3.52Å; W197-F215 HydrophobicContact CH2-CD2 3.52Å; W197-F215 AromaticContact CH2-CE1 3.76Å; W197-F215 HydrophobicContact CH2-CE1 3.76Å; W197-F215 AromaticContact CH2-CE2 3.45Å; W197-F215 HydrophobicContact CH2-CE2 3.45Å; W197-F215 VanDerWaalsContact CH2-CE2 3.45Å; W197-F215 AromaticContact CH2-CG 3.69Å; W197-F215 HydrophobicContact CH2-CG 3.69Å; W197-F215 AromaticContact CH2-CZ 3.57Å; W197-F215 HydrophobicContact CH2-CZ 3.57Å; W197-F215 HydrophobicContact CZ2-CE2 4.34Å; W197-F215 AromaticContact CZ3-CD1 3.57Å; W197-F215 HydrophobicContact CZ3-CD1 3.57Å; W197-F215 HydrophobicContact CZ3-CD2 4.17Å; W197-F215 AromaticContact CZ3-CE1 3.48Å; W197-F215 HydrophobicContact CZ3-CE1 3.48Å; W197-F215 VanDerWaalsContact CZ3-CE1 3.48Å; W197-F215 HydrophobicContact CZ3-CE2 4.09Å; W197-F215 AromaticContact CZ3-CG 3.91Å; W197-F215 HydrophobicContact CZ3-CG 3.91Å; W197-F215 AromaticContact CZ3-CZ 3.74Å; W197-F215 HydrophobicContact CZ3-CZ 3.74Å; W197-L234 HydrophobicContact CE3-CD1 4.14Å; W197-L234 HydrophobicContact CZ3-CD1 4.47Å
198E58.3Low66.1Low146 Ų14673.9 Ų73.968%0.68236%0.355SS*.G310 helixtrans-76.2-16.8-173.4-56.7-169.416400114.1G167 K196G167-E198 PolarHBondContact N-OE1 2.83Å; K196-E198 PolarHBondContact O-N 2.6Å
199L55Low66.3Low133 Ų13376.2 Ų76.270%0.69637%0.369SS*.G310 helixtrans-87.2-18.5-178.5-65179.1000114K196 W197K196-L199 HydrophobicContact CB-CD1 3.79Å; K196-L199 HydrophobicContact CB-CG 4.11Å; K196-L199 HydrophobicContact CD-CD1 3.75Å; K196-L199 HydrophobicContact CG-CD1 4.39Å; K196-L199 PolarHBondContact O-N 2.97Å; W197-L199 PolarHBondContact O-N 3.36Å
200Y59.7Low66.4Low70 Ų7076.6 Ų76.628%0.27538%0.38SS..  trans-100.7126-170.9-57.5-80.8000113.1F195 K196 W202 T209 E211 M212F195-Y200 HydrophobicContact CD2-CE2 4.47Å; F195-Y200 AromaticContact CE1-CD2 3.89Å; F195-Y200 HydrophobicContact CE1-CD2 3.89Å; F195-Y200 AromaticContact CE1-CE2 3.98Å; F195-Y200 HydrophobicContact CE1-CE2 3.98Å; F195-Y200 HydrophobicContact CE2-CD2 4.3Å; F195-Y200 AromaticContact CE2-CE2 3.72Å; F195-Y200 HydrophobicContact CE2-CE2 3.72Å; F195-Y200 AromaticContact CZ-CD2 3.56Å; F195-Y200 HydrophobicContact CZ-CD2 3.56Å; F195-Y200 AromaticContact CZ-CE2 3.44Å; F195-Y200 HydrophobicContact CZ-CE2 3.44Å; F195-Y200 VanDerWaalsContact CZ-CE2 3.44Å; F195-Y200 HydrophobicContact CZ-CG 4.32Å; K196-Y200 WeakPolarHBondContact O-CD2 3.45Å; K196-Y200 WeakPolarHBondContact O-CE2 3.26Å; Y200-W202 PolarHBondContact O-N 3.48Å; Y200-T209 HydrophobicContact CD1-CG2 4.27Å; Y200-T209 HydrophobicContact CE1-CG2 3.95Å; Y200-E211 PolarHBondContact OH-OE2 3.31Å; Y200-M212 HydrophobicContact CD1-CG 4.36Å; Y200-M212 HydrophobicContact CD1-SD 3.71Å; Y200-M212 HydrophobicContact CG-CE 4.38Å; Y200-M212 HydrophobicContact CG-CG 4.35Å; Y200-M212 HydrophobicContact CG-SD 3.94Å
201N62.4Low66.6Low75 Ų7579.7 Ų79.740%0.40139%0.392SS..  trans-84.586174.2-174.728.9000110.8R203N201-R203 PolarHBondContact O-N 2.9Å; N201-R203 WeakPolarHBondContact OD1-CD 3.44Å; N201-R203 WeakPolarHBondContact OD1-CG 3.37Å; N201-R203 PolarHBondContact OD1-NE 2.65Å
202W67.2Low66.9Low11 Ų1179 Ų794%0.04239%0.389CS..THydrogen-bonded Turntrans-62.123178-62.881.3000115.4F195 W197 Y200 Y208 M212 F215 L234 K235 L236F195-W202 AromaticContact CE1-CZ2 3.97Å; F195-W202 HydrophobicContact CE1-CZ2 3.97Å; F195-W202 HydrophobicContact CZ-CZ2 4.2Å; W197-W202 HydrophobicContact CE3-CZ2 4.46Å; W197-W202 HydrophobicContact CZ3-CZ2 4.31Å; Y200-W202 PolarHBondContact O-N 3.48Å; W202-Y208 HydrophobicContact CD2-CE1 4.39Å; W202-Y208 HydrophobicContact CE3-CD1 4.26Å; W202-Y208 AromaticContact CE3-CE1 3.57Å; W202-Y208 HydrophobicContact CE3-CE1 3.57Å; W202-Y208 HydrophobicContact CZ3-CD1 4.43Å; W202-Y208 HydrophobicContact CZ3-CE1 4.09Å; W202-Y208 PolarHBondContact O-OH 2.9Å; W202-M212 HydrophobicContact CB-CE 4.42Å; W202-M212 HydrophobicContact CD2-CE 3.31Å; W202-M212 VanDerWaalsContact CE2-CE 3.49Å; W202-M212 HydrophobicContact CE3-CE 3.57Å; W202-M212 HydrophobicContact CG-CE 3.72Å; W202-M212 HydrophobicContact CH2-CB 3.6Å; W202-M212 HydrophobicContact CH2-CE 4.11Å; W202-M212 HydrophobicContact CH2-CG 3.72Å; W202-M212 HydrophobicContact CZ2-CB 4.21Å; W202-M212 HydrophobicContact CZ2-CE 3.91Å; W202-M212 HydrophobicContact CZ2-CG 3.79Å; W202-M212 HydrophobicContact CZ3-CB 3.88Å; W202-M212 HydrophobicContact CZ3-CE 3.94Å; W202-M212 HydrophobicContact CZ3-CG 4.24Å; W202-F215 HydrophobicContact CH2-CD1 4.06Å; W202-L234 HydrophobicContact CZ2-CD1 4.32Å; W202-K235 HydrophobicContact CB-CB 4.45Å; W202-K235 WeakPolarHBondContact O-CB 3.47Å; W202-K235 VanDerWaalsContact O-O 3.07Å; W202-L236 HydrophobicContact CD2-CD2 4.23Å; W202-L236 HydrophobicContact CE3-CD2 3.37Å; W202-L236 HydrophobicContact CH2-CD2 4.06Å; W202-L236 HydrophobicContact CZ3-CD2 3.29Å
203R58.7Low67.3Low171 Ų17181.5 Ų81.565%0.64540%0.4SS*.THydrogen-bonded Turntrans-94.2-28.2-175.9-69.3178.3-159.8-132.60.4113.9N201 K235N201-R203 PolarHBondContact O-N 2.9Å; N201-R203 WeakPolarHBondContact OD1-CD 3.44Å; N201-R203 WeakPolarHBondContact OD1-CG 3.37Å; N201-R203 PolarHBondContact OD1-NE 2.65Å; R203-K235 HydrophobicContact CG-CD 3.82Å
204E60.7Low67.9Low106 Ų10680.1 Ų80.150%0.49539%0.389SS..  trans-113.9124.9-166.6-64.2-178.2-14800108.7D206 E207E204-D206 PolarHBondContact O-N 3.23Å; E204-E207 HydrophobicContact CB-CG 4.43Å
205T55.8Low68.7Low81 Ų8174 Ų7450%0.49736%0.356SS..THydrogen-bonded Turntrans-72.5-17.5-169.8450000113.8Y208T205-Y208 HydrophobicContact CG2-CE2 4.22Å; T205-Y208 VanDerWaalsContact O-CD2 3.25Å; T205-Y208 WeakPolarHBondContact O-CD2 3.31Å
206D54Low69.5Low152 Ų15273.2 Ų73.281%0.81335%0.353SS*.THydrogen-bonded Turntrans-96.7-15.6-167.8-52.9-14.2000110.5E204E204-D206 PolarHBondContact O-N 3.23Å
207E64.4Low70.3Confident126 Ų12666.7 Ų66.759%0.58933%0.325SS*.  trans-96.13.8179.3-59.7-165.5138.300114.7E204 T209E204-E207 HydrophobicContact CB-CG 4.43Å; E207-T209 PolarHBondContact O-N 3.33Å
208Y75.4Confident71.1Confident11 Ų1165.2 Ų65.24%0.04332%0.319CS..  trans-62.5113.8-177.5-77.9-58.5000112.5W202 T205 M212 K213 K235 P237 W245W202-Y208 HydrophobicContact CD2-CE1 4.39Å; W202-Y208 HydrophobicContact CE3-CD1 4.26Å; W202-Y208 AromaticContact CE3-CE1 3.57Å; W202-Y208 HydrophobicContact CE3-CE1 3.57Å; W202-Y208 HydrophobicContact CZ3-CD1 4.43Å; W202-Y208 HydrophobicContact CZ3-CE1 4.09Å; W202-Y208 PolarHBondContact O-OH 2.9Å; T205-Y208 HydrophobicContact CG2-CE2 4.22Å; T205-Y208 VanDerWaalsContact O-CD2 3.25Å; T205-Y208 WeakPolarHBondContact O-CD2 3.31Å; Y208-M212 HydrophobicContact CD1-CB 4.18Å; Y208-M212 HydrophobicContact CD1-CE 3.55Å; Y208-M212 HydrophobicContact CD1-SD 4.12Å; Y208-M212 HydrophobicContact CE1-CE 3.78Å; Y208-K213 WeakPolarHBondContact O-CE 3.42Å; Y208-K213 PolarHBondContact O-NZ 2.89Å; Y208-K235 PolarHBondContact OH-O 3.43Å; Y208-K235 VanDerWaalsContact OH-O 3.11Å; Y208-P237 HydrophobicContact CE2-CB 4.44Å; Y208-W245 HydrophobicContact CD1-CH2 4.19Å; Y208-W245 AromaticContact CD2-CH2 3.58Å; Y208-W245 HydrophobicContact CD2-CH2 3.58Å; Y208-W245 AromaticContact CD2-CZ2 3.36Å; Y208-W245 HydrophobicContact CD2-CZ2 3.36Å; Y208-W245 AromaticContact CE2-CH2 3.97Å; Y208-W245 HydrophobicContact CE2-CH2 3.97Å; Y208-W245 AromaticContact CE2-CZ2 3.97Å; Y208-W245 HydrophobicContact CE2-CZ2 3.97Å; Y208-W245 AromaticContact CG-CH2 3.7Å; Y208-W245 HydrophobicContact CG-CH2 3.7Å; Y208-W245 AromaticContact CG-CZ2 3.79Å; Y208-W245 HydrophobicContact CG-CZ2 3.79Å
209T81.1Confident72.4Confident50 Ų5058.3 Ų58.331%0.30729%0.287SS..  trans-66162.317570.90000111.9Y200 E207 E211 M212 K213Y200-T209 HydrophobicContact CD1-CG2 4.27Å; Y200-T209 HydrophobicContact CE1-CG2 3.95Å; E207-T209 PolarHBondContact O-N 3.33Å; T209-E211 VanDerWaalsContact C-N 3.29Å; T209-E211 PolarHBondContact O-N 3.36Å; T209-M212 HydrophobicContact CG2-SD 4.13Å; T209-M212 PolarHBondContact O-N 3.15Å; T209-M212 VanDerWaalsContact OG1-CG 3.24Å; T209-M212 WeakPolarHBondContact OG1-CG 3.2Å; T209-M212 PolarHBondContact OG1-N 3.37Å; T209-K213 VanDerWaalsContact O-CG 3.3Å; T209-K213 WeakPolarHBondContact O-CG 2.9Å; T209-K213 PolarHBondContact O-N 3.48Å
210T79.1Confident73.8Confident80 Ų8053 Ų5349%0.49126%0.258SS..Hα-helixtrans-58.3-42.2177.7-49.70000111.6K213 Q214T210-K213 WeakPolarHBondContact O-CB 3.49Å; T210-K213 PolarHBondContact O-N 3.49Å; T210-Q214 WeakPolarHBondContact O-CB 3.49Å; T210-Q214 WeakPolarHBondContact O-CG 3.46Å; T210-Q214 PolarHBondContact O-N 3.06Å; T210-Q214 PolarHBondContact O-OE1 3.17Å
211E78.6Confident74.9Confident79 Ų7949.7 Ų49.737%0.36925%0.245SC..Hα-helixtrans-62.1-44.9176.7-59.8169.5-175.800112.2F195 Y200 T209 K213 Q214 F215 L310F195-E211 HydrophobicContact CD2-CB 3.98Å; F195-E211 HydrophobicContact CE2-CB 3.55Å; F195-E211 WeakPolarHBondContact CE2-OE2 3.37Å; Y200-E211 PolarHBondContact OH-OE2 3.31Å; T209-E211 VanDerWaalsContact C-N 3.29Å; T209-E211 PolarHBondContact O-N 3.36Å; E211-K213 VanDerWaalsContact C-N 3.28Å; E211-K213 PolarHBondContact O-N 3.06Å; E211-Q214 PolarHBondContact O-N 3.24Å; E211-F215 PolarHBondContact O-N 3.42Å; E211-L310 HydrophobicContact CB-CD2 4.4Å; E211-L310 HydrophobicContact CG-CD2 3.86Å
212M80.6Confident75.7Confident5 Ų547 Ų473%0.02523%0.231CC..Hα-helixtrans-60.5-39.6175-69.7169.487.200111.6F195 Y200 W202 Y208 T209 A216F195-M212 HydrophobicContact CE2-CG 4.44Å; F195-M212 HydrophobicContact CZ-CG 3.76Å; Y200-M212 HydrophobicContact CD1-CG 4.36Å; Y200-M212 HydrophobicContact CD1-SD 3.71Å; Y200-M212 HydrophobicContact CG-CE 4.38Å; Y200-M212 HydrophobicContact CG-CG 4.35Å; Y200-M212 HydrophobicContact CG-SD 3.94Å; W202-M212 HydrophobicContact CB-CE 4.42Å; W202-M212 HydrophobicContact CD2-CE 3.31Å; W202-M212 VanDerWaalsContact CE2-CE 3.49Å; W202-M212 HydrophobicContact CE3-CE 3.57Å; W202-M212 HydrophobicContact CG-CE 3.72Å; W202-M212 HydrophobicContact CH2-CB 3.6Å; W202-M212 HydrophobicContact CH2-CE 4.11Å; W202-M212 HydrophobicContact CH2-CG 3.72Å; W202-M212 HydrophobicContact CZ2-CB 4.21Å; W202-M212 HydrophobicContact CZ2-CE 3.91Å; W202-M212 HydrophobicContact CZ2-CG 3.79Å; W202-M212 HydrophobicContact CZ3-CB 3.88Å; W202-M212 HydrophobicContact CZ3-CE 3.94Å; W202-M212 HydrophobicContact CZ3-CG 4.24Å; Y208-M212 HydrophobicContact CD1-CB 4.18Å; Y208-M212 HydrophobicContact CD1-CE 3.55Å; Y208-M212 HydrophobicContact CD1-SD 4.12Å; Y208-M212 HydrophobicContact CE1-CE 3.78Å; T209-M212 HydrophobicContact CG2-SD 4.13Å; T209-M212 PolarHBondContact O-N 3.15Å; T209-M212 VanDerWaalsContact OG1-CG 3.24Å; T209-M212 WeakPolarHBondContact OG1-CG 3.2Å; T209-M212 PolarHBondContact OG1-N 3.37Å; M212-A216 VanDerWaalsContact O-CB 3.27Å; M212-A216 WeakPolarHBondContact O-CB 3.45Å; M212-A216 PolarHBondContact O-N 2.9Å
213K84.6Confident76.4Confident55 Ų5547.9 Ų47.924%0.23924%0.24CC..Hα-helixtrans-66.7-45176.1-68.2165.4169.8146.40111.1Y208 T209 T210 E211 A216 C217 W245 L307Y208-K213 WeakPolarHBondContact O-CE 3.42Å; Y208-K213 PolarHBondContact O-NZ 2.89Å; T209-K213 VanDerWaalsContact O-CG 3.3Å; T209-K213 WeakPolarHBondContact O-CG 2.9Å; T209-K213 PolarHBondContact O-N 3.48Å; T210-K213 WeakPolarHBondContact O-CB 3.49Å; T210-K213 PolarHBondContact O-N 3.49Å; E211-K213 VanDerWaalsContact C-N 3.28Å; E211-K213 PolarHBondContact O-N 3.06Å; K213-A216 PolarHBondContact O-N 3.4Å; K213-C217 WeakPolarHBondContact O-CB 3.3Å; K213-C217 PolarHBondContact O-N 3.01Å; K213-C217 PolarHBondContact O-SG 2.87Å; K213-W245 HydrophobicContact CB-CD2 4.24Å; K213-W245 HydrophobicContact CB-CE3 3.81Å; K213-W245 HydrophobicContact CB-CZ3 3.99Å; K213-W245 HydrophobicContact CD-CD2 4.32Å; K213-W245 HydrophobicContact CG-CD2 3.74Å; K213-W245 HydrophobicContact CG-CE3 3.66Å; K213-W245 HydrophobicContact CG-CG 4.4Å; K213-W245 HydrophobicContact CG-CH2 3.78Å; K213-W245 HydrophobicContact CG-CZ2 3.93Å; K213-W245 HydrophobicContact CG-CZ3 3.68Å; K213-L307 VanDerWaalsContact C-CD1 3.48Å; K213-L307 HydrophobicContact CB-CD1 3.92Å; K213-L307 HydrophobicContact CB-CD2 4.2Å; K213-L307 WeakPolarHBondContact O-CD1 3.21Å
214Q80.6Confident77.6Confident12 Ų1241 Ų416%0.05622%0.218CC..Hα-helixtrans-61-50.7177.4-76.5160-4300110.6F192 T210 E211 A216 C217 T218 L307 G308 K309 L310F192-Q214 HydrophobicContact CE1-CB 4.3Å; F192-Q214 HydrophobicContact CZ-CB 4.18Å; T210-Q214 WeakPolarHBondContact O-CB 3.49Å; T210-Q214 WeakPolarHBondContact O-CG 3.46Å; T210-Q214 PolarHBondContact O-N 3.06Å; T210-Q214 PolarHBondContact O-OE1 3.17Å; E211-Q214 PolarHBondContact O-N 3.24Å; Q214-A216 PolarHBondContact O-N 3.31Å; Q214-C217 PolarHBondContact O-N 2.89Å; Q214-T218 WeakPolarHBondContact O-CB 3.33Å; Q214-T218 PolarHBondContact O-N 2.85Å; Q214-T218 PolarHBondContact O-OG1 3.27Å; Q214-T218 VanDerWaalsContact O-OG1 3.13Å; Q214-L307 HydrophobicContact CG-CB 3.59Å; Q214-L307 HydrophobicContact CG-CD1 4.14Å; Q214-G308 PolarHBondContact NE2-O 3.26Å; Q214-K309 PolarHBondContact NE2-O 2.97Å; Q214-L310 HydrophobicContact CB-CD1 4.35Å; Q214-L310 VanDerWaalsContact OE1-CD2 3.25Å
215F84.1Confident78.6Confident1 Ų144.3 Ų44.30%0.00423%0.231CC..Hα-helixtrans-56.7-49.2176.4174.6-107.5000112.2L170 L188 F192 W197 W202 E211 C217 T218 L219L170-F215 HydrophobicContact CD2-CE1 3.94Å; L170-F215 HydrophobicContact CD2-CZ 3.65Å; L188-F215 HydrophobicContact CD2-CD2 4.21Å; L188-F215 HydrophobicContact CD2-CE2 4.07Å; F192-F215 HydrophobicContact CD1-CB 4.04Å; F192-F215 HydrophobicContact CD1-CD2 4.4Å; F192-F215 AromaticContact CD2-CD2 3.9Å; F192-F215 HydrophobicContact CD2-CD2 3.9Å; F192-F215 HydrophobicContact CE1-CB 3.67Å; F192-F215 HydrophobicContact CE2-CB 4.37Å; F192-F215 HydrophobicContact CE2-CD2 4.1Å; F192-F215 HydrophobicContact CG-CD2 4.07Å; F192-F215 VanDerWaalsContact CZ-CA 3.42Å; F192-F215 HydrophobicContact CZ-CB 3.88Å; F192-F215 HydrophobicContact CZ-CD2 4.44Å; W197-F215 AromaticContact CH2-CD1 3.82Å; W197-F215 HydrophobicContact CH2-CD1 3.82Å; W197-F215 AromaticContact CH2-CD2 3.52Å; W197-F215 HydrophobicContact CH2-CD2 3.52Å; W197-F215 AromaticContact CH2-CE1 3.76Å; W197-F215 HydrophobicContact CH2-CE1 3.76Å; W197-F215 AromaticContact CH2-CE2 3.45Å; W197-F215 HydrophobicContact CH2-CE2 3.45Å; W197-F215 VanDerWaalsContact CH2-CE2 3.45Å; W197-F215 AromaticContact CH2-CG 3.69Å; W197-F215 HydrophobicContact CH2-CG 3.69Å; W197-F215 AromaticContact CH2-CZ 3.57Å; W197-F215 HydrophobicContact CH2-CZ 3.57Å; W197-F215 HydrophobicContact CZ2-CE2 4.34Å; W197-F215 AromaticContact CZ3-CD1 3.57Å; W197-F215 HydrophobicContact CZ3-CD1 3.57Å; W197-F215 HydrophobicContact CZ3-CD2 4.17Å; W197-F215 AromaticContact CZ3-CE1 3.48Å; W197-F215 HydrophobicContact CZ3-CE1 3.48Å; W197-F215 VanDerWaalsContact CZ3-CE1 3.48Å; W197-F215 HydrophobicContact CZ3-CE2 4.09Å; W197-F215 AromaticContact CZ3-CG 3.91Å; W197-F215 HydrophobicContact CZ3-CG 3.91Å; W197-F215 AromaticContact CZ3-CZ 3.74Å; W197-F215 HydrophobicContact CZ3-CZ 3.74Å; W202-F215 HydrophobicContact CH2-CD1 4.06Å; E211-F215 PolarHBondContact O-N 3.42Å; F215-C217 VanDerWaalsContact C-N 3.35Å; F215-C217 PolarHBondContact O-N 3.36Å; F215-T218 PolarHBondContact O-N 2.94Å; F215-L219 HydrophobicContact CE1-CD2 4.06Å; F215-L219 HydrophobicContact CE2-CB 4.48Å; F215-L219 HydrophobicContact CZ-CB 4.45Å; F215-L219 HydrophobicContact CZ-CD2 3.85Å; F215-L219 WeakPolarHBondContact O-CB 3.44Å; F215-L219 PolarHBondContact O-N 3.35Å
216A85.4Confident79.9Confident0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-60.8-42.5179.800000112.3M212 K213 Q214 Y220 Y227 L242 W245M212-A216 VanDerWaalsContact O-CB 3.27Å; M212-A216 WeakPolarHBondContact O-CB 3.45Å; M212-A216 PolarHBondContact O-N 2.9Å; K213-A216 PolarHBondContact O-N 3.4Å; Q214-A216 PolarHBondContact O-N 3.31Å; A216-Y220 WeakPolarHBondContact O-CB 3.35Å; A216-Y220 PolarHBondContact O-N 3.1Å; A216-Y220 VanDerWaalsContact O-N 3.13Å; A216-Y227 HydrophobicContact CB-CE2 4.03Å; A216-Y227 WeakPolarHBondContact O-CD2 3.15Å; A216-Y227 WeakPolarHBondContact O-CE2 3.46Å; A216-L242 HydrophobicContact CB-CD2 4.22Å; A216-W245 HydrophobicContact CB-CZ3 3.96Å
217C85.1Confident81.4Confident2 Ų233.4 Ų33.41%0.01417%0.169CC..Hα-helixtrans-68.1-51176.4-77.50000112.2K213 Q214 F215 L219 Y220 L221 L246 L307K213-C217 WeakPolarHBondContact O-CB 3.3Å; K213-C217 PolarHBondContact O-N 3.01Å; K213-C217 PolarHBondContact O-SG 2.87Å; Q214-C217 PolarHBondContact O-N 2.89Å; F215-C217 VanDerWaalsContact C-N 3.35Å; F215-C217 PolarHBondContact O-N 3.36Å; C217-L219 VanDerWaalsContact C-N 3.35Å; C217-L219 PolarHBondContact O-N 3.2Å; C217-Y220 PolarHBondContact O-N 2.9Å; C217-L221 WeakPolarHBondContact O-CB 3.43Å; C217-L221 VanDerWaalsContact O-CG 3.24Å; C217-L221 WeakPolarHBondContact O-CG 3.45Å; C217-L221 PolarHBondContact O-N 3.21Å; C217-L246 HydrophobicContact CB-CD2 4.09Å; C217-L307 HydrophobicContact CB-CD1 3.86Å
218T83.2Confident82.3Confident4 Ų430.9 Ų30.93%0.02516%0.16CC..Hα-helixtrans-56.3-48.3178-64.60000110.8L187 L188 F192 Q214 F215 Y220 L221 C222 F305L187-T218 HydrophobicContact CD2-CG2 3.4Å; L188-T218 HydrophobicContact CD2-CG2 3.93Å; F192-T218 HydrophobicContact CE2-CG2 4.38Å; Q214-T218 WeakPolarHBondContact O-CB 3.33Å; Q214-T218 PolarHBondContact O-N 2.85Å; Q214-T218 PolarHBondContact O-OG1 3.27Å; Q214-T218 VanDerWaalsContact O-OG1 3.13Å; F215-T218 PolarHBondContact O-N 2.94Å; T218-Y220 PolarHBondContact O-N 3.07Å; T218-L221 PolarHBondContact O-N 3.43Å; T218-C222 WeakPolarHBondContact O-CB 3.4Å; T218-C222 PolarHBondContact O-N 2.9Å; T218-C222 PolarHBondContact O-SG 2.66Å; T218-F305 HydrophobicContact CG2-CE2 4.32Å
219L84.2Confident82.6Confident0 Ų033.5 Ų33.50%017%0.17CC..Hα-helixtrans-60.3-42.7178.2-174.169.7000112.4L188 F215 C217 S223 V226 Y227 V230 L236L188-L219 HydrophobicContact CD1-CD1 3.92Å; F215-L219 HydrophobicContact CE1-CD2 4.06Å; F215-L219 HydrophobicContact CE2-CB 4.48Å; F215-L219 HydrophobicContact CZ-CB 4.45Å; F215-L219 HydrophobicContact CZ-CD2 3.85Å; F215-L219 WeakPolarHBondContact O-CB 3.44Å; F215-L219 PolarHBondContact O-N 3.35Å; C217-L219 VanDerWaalsContact C-N 3.35Å; C217-L219 PolarHBondContact O-N 3.2Å; L219-S223 CarbonylContact O-C 3.57Å; L219-S223 PolarHBondContact O-N 2.93Å; L219-V226 HydrophobicContact CD1-CB 4.34Å; L219-V226 HydrophobicContact CD1-CG1 3.84Å; L219-Y227 HydrophobicContact CB-CD2 4.37Å; L219-Y227 HydrophobicContact CD2-CD2 4.21Å; L219-Y227 HydrophobicContact CG-CD2 4.41Å; L219-V230 HydrophobicContact CD2-CB 3.91Å; L219-V230 HydrophobicContact CD2-CG1 4.18Å; L219-V230 HydrophobicContact CD2-CG2 3.83Å; L219-L236 HydrophobicContact CD2-CD1 4.35Å
220Y85.9Confident82.5Confident22 Ų2231.1 Ų31.19%0.08616%0.156CC..Hα-helixtrans-65-43.4177-178.8-91.5000112.5A216 C217 T218 S223 S224 Y227 L242 Q352 L356A216-Y220 WeakPolarHBondContact O-CB 3.35Å; A216-Y220 PolarHBondContact O-N 3.1Å; A216-Y220 VanDerWaalsContact O-N 3.13Å; C217-Y220 PolarHBondContact O-N 2.9Å; T218-Y220 PolarHBondContact O-N 3.07Å; Y220-S223 CarbonylContact O-C 3.53Å; Y220-S224 PolarHBondContact O-N 3.15Å; Y220-Y227 AromaticContact CD2-CD1 3.78Å; Y220-Y227 HydrophobicContact CD2-CD1 3.78Å; Y220-Y227 HydrophobicContact CD2-CD2 4.36Å; Y220-Y227 HydrophobicContact CD2-CE1 4.28Å; Y220-Y227 AromaticContact CD2-CG 3.82Å; Y220-Y227 HydrophobicContact CD2-CG 3.82Å; Y220-Y227 HydrophobicContact CG-CG 4.39Å; Y220-L242 HydrophobicContact CD1-CD1 3.91Å; Y220-L242 HydrophobicContact CD2-CD1 3.83Å; Y220-L242 HydrophobicContact CG-CD1 3.45Å; Y220-L242 VanDerWaalsContact CG-CD1 3.45Å; Y220-Q352 HydrophobicContact CD1-CB 4.49Å; Y220-Q352 HydrophobicContact CE1-CB 4.16Å; Y220-L356 HydrophobicContact CD1-CD1 4.01Å; Y220-L356 HydrophobicContact CD1-CD2 4.35Å; Y220-L356 HydrophobicContact CD1-CG 4.4Å; Y220-L356 HydrophobicContact CE1-CD1 3.83Å; Y220-L356 HydrophobicContact CE1-CD2 3.75Å; Y220-L356 HydrophobicContact CE1-CG 3.74Å
221L82.3Confident82.6Confident0 Ų031.7 Ų31.70%015%0.149CC..Hα-helixtrans-66.8-40179.6-69.2174.5000111.8C217 T218 F305 L349 Q352 L353 L356C217-L221 WeakPolarHBondContact O-CB 3.43Å; C217-L221 VanDerWaalsContact O-CG 3.24Å; C217-L221 WeakPolarHBondContact O-CG 3.45Å; C217-L221 PolarHBondContact O-N 3.21Å; T218-L221 PolarHBondContact O-N 3.43Å; L221-F305 HydrophobicContact CD1-CB 4.05Å; L221-F305 HydrophobicContact CD1-CD1 3.54Å; L221-F305 HydrophobicContact CD1-CD2 4.07Å; L221-F305 HydrophobicContact CD1-CE1 3.92Å; L221-F305 HydrophobicContact CD1-CE2 4.42Å; L221-F305 HydrophobicContact CD1-CG 3.62Å; L221-F305 HydrophobicContact CD1-CZ 4.35Å; L221-L349 HydrophobicContact CB-CG 4.44Å; L221-L349 WeakPolarHBondContact O-CA 3.41Å; L221-Q352 HydrophobicContact CD2-CB 4.12Å; L221-L353 HydrophobicContact CD1-CD2 4.4Å; L221-L353 HydrophobicContact CD2-CD2 3.59Å; L221-L353 HydrophobicContact CD2-CG 3.94Å; L221-L356 HydrophobicContact CD2-CD1 3.73Å
222C79.8Confident82.7Confident18 Ų1835.6 Ų35.612%0.12217%0.165CC..Hα-helixtrans-67.5-48.6173.2-69.90000111.9T184 T218T184-C222 HydrophobicContact CG2-CB 3.76Å; T218-C222 WeakPolarHBondContact O-CB 3.4Å; T218-C222 PolarHBondContact O-N 2.9Å; T218-C222 PolarHBondContact O-SG 2.66Å
223S82.1Confident82.4Confident31 Ų3138.2 Ų38.222%0.21718%0.178CC..  trans-159.4107.7176.6-1730000113.7L219 Y220 K225 V226 Y227L219-S223 CarbonylContact O-C 3.57Å; L219-S223 PolarHBondContact O-N 2.93Å; Y220-S223 CarbonylContact O-C 3.53Å; S223-K225 PolarHBondContact O-N 3.07Å; S223-V226 PolarHBondContact O-N 2.69Å; S223-V226 VanDerWaalsContact O-N 3.09Å; S223-V226 WeakPolarHBondContact OG-CG2 3.22Å; S223-Y227 PolarHBondContact O-N 3.29Å
224S82.1Confident81.7Confident27 Ų2737.1 Ų37.119%0.18917%0.174CC..Hα-helixtrans-58.5-30.1173.263.10000113.4Y220 Y227 D228 Q352Y220-S224 PolarHBondContact O-N 3.15Å; S224-Y227 PolarHBondContact O-N 3.37Å; S224-D228 WeakPolarHBondContact O-CB 3.35Å; S224-D228 PolarHBondContact O-N 2.93Å; S224-Q352 PolarHBondContact OG-NE2 3.09Å
225K82.1Confident81.4Confident175 Ų17542.5 Ų42.576%0.76120%0.198SC*.Hα-helixtrans-65.5-42.3175.4-66.9-178.9-179.1176.70111.8S223 Y229S223-K225 PolarHBondContact O-N 3.07Å; K225-Y229 PolarHBondContact O-N 3.16Å; K225-Y229 VanDerWaalsContact O-N 3.11Å
226V82.6Confident81.2Confident3 Ų342.8 Ų42.82%0.01820%0.199CC..Hα-helixtrans-71-40.6177.2-173.80000109.8L174 L179 L180 L219 S223 D228 Y229 V230L174-V226 HydrophobicContact CD1-CG1 3.93Å; L174-V226 HydrophobicContact CD2-CG1 3.89Å; L174-V226 HydrophobicContact CG-CG1 4.45Å; L179-V226 HydrophobicContact CB-CG2 4.05Å; L179-V226 WeakPolarHBondContact O-CG2 3.33Å; L180-V226 HydrophobicContact CD2-CG1 4.18Å; L180-V226 HydrophobicContact CD2-CG2 4.34Å; L219-V226 HydrophobicContact CD1-CB 4.34Å; L219-V226 HydrophobicContact CD1-CG1 3.84Å; S223-V226 PolarHBondContact O-N 2.69Å; S223-V226 VanDerWaalsContact O-N 3.09Å; S223-V226 WeakPolarHBondContact OG-CG2 3.22Å; V226-D228 PolarHBondContact O-N 3Å; V226-Y229 WeakPolarHBondContact O-CB 3.35Å; V226-Y229 PolarHBondContact O-N 2.9Å; V226-Y229 VanDerWaalsContact O-N 3.09Å; V226-V230 HydrophobicContact CG1-CG2 4.19Å; V226-V230 WeakPolarHBondContact O-CG2 3.3Å; V226-V230 PolarHBondContact O-N 3.39Å
227Y85.3Confident81Confident0 Ų043.2 Ų43.20%020%0.202CC..Hα-helixtrans-55.4-48.5172.3-173.2-90.2000112.3A216 L219 Y220 S223 S224 Y229 V230 R231 L236 P237 L242A216-Y227 HydrophobicContact CB-CE2 4.03Å; A216-Y227 WeakPolarHBondContact O-CD2 3.15Å; A216-Y227 WeakPolarHBondContact O-CE2 3.46Å; L219-Y227 HydrophobicContact CB-CD2 4.37Å; L219-Y227 HydrophobicContact CD2-CD2 4.21Å; L219-Y227 HydrophobicContact CG-CD2 4.41Å; Y220-Y227 AromaticContact CD2-CD1 3.78Å; Y220-Y227 HydrophobicContact CD2-CD1 3.78Å; Y220-Y227 HydrophobicContact CD2-CD2 4.36Å; Y220-Y227 HydrophobicContact CD2-CE1 4.28Å; Y220-Y227 AromaticContact CD2-CG 3.82Å; Y220-Y227 HydrophobicContact CD2-CG 3.82Å; Y220-Y227 HydrophobicContact CG-CG 4.39Å; S223-Y227 PolarHBondContact O-N 3.29Å; S224-Y227 PolarHBondContact O-N 3.37Å; Y227-Y229 VanDerWaalsContact C-N 3.26Å; Y227-Y229 PolarHBondContact O-N 2.79Å; Y227-V230 PolarHBondContact O-N 3.26Å; Y227-R231 WeakPolarHBondContact O-CB 3.45Å; Y227-R231 PolarHBondContact O-N 2.81Å; Y227-L236 HydrophobicContact CD2-CD1 3.87Å; Y227-L236 HydrophobicContact CE1-CB 4.49Å; Y227-L236 HydrophobicContact CE2-CB 4.35Å; Y227-L236 HydrophobicContact CE2-CD1 3.65Å; Y227-L236 HydrophobicContact CG-CD1 4.46Å; Y227-P237 WeakPolarHBondContact OH-CG 3.13Å; Y227-P237 PolarHBondContact OH-O 2.89Å; Y227-L242 HydrophobicContact CE1-CD1 4.47Å; Y227-L242 HydrophobicContact CE2-CD1 4.18Å
228D84.3Confident80.9Confident74 Ų7447.3 Ų47.340%0.39622%0.221SC..Hα-helixtrans-68.1-21.5177.2-79.2-31.9000113.9S224 V226 K232S224-D228 WeakPolarHBondContact O-CB 3.35Å; S224-D228 PolarHBondContact O-N 2.93Å; V226-D228 PolarHBondContact O-N 3Å; D228-K232 WeakPolarHBondContact O-CD 3.08Å; D228-K232 VanDerWaalsContact O-CE 3.25Å; D228-K232 WeakPolarHBondContact O-CE 3.5Å; D228-K232 WeakPolarHBondContact O-CG 3.06Å
229Y81Confident80.8Confident66 Ų6648.4 Ų48.426%0.25923%0.228SC..Hα-helixtrans-76.1-53.7169.9178.6-96.3000111L174 L179 K225 V226 Y227 R231 K232 I233L174-Y229 HydrophobicContact CD2-CD1 3.85Å; L174-Y229 HydrophobicContact CD2-CE1 3.97Å; L179-Y229 HydrophobicContact CD1-CD1 3.64Å; L179-Y229 HydrophobicContact CD1-CD2 4.27Å; L179-Y229 HydrophobicContact CD1-CE1 3.76Å; L179-Y229 HydrophobicContact CD1-CE2 4.35Å; L179-Y229 HydrophobicContact CD1-CG 3.91Å; K225-Y229 PolarHBondContact O-N 3.16Å; K225-Y229 VanDerWaalsContact O-N 3.11Å; V226-Y229 WeakPolarHBondContact O-CB 3.35Å; V226-Y229 PolarHBondContact O-N 2.9Å; V226-Y229 VanDerWaalsContact O-N 3.09Å; Y227-Y229 VanDerWaalsContact C-N 3.26Å; Y227-Y229 PolarHBondContact O-N 2.79Å; Y229-R231 PolarHBondContact O-N 2.85Å; Y229-K232 WeakPolarHBondContact O-CB 3.41Å; Y229-K232 PolarHBondContact O-N 3.44Å; Y229-I233 HydrophobicContact CD1-CD1 3.91Å; Y229-I233 HydrophobicContact CE1-CD1 3.4Å
230V80.3Confident80.6Confident0 Ų050.2 Ų50.20%024%0.241CC..Hα-helixtrans-60.1-34.8177.51780000111L170 L174 L219 V226 Y227 K232 I233 L234 L236L170-V230 HydrophobicContact CD2-CG1 4.08Å; L174-V230 HydrophobicContact CD1-CG2 3.83Å; L174-V230 HydrophobicContact CD2-CG2 3.78Å; L174-V230 HydrophobicContact CG-CG2 4.36Å; L219-V230 HydrophobicContact CD2-CB 3.91Å; L219-V230 HydrophobicContact CD2-CG1 4.18Å; L219-V230 HydrophobicContact CD2-CG2 3.83Å; V226-V230 HydrophobicContact CG1-CG2 4.19Å; V226-V230 WeakPolarHBondContact O-CG2 3.3Å; V226-V230 PolarHBondContact O-N 3.39Å; Y227-V230 PolarHBondContact O-N 3.26Å; V230-K232 PolarHBondContact O-N 3.31Å; V230-K232 VanDerWaalsContact O-N 3.13Å; V230-I233 CarbonylContact O-C 3.58Å; V230-I233 WeakPolarHBondContact O-CA 3.42Å; V230-I233 WeakPolarHBondContact O-CB 3.38Å; V230-I233 PolarHBondContact O-N 3.31Å; V230-L234 HydrophobicContact CG1-CB 4.19Å; V230-L234 HydrophobicContact CG1-CD1 3.99Å; V230-L234 HydrophobicContact CG1-CG 4.12Å; V230-L234 PolarHBondContact O-N 2.91Å; V230-L236 HydrophobicContact CB-CD1 4.02Å; V230-L236 HydrophobicContact CG1-CD1 3.67Å; V230-L236 HydrophobicContact CG1-CG 4.27Å
231R81.4Confident80.5Confident92 Ų9251.8 Ų51.835%0.34725%0.251SS..Hα-helixtrans-61.7-15.8174.7-177.1164178.1-115.1-8.1114.9Y227 Y229 L234 L236 P237Y227-R231 WeakPolarHBondContact O-CB 3.45Å; Y227-R231 PolarHBondContact O-N 2.81Å; Y229-R231 PolarHBondContact O-N 2.85Å; R231-L234 CarbonylContact C-O 3.54Å; R231-L234 WeakPolarHBondContact CA-O 3.31Å; R231-L236 HydrophobicContact CB-CB 3.93Å; R231-L236 HydrophobicContact CB-CD1 4.41Å; R231-L236 HydrophobicContact CB-CG 4.44Å; R231-L236 HydrophobicContact CG-CB 4Å; R231-L236 PolarHBondContact NE-O 3.42Å; R231-P237 VanDerWaalsContact CD-O 3.3Å; R231-P237 WeakPolarHBondContact CD-O 3.49Å; R231-P237 PolarHBondContact NE-O 3.26Å
232K79.4Confident80.4Confident161 Ų16151.8 Ų51.870%0.725%0.251SS*.Hα-helixtrans-88.9-18.6171.3-62.9162.1-172.4164.70112.3D228 Y229 V230D228-K232 WeakPolarHBondContact O-CD 3.08Å; D228-K232 VanDerWaalsContact O-CE 3.25Å; D228-K232 WeakPolarHBondContact O-CE 3.5Å; D228-K232 WeakPolarHBondContact O-CG 3.06Å; Y229-K232 WeakPolarHBondContact O-CB 3.41Å; Y229-K232 PolarHBondContact O-N 3.44Å; V230-K232 PolarHBondContact O-N 3.31Å; V230-K232 VanDerWaalsContact O-N 3.13Å
233I73.9Confident80.5Confident59 Ų5952 Ų5230%0.30325%0.249SC..Hα-helixtrans-98.4-64.4-176.9-59.5171.7000109Y229 V230Y229-I233 HydrophobicContact CD1-CD1 3.91Å; Y229-I233 HydrophobicContact CE1-CD1 3.4Å; V230-I233 CarbonylContact O-C 3.58Å; V230-I233 WeakPolarHBondContact O-CA 3.42Å; V230-I233 WeakPolarHBondContact O-CB 3.38Å; V230-I233 PolarHBondContact O-N 3.31Å
234L71.3Confident80.5Confident32 Ų3255.1 Ų55.117%0.16827%0.267CS..SBendtrans-85.3143.5164.5-58.5-175.8000108.7L170 W197 W202 V230 R231 L236L170-L234 HydrophobicContact CD2-CD1 3.68Å; W197-L234 HydrophobicContact CE3-CD1 4.14Å; W197-L234 HydrophobicContact CZ3-CD1 4.47Å; W202-L234 HydrophobicContact CZ2-CD1 4.32Å; V230-L234 HydrophobicContact CG1-CB 4.19Å; V230-L234 HydrophobicContact CG1-CD1 3.99Å; V230-L234 HydrophobicContact CG1-CG 4.12Å; V230-L234 PolarHBondContact O-N 2.91Å; R231-L234 CarbonylContact C-O 3.54Å; R231-L234 WeakPolarHBondContact CA-O 3.31Å; L234-L236 HydrophobicContact CB-CD2 4.11Å; L234-L236 HydrophobicContact CB-CG 4.15Å; L234-L236 PolarHBondContact O-N 3.36Å
235K73.9Confident80.5Confident126 Ų12655.6 Ų55.655%0.54826%0.264SS..  trans-78.854.9179.3-79.8175.9166.9-166.80112.2W202 R203 Y208W202-K235 HydrophobicContact CB-CB 4.45Å; W202-K235 WeakPolarHBondContact O-CB 3.47Å; W202-K235 VanDerWaalsContact O-O 3.07Å; R203-K235 HydrophobicContact CG-CD 3.82Å; Y208-K235 PolarHBondContact OH-O 3.43Å; Y208-K235 VanDerWaalsContact OH-O 3.11Å
236L78.9Confident80.4Confident7 Ų747.3 Ų47.34%0.03723%0.228CC..PPolyproline II helixtrans-57.2148.1179.1-60.5-173.7000111.7W202 L219 Y227 V230 R231 L234W202-L236 HydrophobicContact CD2-CD2 4.23Å; W202-L236 HydrophobicContact CE3-CD2 3.37Å; W202-L236 HydrophobicContact CH2-CD2 4.06Å; W202-L236 HydrophobicContact CZ3-CD2 3.29Å; L219-L236 HydrophobicContact CD2-CD1 4.35Å; Y227-L236 HydrophobicContact CD2-CD1 3.87Å; Y227-L236 HydrophobicContact CE1-CB 4.49Å; Y227-L236 HydrophobicContact CE2-CB 4.35Å; Y227-L236 HydrophobicContact CE2-CD1 3.65Å; Y227-L236 HydrophobicContact CG-CD1 4.46Å; V230-L236 HydrophobicContact CB-CD1 4.02Å; V230-L236 HydrophobicContact CG1-CD1 3.67Å; V230-L236 HydrophobicContact CG1-CG 4.27Å; R231-L236 HydrophobicContact CB-CB 3.93Å; R231-L236 HydrophobicContact CB-CD1 4.41Å; R231-L236 HydrophobicContact CB-CG 4.44Å; R231-L236 HydrophobicContact CG-CB 4Å; R231-L236 PolarHBondContact NE-O 3.42Å; L234-L236 HydrophobicContact CB-CD2 4.11Å; L234-L236 HydrophobicContact CB-CG 4.15Å; L234-L236 PolarHBondContact O-N 3.36Å
237P82.8Confident80.2Confident8 Ų848.1 Ų48.15%0.05223%0.234CC..PPolyproline II helixtrans-63.2171.917929.9-38.4000112.1Y208 Y227 R231 I241 L242 W245Y208-P237 HydrophobicContact CE2-CB 4.44Å; Y227-P237 WeakPolarHBondContact OH-CG 3.13Å; Y227-P237 PolarHBondContact OH-O 2.89Å; R231-P237 VanDerWaalsContact CD-O 3.3Å; R231-P237 WeakPolarHBondContact CD-O 3.49Å; R231-P237 PolarHBondContact NE-O 3.26Å; P237-I241 HydrophobicContact CB-CB 4.05Å; P237-I241 HydrophobicContact CB-CD1 3.73Å; P237-I241 HydrophobicContact CB-CG1 4.45Å; P237-I241 HydrophobicContact CB-CG2 4.13Å; P237-L242 HydrophobicContact CG-CD2 4.26Å; P237-W245 HydrophobicContact CB-CH2 4.37Å; P237-W245 HydrophobicContact CG-CH2 3.55Å; P237-W245 HydrophobicContact CG-CZ2 4.23Å; P237-W245 HydrophobicContact CG-CZ3 3.77Å
238H82.6Confident79.8Confident89 Ų8951 Ų5141%0.41225%0.247SC..PPolyproline II helixtrans-73.8148.7170-170.4-105.3000110.7S240 I241H238-S240 PolarHBondContact ND1-N 3.31Å; H238-S240 PolarHBondContact ND1-OG 3.32Å; H238-S240 PolarHBondContact O-N 3.5Å; H238-I241 WeakPolarHBondContact O-CB 3.45Å; H238-I241 PolarHBondContact O-N 2.88Å
239S80.8Confident78.5Confident26 Ų2651.1 Ų51.118%0.18225%0.253CS..Hα-helixtrans-58.1-22.6-178.655.90000114.2I241 L242S239-I241 VanDerWaalsContact C-N 3.32Å; S239-I241 PolarHBondContact O-N 3.1Å; S239-L242 WeakPolarHBondContact O-CB 3.4Å; S239-L242 PolarHBondContact O-N 3.2Å
240S79.8Confident77.8Confident38 Ų3854.9 Ų54.927%0.26627%0.273SS..Hα-helixtrans-63.8-33171.556.90000113.4H238 L242 R243H238-S240 PolarHBondContact ND1-N 3.31Å; H238-S240 PolarHBondContact ND1-OG 3.32Å; H238-S240 PolarHBondContact O-N 3.5Å; S240-L242 VanDerWaalsContact C-N 3.31Å; S240-R243 VanDerWaalsContact O-CB 3.32Å; S240-R243 WeakPolarHBondContact O-CB 3.43Å; S240-R243 PolarHBondContact O-N 2.82Å
241I83.3Confident77.2Confident56 Ų5655.7 Ų55.729%0.28728%0.278SS..Hα-helixtrans-69.8-32.9179.1-64.3170.2000110.5P237 H238 S239 R243 T244 W245P237-I241 HydrophobicContact CB-CB 4.05Å; P237-I241 HydrophobicContact CB-CD1 3.73Å; P237-I241 HydrophobicContact CB-CG1 4.45Å; P237-I241 HydrophobicContact CB-CG2 4.13Å; H238-I241 WeakPolarHBondContact O-CB 3.45Å; H238-I241 PolarHBondContact O-N 2.88Å; S239-I241 VanDerWaalsContact C-N 3.32Å; S239-I241 PolarHBondContact O-N 3.1Å; I241-R243 PolarHBondContact O-N 3.46Å; I241-T244 WeakPolarHBondContact O-CB 3.34Å; I241-T244 PolarHBondContact O-N 2.98Å; I241-W245 HydrophobicContact CG2-CD2 4.09Å; I241-W245 HydrophobicContact CG2-CG 4.44Å; I241-W245 HydrophobicContact CG2-CZ2 3.85Å; I241-W245 PolarHBondContact O-N 3.47Å; I241-W245 VanDerWaalsContact O-N 3.07Å
242L81.7Confident77.1Confident0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-58.9-32.5174.8-51.4179.6000111.7A216 Y220 Y227 P237 S239 S240 T244 W245 L246 L356A216-L242 HydrophobicContact CB-CD2 4.22Å; Y220-L242 HydrophobicContact CD1-CD1 3.91Å; Y220-L242 HydrophobicContact CD2-CD1 3.83Å; Y220-L242 HydrophobicContact CG-CD1 3.45Å; Y220-L242 VanDerWaalsContact CG-CD1 3.45Å; Y227-L242 HydrophobicContact CE1-CD1 4.47Å; Y227-L242 HydrophobicContact CE2-CD1 4.18Å; P237-L242 HydrophobicContact CG-CD2 4.26Å; S239-L242 WeakPolarHBondContact O-CB 3.4Å; S239-L242 PolarHBondContact O-N 3.2Å; S240-L242 VanDerWaalsContact C-N 3.31Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 3.02Å; L242-W245 HydrophobicContact CD2-CE3 3.64Å; L242-W245 HydrophobicContact CD2-CZ3 3.88Å; L242-W245 PolarHBondContact O-N 3.23Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.33Å; L242-L246 PolarHBondContact O-N 3.35Å; L242-L356 HydrophobicContact CB-CD2 4.33Å
243R81.9Confident77.4Confident21 Ų2144.9 Ų44.98%0.07924%0.237CC..Hα-helixtrans-61.2-37.4174.7-55.6-167.1-70.1-117.27.8111.9S240 I241 S247 L356 D363S240-R243 VanDerWaalsContact O-CB 3.32Å; S240-R243 WeakPolarHBondContact O-CB 3.43Å; S240-R243 PolarHBondContact O-N 2.82Å; I241-R243 PolarHBondContact O-N 3.46Å; R243-S247 PolarHBondContact O-OG 3.4Å; R243-L356 WeakPolarHBondContact CD-O 3.41Å; R243-L356 HydrophobicContact CG-CB 4.34Å; R243-L356 HydrophobicContact CG-CD2 3.72Å; R243-D363 IonicContact CZ-OD1 3.96Å; R243-D363 IonicContact CZ-OD2 3.77Å; R243-D363 IonicContact NE-OD2 2.75Å; R243-D363 PolarHBondContact NE-OD2 3.4Å; R243-D363 IonicContact NH2-OD1 3.04Å; R243-D363 PolarHBondContact NH2-OD1 2.96Å; R243-D363 IonicContact NH2-OD2 3.18Å; R243-D363 PolarHBondContact NH2-OD2 3.35Å
244T81.5Confident78.2Confident98 Ų9842.1 Ų42.160%0.60122%0.223SC*.Hα-helixtrans-72.1-44.1175.8-52.10000111I241 L242 L246 S247I241-T244 WeakPolarHBondContact O-CB 3.34Å; I241-T244 PolarHBondContact O-N 2.98Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 3.02Å; T244-L246 PolarHBondContact O-N 3.39Å; T244-S247 VanDerWaalsContact O-CB 3.31Å; T244-S247 WeakPolarHBondContact O-CB 3.34Å; T244-S247 PolarHBondContact O-N 2.96Å; T244-S247 VanDerWaalsContact O-N 3.08Å
245W81.6Confident79.1Confident36 Ų3640.7 Ų40.714%0.13622%0.215CC..Hα-helixtrans-63.5-38.3-179.7-68.6-5.4000113.7Y208 K213 A216 P237 I241 L242 S247 L307Y208-W245 HydrophobicContact CD1-CH2 4.19Å; Y208-W245 AromaticContact CD2-CH2 3.58Å; Y208-W245 HydrophobicContact CD2-CH2 3.58Å; Y208-W245 AromaticContact CD2-CZ2 3.36Å; Y208-W245 HydrophobicContact CD2-CZ2 3.36Å; Y208-W245 AromaticContact CE2-CH2 3.97Å; Y208-W245 HydrophobicContact CE2-CH2 3.97Å; Y208-W245 AromaticContact CE2-CZ2 3.97Å; Y208-W245 HydrophobicContact CE2-CZ2 3.97Å; Y208-W245 AromaticContact CG-CH2 3.7Å; Y208-W245 HydrophobicContact CG-CH2 3.7Å; Y208-W245 AromaticContact CG-CZ2 3.79Å; Y208-W245 HydrophobicContact CG-CZ2 3.79Å; K213-W245 HydrophobicContact CB-CD2 4.24Å; K213-W245 HydrophobicContact CB-CE3 3.81Å; K213-W245 HydrophobicContact CB-CZ3 3.99Å; K213-W245 HydrophobicContact CD-CD2 4.32Å; K213-W245 HydrophobicContact CG-CD2 3.74Å; K213-W245 HydrophobicContact CG-CE3 3.66Å; K213-W245 HydrophobicContact CG-CG 4.4Å; K213-W245 HydrophobicContact CG-CH2 3.78Å; K213-W245 HydrophobicContact CG-CZ2 3.93Å; K213-W245 HydrophobicContact CG-CZ3 3.68Å; A216-W245 HydrophobicContact CB-CZ3 3.96Å; P237-W245 HydrophobicContact CB-CH2 4.37Å; P237-W245 HydrophobicContact CG-CH2 3.55Å; P237-W245 HydrophobicContact CG-CZ2 4.23Å; P237-W245 HydrophobicContact CG-CZ3 3.77Å; I241-W245 HydrophobicContact CG2-CD2 4.09Å; I241-W245 HydrophobicContact CG2-CG 4.44Å; I241-W245 HydrophobicContact CG2-CZ2 3.85Å; I241-W245 PolarHBondContact O-N 3.47Å; I241-W245 VanDerWaalsContact O-N 3.07Å; L242-W245 HydrophobicContact CD2-CE3 3.64Å; L242-W245 HydrophobicContact CD2-CZ3 3.88Å; L242-W245 PolarHBondContact O-N 3.23Å; W245-S247 PolarHBondContact O-N 3.32Å; W245-L307 HydrophobicContact CB-CD2 4.26Å; W245-L307 VanDerWaalsContact O-CD2 3.26Å; W245-L307 WeakPolarHBondContact O-CD2 3.45Å
246L79.4Confident79.7Confident1 Ų135.1 Ų35.11%0.00519%0.192CC..THydrogen-bonded Turntrans-76.76.9175.7-63.5167.7000113.1C217 L242 T244 G254 F255 F305 L307 L356C217-L246 HydrophobicContact CB-CD2 4.09Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.33Å; L242-L246 PolarHBondContact O-N 3.35Å; T244-L246 PolarHBondContact O-N 3.39Å; L246-G254 CarbonylContact O-C 3.54Å; L246-G254 WeakPolarHBondContact O-CA 3.39Å; L246-F255 HydrophobicContact CB-CD2 3.8Å; L246-F255 HydrophobicContact CB-CE2 4.06Å; L246-F255 HydrophobicContact CD1-CE2 4.35Å; L246-F255 PolarHBondContact O-N 3.47Å; L246-F305 HydrophobicContact CD2-CB 4.13Å; L246-F305 VanDerWaalsContact CD2-O 3.28Å; L246-F305 WeakPolarHBondContact CD2-O 3.34Å; L246-L307 HydrophobicContact CD2-CD1 4.41Å; L246-L307 HydrophobicContact CD2-CG 4.42Å; L246-L356 HydrophobicContact CD1-CD1 3.79Å
247S79.3Confident80.1Confident21 Ų2135.8 Ų35.815%0.14720%0.197CC..EExtended strand (participates in β ladder)trans-102.8126.6-179.2-56.90000112R243 T244 W245 F255 S257 K360R243-S247 PolarHBondContact O-OG 3.4Å; T244-S247 VanDerWaalsContact O-CB 3.31Å; T244-S247 WeakPolarHBondContact O-CB 3.34Å; T244-S247 PolarHBondContact O-N 2.96Å; T244-S247 VanDerWaalsContact O-N 3.08Å; W245-S247 PolarHBondContact O-N 3.32Å; S247-F255 CarbonylContact C-O 3.58Å; S247-F255 WeakPolarHBondContact CA-O 3.37Å; S247-S257 WeakPolarHBondContact CB-OG 3.34Å; S247-K360 WeakPolarHBondContact OG-CE 3.29Å; S247-K360 PolarHBondContact OG-NZ 3.16Å
248K76Confident80.2Confident59 Ų5938 Ų3826%0.25721%0.208SC..EExtended strand (participates in β ladder)trans-123.7143.3177.2-76-177.4172.7160.10111.5Q250 S252 F255 S257 G306K248-Q250 VanDerWaalsContact C-N 3.33Å; K248-S252 WeakPolarHBondContact CD-OG 3.48Å; K248-F255 PolarHBondContact N-O 3.3Å; K248-S257 PolarHBondContact O-N 3.29Å; K248-S257 PolarHBondContact O-OG 3.38Å; K248-G306 WeakPolarHBondContact CD-O 3.48Å; K248-G306 WeakPolarHBondContact CE-O 3.42Å; K248-G306 PolarHBondContact NZ-O 3.06Å
249C58.8Low80.4Confident78 Ų7834.6 Ų34.653%0.52719%0.193SC..SBendtrans-82.7-12.4175.4-55.80000113N258C249-N258 PolarHBondContact O-ND2 3.15Å
250Q65.7Low80.8Confident144 Ų14433.5 Ų33.567%0.67319%0.185SC*.SBendtrans-106.3149.6177.9-68.7-63.6-4.900111.4K248 S252K248-Q250 VanDerWaalsContact C-N 3.33Å; Q250-S252 PolarHBondContact O-N 3.3Å; Q250-S252 PolarHBondContact O-OG 2.91Å
251P66.6Low81.3Confident17 Ų1734.5 Ų34.511%0.1119%0.192CC..SBendtrans-71.590.7-176.424.6-25.3000110.4Q635 H639P251-Q635 PolarHBondContact O-NE2 2.96Å; P251-H639 HydrophobicContact CB-CB 4.01Å; P251-H639 HydrophobicContact CG-CB 4.06Å; P251-H639 WeakPolarHBondContact CG-ND1 3.32Å
252S79.7Confident81.4Confident23 Ų2334 Ų3416%0.16119%0.188CC..SBendtrans-149.4168.3-17352.80000107.9K248 Q250 Y339K248-S252 WeakPolarHBondContact CD-OG 3.48Å; Q250-S252 PolarHBondContact O-N 3.3Å; Q250-S252 PolarHBondContact O-OG 2.91Å; S252-Y339 VanDerWaalsContact C-OH 3.28Å; S252-Y339 WeakPolarHBondContact CA-OH 3.49Å
253P86.8Confident81.7Confident3 Ų334.1 Ų34.12%0.01919%0.188CC..SBendtrans-54152.3175.3-26.136.1000111.5D304 G306 Y339 F341P253-D304 HydrophobicContact CB-CB 4.18Å; P253-D304 WeakPolarHBondContact CB-O 3.48Å; P253-D304 HydrophobicContact CG-CB 4.06Å; P253-G306 WeakPolarHBondContact O-CA 3.44Å; P253-Y339 CarbonylContact C-O 3.54Å; P253-Y339 VanDerWaalsContact CA-O 3.3Å; P253-Y339 WeakPolarHBondContact CA-O 3.23Å; P253-Y339 HydrophobicContact CB-CE2 4.31Å; P253-Y339 HydrophobicContact CG-CE2 3.91Å; P253-F341 HydrophobicContact CB-CD2 4.35Å; P253-F341 HydrophobicContact CG-CD2 3.39Å; P253-F341 HydrophobicContact CG-CE2 3.54Å; P253-F341 HydrophobicContact CG-CG 4.26Å
254G89.3Confident82.2Confident2 Ų236.8 Ų36.82%0.02120%0.202CC..EExtended strand (participates in β ladder)trans107.7-168.4-173.400000113.7L246 G338 Y339L246-G254 CarbonylContact O-C 3.54Å; L246-G254 WeakPolarHBondContact O-CA 3.39Å; G254-G338 WeakPolarHBondContact O-CA 3.27Å; G254-Y339 PolarHBondContact N-O 3.1Å; G254-Y339 PolarHBondContact O-N 3.2Å
255F90.3Very high82.5Confident1 Ų139.1 Ų39.10%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-81.6133.7174.5-66.1-58.7000111.2L246 S247 K248 S257 F260 L324 F340 L356 T357 K360L246-F255 HydrophobicContact CB-CD2 3.8Å; L246-F255 HydrophobicContact CB-CE2 4.06Å; L246-F255 HydrophobicContact CD1-CE2 4.35Å; L246-F255 PolarHBondContact O-N 3.47Å; S247-F255 CarbonylContact C-O 3.58Å; S247-F255 WeakPolarHBondContact CA-O 3.37Å; K248-F255 PolarHBondContact N-O 3.3Å; F255-S257 PolarHBondContact O-N 3.35Å; F255-F260 HydrophobicContact CB-CD2 4.34Å; F255-F260 HydrophobicContact CB-CE2 3.79Å; F255-F260 AromaticContact CD1-CE2 3.89Å; F255-F260 HydrophobicContact CD1-CE2 3.89Å; F255-F260 HydrophobicContact CD1-CZ 4.11Å; F255-F260 HydrophobicContact CG-CE2 4.13Å; F255-L324 HydrophobicContact CE1-CD1 4.29Å; F255-F340 HydrophobicContact CD1-CE2 4.35Å; F255-F340 HydrophobicContact CD1-CZ 4.01Å; F255-F340 HydrophobicContact CD2-CZ 4.19Å; F255-F340 HydrophobicContact CE1-CE2 4.08Å; F255-F340 AromaticContact CE1-CZ 3.81Å; F255-F340 HydrophobicContact CE1-CZ 3.81Å; F255-F340 HydrophobicContact CE2-CZ 4.01Å; F255-F340 HydrophobicContact CG-CZ 4.19Å; F255-F340 HydrophobicContact CZ-CE2 4.41Å; F255-F340 AromaticContact CZ-CZ 3.81Å; F255-F340 HydrophobicContact CZ-CZ 3.81Å; F255-L356 HydrophobicContact CE2-CB 4.32Å; F255-L356 HydrophobicContact CZ-CB 4.2Å; F255-T357 HydrophobicContact CE1-CG2 4.19Å; F255-T357 VanDerWaalsContact CE1-OG1 3.26Å; F255-T357 WeakPolarHBondContact CE1-OG1 3.12Å; F255-T357 WeakPolarHBondContact CZ-OG1 3.35Å; F255-K360 HydrophobicContact CB-CD 4.19Å; F255-K360 HydrophobicContact CD1-CD 4.44Å; F255-K360 HydrophobicContact CD2-CD 4.06Å; F255-K360 HydrophobicContact CG-CD 3.98Å
256N88.1Confident82.7Confident9 Ų941.1 Ų41.15%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-82.5102.9179-175.2-36.8000111.2N258 I259 F260 L337 E642N256-N258 VanDerWaalsContact C-N 3.26Å; N256-N258 PolarHBondContact O-N 3.04Å; N256-N258 VanDerWaalsContact OD1-CB 3.31Å; N256-N258 WeakPolarHBondContact OD1-CB 3.23Å; N256-N258 PolarHBondContact OD1-N 3.17Å; N256-N258 PolarHBondContact OD1-ND2 2.78Å; N256-I259 HydrophobicContact CB-CB 4.22Å; N256-I259 HydrophobicContact CB-CD1 3.97Å; N256-I259 HydrophobicContact CB-CG1 4.17Å; N256-I259 PolarHBondContact O-N 3.43Å; N256-I259 PolarHBondContact OD1-N 3.21Å; N256-F260 VanDerWaalsContact O-CD2 3.27Å; N256-F260 WeakPolarHBondContact O-CD2 3.24Å; N256-F260 PolarHBondContact O-N 3.29Å; N256-L337 PolarHBondContact N-O 3.47Å; N256-E642 PolarHBondContact ND2-OE1 3.18Å; N256-E642 PolarHBondContact ND2-OE2 3.06Å
257S86.9Confident83.1Confident21 Ų2142.9 Ų42.915%0.14722%0.217CC..Hα-helixtrans-54.7-39.1-179.3-61.40000113.1S247 K248 F255 I259 F260 S261S247-S257 WeakPolarHBondContact CB-OG 3.34Å; K248-S257 PolarHBondContact O-N 3.29Å; K248-S257 PolarHBondContact O-OG 3.38Å; F255-S257 PolarHBondContact O-N 3.35Å; S257-I259 VanDerWaalsContact C-N 3.31Å; S257-I259 PolarHBondContact O-N 3.37Å; S257-F260 PolarHBondContact O-N 3.15Å; S257-S261 PolarHBondContact O-N 3.17Å; S257-S261 PolarHBondContact O-OG 2.92Å; S257-S261 VanDerWaalsContact O-OG 3.07Å
258N85.3Confident83.6Confident55 Ų5547.9 Ų47.929%0.29424%0.239SC..Hα-helixtrans-62.7-39.9-177.3-51-49.7000111.7C249 N256 S261 F262 K646C249-N258 PolarHBondContact O-ND2 3.15Å; N256-N258 VanDerWaalsContact C-N 3.26Å; N256-N258 PolarHBondContact O-N 3.04Å; N256-N258 VanDerWaalsContact OD1-CB 3.31Å; N256-N258 WeakPolarHBondContact OD1-CB 3.23Å; N256-N258 PolarHBondContact OD1-N 3.17Å; N256-N258 PolarHBondContact OD1-ND2 2.78Å; N258-S261 PolarHBondContact O-N 2.98Å; N258-F262 WeakPolarHBondContact O-CB 3.34Å; N258-F262 PolarHBondContact O-N 3.11Å; N258-K646 PolarHBondContact ND2-NZ 2.75Å
259I86.4Confident84.2Confident17 Ų1751 Ų519%0.08726%0.258CS..Hα-helixtrans-68.3-44.5179.7-69.4179.1000110N256 S257 F262 L263 T335 P336 L337N256-I259 HydrophobicContact CB-CB 4.22Å; N256-I259 HydrophobicContact CB-CD1 3.97Å; N256-I259 HydrophobicContact CB-CG1 4.17Å; N256-I259 PolarHBondContact O-N 3.43Å; N256-I259 PolarHBondContact OD1-N 3.21Å; S257-I259 VanDerWaalsContact C-N 3.31Å; S257-I259 PolarHBondContact O-N 3.37Å; I259-F262 WeakPolarHBondContact O-CB 3.28Å; I259-F262 PolarHBondContact O-N 3.16Å; I259-L263 HydrophobicContact CG2-CD1 4.33Å; I259-L263 WeakPolarHBondContact O-CG 3.3Å; I259-L263 PolarHBondContact O-N 3.01Å; I259-T335 HydrophobicContact CG2-CG2 3.4Å; I259-T335 VanDerWaalsContact CG2-CG2 3.4Å; I259-P336 WeakPolarHBondContact CD1-O 3.39Å; I259-L337 HydrophobicContact CG2-CD2 4.43Å
260F89.6Confident85.3Confident4 Ų449.9 Ų49.92%0.01826%0.259CS..Hα-helixtrans-64.2-40.6175.3-75.8-73.4000112.3F255 N256 S257 F262 L263 Q264 L337 K360 L361 I364F255-F260 HydrophobicContact CB-CD2 4.34Å; F255-F260 HydrophobicContact CB-CE2 3.79Å; F255-F260 AromaticContact CD1-CE2 3.89Å; F255-F260 HydrophobicContact CD1-CE2 3.89Å; F255-F260 HydrophobicContact CD1-CZ 4.11Å; F255-F260 HydrophobicContact CG-CE2 4.13Å; N256-F260 VanDerWaalsContact O-CD2 3.27Å; N256-F260 WeakPolarHBondContact O-CD2 3.24Å; N256-F260 PolarHBondContact O-N 3.29Å; S257-F260 PolarHBondContact O-N 3.15Å; F260-F262 VanDerWaalsContact C-N 3.32Å; F260-F262 PolarHBondContact O-N 3.09Å; F260-L263 PolarHBondContact O-N 3.31Å; F260-Q264 WeakPolarHBondContact O-CB 3.3Å; F260-Q264 PolarHBondContact O-N 3Å; F260-L337 HydrophobicContact CE1-CD1 4.47Å; F260-L337 HydrophobicContact CE1-CD2 3.92Å; F260-L337 HydrophobicContact CE2-CB 4.11Å; F260-L337 HydrophobicContact CE2-CD2 4.42Å; F260-L337 WeakPolarHBondContact CE2-O 3.37Å; F260-L337 HydrophobicContact CZ-CB 3.82Å; F260-L337 HydrophobicContact CZ-CD1 4.15Å; F260-L337 HydrophobicContact CZ-CD2 3.84Å; F260-L337 HydrophobicContact CZ-CG 4.15Å; F260-K360 HydrophobicContact CD1-CD 4.22Å; F260-K360 HydrophobicContact CD1-CG 4.11Å; F260-K360 HydrophobicContact CD2-CD 3.95Å; F260-K360 HydrophobicContact CE1-CB 4.33Å; F260-K360 HydrophobicContact CE1-CD 3.93Å; F260-K360 HydrophobicContact CE1-CG 3.89Å; F260-K360 HydrophobicContact CE2-CD 3.7Å; F260-K360 VanDerWaalsContact CE2-CE 3.43Å; F260-K360 HydrophobicContact CG-CD 4.2Å; F260-K360 VanDerWaalsContact CG-CE 3.42Å; F260-K360 HydrophobicContact CG-CG 4.47Å; F260-K360 HydrophobicContact CZ-CD 3.66Å; F260-K360 HydrophobicContact CZ-CG 4.12Å; F260-L361 HydrophobicContact CD1-CD2 4.44Å; F260-L361 HydrophobicContact CE1-CD2 3.85Å; F260-L361 HydrophobicContact CE1-CG 4.17Å; F260-I364 HydrophobicContact CB-CD1 3.75Å; F260-I364 HydrophobicContact CD1-CD1 3.43Å; F260-I364 VanDerWaalsContact CD1-CD1 3.43Å; F260-I364 HydrophobicContact CE1-CD1 4.4Å; F260-I364 HydrophobicContact CG-CD1 4.02Å
261S88.5Confident86Confident58 Ų5845.6 Ų45.641%0.40624%0.241SC..Hα-helixtrans-69.6-23.7174.1-56.60000114S257 N258 R265S257-S261 PolarHBondContact O-N 3.17Å; S257-S261 PolarHBondContact O-OG 2.92Å; S257-S261 VanDerWaalsContact O-OG 3.07Å; N258-S261 PolarHBondContact O-N 2.98Å; S261-R265 WeakPolarHBondContact O-CG 3.44Å; S261-R265 PolarHBondContact O-N 2.95Å; S261-R265 PolarHBondContact O-NE 3.47Å
262F86.7Confident86.7Confident47 Ų4751.9 Ų51.921%0.20627%0.269CS..Hα-helixtrans-72.2-48.7169170.5-89.8000111N258 I259 F260 Q264 R265 R266 Y274 V651N258-F262 WeakPolarHBondContact O-CB 3.34Å; N258-F262 PolarHBondContact O-N 3.11Å; I259-F262 WeakPolarHBondContact O-CB 3.28Å; I259-F262 PolarHBondContact O-N 3.16Å; F260-F262 VanDerWaalsContact C-N 3.32Å; F260-F262 PolarHBondContact O-N 3.09Å; F262-Q264 VanDerWaalsContact C-N 3.28Å; F262-Q264 PolarHBondContact O-N 3.39Å; F262-R265 PolarHBondContact O-N 2.82Å; F262-R266 HydrophobicContact CD1-CG 4.5Å; F262-R266 HydrophobicContact CE1-CG 4.06Å; F262-R266 HydrophobicContact CZ-CG 4.18Å; F262-R266 WeakPolarHBondContact O-CG 3.45Å; F262-R266 PolarHBondContact O-N 3.44Å; F262-Y274 HydrophobicContact CE1-CE1 4.33Å; F262-V651 HydrophobicContact CE1-CG2 3.52Å; F262-V651 HydrophobicContact CZ-CG2 3.71Å
263L88.3Confident86.7Confident1 Ų155.1 Ų55.11%0.00528%0.284CS..Hα-helixtrans-59.7-40.1176.9-70.6175.1000111.6I259 F260 R266 V267 Y274 W333 T335 L337 L361 I366I259-L263 HydrophobicContact CG2-CD1 4.33Å; I259-L263 WeakPolarHBondContact O-CG 3.3Å; I259-L263 PolarHBondContact O-N 3.01Å; F260-L263 PolarHBondContact O-N 3.31Å; L263-R266 WeakPolarHBondContact O-CB 3.31Å; L263-R266 PolarHBondContact O-N 3.07Å; L263-V267 WeakPolarHBondContact O-CG2 3.38Å; L263-V267 PolarHBondContact O-N 3.41Å; L263-V267 VanDerWaalsContact O-N 3.08Å; L263-Y274 HydrophobicContact CD2-CD1 3.66Å; L263-Y274 HydrophobicContact CD2-CE1 3.87Å; L263-W333 HydrophobicContact CD1-CH2 4.5Å; L263-W333 HydrophobicContact CD1-CZ3 4.41Å; L263-W333 HydrophobicContact CD2-CE3 4.11Å; L263-W333 HydrophobicContact CD2-CH2 3.84Å; L263-W333 HydrophobicContact CD2-CZ2 4.35Å; L263-W333 HydrophobicContact CD2-CZ3 3.71Å; L263-T335 HydrophobicContact CD1-CG2 4.06Å; L263-L337 HydrophobicContact CD1-CD2 4.07Å; L263-L361 HydrophobicContact CD1-CD2 4.45Å; L263-I366 HydrophobicContact CB-CD1 3.91Å; L263-I366 HydrophobicContact CD1-CD1 4.21Å; L263-I366 HydrophobicContact CD2-CD1 4.22Å; L263-I366 HydrophobicContact CG-CD1 4.34Å
264Q90.6Very high86.6Confident77 Ų7755.9 Ų55.936%0.3629%0.287SS..Hα-helixtrans-60.1-49.8176.6-177175.7-10.500112.5F260 F262 R266 V267 E268 I364F260-Q264 WeakPolarHBondContact O-CB 3.3Å; F260-Q264 PolarHBondContact O-N 3Å; F262-Q264 VanDerWaalsContact C-N 3.28Å; F262-Q264 PolarHBondContact O-N 3.39Å; Q264-R266 PolarHBondContact O-N 3.34Å; Q264-V267 PolarHBondContact O-N 3.3Å; Q264-V267 VanDerWaalsContact O-N 3.1Å; Q264-E268 HydrophobicContact CG-CG 4.24Å; Q264-E268 VanDerWaalsContact CG-OE1 3.31Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.39Å; Q264-E268 PolarHBondContact NE2-OE1 3.27Å; Q264-E268 WeakPolarHBondContact O-CB 3.42Å; Q264-E268 WeakPolarHBondContact O-CG 3.4Å; Q264-E268 PolarHBondContact O-N 3.06Å; Q264-I364 VanDerWaalsContact CA-CG2 3.42Å; Q264-I364 HydrophobicContact CB-CG1 4.41Å; Q264-I364 HydrophobicContact CB-CG2 3.66Å; Q264-I364 HydrophobicContact CG-CG2 4.2Å
265R88.3Confident86.6Confident148 Ų14859.1 Ų59.156%0.55830%0.301SS*.Hα-helixtrans-57.8-35.2176-74.5178.8-71.7157.8-3.4112.6S261 F262 N269S261-R265 WeakPolarHBondContact O-CG 3.44Å; S261-R265 PolarHBondContact O-N 2.95Å; S261-R265 PolarHBondContact O-NE 3.47Å; F262-R265 PolarHBondContact O-N 2.82Å; R265-N269 VanDerWaalsContact O-CB 3.29Å; R265-N269 WeakPolarHBondContact O-CB 3.38Å; R265-N269 PolarHBondContact O-N 3.4Å; R265-N269 PolarHBondContact O-ND2 3.39Å; R265-N269 PolarHBondContact O-OD1 2.97Å
266R86.5Confident86.6Confident78 Ų7860.7 Ų60.729%0.29431%0.307SS..Hα-helixtrans-66.4-43.3175.8-68-71.5-177.8171.5-1.6112.4F262 L263 Q264 G270 D271 Y274F262-R266 HydrophobicContact CD1-CG 4.5Å; F262-R266 HydrophobicContact CE1-CG 4.06Å; F262-R266 HydrophobicContact CZ-CG 4.18Å; F262-R266 WeakPolarHBondContact O-CG 3.45Å; F262-R266 PolarHBondContact O-N 3.44Å; L263-R266 WeakPolarHBondContact O-CB 3.31Å; L263-R266 PolarHBondContact O-N 3.07Å; Q264-R266 PolarHBondContact O-N 3.34Å; R266-G270 PolarHBondContact O-N 3.3Å; R266-D271 WeakPolarHBondContact CD-OD2 3.36Å; R266-D271 IonicContact CZ-OD2 2.72Å; R266-D271 IonicContact NH1-OD2 2.88Å; R266-D271 PolarHBondContact NH1-OD2 2.86Å; R266-D271 WeakPolarHBondContact O-CB 3.5Å; R266-D271 PolarHBondContact O-N 2.84Å; R266-D271 VanDerWaalsContact O-N 3.11Å; R266-Y274 HydrophobicContact CB-CD1 4.13Å; R266-Y274 HydrophobicContact CB-CD2 3.75Å; R266-Y274 HydrophobicContact CB-CE1 4.4Å; R266-Y274 HydrophobicContact CB-CE2 4.03Å; R266-Y274 HydrophobicContact CB-CG 3.8Å; R266-Y274 HydrophobicContact CG-CD1 4.41Å; R266-Y274 HydrophobicContact CG-CD2 4.17Å; R266-Y274 HydrophobicContact CG-CE1 4.17Å; R266-Y274 HydrophobicContact CG-CE2 3.92Å; R266-Y274 HydrophobicContact CG-CG 4.41Å
267V87.9Confident86.9Confident37 Ų3760.2 Ų60.222%0.22431%0.305CS..Hα-helixtrans-68.9-41.6176.9178.30000111.5L263 Q264 N269 G270 I364 I366L263-V267 WeakPolarHBondContact O-CG2 3.38Å; L263-V267 PolarHBondContact O-N 3.41Å; L263-V267 VanDerWaalsContact O-N 3.08Å; Q264-V267 PolarHBondContact O-N 3.3Å; Q264-V267 VanDerWaalsContact O-N 3.1Å; V267-N269 VanDerWaalsContact C-N 3.31Å; V267-N269 PolarHBondContact O-N 2.98Å; V267-G270 WeakPolarHBondContact O-CA 3.45Å; V267-G270 PolarHBondContact O-N 2.76Å; V267-I364 WeakPolarHBondContact CG1-O 3.41Å; V267-I366 HydrophobicContact CG2-CD1 4.08Å; V267-I366 HydrophobicContact CG2-CG1 3.6Å
268E90.3Very high87.3Confident126 Ų12659.2 Ų59.259%0.58930%0.298SS*.Hα-helixtrans-63.5-35.2176.5-72.2170.7168.300112.4Q264 G270Q264-E268 HydrophobicContact CG-CG 4.24Å; Q264-E268 VanDerWaalsContact CG-OE1 3.31Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.39Å; Q264-E268 PolarHBondContact NE2-OE1 3.27Å; Q264-E268 WeakPolarHBondContact O-CB 3.42Å; Q264-E268 WeakPolarHBondContact O-CG 3.4Å; Q264-E268 PolarHBondContact O-N 3.06Å; E268-G270 PolarHBondContact O-N 3.26Å
269N87.6Confident87.9Confident126 Ų12656.6 Ų56.667%0.67428%0.284SS*.THydrogen-bonded Turntrans-70.5-7.9171.3-70.9-7.2000113.8R265 V267R265-N269 VanDerWaalsContact O-CB 3.29Å; R265-N269 WeakPolarHBondContact O-CB 3.38Å; R265-N269 PolarHBondContact O-N 3.4Å; R265-N269 PolarHBondContact O-ND2 3.39Å; R265-N269 PolarHBondContact O-OD1 2.97Å; V267-N269 VanDerWaalsContact C-N 3.31Å; V267-N269 PolarHBondContact O-N 2.98Å
270G82.3Confident88.3Confident53 Ų5355.8 Ų55.855%0.54628%0.28SS..THydrogen-bonded Turntrans81.916.3179.700000115.6R266 V267 E268 Q272R266-G270 PolarHBondContact O-N 3.3Å; V267-G270 WeakPolarHBondContact O-CA 3.45Å; V267-G270 PolarHBondContact O-N 2.76Å; E268-G270 PolarHBondContact O-N 3.26Å; G270-Q272 PolarHBondContact O-N 3.17Å
271D80.6Confident88.6Confident55 Ų5555.8 Ų55.829%0.29428%0.28SS..  trans-64.998.7176.7-86-31.9000110.5R266 L273 Y274R266-D271 WeakPolarHBondContact CD-OD2 3.36Å; R266-D271 IonicContact CZ-OD2 2.72Å; R266-D271 IonicContact NH1-OD2 2.88Å; R266-D271 PolarHBondContact NH1-OD2 2.86Å; R266-D271 WeakPolarHBondContact O-CB 3.5Å; R266-D271 PolarHBondContact O-N 2.84Å; R266-D271 VanDerWaalsContact O-N 3.11Å; D271-L273 PolarHBondContact O-N 3.28Å; D271-Y274 HydrophobicContact CB-CD2 3.71Å; D271-Y274 HydrophobicContact CB-CE2 4.32Å; D271-Y274 PolarHBondContact O-N 2.81Å
272Q80.5Confident88.7Confident149 Ų14954.5 Ų54.570%0.69627%0.267SS*.G310 helixtrans-54.4-25.8177.9-64.4-177.9-1.100113.1G270 Y274 Q275G270-Q272 PolarHBondContact O-N 3.17Å; Q272-Y274 PolarHBondContact O-N 2.87Å; Q272-Q275 WeakPolarHBondContact O-CB 3.34Å; Q272-Q275 PolarHBondContact O-N 3.42Å; Q272-Q275 VanDerWaalsContact O-N 3.15Å
273L79.6Confident88.9Confident90 Ų9053.8 Ų53.847%0.47127%0.268SS..G310 helixtrans-60.5-22175.9-60.9179000114.2D271 F330 G331 W333D271-L273 PolarHBondContact O-N 3.28Å; L273-F330 HydrophobicContact CD2-CB 4.18Å; L273-G331 PolarHBondContact O-N 3.28Å; L273-W333 PolarHBondContact O-NE1 3.36Å
274Y85.6Confident89Confident20 Ų2054.5 Ų54.58%0.07827%0.271CS..G310 helixtrans-101-4.6178.8-68.9-94.8000113.6F262 L263 R266 D271 Q272 Y276 W333 I366F262-Y274 HydrophobicContact CE1-CE1 4.33Å; L263-Y274 HydrophobicContact CD2-CD1 3.66Å; L263-Y274 HydrophobicContact CD2-CE1 3.87Å; R266-Y274 HydrophobicContact CB-CD1 4.13Å; R266-Y274 HydrophobicContact CB-CD2 3.75Å; R266-Y274 HydrophobicContact CB-CE1 4.4Å; R266-Y274 HydrophobicContact CB-CE2 4.03Å; R266-Y274 HydrophobicContact CB-CG 3.8Å; R266-Y274 HydrophobicContact CG-CD1 4.41Å; R266-Y274 HydrophobicContact CG-CD2 4.17Å; R266-Y274 HydrophobicContact CG-CE1 4.17Å; R266-Y274 HydrophobicContact CG-CE2 3.92Å; R266-Y274 HydrophobicContact CG-CG 4.41Å; D271-Y274 HydrophobicContact CB-CD2 3.71Å; D271-Y274 HydrophobicContact CB-CE2 4.32Å; D271-Y274 PolarHBondContact O-N 2.81Å; Q272-Y274 PolarHBondContact O-N 2.87Å; Y274-Y276 VanDerWaalsContact C-N 3.29Å; Y274-Y276 PolarHBondContact O-N 3.46Å; Y274-W333 AromaticContact CD1-CD1 3.67Å; Y274-W333 AromaticContact CD1-CD2 3.8Å; Y274-W333 HydrophobicContact CD1-CD2 3.8Å; Y274-W333 AromaticContact CD1-CE2 3.39Å; Y274-W333 AromaticContact CD1-CG 3.99Å; Y274-W333 HydrophobicContact CD1-CG 3.99Å; Y274-W333 AromaticContact CD1-CZ2 3.81Å; Y274-W333 HydrophobicContact CD1-CZ2 3.81Å; Y274-W333 AromaticContact CD1-NE1 3.34Å; Y274-W333 VanDerWaalsContact CD1-NE1 3.34Å; Y274-W333 HydrophobicContact CE1-CB 4.09Å; Y274-W333 AromaticContact CE1-CD1 3.48Å; Y274-W333 VanDerWaalsContact CE1-CD1 3.48Å; Y274-W333 AromaticContact CE1-CD2 3.66Å; Y274-W333 HydrophobicContact CE1-CD2 3.66Å; Y274-W333 AromaticContact CE1-CE2 3.77Å; Y274-W333 HydrophobicContact CE1-CE3 4.34Å; Y274-W333 AromaticContact CE1-CG 3.51Å; Y274-W333 HydrophobicContact CE1-CG 3.51Å; Y274-W333 AromaticContact CE1-NE1 3.68Å; Y274-W333 AromaticContact CG-NE1 3.72Å; Y274-W333 AromaticContact CZ-CD1 3.8Å; Y274-I366 WeakPolarHBondContact O-CG1 3.45Å
275Q88.3Confident88.9Confident70 Ų7055.1 Ų55.133%0.32728%0.282SS..SBendtrans-62.8-32.6-176.3-172.317913.100113.5Q272 T367Q272-Q275 WeakPolarHBondContact O-CB 3.34Å; Q272-Q275 PolarHBondContact O-N 3.42Å; Q272-Q275 VanDerWaalsContact O-N 3.15Å; Q275-T367 WeakPolarHBondContact O-CB 3.42Å; Q275-T367 PolarHBondContact O-N 3.48Å
276Y91.6Very high89Confident33 Ų3348.8 Ų48.813%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-129.2134.9-174.2-60.2-79.4000112.7Y274 I329 F330 T367 L369 Y591 F599Y274-Y276 VanDerWaalsContact C-N 3.29Å; Y274-Y276 PolarHBondContact O-N 3.46Å; Y276-I329 PolarHBondContact O-N 3.19Å; Y276-F330 HydrophobicContact CD2-CD2 4.02Å; Y276-F330 AromaticContact CD2-CE2 3.69Å; Y276-F330 HydrophobicContact CD2-CE2 3.69Å; Y276-F330 HydrophobicContact CE2-CE2 4.19Å; Y276-T367 WeakPolarHBondContact CA-O 3.16Å; Y276-T367 HydrophobicContact CD1-CG2 3.87Å; Y276-T367 HydrophobicContact CE1-CG2 3.88Å; Y276-L369 HydrophobicContact CD1-CD1 4.27Å; Y276-L369 HydrophobicContact CD1-CD2 3.61Å; Y276-L369 HydrophobicContact CD1-CG 4.02Å; Y276-L369 HydrophobicContact CE1-CD2 4.15Å; Y276-L369 HydrophobicContact CG-CD1 4.46Å; Y276-Y591 HydrophobicContact CE1-CE1 4.42Å; Y276-F599 AromaticContact CD1-CZ 3.93Å; Y276-F599 HydrophobicContact CD1-CZ 3.93Å; Y276-F599 HydrophobicContact CD2-CE1 4.26Å; Y276-F599 AromaticContact CD2-CZ 3.78Å; Y276-F599 HydrophobicContact CD2-CZ 3.78Å; Y276-F599 HydrophobicContact CE1-CE1 4.34Å; Y276-F599 AromaticContact CE1-CZ 3.87Å; Y276-F599 HydrophobicContact CE1-CZ 3.87Å; Y276-F599 AromaticContact CE2-CE1 3.77Å; Y276-F599 HydrophobicContact CE2-CE1 3.77Å; Y276-F599 AromaticContact CE2-CZ 3.71Å; Y276-F599 HydrophobicContact CE2-CZ 3.71Å; Y276-F599 AromaticContact CG-CZ 3.88Å; Y276-F599 HydrophobicContact CG-CZ 3.88Å; Y276-F599 AromaticContact CZ-CE1 3.82Å; Y276-F599 AromaticContact CZ-CZ 3.77Å
277C93.9Very high89Confident0 Ų050 Ų500%027%0.267CS..EExtended strand (participates in β ladder)trans-136.7157.6174.772.30000114A326 V327 W333 I366 T367 V368 L369C277-A326 HydrophobicContact CB-CB 4.4Å; C277-V327 CarbonylContact C-O 3.55Å; C277-V327 WeakPolarHBondContact CA-O 3.42Å; C277-V327 WeakPolarHBondContact CB-O 3.33Å; C277-W333 HydrophobicContact CB-CH2 4.05Å; C277-W333 HydrophobicContact CB-CZ2 4.12Å; C277-I366 HydrophobicContact CB-CG2 4.14Å; C277-I366 VanDerWaalsContact SG-CG2 3.56Å; C277-T367 PolarHBondContact N-O 2.82Å; C277-V368 WeakPolarHBondContact O-CA 3.14Å; C277-L369 PolarHBondContact O-N 3.29Å
278S95.3Very high89Confident0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-94.6142.8159.8177.70000108.9A326 V327 K606S278-A326 WeakPolarHBondContact O-CA 3.37Å; S278-V327 PolarHBondContact N-O 3.07Å; S278-V327 PolarHBondContact O-N 3.18Å; S278-K606 WeakPolarHBondContact CB-O 3.33Å; S278-K606 PolarHBondContact OG-O 2.74Å; S278-K606 VanDerWaalsContact OG-O 3.12Å
279L96.7Very high88.8Confident0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-112119.9178.4179.561.5000110.3L324 L337 L354 T357 I358 V368 A370 V371 T372L279-L324 HydrophobicContact CD1-CD2 4.25Å; L279-L337 HydrophobicContact CD1-CD1 3.79Å; L279-L354 HydrophobicContact CD2-CD2 3.63Å; L279-L354 HydrophobicContact CG-CD2 4.04Å; L279-T357 HydrophobicContact CD1-CG2 3.87Å; L279-T357 HydrophobicContact CD2-CG2 3.9Å; L279-I358 HydrophobicContact CD2-CD1 4.44Å; L279-I358 HydrophobicContact CD2-CG1 3.75Å; L279-V368 HydrophobicContact CB-CG1 4Å; L279-A370 PolarHBondContact N-O 3.15Å; L279-V371 HydrophobicContact CB-CG2 4.35Å; L279-V371 HydrophobicContact CD2-CG2 4.44Å; L279-V371 CarbonylContact O-C 3.59Å; L279-V371 VanDerWaalsContact O-CA 3.25Å; L279-V371 WeakPolarHBondContact O-CA 3.3Å; L279-T372 PolarHBondContact O-N 3.19Å
280L96.1Very high88.7Confident0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-104138-179.6-45.1-178.2000109.9M325 V327 S608 H611 L612L280-M325 PolarHBondContact N-O 2.94Å; L280-M325 PolarHBondContact O-N 3.26Å; L280-V327 HydrophobicContact CD1-CG2 3.68Å; L280-V327 HydrophobicContact CG-CG2 4.12Å; L280-S608 WeakPolarHBondContact CD1-O 3.37Å; L280-H611 HydrophobicContact CD1-CB 3.91Å; L280-L612 HydrophobicContact CB-CD1 4.15Å; L280-L612 HydrophobicContact CD1-CB 4.23Å
281I95.5Very high88.6Confident4 Ų447.7 Ų47.72%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-130.6131.7176-174.6172000111.4V322 L324 Q350 L354 V371 T372 M382 H609I281-V322 HydrophobicContact CD1-CG1 3.82Å; I281-V322 HydrophobicContact CG1-CG1 3.86Å; I281-L324 HydrophobicContact CB-CD2 3.94Å; I281-L324 HydrophobicContact CD1-CD2 4.06Å; I281-L324 HydrophobicContact CG1-CD2 3.98Å; I281-Q350 HydrophobicContact CD1-CB 3.87Å; I281-Q350 HydrophobicContact CD1-CG 4.22Å; I281-L354 HydrophobicContact CB-CD2 4.15Å; I281-L354 HydrophobicContact CD1-CD1 4.38Å; I281-L354 HydrophobicContact CD1-CD2 4.21Å; I281-L354 HydrophobicContact CD1-CG 3.97Å; I281-L354 HydrophobicContact CG2-CD1 4.27Å; I281-L354 HydrophobicContact CG2-CD2 4.15Å; I281-V371 HydrophobicContact CG2-CG1 4.45Å; I281-T372 WeakPolarHBondContact CG2-O 3.39Å; I281-T372 PolarHBondContact N-O 3.28Å; I281-M382 HydrophobicContact CD1-SD 4.14Å; I281-M382 HydrophobicContact CG2-CE 3.74Å; I281-M382 HydrophobicContact CG2-SD 4.21Å; I281-H609 PolarHBondContact O-CE1 2.97Å; I281-H609 PolarHBondContact O-NE2 2.96Å
282K91.6Very high88.7Confident30 Ų3052.2 Ų52.213%0.1325%0.25CS..EExtended strand (participates in β ladder)trans-141137.4175-171.3167.3-176178.80111.7L323 D374 L612 E613 L616K282-L323 PolarHBondContact N-O 3.31Å; K282-L323 VanDerWaalsContact N-O 3.12Å; K282-L323 PolarHBondContact O-N 3.39Å; K282-D374 VanDerWaalsContact CE-OD2 3.3Å; K282-D374 WeakPolarHBondContact CE-OD2 3.45Å; K282-L612 HydrophobicContact CB-CD1 3.8Å; K282-L612 HydrophobicContact CB-CD2 3.67Å; K282-L612 HydrophobicContact CB-CG 4.44Å; K282-L612 HydrophobicContact CD-CD2 3.6Å; K282-L612 HydrophobicContact CG-CD2 4.18Å; K282-E613 IonicContact NZ-OE1 2.68Å; K282-E613 PolarHBondContact NZ-OE1 2.87Å; K282-E613 IonicContact NZ-OE2 2.78Å; K282-E613 PolarHBondContact NZ-OE2 3.21Å; K282-L616 HydrophobicContact CD-CD1 4.07Å
283S90.7Very high88.6Confident32 Ų3245.6 Ų45.622%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-90.1138.1165.7-142.40000110E320 T321S283-E320 WeakPolarHBondContact CB-OE2 3.43Å; S283-E320 PolarHBondContact OG-OE2 2.9Å; S283-T321 CarbonylContact C-O 3.49Å; S283-T321 WeakPolarHBondContact CA-O 3.34Å
284I89.3Confident88.4Confident16 Ų1645.6 Ų45.68%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-123.9121.1-175.6-56.8150.1000107.3L286 E320 T321 L323 L616 F634I284-L286 PolarHBondContact O-N 3.35Å; I284-E320 CarbonylContact O-C 3.58Å; I284-E320 VanDerWaalsContact O-CA 3.22Å; I284-E320 WeakPolarHBondContact O-CA 3.23Å; I284-T321 PolarHBondContact N-O 2.87Å; I284-T321 PolarHBondContact O-N 3.38Å; I284-L323 HydrophobicContact CD1-CB 3.81Å; I284-L323 HydrophobicContact CD1-CD2 4.19Å; I284-L616 HydrophobicContact CD1-CD1 4.46Å; I284-L616 HydrophobicContact CD1-CD2 3.52Å; I284-L616 HydrophobicContact CG1-CD1 4.28Å; I284-L616 HydrophobicContact CG1-CD2 4.11Å; I284-F634 HydrophobicContact CD1-CE2 4.04Å; I284-F634 HydrophobicContact CD1-CZ 4.27Å
285P89.3Confident87.8Confident91 Ų9149.6 Ų49.659%0.59126%0.256SS*.EExtended strand (participates in β ladder)trans-66.1136.4178.128-34.2000111
286L89.1Confident87Confident14 Ų1448.9 Ų48.97%0.07326%0.258CS..  trans-110.2154.2175.1-64.3-178.7000110.6I284 Q288 A318 S319 T321 F341 P629 C631 F634I284-L286 PolarHBondContact O-N 3.35Å; L286-Q288 PolarHBondContact O-N 3.39Å; L286-A318 HydrophobicContact CD1-CB 4.44Å; L286-S319 PolarHBondContact N-O 3.43Å; L286-T321 WeakPolarHBondContact CD1-OG1 3.5Å; L286-T321 WeakPolarHBondContact CD2-OG1 3.4Å; L286-F341 HydrophobicContact CD1-CD1 3.74Å; L286-F341 HydrophobicContact CD1-CE1 3.97Å; L286-P629 WeakPolarHBondContact CA-O 3.39Å; L286-P629 HydrophobicContact CD2-CG 3.98Å; L286-P629 WeakPolarHBondContact CD2-O 3.45Å; L286-C631 VanDerWaalsContact CD1-SG 3.57Å; L286-F634 HydrophobicContact CD2-CB 4.38Å
287K87.4Confident86.1Confident104 Ų10454.3 Ų54.345%0.45229%0.285SS..  trans-78112.7164.1-172.1-174.6-179.6-158.90108.9Q289 P629 T630K287-Q289 PolarHBondContact O-N 3.3Å; K287-P629 PolarHBondContact N-O 2.81Å; K287-T630 HydrophobicContact CB-CG2 4.17Å; K287-T630 HydrophobicContact CD-CG2 4.31Å
288Q88.8Confident85.3Confident101 Ų10155.9 Ų55.947%0.47230%0.296SS..  trans-60.4106169.7-74.6179.4-41.300109.3L286 L317 A318L286-Q288 PolarHBondContact O-N 3.39Å; Q288-L317 HydrophobicContact CB-CB 4.4Å; Q288-L317 HydrophobicContact CB-CD1 4.39Å; Q288-L317 HydrophobicContact CG-CB 4.18Å; Q288-L317 PolarHBondContact NE2-O 3.47Å; Q288-A318 WeakPolarHBondContact CG-O 3.42Å
289Q85.1Confident84.5Confident69 Ų6959.4 Ų59.432%0.32231%0.314SS..  trans-156.7133.3176.8-170.2173.7-10.100109.5K287 H291 T630K287-Q289 PolarHBondContact O-N 3.3Å; Q289-H291 WeakPolarHBondContact CG-NE2 3.24Å; Q289-H291 PolarHBondContact NE2-CE1 2.96Å; Q289-H291 PolarHBondContact NE2-NE2 3.16Å; Q289-T630 HydrophobicContact CB-CG2 4.11Å
290L85.1Confident83.8Confident75 Ų7560.4 Ų60.439%0.39332%0.319SS..  trans-81.7137.9171.9-72.1-178.8000111.1L299 Q300 F302 L317L290-L299 HydrophobicContact CB-CD2 3.65Å; L290-L299 HydrophobicContact CD1-CD2 3.82Å; L290-L299 HydrophobicContact CD2-CD2 3.66Å; L290-L299 HydrophobicContact CG-CD2 3.89Å; L290-Q300 CarbonylContact C-O 3.5Å; L290-Q300 WeakPolarHBondContact CA-O 3.5Å; L290-F302 HydrophobicContact CD1-CZ 4.17Å; L290-F302 HydrophobicContact CD2-CD1 4.34Å; L290-F302 HydrophobicContact CD2-CD2 4.14Å; L290-F302 HydrophobicContact CD2-CE1 3.95Å; L290-F302 HydrophobicContact CD2-CE2 3.73Å; L290-F302 HydrophobicContact CD2-CG 4.44Å; L290-F302 HydrophobicContact CD2-CZ 3.64Å; L290-L317 HydrophobicContact CD1-CD2 4.13Å; L290-L317 HydrophobicContact CD2-CD2 3.34Å; L290-L317 HydrophobicContact CG-CD2 3.65Å
291H81Confident83.1Confident49 Ų4960.6 Ų60.623%0.22732%0.321CS..EExtended strand (participates in β ladder)trans-138.6128.5177.7-76.5-88000109.8Q289 D293 Q300 M632Q289-H291 WeakPolarHBondContact CG-NE2 3.24Å; Q289-H291 PolarHBondContact NE2-CE1 2.96Å; Q289-H291 PolarHBondContact NE2-NE2 3.16Å; H291-D293 PolarHBondContact O-N 2.84Å; H291-Q300 PolarHBondContact N-O 3.04Å; H291-Q300 PolarHBondContact O-N 3.49Å; H291-M632 HydrophobicContact CB-CE 3.71Å; H291-M632 HydrophobicContact CB-SD 4.28Å
292W81.6Confident82.6Confident150 Ų15062.3 Ų62.357%0.56833%0.328SS*.EExtended strand (participates in β ladder)trans-72.6126.5167.5-174.8-104.1000109.6P294 H297 L299W292-P294 WeakPolarHBondContact O-CD 3.38Å; W292-H297 WeakPolarHBondContact CH2-O 3.34Å; W292-H297 VanDerWaalsContact CZ2-C 3.43Å; W292-H297 HydrophobicContact CZ2-CB 4.32Å; W292-L299 HydrophobicContact CE3-CB 4.03Å; W292-L299 HydrophobicContact CE3-CD1 4.46Å; W292-L299 HydrophobicContact CE3-CG 4.11Å; W292-L299 HydrophobicContact CZ3-CB 4.24Å
293D78.7Confident82.3Confident10 Ų1061.6 Ų61.65%0.05333%0.326CS..EExtended strand (participates in β ladder)trans-102.3110.4171.5170.432.4000109.9H291 S295 S296 H297 S298 Q300H291-D293 PolarHBondContact O-N 2.84Å; D293-S295 VanDerWaalsContact CG-OG 3.24Å; D293-S295 PolarHBondContact O-N 2.88Å; D293-S295 PolarHBondContact OD1-N 3.01Å; D293-S295 PolarHBondContact OD1-OG 3.27Å; D293-S295 PolarHBondContact OD2-OG 3.4Å; D293-S296 PolarHBondContact O-N 3.32Å; D293-S296 VanDerWaalsContact OD2-CB 3.3Å; D293-S296 WeakPolarHBondContact OD2-CB 3.1Å; D293-S296 PolarHBondContact OD2-N 2.89Å; D293-S296 PolarHBondContact OD2-OG 3.37Å; D293-H297 PolarHBondContact O-N 2.87Å; D293-H297 VanDerWaalsContact O-N 3.09Å; D293-S298 PolarHBondContact N-O 3.32Å; D293-S298 PolarHBondContact O-N 2.96Å; D293-Q300 HydrophobicContact CB-CG 3.97Å; D293-Q300 VanDerWaalsContact CB-NE2 3.32Å; D293-Q300 PolarHBondContact OD2-NE2 2.9Å
294P76Confident82.1Confident90 Ų9061 Ų6158%0.58432%0.32SS*.THydrogen-bonded Turntrans-59.6-28.2178.4-22.433.3000113.3W292W292-P294 WeakPolarHBondContact O-CD 3.38Å
295S73.4Confident81.7Confident103 Ų10360.8 Ų60.872%0.7232%0.318SS*.THydrogen-bonded Turntrans-78.8-26.9-174.268.90000114.1D293D293-S295 VanDerWaalsContact CG-OG 3.24Å; D293-S295 PolarHBondContact O-N 2.88Å; D293-S295 PolarHBondContact OD1-N 3.01Å; D293-S295 PolarHBondContact OD1-OG 3.27Å; D293-S295 PolarHBondContact OD2-OG 3.4Å
296S70.3Confident81.1Confident55 Ų5556.4 Ų56.439%0.38529%0.29SS..THydrogen-bonded Turntrans-105.23.9173.159.50000113.4D293 S298 Q300D293-S296 PolarHBondContact O-N 3.32Å; D293-S296 VanDerWaalsContact OD2-CB 3.3Å; D293-S296 WeakPolarHBondContact OD2-CB 3.1Å; D293-S296 PolarHBondContact OD2-N 2.89Å; D293-S296 PolarHBondContact OD2-OG 3.37Å; S296-S298 WeakPolarHBondContact O-CB 3.39Å; S296-S298 PolarHBondContact O-N 3.39Å; S296-S298 VanDerWaalsContact O-N 3.1Å; S296-S298 PolarHBondContact OG-OG 3.42Å; S296-Q300 PolarHBondContact OG-NE2 2.92Å
297H74.3Confident80.4Confident148 Ų14857 Ų5769%0.68529%0.293SS*.THydrogen-bonded Turntrans43.440.9-172.2-67-87.7000112.8W292 D293W292-H297 WeakPolarHBondContact CH2-O 3.34Å; W292-H297 VanDerWaalsContact CZ2-C 3.43Å; W292-H297 HydrophobicContact CZ2-CB 4.32Å; D293-H297 PolarHBondContact O-N 2.87Å; D293-H297 VanDerWaalsContact O-N 3.09Å
298S75.4Confident79.5Confident33 Ų3353.2 Ų53.223%0.23128%0.284CS..EExtended strand (participates in β ladder)trans-145.7153.1-171.178.90000113.5D293 S296 Q300 K309D293-S298 PolarHBondContact N-O 3.32Å; D293-S298 PolarHBondContact O-N 2.96Å; S296-S298 WeakPolarHBondContact O-CB 3.39Å; S296-S298 PolarHBondContact O-N 3.39Å; S296-S298 VanDerWaalsContact O-N 3.1Å; S296-S298 PolarHBondContact OG-OG 3.42Å; S298-Q300 PolarHBondContact O-N 3.08Å; S298-K309 PolarHBondContact OG-NZ 2.89Å
299L79.6Confident78.4Confident73 Ų7351.5 Ų51.538%0.38228%0.275SS..EExtended strand (participates in β ladder)trans-87.8108.2-174.2-141160.7000109.3L290 W292 F302 K309L290-L299 HydrophobicContact CB-CD2 3.65Å; L290-L299 HydrophobicContact CD1-CD2 3.82Å; L290-L299 HydrophobicContact CD2-CD2 3.66Å; L290-L299 HydrophobicContact CG-CD2 3.89Å; W292-L299 HydrophobicContact CE3-CB 4.03Å; W292-L299 HydrophobicContact CE3-CD1 4.46Å; W292-L299 HydrophobicContact CE3-CG 4.11Å; W292-L299 HydrophobicContact CZ3-CB 4.24Å; L299-F302 HydrophobicContact CB-CE2 4.32Å; L299-F302 HydrophobicContact CD2-CE2 4.15Å; L299-F302 HydrophobicContact CD2-CZ 4.48Å; L299-F302 WeakPolarHBondContact O-CD2 3.48Å; L299-F302 WeakPolarHBondContact O-CE2 3.32Å; L299-K309 VanDerWaalsContact O-CE 3.29Å; L299-K309 WeakPolarHBondContact O-CE 3.29Å; L299-K309 PolarHBondContact O-NZ 2.84Å
300Q80.9Confident77.3Confident22 Ų2249.6 Ų49.610%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-93.9149.3-175.3-62.8-171.11.800112L290 H291 D293 S296 S298L290-Q300 CarbonylContact C-O 3.5Å; L290-Q300 WeakPolarHBondContact CA-O 3.5Å; H291-Q300 PolarHBondContact N-O 3.04Å; H291-Q300 PolarHBondContact O-N 3.49Å; D293-Q300 HydrophobicContact CB-CG 3.97Å; D293-Q300 VanDerWaalsContact CB-NE2 3.32Å; D293-Q300 PolarHBondContact OD2-NE2 2.9Å; S296-Q300 PolarHBondContact OG-NE2 2.92Å; S298-Q300 PolarHBondContact O-N 3.08Å
301G81.4Confident76.1Confident4 Ų454 Ų544%0.04129%0.291CS..  trans132.6-12.3178.300000114.6A318G301-A318 PolarHBondContact O-N 3.09Å
302F85.4Confident75.3Confident40 Ų4053 Ų5318%0.17529%0.291CS..BIsolated β-bridgetrans-74163.7174.5-56.4-75.3000113.4L290 L299 K309 T315 L317L290-F302 HydrophobicContact CD1-CZ 4.17Å; L290-F302 HydrophobicContact CD2-CD1 4.34Å; L290-F302 HydrophobicContact CD2-CD2 4.14Å; L290-F302 HydrophobicContact CD2-CE1 3.95Å; L290-F302 HydrophobicContact CD2-CE2 3.73Å; L290-F302 HydrophobicContact CD2-CG 4.44Å; L290-F302 HydrophobicContact CD2-CZ 3.64Å; L299-F302 HydrophobicContact CB-CE2 4.32Å; L299-F302 HydrophobicContact CD2-CE2 4.15Å; L299-F302 HydrophobicContact CD2-CZ 4.48Å; L299-F302 WeakPolarHBondContact O-CD2 3.48Å; L299-F302 WeakPolarHBondContact O-CE2 3.32Å; F302-K309 HydrophobicContact CD2-CD 4.36Å; F302-T315 WeakPolarHBondContact CD1-O 3.22Å; F302-T315 VanDerWaalsContact CD1-OG1 3.26Å; F302-T315 WeakPolarHBondContact CD1-OG1 3.2Å; F302-T315 VanDerWaalsContact CE1-OG1 3.3Å; F302-T315 WeakPolarHBondContact CE1-OG1 3.5Å; F302-L317 HydrophobicContact CD1-CD2 3.91Å; F302-L317 HydrophobicContact CE1-CD2 3.94Å
303M85.7Confident74.5Confident15 Ų1554.2 Ų54.27%0.07431%0.308CS..  trans-54.2132.8165.2-179.5-174.6-69.300111.4L187 Q191 F305 P316 F341 N343L187-M303 HydrophobicContact CD1-CE 3.73Å; L187-M303 HydrophobicContact CD1-SD 4.13Å; Q191-M303 PolarHBondContact NE2-SD 3.1Å; M303-F305 HydrophobicContact CG-CE2 4.12Å; M303-F305 HydrophobicContact CG-CZ 4.1Å; M303-F305 HydrophobicContact SD-CE2 3.62Å; M303-F305 HydrophobicContact SD-CZ 3.62Å; M303-P316 HydrophobicContact CB-CG 4.36Å; M303-P316 HydrophobicContact CE-CB 4.5Å; M303-P316 HydrophobicContact CE-CG 3.81Å; M303-P316 PolarHBondContact N-O 3.07Å; M303-P316 HydrophobicContact SD-CG 4.31Å; M303-F341 WeakPolarHBondContact CG-O 3.27Å; M303-N343 HydrophobicContact CE-CB 3.57Å
304D85.6Confident74.1Confident18 Ų1860.4 Ų60.410%0.09634%0.337CS..BIsolated β-bridgetrans-148.1116.6173.2-176.48.2000109.6P253 G306 L307 G308 F341P253-D304 HydrophobicContact CB-CB 4.18Å; P253-D304 WeakPolarHBondContact CB-O 3.48Å; P253-D304 HydrophobicContact CG-CB 4.06Å; D304-G306 PolarHBondContact O-N 3.47Å; D304-G306 WeakPolarHBondContact OD1-CA 3.33Å; D304-G306 PolarHBondContact OD1-N 3.22Å; D304-L307 PolarHBondContact OD1-N 3.47Å; D304-L307 VanDerWaalsContact OD1-N 3.13Å; D304-G308 PolarHBondContact OD1-N 2.97Å; D304-F341 PolarHBondContact N-O 3.43Å; D304-F341 PolarHBondContact O-N 2.9Å
305F81.7Confident73.9Confident12 Ų1256.9 Ų56.95%0.05331%0.314CS..SBendtrans-82.71.7174.6-62.7-63.3000113.3T218 L221 L246 M303 F340 V342 L349T218-F305 HydrophobicContact CG2-CE2 4.32Å; L221-F305 HydrophobicContact CD1-CB 4.05Å; L221-F305 HydrophobicContact CD1-CD1 3.54Å; L221-F305 HydrophobicContact CD1-CD2 4.07Å; L221-F305 HydrophobicContact CD1-CE1 3.92Å; L221-F305 HydrophobicContact CD1-CE2 4.42Å; L221-F305 HydrophobicContact CD1-CG 3.62Å; L221-F305 HydrophobicContact CD1-CZ 4.35Å; L246-F305 HydrophobicContact CD2-CB 4.13Å; L246-F305 VanDerWaalsContact CD2-O 3.28Å; L246-F305 WeakPolarHBondContact CD2-O 3.34Å; M303-F305 HydrophobicContact CG-CE2 4.12Å; M303-F305 HydrophobicContact CG-CZ 4.1Å; M303-F305 HydrophobicContact SD-CE2 3.62Å; M303-F305 HydrophobicContact SD-CZ 3.62Å; F305-F340 HydrophobicContact CB-CD1 4.39Å; F305-F340 WeakPolarHBondContact O-CD1 3.4Å; F305-F340 WeakPolarHBondContact O-CE1 3.32Å; F305-V342 HydrophobicContact CD1-CG1 4.28Å; F305-V342 HydrophobicContact CE1-CG1 3.68Å; F305-L349 HydrophobicContact CE1-CD1 3.96Å; F305-L349 HydrophobicContact CZ-CD1 4.06Å
306G77.4Confident74.3Confident0 Ų053 Ų530%029%0.287CS..SBendtrans100.721.7-177.400000114.7K248 P253 D304K248-G306 WeakPolarHBondContact CD-O 3.48Å; K248-G306 WeakPolarHBondContact CE-O 3.42Å; K248-G306 PolarHBondContact NZ-O 3.06Å; P253-G306 WeakPolarHBondContact O-CA 3.44Å; D304-G306 PolarHBondContact O-N 3.47Å; D304-G306 WeakPolarHBondContact OD1-CA 3.33Å; D304-G306 PolarHBondContact OD1-N 3.22Å
307L73.1Confident75.1Confident26 Ų2653.1 Ų53.114%0.13628%0.282CS..SBendtrans-110-0.8170-79170.6000113.1K213 Q214 C217 W245 L246 D304K213-L307 VanDerWaalsContact C-CD1 3.48Å; K213-L307 HydrophobicContact CB-CD1 3.92Å; K213-L307 HydrophobicContact CB-CD2 4.2Å; K213-L307 WeakPolarHBondContact O-CD1 3.21Å; Q214-L307 HydrophobicContact CG-CB 3.59Å; Q214-L307 HydrophobicContact CG-CD1 4.14Å; C217-L307 HydrophobicContact CB-CD1 3.86Å; W245-L307 HydrophobicContact CB-CD2 4.26Å; W245-L307 VanDerWaalsContact O-CD2 3.26Å; W245-L307 WeakPolarHBondContact O-CD2 3.45Å; L246-L307 HydrophobicContact CD2-CD1 4.41Å; L246-L307 HydrophobicContact CD2-CG 4.42Å; D304-L307 PolarHBondContact OD1-N 3.47Å; D304-L307 VanDerWaalsContact OD1-N 3.13Å
308G68.9Low75.8Confident25 Ų2546.1 Ų46.126%0.25825%0.25SC..  trans91.6179.4-171.700000110.9Q214 D304Q214-G308 PolarHBondContact NE2-O 3.26Å; D304-G308 PolarHBondContact OD1-N 2.97Å
309K66.8Low76.5Confident64 Ų6445.5 Ų45.528%0.27825%0.245SC..  trans-85.8162-175.9-56.8167-1631640110.8Q214 S298 L299 F302Q214-K309 PolarHBondContact NE2-O 2.97Å; S298-K309 PolarHBondContact OG-NZ 2.89Å; L299-K309 VanDerWaalsContact O-CE 3.29Å; L299-K309 WeakPolarHBondContact O-CE 3.29Å; L299-K309 PolarHBondContact O-NZ 2.84Å; F302-K309 HydrophobicContact CD2-CD 4.36Å
310L61.4Low77.1Confident30 Ų3044.1 Ų44.116%0.15724%0.237CC..  trans-106130.8157.9-74156.7000105.6Q191 F192 E211 Q214 A312 T315Q191-L310 HydrophobicContact CB-CD1 4.14Å; F192-L310 HydrophobicContact CD1-CD1 4.22Å; F192-L310 HydrophobicContact CE1-CD1 3.47Å; F192-L310 VanDerWaalsContact CE1-CD1 3.47Å; F192-L310 HydrophobicContact CZ-CD1 3.63Å; E211-L310 HydrophobicContact CB-CD2 4.4Å; E211-L310 HydrophobicContact CG-CD2 3.86Å; Q214-L310 HydrophobicContact CB-CD1 4.35Å; Q214-L310 VanDerWaalsContact OE1-CD2 3.25Å; L310-A312 VanDerWaalsContact C-N 3.25Å; L310-A312 PolarHBondContact O-N 3.01Å; L310-T315 HydrophobicContact CB-CG2 4.42Å
311D59.3Low77.6Confident168 Ų16843 Ų4390%0.89823%0.232SC*.  trans-79.982.5169.8-71.6-31.8000107.8
312A64.2Low78.2Confident28 Ų2842.9 Ų42.923%0.23123%0.23CC..  trans-132134.817200000109.7L310 E314 T315L310-A312 VanDerWaalsContact C-N 3.25Å; L310-A312 PolarHBondContact O-N 3.01Å; A312-E314 PolarHBondContact O-N 2.83Å; A312-T315 HydrophobicContact CB-CG2 4.06Å; A312-T315 WeakPolarHBondContact O-CB 3.28Å; A312-T315 WeakPolarHBondContact O-CG2 3.45Å; A312-T315 PolarHBondContact O-N 2.96Å; A312-T315 PolarHBondContact O-OG1 3.07Å
313D64.6Low78.6Confident175 Ų17541 Ų4194%0.93622%0.222SC*.THydrogen-bonded Turntrans-61.3-29.4-168.7-62.9-35.2000113.4T315D313-T315 VanDerWaalsContact C-N 3.35Å
314E69.9Low79Confident139 Ų13940.2 Ų40.265%0.6522%0.218SC*.THydrogen-bonded Turntrans-88.46.5179.9-59.7-171.9168.900113.7A190 A312A190-E314 WeakPolarHBondContact CA-OE2 3.48Å; A190-E314 HydrophobicContact CB-CB 3.66Å; A312-E314 PolarHBondContact O-N 2.83Å
315T73.7Confident79.4Confident17 Ų1739.5 Ų39.510%0.10421%0.214CC..PPolyproline II helixtrans-60.8127-175.243.20000113Q191 F302 L310 A312 D313Q191-T315 HydrophobicContact CG-CG2 4.42Å; F302-T315 WeakPolarHBondContact CD1-O 3.22Å; F302-T315 VanDerWaalsContact CD1-OG1 3.26Å; F302-T315 WeakPolarHBondContact CD1-OG1 3.2Å; F302-T315 VanDerWaalsContact CE1-OG1 3.3Å; F302-T315 WeakPolarHBondContact CE1-OG1 3.5Å; L310-T315 HydrophobicContact CB-CG2 4.42Å; A312-T315 HydrophobicContact CB-CG2 4.06Å; A312-T315 WeakPolarHBondContact O-CB 3.28Å; A312-T315 WeakPolarHBondContact O-CG2 3.45Å; A312-T315 PolarHBondContact O-N 2.96Å; A312-T315 PolarHBondContact O-OG1 3.07Å; D313-T315 VanDerWaalsContact C-N 3.35Å
316P81.4Confident80Confident22 Ų2238.9 Ų38.914%0.14321%0.212CC..PPolyproline II helixtrans-71.1135.6-17424.4-33.2000113.1M303 N343M303-P316 HydrophobicContact CB-CG 4.36Å; M303-P316 HydrophobicContact CE-CB 4.5Å; M303-P316 HydrophobicContact CE-CG 3.81Å; M303-P316 PolarHBondContact N-O 3.07Å; M303-P316 HydrophobicContact SD-CG 4.31Å; P316-N343 HydrophobicContact CB-CB 4.02Å; P316-N343 WeakPolarHBondContact CB-ND2 3.11Å
317L87Confident80.6Confident57 Ų5739 Ų3930%0.29821%0.212SC..BIsolated β-bridgetrans-65.1134170.4-58.5-175.3000111.4Q288 L290 F302 S319 N343Q288-L317 HydrophobicContact CB-CB 4.4Å; Q288-L317 HydrophobicContact CB-CD1 4.39Å; Q288-L317 HydrophobicContact CG-CB 4.18Å; Q288-L317 PolarHBondContact NE2-O 3.47Å; L290-L317 HydrophobicContact CD1-CD2 4.13Å; L290-L317 HydrophobicContact CD2-CD2 3.34Å; L290-L317 HydrophobicContact CG-CD2 3.65Å; F302-L317 HydrophobicContact CD1-CD2 3.91Å; F302-L317 HydrophobicContact CE1-CD2 3.94Å; L317-S319 PolarHBondContact O-N 2.92Å; L317-N343 WeakPolarHBondContact O-CB 3.48Å
318A88.8Confident81.3Confident0 Ų037.7 Ų37.70%021%0.205CC..PPolyproline II helixtrans-69.2122.9177.400000110.9L286 Q288 G301 F341 V342L286-A318 HydrophobicContact CD1-CB 4.44Å; Q288-A318 WeakPolarHBondContact CG-O 3.42Å; G301-A318 PolarHBondContact O-N 3.09Å; A318-F341 HydrophobicContact CB-CB 3.85Å; A318-V342 CarbonylContact C-O 3.36Å; A318-V342 WeakPolarHBondContact CA-O 3.42Å
319S90.1Very high82.2Confident20 Ų2036.8 Ų36.814%0.1420%0.195CC..  trans-95.2-21.7177.170.90000112.6L286 L317 V342 R344L286-S319 PolarHBondContact N-O 3.43Å; L317-S319 PolarHBondContact O-N 2.92Å; S319-V342 PolarHBondContact N-O 3.03Å; S319-R344 PolarHBondContact OG-N 2.82Å
320E91.6Very high82.6Confident44 Ų4435.8 Ų35.821%0.20619%0.19CC..EExtended strand (participates in β ladder)trans-146.3154.3-173.2-66176.7-158.300111.7S283 I284 V342 A345S283-E320 WeakPolarHBondContact CB-OE2 3.43Å; S283-E320 PolarHBondContact OG-OE2 2.9Å; I284-E320 CarbonylContact O-C 3.58Å; I284-E320 VanDerWaalsContact O-CA 3.22Å; I284-E320 WeakPolarHBondContact O-CA 3.23Å; E320-V342 HydrophobicContact CB-CG2 3.97Å; E320-V342 PolarHBondContact N-O 3.49Å; E320-V342 PolarHBondContact O-N 3.45Å; E320-V342 VanDerWaalsContact O-O 3.13Å; E320-A345 VanDerWaalsContact OE2-CB 3.22Å; E320-A345 WeakPolarHBondContact OE2-CB 3.41Å
321T92.3Very high82.7Confident0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-109.2125.1164.2-54.50000109.9S283 I284 L286 Y339 F340 F341 F634S283-T321 CarbonylContact C-O 3.49Å; S283-T321 WeakPolarHBondContact CA-O 3.34Å; I284-T321 PolarHBondContact N-O 2.87Å; I284-T321 PolarHBondContact O-N 3.38Å; L286-T321 WeakPolarHBondContact CD1-OG1 3.5Å; L286-T321 WeakPolarHBondContact CD2-OG1 3.4Å; T321-Y339 HydrophobicContact CG2-CD2 3.89Å; T321-Y339 HydrophobicContact CG2-CG 4.26Å; T321-F340 CarbonylContact C-O 3.53Å; T321-F340 WeakPolarHBondContact CA-O 3.39Å; T321-F341 HydrophobicContact CG2-CD1 4.23Å; T321-F341 HydrophobicContact CG2-CE1 4.32Å; T321-F341 WeakPolarHBondContact OG1-CD1 3.37Å; T321-F341 WeakPolarHBondContact OG1-CE1 3.41Å; T321-F634 HydrophobicContact CG2-CD1 4.36Å; T321-F634 HydrophobicContact CG2-CE1 3.8Å; T321-F634 HydrophobicContact CG2-CZ 3.93Å
322V93.4Very high83.1Confident0 Ų029.8 Ų29.80%016%0.157CC..EExtended strand (participates in β ladder)trans-86.8118165.3-179.20000108.7I281 Y339 F340 V342 A345 Q350 L353I281-V322 HydrophobicContact CD1-CG1 3.82Å; I281-V322 HydrophobicContact CG1-CG1 3.86Å; V322-Y339 CarbonylContact O-C 3.53Å; V322-Y339 VanDerWaalsContact O-CA 3.24Å; V322-Y339 WeakPolarHBondContact O-CA 3.45Å; V322-F340 PolarHBondContact N-O 3.03Å; V322-F340 PolarHBondContact O-N 2.82Å; V322-V342 HydrophobicContact CG2-CG1 4.44Å; V322-V342 HydrophobicContact CG2-CG2 4.01Å; V322-A345 HydrophobicContact CG2-CB 4.02Å; V322-Q350 HydrophobicContact CG2-CG 4.39Å; V322-L353 HydrophobicContact CB-CD1 4.2Å; V322-L353 HydrophobicContact CG1-CD1 3.94Å; V322-L353 HydrophobicContact CG2-CD1 4.49Å
323L93.3Very high83.8Confident0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-105136176.8178.566.4000110.5K282 I284 P336 L612 F615 L616 Y638K282-L323 PolarHBondContact N-O 3.31Å; K282-L323 VanDerWaalsContact N-O 3.12Å; K282-L323 PolarHBondContact O-N 3.39Å; I284-L323 HydrophobicContact CD1-CB 3.81Å; I284-L323 HydrophobicContact CD1-CD2 4.19Å; L323-P336 HydrophobicContact CD1-CB 4.36Å; L323-L612 HydrophobicContact CD2-CD1 4.3Å; L323-L612 HydrophobicContact CD2-CD2 4.13Å; L323-L612 HydrophobicContact CD2-CG 4.01Å; L323-L612 HydrophobicContact CG-CD1 4.45Å; L323-F615 HydrophobicContact CD1-CE1 4.27Å; L323-F615 HydrophobicContact CD2-CD1 3.79Å; L323-F615 HydrophobicContact CD2-CE1 3.92Å; L323-L616 HydrophobicContact CD2-CD2 4.11Å; L323-Y638 HydrophobicContact CD1-CE2 4.08Å
324L95Very high84.8Confident0 Ų021.1 Ų21.10%011%0.105CC..EExtended strand (participates in β ladder)trans-119.4131.3177.4-75.2155.9000110.6F255 L279 I281 P336 L337 G338 F340 L353 L354 T357F255-L324 HydrophobicContact CE1-CD1 4.29Å; L279-L324 HydrophobicContact CD1-CD2 4.25Å; I281-L324 HydrophobicContact CB-CD2 3.94Å; I281-L324 HydrophobicContact CD1-CD2 4.06Å; I281-L324 HydrophobicContact CG1-CD2 3.98Å; L324-P336 CarbonylContact O-C 3.56Å; L324-L337 PolarHBondContact O-N 3.43Å; L324-G338 PolarHBondContact N-O 2.91Å; L324-G338 VanDerWaalsContact N-O 3.07Å; L324-F340 HydrophobicContact CD1-CD2 4.27Å; L324-F340 HydrophobicContact CD1-CE2 3.82Å; L324-L353 HydrophobicContact CD1-CB 4.39Å; L324-L354 HydrophobicContact CD2-CD2 3.87Å; L324-T357 WeakPolarHBondContact CD1-OG1 3.03Å
325M93.7Very high85.6Confident2 Ų215 Ų151%0.018%0.077CC..EExtended strand (participates in β ladder)trans-136.8132.4-178.9174.4169.3-72.800111.5L280 V327 R334 T335 P336 H611 L612 F615L280-M325 PolarHBondContact N-O 2.94Å; L280-M325 PolarHBondContact O-N 3.26Å; M325-V327 HydrophobicContact CG-CG2 4.41Å; M325-R334 HydrophobicContact SD-CB 4.47Å; M325-T335 WeakPolarHBondContact CA-O 3.39Å; M325-P336 HydrophobicContact CE-CB 3.98Å; M325-P336 HydrophobicContact CE-CG 4.5Å; M325-H611 HydrophobicContact SD-CB 4.49Å; M325-L612 HydrophobicContact CB-CD1 4.42Å; M325-L612 HydrophobicContact SD-CB 4.42Å; M325-F615 HydrophobicContact CE-CB 3.71Å; M325-F615 HydrophobicContact CE-CD1 4.06Å; M325-F615 HydrophobicContact CE-CD2 4.16Å; M325-F615 HydrophobicContact CE-CG 3.72Å
326A93.4Very high86.3Confident0 Ų014.3 Ų14.30%07%0.073CC..EExtended strand (participates in β ladder)trans-92.9142168.400000110.7C277 S278 W333 R334 T335 L337C277-A326 HydrophobicContact CB-CB 4.4Å; S278-A326 WeakPolarHBondContact O-CA 3.37Å; A326-W333 HydrophobicContact CB-CH2 3.91Å; A326-W333 HydrophobicContact CB-CZ3 3.77Å; A326-R334 CarbonylContact O-C 3.52Å; A326-R334 WeakPolarHBondContact O-CA 3.26Å; A326-T335 PolarHBondContact N-O 3.21Å; A326-T335 PolarHBondContact O-N 2.7Å; A326-L337 HydrophobicContact CB-CD1 4Å; A326-L337 HydrophobicContact CB-CD2 4.02Å; A326-L337 HydrophobicContact CB-CG 4.09Å
327V91.1Very high86.8Confident1 Ų113.2 Ų13.21%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-125.4123.6173.5-179.30000108.6C277 S278 L280 M325 R334 K606 H611C277-V327 CarbonylContact C-O 3.55Å; C277-V327 WeakPolarHBondContact CA-O 3.42Å; C277-V327 WeakPolarHBondContact CB-O 3.33Å; S278-V327 PolarHBondContact N-O 3.07Å; S278-V327 PolarHBondContact O-N 3.18Å; L280-V327 HydrophobicContact CD1-CG2 3.68Å; L280-V327 HydrophobicContact CG-CG2 4.12Å; M325-V327 HydrophobicContact CG-CG2 4.41Å; V327-R334 HydrophobicContact CB-CB 4.5Å; V327-R334 HydrophobicContact CG2-CB 4.02Å; V327-K606 HydrophobicContact CG1-CD 4.04Å; V327-H611 HydrophobicContact CG2-CB 3.88Å
328G87.9Confident87Confident0 Ų010.6 Ų10.60%05%0.052CC..EExtended strand (participates in β ladder)trans-65.1136.8177.700000111.9G331 W333 K606G328-G331 CarbonylContact C-O 3.53Å; G328-W333 PolarHBondContact N-O 3.31Å; G328-K606 WeakPolarHBondContact O-CD 3.47Å; G328-K606 WeakPolarHBondContact O-CE 3.24Å; G328-K606 PolarHBondContact O-NZ 2.95Å
329I88.2Confident87.2Confident6 Ų610.7 Ų10.73%0.0315%0.053CC..SBendtrans-73.6-55.8179.2-60.3-66.8000110Y276 L369 F599 L602 K606 F607Y276-I329 PolarHBondContact O-N 3.19Å; I329-L369 HydrophobicContact CD1-CD1 4.15Å; I329-L369 HydrophobicContact CG1-CD1 3.79Å; I329-L369 HydrophobicContact CG1-CG 4.4Å; I329-L369 HydrophobicContact CG2-CD1 4.39Å; I329-F599 HydrophobicContact CG2-CE2 4.45Å; I329-L602 HydrophobicContact CG2-CD1 3.62Å; I329-K606 HydrophobicContact CD1-CB 4.21Å; I329-K606 WeakPolarHBondContact O-CE 3.43Å; I329-K606 PolarHBondContact O-NZ 3.43Å; I329-F607 HydrophobicContact CD1-CE1 3.79Å; I329-F607 HydrophobicContact CD1-CZ 4.04Å
330F74.5Confident87.2Confident43 Ų439.7 Ų9.719%0.1895%0.046CC..SBendtrans-89.4-42.3177.7-60.6-61.7000112.8L273 Y276 F599 P600L273-F330 HydrophobicContact CD2-CB 4.18Å; Y276-F330 HydrophobicContact CD2-CD2 4.02Å; Y276-F330 AromaticContact CD2-CE2 3.69Å; Y276-F330 HydrophobicContact CD2-CE2 3.69Å; Y276-F330 HydrophobicContact CE2-CE2 4.19Å; F330-F599 HydrophobicContact CE1-CB 4.44Å; F330-F599 HydrophobicContact CE1-CD2 4.24Å; F330-F599 HydrophobicContact CE1-CG 4.36Å; F330-F599 HydrophobicContact CE2-CD1 4.25Å; F330-F599 HydrophobicContact CE2-CD2 4.13Å; F330-F599 HydrophobicContact CE2-CE1 4.02Å; F330-F599 AromaticContact CE2-CE2 3.9Å; F330-F599 HydrophobicContact CE2-CE2 3.9Å; F330-F599 HydrophobicContact CE2-CG 4.3Å; F330-F599 AromaticContact CE2-CZ 3.84Å; F330-F599 HydrophobicContact CE2-CZ 3.84Å; F330-F599 HydrophobicContact CZ-CB 3.96Å; F330-F599 AromaticContact CZ-CD1 3.78Å; F330-F599 HydrophobicContact CZ-CD1 3.78Å; F330-F599 AromaticContact CZ-CD2 3.44Å; F330-F599 HydrophobicContact CZ-CD2 3.44Å; F330-F599 VanDerWaalsContact CZ-CD2 3.44Å; F330-F599 HydrophobicContact CZ-CE1 4.01Å; F330-F599 AromaticContact CZ-CE2 3.69Å; F330-F599 HydrophobicContact CZ-CE2 3.69Å; F330-F599 AromaticContact CZ-CG 3.48Å; F330-F599 HydrophobicContact CZ-CG 3.48Å; F330-F599 VanDerWaalsContact CZ-CG 3.48Å; F330-F599 AromaticContact CZ-CZ 3.96Å; F330-F599 HydrophobicContact CZ-CZ 3.96Å; F330-P600 HydrophobicContact CE1-CG 4.24Å
331G63.3Low87.2Confident4 Ų48 Ų84%0.0414%0.038CC..SBendtrans-72.2144.1172.400000112.1L273 G328 W333 K606L273-G331 PolarHBondContact O-N 3.28Å; G328-G331 CarbonylContact C-O 3.53Å; G331-W333 PolarHBondContact O-N 3.38Å; G331-W333 VanDerWaalsContact O-N 3.15Å; G331-K606 PolarHBondContact O-NZ 3.42Å
332H68.1Low87Confident67 Ų678 Ų831%0.314%0.038SC..SBendtrans-81.525.2172.2-67.8-82.8000113.1V826H332-V826 VanDerWaalsContact CE1-CG1 3.41Å; H332-V826 WeakPolarHBondContact CE1-CG1 3.4Å; H332-V826 WeakPolarHBondContact NE2-CG1 3.5Å
333W79.3Confident86.6Confident8 Ų810.3 Ų10.33%0.035%0.05CC..  trans-87.8146.6176.670.2-96.5000110.6L263 L273 Y274 C277 A326 G328 G331 T335 I366 V651L263-W333 HydrophobicContact CD1-CH2 4.5Å; L263-W333 HydrophobicContact CD1-CZ3 4.41Å; L263-W333 HydrophobicContact CD2-CE3 4.11Å; L263-W333 HydrophobicContact CD2-CH2 3.84Å; L263-W333 HydrophobicContact CD2-CZ2 4.35Å; L263-W333 HydrophobicContact CD2-CZ3 3.71Å; L273-W333 PolarHBondContact O-NE1 3.36Å; Y274-W333 AromaticContact CD1-CD1 3.67Å; Y274-W333 AromaticContact CD1-CD2 3.8Å; Y274-W333 HydrophobicContact CD1-CD2 3.8Å; Y274-W333 AromaticContact CD1-CE2 3.39Å; Y274-W333 AromaticContact CD1-CG 3.99Å; Y274-W333 HydrophobicContact CD1-CG 3.99Å; Y274-W333 AromaticContact CD1-CZ2 3.81Å; Y274-W333 HydrophobicContact CD1-CZ2 3.81Å; Y274-W333 AromaticContact CD1-NE1 3.34Å; Y274-W333 VanDerWaalsContact CD1-NE1 3.34Å; Y274-W333 HydrophobicContact CE1-CB 4.09Å; Y274-W333 AromaticContact CE1-CD1 3.48Å; Y274-W333 VanDerWaalsContact CE1-CD1 3.48Å; Y274-W333 AromaticContact CE1-CD2 3.66Å; Y274-W333 HydrophobicContact CE1-CD2 3.66Å; Y274-W333 AromaticContact CE1-CE2 3.77Å; Y274-W333 HydrophobicContact CE1-CE3 4.34Å; Y274-W333 AromaticContact CE1-CG 3.51Å; Y274-W333 HydrophobicContact CE1-CG 3.51Å; Y274-W333 AromaticContact CE1-NE1 3.68Å; Y274-W333 AromaticContact CG-NE1 3.72Å; Y274-W333 AromaticContact CZ-CD1 3.8Å; C277-W333 HydrophobicContact CB-CH2 4.05Å; C277-W333 HydrophobicContact CB-CZ2 4.12Å; A326-W333 HydrophobicContact CB-CH2 3.91Å; A326-W333 HydrophobicContact CB-CZ3 3.77Å; G328-W333 PolarHBondContact N-O 3.31Å; G331-W333 PolarHBondContact O-N 3.38Å; G331-W333 VanDerWaalsContact O-N 3.15Å; W333-T335 HydrophobicContact CE3-CG2 4.48Å; W333-T335 HydrophobicContact CZ3-CG2 4.07Å; W333-I366 HydrophobicContact CH2-CD1 4.43Å; W333-V651 HydrophobicContact CB-CB 3.88Å; W333-V651 HydrophobicContact CB-CG1 3.81Å; W333-V651 HydrophobicContact CB-CG2 4.21Å
334R84.9Confident86Confident14 Ų1419.3 Ų19.35%0.0538%0.084CC..EExtended strand (participates in β ladder)trans-145.6141.3167.961-175.5167-147.7-19.1108M325 A326 V327 H611 V651 F652 S654M325-R334 HydrophobicContact SD-CB 4.47Å; A326-R334 CarbonylContact O-C 3.52Å; A326-R334 WeakPolarHBondContact O-CA 3.26Å; V327-R334 HydrophobicContact CB-CB 4.5Å; V327-R334 HydrophobicContact CG2-CB 4.02Å; R334-H611 WeakPolarHBondContact CD-CE1 3.46Å; R334-H611 PolarHBondContact NH1-CE1 3.38Å; R334-V651 WeakPolarHBondContact O-CG1 3.42Å; R334-F652 HydrophobicContact CG-CB 4.14Å; R334-F652 PolarHBondContact NE-O 3.06Å; R334-F652 PolarHBondContact NH2-O 3.01Å; R334-F652 WeakPolarHBondContact O-CB 3.22Å; R334-S654 VanDerWaalsContact NH2-N 3.19Å; R334-S654 PolarHBondContact NH2-OG 3.35Å
335T85.4Confident85.2Confident10 Ų1019.4 Ų19.46%0.0619%0.085CC..EExtended strand (participates in β ladder)trans-147.9134-176.5-148.40000111I259 L263 M325 A326 W333 L337I259-T335 HydrophobicContact CG2-CG2 3.4Å; I259-T335 VanDerWaalsContact CG2-CG2 3.4Å; L263-T335 HydrophobicContact CD1-CG2 4.06Å; M325-T335 WeakPolarHBondContact CA-O 3.39Å; A326-T335 PolarHBondContact N-O 3.21Å; A326-T335 PolarHBondContact O-N 2.7Å; W333-T335 HydrophobicContact CE3-CG2 4.48Å; W333-T335 HydrophobicContact CZ3-CG2 4.07Å; T335-L337 HydrophobicContact CG2-CD2 3.85Å; T335-L337 PolarHBondContact O-N 2.94Å
336P90Very high84.9Confident2 Ų220.8 Ų20.81%0.01310%0.095CC..EExtended strand (participates in β ladder)trans-72.6120.3173.733.3-34.6000108.4I259 L323 L324 M325 F615 Y638 F652I259-P336 WeakPolarHBondContact CD1-O 3.39Å; L323-P336 HydrophobicContact CD1-CB 4.36Å; L324-P336 CarbonylContact O-C 3.56Å; M325-P336 HydrophobicContact CE-CB 3.98Å; M325-P336 HydrophobicContact CE-CG 4.5Å; P336-F615 HydrophobicContact CB-CE1 4.2Å; P336-F615 HydrophobicContact CB-CE2 4.44Å; P336-F615 HydrophobicContact CB-CZ 4.03Å; P336-F615 HydrophobicContact CG-CE1 4.48Å; P336-F615 HydrophobicContact CG-CE2 3.89Å; P336-F615 HydrophobicContact CG-CZ 3.82Å; P336-Y638 HydrophobicContact CB-CE2 4.09Å; P336-Y638 WeakPolarHBondContact CB-OH 3.31Å; P336-Y638 HydrophobicContact CG-CE2 4.32Å; P336-Y638 WeakPolarHBondContact CG-OH 3.49Å; P336-Y638 PolarHBondContact O-OH 3.28Å; P336-F652 HydrophobicContact CG-CE2 4.18Å; P336-F652 HydrophobicContact CG-CZ 4.35Å
337L91.1Very high84.5Confident0 Ų020.8 Ų20.80%010%0.095CC..EExtended strand (participates in β ladder)trans-81-26.4-174.3-63.2178.5000112.6N256 I259 F260 L263 L279 L324 A326 T335 T357 L361N256-L337 PolarHBondContact N-O 3.47Å; I259-L337 HydrophobicContact CG2-CD2 4.43Å; F260-L337 HydrophobicContact CE1-CD1 4.47Å; F260-L337 HydrophobicContact CE1-CD2 3.92Å; F260-L337 HydrophobicContact CE2-CB 4.11Å; F260-L337 HydrophobicContact CE2-CD2 4.42Å; F260-L337 WeakPolarHBondContact CE2-O 3.37Å; F260-L337 HydrophobicContact CZ-CB 3.82Å; F260-L337 HydrophobicContact CZ-CD1 4.15Å; F260-L337 HydrophobicContact CZ-CD2 3.84Å; F260-L337 HydrophobicContact CZ-CG 4.15Å; L263-L337 HydrophobicContact CD1-CD2 4.07Å; L279-L337 HydrophobicContact CD1-CD1 3.79Å; L324-L337 PolarHBondContact O-N 3.43Å; A326-L337 HydrophobicContact CB-CD1 4Å; A326-L337 HydrophobicContact CB-CD2 4.02Å; A326-L337 HydrophobicContact CB-CG 4.09Å; T335-L337 HydrophobicContact CG2-CD2 3.85Å; T335-L337 PolarHBondContact O-N 2.94Å; L337-T357 HydrophobicContact CD1-CG2 3.47Å; L337-T357 VanDerWaalsContact CD1-CG2 3.47Å; L337-L361 HydrophobicContact CD1-CD1 3.97Å; L337-L361 HydrophobicContact CD1-CD2 4.31Å; L337-L361 HydrophobicContact CD1-CG 4.35Å; L337-L361 HydrophobicContact CD2-CD2 4.32Å
338G90.7Very high84.4Confident1 Ų126.7 Ų26.71%0.0112%0.118CC..EExtended strand (participates in β ladder)trans166.4166-174.800000112G254 L324G254-G338 WeakPolarHBondContact O-CA 3.27Å; L324-G338 PolarHBondContact N-O 2.91Å; L324-G338 VanDerWaalsContact N-O 3.07Å
339Y92.8Very high84.4Confident2 Ų227.3 Ų27.31%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-141.8151.1175.969.4-89.7000110.5S252 P253 G254 T321 V322 F341 F634 Q635 Y638S252-Y339 VanDerWaalsContact C-OH 3.28Å; S252-Y339 WeakPolarHBondContact CA-OH 3.49Å; P253-Y339 CarbonylContact C-O 3.54Å; P253-Y339 VanDerWaalsContact CA-O 3.3Å; P253-Y339 WeakPolarHBondContact CA-O 3.23Å; P253-Y339 HydrophobicContact CB-CE2 4.31Å; P253-Y339 HydrophobicContact CG-CE2 3.91Å; G254-Y339 PolarHBondContact N-O 3.1Å; G254-Y339 PolarHBondContact O-N 3.2Å; T321-Y339 HydrophobicContact CG2-CD2 3.89Å; T321-Y339 HydrophobicContact CG2-CG 4.26Å; V322-Y339 CarbonylContact O-C 3.53Å; V322-Y339 VanDerWaalsContact O-CA 3.24Å; V322-Y339 WeakPolarHBondContact O-CA 3.45Å; Y339-F341 HydrophobicContact CD2-CE1 4.17Å; Y339-F341 HydrophobicContact CD2-CZ 4.3Å; Y339-F341 HydrophobicContact CE2-CE1 4.02Å; Y339-F341 HydrophobicContact CE2-CE2 4.06Å; Y339-F341 AromaticContact CE2-CZ 3.68Å; Y339-F341 HydrophobicContact CE2-CZ 3.68Å; Y339-F634 HydrophobicContact CD1-CE1 4.3Å; Y339-F634 HydrophobicContact CD2-CD1 4.13Å; Y339-F634 AromaticContact CD2-CE1 3.71Å; Y339-F634 HydrophobicContact CD2-CE1 3.71Å; Y339-F634 HydrophobicContact CE2-CD1 4.17Å; Y339-F634 HydrophobicContact CE2-CE1 4.14Å; Y339-F634 AromaticContact CG-CE1 3.81Å; Y339-F634 HydrophobicContact CG-CE1 3.81Å; Y339-Q635 WeakPolarHBondContact OH-CG 3.48Å; Y339-Y638 HydrophobicContact CD1-CD1 4.14Å; Y339-Y638 AromaticContact CD1-CD2 3.79Å; Y339-Y638 HydrophobicContact CD1-CD2 3.79Å; Y339-Y638 HydrophobicContact CD1-CE1 4.06Å; Y339-Y638 AromaticContact CD1-CE2 3.68Å; Y339-Y638 HydrophobicContact CD1-CE2 3.68Å; Y339-Y638 HydrophobicContact CD1-CG 4.02Å; Y339-Y638 AromaticContact CD1-CZ 3.82Å; Y339-Y638 AromaticContact CE1-CD1 3.72Å; Y339-Y638 HydrophobicContact CE1-CD1 3.72Å; Y339-Y638 HydrophobicContact CE1-CD2 4.07Å; Y339-Y638 AromaticContact CE1-CE1 3.94Å; Y339-Y638 HydrophobicContact CE1-CE1 3.94Å; Y339-Y638 HydrophobicContact CE1-CE2 4.25Å; Y339-Y638 AromaticContact CE1-CG 3.8Å; Y339-Y638 HydrophobicContact CE1-CG 3.8Å
340F91.8Very high84.6Confident0 Ų027.6 Ų27.60%012%0.122CC..EExtended strand (participates in β ladder)trans-134.5128.1-171.3-61.3-100000109.5F255 F305 T321 V322 L324 V342 L353F255-F340 HydrophobicContact CD1-CE2 4.35Å; F255-F340 HydrophobicContact CD1-CZ 4.01Å; F255-F340 HydrophobicContact CD2-CZ 4.19Å; F255-F340 HydrophobicContact CE1-CE2 4.08Å; F255-F340 AromaticContact CE1-CZ 3.81Å; F255-F340 HydrophobicContact CE1-CZ 3.81Å; F255-F340 HydrophobicContact CE2-CZ 4.01Å; F255-F340 HydrophobicContact CG-CZ 4.19Å; F255-F340 HydrophobicContact CZ-CE2 4.41Å; F255-F340 AromaticContact CZ-CZ 3.81Å; F255-F340 HydrophobicContact CZ-CZ 3.81Å; F305-F340 HydrophobicContact CB-CD1 4.39Å; F305-F340 WeakPolarHBondContact O-CD1 3.4Å; F305-F340 WeakPolarHBondContact O-CE1 3.32Å; T321-F340 CarbonylContact C-O 3.53Å; T321-F340 WeakPolarHBondContact CA-O 3.39Å; V322-F340 PolarHBondContact N-O 3.03Å; V322-F340 PolarHBondContact O-N 2.82Å; L324-F340 HydrophobicContact CD1-CD2 4.27Å; L324-F340 HydrophobicContact CD1-CE2 3.82Å; F340-V342 HydrophobicContact CB-CG1 4.45Å; F340-L353 HydrophobicContact CB-CD1 4.4Å; F340-L353 HydrophobicContact CD1-CD2 3.81Å; F340-L353 HydrophobicContact CD2-CD1 4.29Å; F340-L353 HydrophobicContact CD2-CD2 4.18Å; F340-L353 HydrophobicContact CE1-CD2 3.79Å; F340-L353 HydrophobicContact CE2-CD2 4.19Å; F340-L353 HydrophobicContact CG-CD1 4.23Å; F340-L353 HydrophobicContact CG-CD2 4.04Å; F340-L353 HydrophobicContact CZ-CD2 4Å
341F90.9Very high85.5Confident7 Ų725.6 Ų25.63%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-87.8121.8177.4-69.3-39.7000109.9P253 L286 M303 D304 A318 T321 Y339 C631 F634 Q635P253-F341 HydrophobicContact CB-CD2 4.35Å; P253-F341 HydrophobicContact CG-CD2 3.39Å; P253-F341 HydrophobicContact CG-CE2 3.54Å; P253-F341 HydrophobicContact CG-CG 4.26Å; L286-F341 HydrophobicContact CD1-CD1 3.74Å; L286-F341 HydrophobicContact CD1-CE1 3.97Å; M303-F341 WeakPolarHBondContact CG-O 3.27Å; D304-F341 PolarHBondContact N-O 3.43Å; D304-F341 PolarHBondContact O-N 2.9Å; A318-F341 HydrophobicContact CB-CB 3.85Å; T321-F341 HydrophobicContact CG2-CD1 4.23Å; T321-F341 HydrophobicContact CG2-CE1 4.32Å; T321-F341 WeakPolarHBondContact OG1-CD1 3.37Å; T321-F341 WeakPolarHBondContact OG1-CE1 3.41Å; Y339-F341 HydrophobicContact CD2-CE1 4.17Å; Y339-F341 HydrophobicContact CD2-CZ 4.3Å; Y339-F341 HydrophobicContact CE2-CE1 4.02Å; Y339-F341 HydrophobicContact CE2-CE2 4.06Å; Y339-F341 AromaticContact CE2-CZ 3.68Å; Y339-F341 HydrophobicContact CE2-CZ 3.68Å; F341-C631 HydrophobicContact CD2-CB 4.32Å; F341-C631 HydrophobicContact CE1-CB 4.15Å; F341-C631 HydrophobicContact CE2-CB 3.92Å; F341-C631 HydrophobicContact CZ-CB 3.83Å; F341-C631 WeakPolarHBondContact CZ-O 3.26Å; F341-F634 AromaticContact CE1-CD1 3.99Å; F341-F634 HydrophobicContact CE1-CD1 3.99Å; F341-F634 HydrophobicContact CE1-CG 4.49Å; F341-F634 HydrophobicContact CZ-CD1 4.29Å; F341-Q635 HydrophobicContact CZ-CB 4.35Å
342V88.3Confident86.8Confident0 Ų026.1 Ų26.10%012%0.115CC..EExtended strand (participates in β ladder)trans-132.7149.8-172.6-54.10000111.7F305 A318 S319 E320 V322 F340 A345 L349F305-V342 HydrophobicContact CD1-CG1 4.28Å; F305-V342 HydrophobicContact CE1-CG1 3.68Å; A318-V342 CarbonylContact C-O 3.36Å; A318-V342 WeakPolarHBondContact CA-O 3.42Å; S319-V342 PolarHBondContact N-O 3.03Å; E320-V342 HydrophobicContact CB-CG2 3.97Å; E320-V342 PolarHBondContact N-O 3.49Å; E320-V342 PolarHBondContact O-N 3.45Å; E320-V342 VanDerWaalsContact O-O 3.13Å; V322-V342 HydrophobicContact CG2-CG1 4.44Å; V322-V342 HydrophobicContact CG2-CG2 4.01Å; F340-V342 HydrophobicContact CB-CG1 4.45Å; V342-A345 HydrophobicContact CG2-CB 3.79Å; V342-L349 HydrophobicContact CG1-CD2 4.23Å
343N85.3Confident87.9Confident50 Ų5022.9 Ų22.927%0.26710%0.1SC..SBendtrans-96.5117.7163.4-172.510.5000107.4M303 P316 L317M303-N343 HydrophobicContact CE-CB 3.57Å; P316-N343 HydrophobicContact CB-CB 4.02Å; P316-N343 WeakPolarHBondContact CB-ND2 3.11Å; L317-N343 WeakPolarHBondContact O-CB 3.48Å
344R80.9Confident88.6Confident189 Ų18922.5 Ų22.571%0.71310%0.099SC*.SBendtrans50.191.8-177.8-60.8178.7-179.2-160.4-0.3114.2S319 S346S319-R344 PolarHBondContact OG-N 2.82Å; R344-S346 PolarHBondContact O-N 3.42Å
345A78.2Confident89Confident1 Ų124.7 Ų24.71%0.00811%0.107CC..  trans-68.6103.1-177.500000112.7E320 V322 V342 Q350E320-A345 VanDerWaalsContact OE2-CB 3.22Å; E320-A345 WeakPolarHBondContact OE2-CB 3.41Å; V322-A345 HydrophobicContact CG2-CB 4.02Å; V342-A345 HydrophobicContact CG2-CB 3.79Å; A345-Q350 HydrophobicContact CB-CG 4.38Å
346S85.6Confident89.3Confident31 Ų3124.4 Ų24.422%0.21711%0.105CC..  trans-71.3149.6172.380.40000111.7R344 Y348 L349 Q350R344-S346 PolarHBondContact O-N 3.42Å; S346-Y348 PolarHBondContact O-N 3.09Å; S346-L349 PolarHBondContact O-N 3.26Å; S346-L349 VanDerWaalsContact O-N 3.15Å; S346-L349 WeakPolarHBondContact OG-CB 3.32Å; S346-L349 PolarHBondContact OG-N 3.33Å; S346-L349 VanDerWaalsContact OG-N 3.14Å; S346-Q350 PolarHBondContact O-N 3.07Å
347G86.4Confident89.5Confident0 Ų024.3 Ų24.30%010%0.104CC..Hα-helixtrans-63.5-29.3176.800000112.6A351 H378 M382G347-A351 WeakPolarHBondContact O-CB 3.37Å; G347-A351 PolarHBondContact O-N 3.01Å; G347-H378 VanDerWaalsContact CA-O 3.27Å; G347-H378 WeakPolarHBondContact CA-O 3.18Å; G347-M382 VanDerWaalsContact O-CA 3.29Å; G347-M382 WeakPolarHBondContact O-CA 3.32Å; G347-M382 WeakPolarHBondContact O-CB 3.4Å
348Y87.9Confident89.7Confident126 Ų12624.3 Ų24.349%0.49410%0.104SC..Hα-helixtrans-64.6-46.1172.3-66.3-67.7000112S346 Q350 A351 Q352 Q381 A385S346-Y348 PolarHBondContact O-N 3.09Å; Y348-Q350 PolarHBondContact O-N 2.95Å; Y348-A351 WeakPolarHBondContact O-CB 3.2Å; Y348-A351 PolarHBondContact O-N 2.96Å; Y348-Q352 WeakPolarHBondContact O-CG 3.32Å; Y348-Q352 PolarHBondContact O-N 2.83Å; Y348-Q381 HydrophobicContact CD2-CG 4.22Å; Y348-Q381 HydrophobicContact CE2-CG 3.98Å; Y348-A385 HydrophobicContact CD1-CB 3.51Å; Y348-A385 HydrophobicContact CE1-CB 3.78Å
349L88.9Confident89.7Confident12 Ų1224.2 Ų24.26%0.06310%0.104CC..Hα-helixtrans-61.7-45.3178.1-177.2153.7000111.2L221 F305 V342 S346 A351 Q352 L353L221-L349 HydrophobicContact CB-CG 4.44Å; L221-L349 WeakPolarHBondContact O-CA 3.41Å; F305-L349 HydrophobicContact CE1-CD1 3.96Å; F305-L349 HydrophobicContact CZ-CD1 4.06Å; V342-L349 HydrophobicContact CG1-CD2 4.23Å; S346-L349 PolarHBondContact O-N 3.26Å; S346-L349 VanDerWaalsContact O-N 3.15Å; S346-L349 WeakPolarHBondContact OG-CB 3.32Å; S346-L349 PolarHBondContact OG-N 3.33Å; S346-L349 VanDerWaalsContact OG-N 3.14Å; L349-A351 VanDerWaalsContact C-N 3.33Å; L349-A351 PolarHBondContact O-N 3.42Å; L349-Q352 PolarHBondContact O-N 3.39Å; L349-L353 HydrophobicContact CD2-CD1 3.66Å; L349-L353 HydrophobicContact CD2-CG 4.24Å; L349-L353 PolarHBondContact O-N 3.17Å
350Q91.9Very high89.7Confident13 Ų1325.5 Ų25.56%0.06111%0.109CC..Hα-helixtrans-61-40.3174.9-67178.6-12.500111.9I281 V322 A345 S346 Y348 Q352 L353 L354 M382I281-Q350 HydrophobicContact CD1-CB 3.87Å; I281-Q350 HydrophobicContact CD1-CG 4.22Å; V322-Q350 HydrophobicContact CG2-CG 4.39Å; A345-Q350 HydrophobicContact CB-CG 4.38Å; S346-Q350 PolarHBondContact O-N 3.07Å; Y348-Q350 PolarHBondContact O-N 2.95Å; Q350-Q352 PolarHBondContact O-N 2.9Å; Q350-L353 PolarHBondContact O-N 3Å; Q350-L354 WeakPolarHBondContact O-CG 3.11Å; Q350-L354 PolarHBondContact O-N 2.99Å; Q350-M382 HydrophobicContact CB-CG 4.2Å; Q350-M382 HydrophobicContact CB-SD 3.41Å; Q350-M382 WeakPolarHBondContact CB-SD 3.44Å
351A92.7Very high89.7Confident0 Ų025.5 Ų25.50%011%0.109CC..Hα-helixtrans-62.9-37.7174.400000112.9G347 Y348 L349 R355 M382 A385 L386G347-A351 WeakPolarHBondContact O-CB 3.37Å; G347-A351 PolarHBondContact O-N 3.01Å; Y348-A351 WeakPolarHBondContact O-CB 3.2Å; Y348-A351 PolarHBondContact O-N 2.96Å; L349-A351 VanDerWaalsContact C-N 3.33Å; L349-A351 PolarHBondContact O-N 3.42Å; A351-R355 VanDerWaalsContact O-CG 3.28Å; A351-R355 WeakPolarHBondContact O-CG 3.41Å; A351-R355 PolarHBondContact O-N 3.06Å; A351-M382 HydrophobicContact CB-CG 4Å; A351-A385 HydrophobicContact CB-CB 3.81Å; A351-L386 HydrophobicContact CB-CD2 4.03Å; A351-L386 HydrophobicContact CB-CG 4.09Å
352Q90.9Very high89.8Confident15 Ų1527.2 Ų27.27%0.0712%0.122CC..Hα-helixtrans-70.7-41175.9-60.3-56.7-17.800112.1Y220 L221 S224 Y348 L349 Q350 L354 R355 L356Y220-Q352 HydrophobicContact CD1-CB 4.49Å; Y220-Q352 HydrophobicContact CE1-CB 4.16Å; L221-Q352 HydrophobicContact CD2-CB 4.12Å; S224-Q352 PolarHBondContact OG-NE2 3.09Å; Y348-Q352 WeakPolarHBondContact O-CG 3.32Å; Y348-Q352 PolarHBondContact O-N 2.83Å; L349-Q352 PolarHBondContact O-N 3.39Å; Q350-Q352 PolarHBondContact O-N 2.9Å; Q352-L354 VanDerWaalsContact C-N 3.31Å; Q352-L354 PolarHBondContact O-N 3.18Å; Q352-R355 PolarHBondContact O-N 2.77Å; Q352-L356 WeakPolarHBondContact O-CG 3.34Å; Q352-L356 PolarHBondContact O-N 3.09Å
353L92.2Very high89.9Confident0 Ų031.9 Ų31.90%015%0.147CC..Hα-helixtrans-57.7-44172.4-73175.9000111.4L221 V322 L324 F340 L349 Q350 L356 T357L221-L353 HydrophobicContact CD1-CD2 4.4Å; L221-L353 HydrophobicContact CD2-CD2 3.59Å; L221-L353 HydrophobicContact CD2-CG 3.94Å; V322-L353 HydrophobicContact CB-CD1 4.2Å; V322-L353 HydrophobicContact CG1-CD1 3.94Å; V322-L353 HydrophobicContact CG2-CD1 4.49Å; L324-L353 HydrophobicContact CD1-CB 4.39Å; F340-L353 HydrophobicContact CB-CD1 4.4Å; F340-L353 HydrophobicContact CD1-CD2 3.81Å; F340-L353 HydrophobicContact CD2-CD1 4.29Å; F340-L353 HydrophobicContact CD2-CD2 4.18Å; F340-L353 HydrophobicContact CE1-CD2 3.79Å; F340-L353 HydrophobicContact CE2-CD2 4.19Å; F340-L353 HydrophobicContact CG-CD1 4.23Å; F340-L353 HydrophobicContact CG-CD2 4.04Å; F340-L353 HydrophobicContact CZ-CD2 4Å; L349-L353 HydrophobicContact CD2-CD1 3.66Å; L349-L353 HydrophobicContact CD2-CG 4.24Å; L349-L353 PolarHBondContact O-N 3.17Å; Q350-L353 PolarHBondContact O-N 3Å; L353-L356 PolarHBondContact O-N 2.99Å; L353-T357 WeakPolarHBondContact O-CB 3.19Å; L353-T357 PolarHBondContact O-N 3.32Å; L353-T357 PolarHBondContact O-OG1 2.89Å
354L94.3Very high90.1Very high0 Ų030.6 Ų30.60%014%0.14CC..Hα-helixtrans-59.7-47.9173.4-75171.7000112L279 I281 L324 Q350 Q352 L356 T357 I358 V371 M382 L386L279-L354 HydrophobicContact CD2-CD2 3.63Å; L279-L354 HydrophobicContact CG-CD2 4.04Å; I281-L354 HydrophobicContact CB-CD2 4.15Å; I281-L354 HydrophobicContact CD1-CD1 4.38Å; I281-L354 HydrophobicContact CD1-CD2 4.21Å; I281-L354 HydrophobicContact CD1-CG 3.97Å; I281-L354 HydrophobicContact CG2-CD1 4.27Å; I281-L354 HydrophobicContact CG2-CD2 4.15Å; L324-L354 HydrophobicContact CD2-CD2 3.87Å; Q350-L354 WeakPolarHBondContact O-CG 3.11Å; Q350-L354 PolarHBondContact O-N 2.99Å; Q352-L354 VanDerWaalsContact C-N 3.31Å; Q352-L354 PolarHBondContact O-N 3.18Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 3.4Å; L354-T357 PolarHBondContact O-N 3.32Å; L354-T357 VanDerWaalsContact O-N 3.14Å; L354-I358 HydrophobicContact CB-CD1 4.42Å; L354-I358 WeakPolarHBondContact O-CB 3.46Å; L354-I358 WeakPolarHBondContact O-CD1 3.37Å; L354-I358 WeakPolarHBondContact O-CG1 3.24Å; L354-I358 PolarHBondContact O-N 3.37Å; L354-V371 HydrophobicContact CD1-CG1 3.81Å; L354-V371 HydrophobicContact CD2-CG1 3.87Å; L354-V371 HydrophobicContact CD2-CG2 4.33Å; L354-M382 HydrophobicContact CD1-CE 4.18Å; L354-M382 HydrophobicContact CD1-CG 4.14Å; L354-M382 HydrophobicContact CD1-SD 3.47Å; L354-M382 WeakPolarHBondContact CD1-SD 3.38Å; L354-M382 HydrophobicContact CG-SD 4.46Å; L354-L386 HydrophobicContact CD1-CD1 3.91Å
355R92.7Very high90.6Very high60 Ų6023.6 Ų23.623%0.22613%0.126CC..Hα-helixtrans-58.8-40.8178.7-71.3172.7-174.1-81.72.2112.2A351 Q352 G359 A385 L386 P402A351-R355 VanDerWaalsContact O-CG 3.28Å; A351-R355 WeakPolarHBondContact O-CG 3.41Å; A351-R355 PolarHBondContact O-N 3.06Å; Q352-R355 PolarHBondContact O-N 2.77Å; R355-G359 PolarHBondContact O-N 3.29Å; R355-G359 VanDerWaalsContact O-N 3.1Å; R355-A385 PolarHBondContact NH2-O 2.96Å; R355-L386 HydrophobicContact CG-CD2 4.21Å; R355-P402 HydrophobicContact CB-CB 4.39Å; R355-P402 HydrophobicContact CB-CG 3.92Å; R355-P402 HydrophobicContact CG-CG 3.98Å
356L91.9Very high91.2Very high3 Ų323.6 Ų23.62%0.01613%0.126CC..Hα-helixtrans-66-43.7174.6-68.3166.7000111.8Y220 L221 L242 R243 L246 F255 Q352 L353 L354 G359 K360Y220-L356 HydrophobicContact CD1-CD1 4.01Å; Y220-L356 HydrophobicContact CD1-CD2 4.35Å; Y220-L356 HydrophobicContact CD1-CG 4.4Å; Y220-L356 HydrophobicContact CE1-CD1 3.83Å; Y220-L356 HydrophobicContact CE1-CD2 3.75Å; Y220-L356 HydrophobicContact CE1-CG 3.74Å; L221-L356 HydrophobicContact CD2-CD1 3.73Å; L242-L356 HydrophobicContact CB-CD2 4.33Å; R243-L356 WeakPolarHBondContact CD-O 3.41Å; R243-L356 HydrophobicContact CG-CB 4.34Å; R243-L356 HydrophobicContact CG-CD2 3.72Å; L246-L356 HydrophobicContact CD1-CD1 3.79Å; F255-L356 HydrophobicContact CE2-CB 4.32Å; F255-L356 HydrophobicContact CZ-CB 4.2Å; Q352-L356 WeakPolarHBondContact O-CG 3.34Å; Q352-L356 PolarHBondContact O-N 3.09Å; L353-L356 PolarHBondContact O-N 2.99Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 3.4Å; L356-G359 PolarHBondContact O-N 3.29Å; L356-K360 WeakPolarHBondContact O-CB 3.5Å; L356-K360 PolarHBondContact O-N 3.42Å
357T94.3Very high91.6Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-65.3-47.6-179.1-52.40000112.1F255 L279 L324 L337 L353 L354 G359 K360 L361F255-T357 HydrophobicContact CE1-CG2 4.19Å; F255-T357 VanDerWaalsContact CE1-OG1 3.26Å; F255-T357 WeakPolarHBondContact CE1-OG1 3.12Å; F255-T357 WeakPolarHBondContact CZ-OG1 3.35Å; L279-T357 HydrophobicContact CD1-CG2 3.87Å; L279-T357 HydrophobicContact CD2-CG2 3.9Å; L324-T357 WeakPolarHBondContact CD1-OG1 3.03Å; L337-T357 HydrophobicContact CD1-CG2 3.47Å; L337-T357 VanDerWaalsContact CD1-CG2 3.47Å; L353-T357 WeakPolarHBondContact O-CB 3.19Å; L353-T357 PolarHBondContact O-N 3.32Å; L353-T357 PolarHBondContact O-OG1 2.89Å; L354-T357 PolarHBondContact O-N 3.32Å; L354-T357 VanDerWaalsContact O-N 3.14Å; T357-G359 VanDerWaalsContact C-N 3.31Å; T357-G359 PolarHBondContact O-N 2.58Å; T357-K360 PolarHBondContact O-N 3.23Å; T357-K360 VanDerWaalsContact O-N 3.14Å; T357-L361 HydrophobicContact CG2-CD1 4.41Å; T357-L361 PolarHBondContact O-N 2.86Å
358I94.8Very high92Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-58.4-46.1175.2-68.1162.3000109.8L279 L354 K360 L361 S362 V368 V371 F399 H401 P402 I409L279-I358 HydrophobicContact CD2-CD1 4.44Å; L279-I358 HydrophobicContact CD2-CG1 3.75Å; L354-I358 HydrophobicContact CB-CD1 4.42Å; L354-I358 WeakPolarHBondContact O-CB 3.46Å; L354-I358 WeakPolarHBondContact O-CD1 3.37Å; L354-I358 WeakPolarHBondContact O-CG1 3.24Å; L354-I358 PolarHBondContact O-N 3.37Å; I358-K360 VanDerWaalsContact C-N 3.33Å; I358-K360 PolarHBondContact O-N 2.81Å; I358-L361 PolarHBondContact O-N 1.95Å; I358-S362 WeakPolarHBondContact O-CB 3.42Å; I358-S362 PolarHBondContact O-N 2.86Å; I358-V368 HydrophobicContact CG1-CG1 4.45Å; I358-V368 HydrophobicContact CG1-CG2 4.26Å; I358-V368 HydrophobicContact CG2-CG2 4.37Å; I358-V371 HydrophobicContact CD1-CG2 4.14Å; I358-F399 HydrophobicContact CD1-CE2 3.88Å; I358-F399 HydrophobicContact CD1-CZ 3.83Å; I358-H401 WeakPolarHBondContact CG2-CD2 3.43Å; I358-H401 WeakPolarHBondContact CG2-NE2 3.27Å; I358-P402 HydrophobicContact CB-CG 4.45Å; I358-P402 HydrophobicContact CG2-CG 4.24Å; I358-I409 HydrophobicContact CD1-CD1 3.9Å; I358-I409 HydrophobicContact CG1-CD1 4.35Å; I358-I409 HydrophobicContact CG2-CD1 3.63Å
359G91.6Very high92.3Very high0 Ų017.9 Ų17.90%010%0.103CC..Hα-helixtrans-58.9-41.5174.800000113.1R355 L356 T357 S362 D363R355-G359 PolarHBondContact O-N 3.29Å; R355-G359 VanDerWaalsContact O-N 3.1Å; L356-G359 PolarHBondContact O-N 3.29Å; T357-G359 VanDerWaalsContact C-N 3.31Å; T357-G359 PolarHBondContact O-N 2.58Å; G359-S362 PolarHBondContact O-N 2.87Å; G359-D363 PolarHBondContact O-N 3.19Å
360K91.8Very high92.6Very high28 Ų2817.3 Ų17.312%0.12210%0.1CC..Hα-helixtrans-69.8-35.8-179.9-167.6174.5172.1750112.6S247 F255 F260 L356 T357 I358 I364S247-K360 WeakPolarHBondContact OG-CE 3.29Å; S247-K360 PolarHBondContact OG-NZ 3.16Å; F255-K360 HydrophobicContact CB-CD 4.19Å; F255-K360 HydrophobicContact CD1-CD 4.44Å; F255-K360 HydrophobicContact CD2-CD 4.06Å; F255-K360 HydrophobicContact CG-CD 3.98Å; F260-K360 HydrophobicContact CD1-CD 4.22Å; F260-K360 HydrophobicContact CD1-CG 4.11Å; F260-K360 HydrophobicContact CD2-CD 3.95Å; F260-K360 HydrophobicContact CE1-CB 4.33Å; F260-K360 HydrophobicContact CE1-CD 3.93Å; F260-K360 HydrophobicContact CE1-CG 3.89Å; F260-K360 HydrophobicContact CE2-CD 3.7Å; F260-K360 VanDerWaalsContact CE2-CE 3.43Å; F260-K360 HydrophobicContact CG-CD 4.2Å; F260-K360 VanDerWaalsContact CG-CE 3.42Å; F260-K360 HydrophobicContact CG-CG 4.47Å; F260-K360 HydrophobicContact CZ-CD 3.66Å; F260-K360 HydrophobicContact CZ-CG 4.12Å; L356-K360 WeakPolarHBondContact O-CB 3.5Å; L356-K360 PolarHBondContact O-N 3.42Å; T357-K360 PolarHBondContact O-N 3.23Å; T357-K360 VanDerWaalsContact O-N 3.14Å; I358-K360 VanDerWaalsContact C-N 3.33Å; I358-K360 PolarHBondContact O-N 2.81Å; K360-I364 WeakPolarHBondContact O-CD1 3.44Å; K360-I364 WeakPolarHBondContact O-CG1 3.21Å
361L92.9Very high92.9Very high0 Ų016.7 Ų16.70%010%0.097CC..Hα-helixtrans-67.7-41.1171.8-72.3168000111.5F260 L263 L337 T357 I358 D363 I364 G365 I366 V368F260-L361 HydrophobicContact CD1-CD2 4.44Å; F260-L361 HydrophobicContact CE1-CD2 3.85Å; F260-L361 HydrophobicContact CE1-CG 4.17Å; L263-L361 HydrophobicContact CD1-CD2 4.45Å; L337-L361 HydrophobicContact CD1-CD1 3.97Å; L337-L361 HydrophobicContact CD1-CD2 4.31Å; L337-L361 HydrophobicContact CD1-CG 4.35Å; L337-L361 HydrophobicContact CD2-CD2 4.32Å; T357-L361 HydrophobicContact CG2-CD1 4.41Å; T357-L361 PolarHBondContact O-N 2.86Å; I358-L361 PolarHBondContact O-N 1.95Å; L361-D363 PolarHBondContact O-N 3.03Å; L361-I364 WeakPolarHBondContact O-CB 3.44Å; L361-I364 PolarHBondContact O-N 2.83Å; L361-I364 VanDerWaalsContact O-N 3.12Å; L361-G365 PolarHBondContact O-N 2.67Å; L361-I366 CarbonylContact C-O 3.53Å; L361-I366 HydrophobicContact CB-CB 4.32Å; L361-I366 HydrophobicContact CD2-CB 4.38Å; L361-I366 HydrophobicContact CD2-CD1 4.4Å; L361-I366 HydrophobicContact CD2-CG2 4.42Å; L361-I366 PolarHBondContact O-N 2.79Å; L361-V368 HydrophobicContact CB-CG2 4.18Å; L361-V368 HydrophobicContact CD1-CG2 3.6Å
362S92.1Very high93Very high43 Ų4316.7 Ų16.730%0.30110%0.097SC..Hα-helixtrans-65.3-35175.8174.30000112.9I358 G359 I364 G365 H401I358-S362 WeakPolarHBondContact O-CB 3.42Å; I358-S362 PolarHBondContact O-N 2.86Å; G359-S362 PolarHBondContact O-N 2.87Å; S362-I364 PolarHBondContact O-N 3.34Å; S362-G365 PolarHBondContact O-N 2.87Å; S362-G365 VanDerWaalsContact O-N 3.12Å; S362-H401 WeakPolarHBondContact CB-NE2 3.37Å; S362-H401 PolarHBondContact OG-CE1 3.39Å
363D90.3Very high93.2Very high99 Ų9916 Ų1653%0.5299%0.094SC..Hα-helixtrans-60.6-24.2174-66.9-24.7000112.1R243 G359 L361R243-D363 IonicContact CZ-OD1 3.96Å; R243-D363 IonicContact CZ-OD2 3.77Å; R243-D363 IonicContact NE-OD2 2.75Å; R243-D363 PolarHBondContact NE-OD2 3.4Å; R243-D363 IonicContact NH2-OD1 3.04Å; R243-D363 PolarHBondContact NH2-OD1 2.96Å; R243-D363 IonicContact NH2-OD2 3.18Å; R243-D363 PolarHBondContact NH2-OD2 3.35Å; G359-D363 PolarHBondContact O-N 3.19Å; L361-D363 PolarHBondContact O-N 3.03Å
364I90.7Very high93.1Very high23 Ų2317.4 Ų17.412%0.11810%0.101CC..THydrogen-bonded Turntrans-95.9-7.7-178.7-67163.4000112F260 Q264 V267 K360 L361 S362 I366F260-I364 HydrophobicContact CB-CD1 3.75Å; F260-I364 HydrophobicContact CD1-CD1 3.43Å; F260-I364 VanDerWaalsContact CD1-CD1 3.43Å; F260-I364 HydrophobicContact CE1-CD1 4.4Å; F260-I364 HydrophobicContact CG-CD1 4.02Å; Q264-I364 VanDerWaalsContact CA-CG2 3.42Å; Q264-I364 HydrophobicContact CB-CG1 4.41Å; Q264-I364 HydrophobicContact CB-CG2 3.66Å; Q264-I364 HydrophobicContact CG-CG2 4.2Å; V267-I364 WeakPolarHBondContact CG1-O 3.41Å; K360-I364 WeakPolarHBondContact O-CD1 3.44Å; K360-I364 WeakPolarHBondContact O-CG1 3.21Å; L361-I364 WeakPolarHBondContact O-CB 3.44Å; L361-I364 PolarHBondContact O-N 2.83Å; L361-I364 VanDerWaalsContact O-N 3.12Å; S362-I364 PolarHBondContact O-N 3.34Å; I364-I366 HydrophobicContact CG2-CG1 4.34Å
365G89.8Confident92.9Very high41 Ų4117.6 Ų17.642%0.42310%0.103SC..THydrogen-bonded Turntrans87.59.5-176.300000115.1L361 S362L361-G365 PolarHBondContact O-N 2.67Å; S362-G365 PolarHBondContact O-N 2.87Å; S362-G365 VanDerWaalsContact O-N 3.12Å
366I92.1Very high92.8Very high2 Ų217.3 Ų17.31%0.0111%0.108CC..  trans-87.7126.6173.5-59.6-173000110L263 V267 Y274 C277 W333 L361 I364L263-I366 HydrophobicContact CB-CD1 3.91Å; L263-I366 HydrophobicContact CD1-CD1 4.21Å; L263-I366 HydrophobicContact CD2-CD1 4.22Å; L263-I366 HydrophobicContact CG-CD1 4.34Å; V267-I366 HydrophobicContact CG2-CD1 4.08Å; V267-I366 HydrophobicContact CG2-CG1 3.6Å; Y274-I366 WeakPolarHBondContact O-CG1 3.45Å; C277-I366 HydrophobicContact CB-CG2 4.14Å; C277-I366 VanDerWaalsContact SG-CG2 3.56Å; W333-I366 HydrophobicContact CH2-CD1 4.43Å; L361-I366 CarbonylContact C-O 3.53Å; L361-I366 HydrophobicContact CB-CB 4.32Å; L361-I366 HydrophobicContact CD2-CB 4.38Å; L361-I366 HydrophobicContact CD2-CD1 4.4Å; L361-I366 HydrophobicContact CD2-CG2 4.42Å; L361-I366 PolarHBondContact O-N 2.79Å; I364-I366 HydrophobicContact CG2-CG1 4.34Å
367T92.5Very high92.6Very high34 Ų3421 Ų2121%0.20914%0.139CC..EExtended strand (participates in β ladder)trans-92.9112.6-178.6-56.30000110.5Q275 Y276 C277 L369Q275-T367 WeakPolarHBondContact O-CB 3.42Å; Q275-T367 PolarHBondContact O-N 3.48Å; Y276-T367 WeakPolarHBondContact CA-O 3.16Å; Y276-T367 HydrophobicContact CD1-CG2 3.87Å; Y276-T367 HydrophobicContact CE1-CG2 3.88Å; C277-T367 PolarHBondContact N-O 2.82Å; T367-L369 HydrophobicContact CG2-CD2 4.27Å; T367-L369 PolarHBondContact O-N 2.83Å
368V95.3Very high92.3Very high1 Ų125.5 Ų25.51%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-76.2120.9171.9-1740000109.4C277 L279 I358 L361 A370 Q407 I409C277-V368 WeakPolarHBondContact O-CA 3.14Å; L279-V368 HydrophobicContact CB-CG1 4Å; I358-V368 HydrophobicContact CG1-CG1 4.45Å; I358-V368 HydrophobicContact CG1-CG2 4.26Å; I358-V368 HydrophobicContact CG2-CG2 4.37Å; L361-V368 HydrophobicContact CB-CG2 4.18Å; L361-V368 HydrophobicContact CD1-CG2 3.6Å; V368-A370 WeakPolarHBondContact CG1-O 3.48Å; V368-Q407 PolarHBondContact O-NE2 3.08Å; V368-Q407 VanDerWaalsContact O-NE2 3.17Å; V368-I409 HydrophobicContact CB-CD1 4.45Å; V368-I409 HydrophobicContact CG1-CG2 4.12Å
369L94.3Very high92.2Very high1 Ų125.6 Ų25.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-89-37.8176.8-63.5-171.1000112.8Y276 C277 I329 T367 A410 L587 Y591 F599Y276-L369 HydrophobicContact CD1-CD1 4.27Å; Y276-L369 HydrophobicContact CD1-CD2 3.61Å; Y276-L369 HydrophobicContact CD1-CG 4.02Å; Y276-L369 HydrophobicContact CE1-CD2 4.15Å; Y276-L369 HydrophobicContact CG-CD1 4.46Å; C277-L369 PolarHBondContact O-N 3.29Å; I329-L369 HydrophobicContact CD1-CD1 4.15Å; I329-L369 HydrophobicContact CG1-CD1 3.79Å; I329-L369 HydrophobicContact CG1-CG 4.4Å; I329-L369 HydrophobicContact CG2-CD1 4.39Å; T367-L369 HydrophobicContact CG2-CD2 4.27Å; T367-L369 PolarHBondContact O-N 2.83Å; L369-A410 PolarHBondContact O-N 2.9Å; L369-L587 HydrophobicContact CB-CD2 4.41Å; L369-Y591 HydrophobicContact CD2-CD1 4.19Å; L369-Y591 HydrophobicContact CD2-CE1 3.54Å; L369-Y591 HydrophobicContact CD2-CE2 3.94Å; L369-F599 HydrophobicContact CD1-CE2 3.64Å; L369-F599 HydrophobicContact CD1-CZ 4.1Å
370A95.9Very high92.2Very high0 Ų027.1 Ų27.10%017%0.17CC..EExtended strand (participates in β ladder)trans-147.9153.5-172.500000112L279 V368 A410 F412 F607L279-A370 PolarHBondContact N-O 3.15Å; V368-A370 WeakPolarHBondContact CG1-O 3.48Å; A370-A410 CarbonylContact C-O 3.57Å; A370-A410 VanDerWaalsContact CA-O 3.23Å; A370-A410 WeakPolarHBondContact CA-O 3.24Å; A370-A410 HydrophobicContact CB-CB 4.3Å; A370-F412 HydrophobicContact CB-CD2 3.93Å; A370-F412 HydrophobicContact CB-CE2 3.96Å; A370-F607 HydrophobicContact CB-CD1 3.55Å; A370-F607 HydrophobicContact CB-CE1 3.53Å
371V97.1Very high92.2Very high0 Ų028.9 Ų28.90%018%0.179CC..EExtended strand (participates in β ladder)trans-113.7135.4164.6174.70000109.1L279 I281 L354 I358 F399 I409 A410 Y411 F412L279-V371 HydrophobicContact CB-CG2 4.35Å; L279-V371 HydrophobicContact CD2-CG2 4.44Å; L279-V371 CarbonylContact O-C 3.59Å; L279-V371 VanDerWaalsContact O-CA 3.25Å; L279-V371 WeakPolarHBondContact O-CA 3.3Å; I281-V371 HydrophobicContact CG2-CG1 4.45Å; L354-V371 HydrophobicContact CD1-CG1 3.81Å; L354-V371 HydrophobicContact CD2-CG1 3.87Å; L354-V371 HydrophobicContact CD2-CG2 4.33Å; I358-V371 HydrophobicContact CD1-CG2 4.14Å; V371-F399 HydrophobicContact CB-CE1 4.42Å; V371-F399 HydrophobicContact CG2-CE1 4.13Å; V371-F399 HydrophobicContact CG2-CZ 3.81Å; V371-I409 HydrophobicContact CG2-CG2 4.21Å; V371-A410 PolarHBondContact N-O 2.73Å; V371-Y411 HydrophobicContact CB-CD2 4.41Å; V371-Y411 HydrophobicContact CG1-CD2 4.47Å; V371-Y411 HydrophobicContact CG1-CE2 4.29Å; V371-Y411 WeakPolarHBondContact O-CA 3.35Å; V371-F412 PolarHBondContact O-N 3.2Å
372T96.4Very high92.2Very high0 Ų028.9 Ų28.90%018%0.179CC..EExtended strand (participates in β ladder)trans-114.4141171.1-47.60000110.8L279 I281 F412 F607 H609L279-T372 PolarHBondContact O-N 3.19Å; I281-T372 WeakPolarHBondContact CG2-O 3.39Å; I281-T372 PolarHBondContact N-O 3.28Å; T372-F412 VanDerWaalsContact CA-O 3.32Å; T372-F412 WeakPolarHBondContact CA-O 3.31Å; T372-F412 HydrophobicContact CG2-CB 4.27Å; T372-F607 WeakPolarHBondContact CG2-O 3.2Å; T372-F607 PolarHBondContact OG1-O 3.33Å; T372-F607 VanDerWaalsContact OG1-O 3.09Å; T372-H609 PolarHBondContact O-NE2 2.9Å
373S94.9Very high92.3Very high2 Ų226.9 Ų26.91%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-132.9168.3168.879.90000112.6S379 M382 Y411 F412 F413 D414 H609S373-S379 WeakPolarHBondContact OG-CB 3.41Å; S373-M382 VanDerWaalsContact CB-CE 3.48Å; S373-Y411 VanDerWaalsContact CB-OH 3.29Å; S373-Y411 WeakPolarHBondContact CB-OH 3.43Å; S373-Y411 PolarHBondContact OG-OH 3.18Å; S373-F412 PolarHBondContact N-O 2.84Å; S373-F413 CarbonylContact O-C 3.48Å; S373-F413 VanDerWaalsContact O-CA 3.29Å; S373-F413 WeakPolarHBondContact O-CA 3.34Å; S373-F413 WeakPolarHBondContact OG-CD1 3.32Å; S373-F413 WeakPolarHBondContact OG-CE1 3.25Å; S373-D414 PolarHBondContact O-N 2.8Å; S373-H609 VanDerWaalsContact CA-CE1 3.42Å; S373-H609 WeakPolarHBondContact CA-CE1 3.33Å; S373-H609 WeakPolarHBondContact CA-NE2 3.28Å
374D90.6Very high92.4Very high28 Ų2828 Ų2815%0.1517%0.165CC..  trans-66.8159.8162-73.4-28.4000110.1K282 T376 S379 F413 H609K282-D374 VanDerWaalsContact CE-OD2 3.3Å; K282-D374 WeakPolarHBondContact CE-OD2 3.45Å; D374-T376 HydrophobicContact CB-CG2 4.24Å; D374-T376 PolarHBondContact O-N 3.4Å; D374-S379 WeakPolarHBondContact O-CB 3.49Å; D374-S379 PolarHBondContact O-OG 2.79Å; D374-F413 WeakPolarHBondContact O-CD1 3.35Å; D374-H609 PolarHBondContact N-CE1 3.02Å; D374-H609 IonicContact OD1-CE1 3.64Å; D374-H609 IonicContact OD1-CG 3.82Å; D374-H609 IonicContact OD1-ND1 3.56Å; D374-H609 PolarHBondContact OD1-ND1 3.12Å
375A89.8Confident92.4Very high4 Ų428.1 Ų28.13%0.03317%0.169CC..SBendtrans-92.388.417500000111.3F413 H417 L418 L421 L572A375-F413 HydrophobicContact CB-CB 4.3Å; A375-F413 HydrophobicContact CB-CD1 4.09Å; A375-F413 HydrophobicContact CB-CG 4.21Å; A375-H417 PolarHBondContact N-ND1 3.48Å; A375-H417 VanDerWaalsContact N-ND1 3.18Å; A375-H417 PolarHBondContact O-CE1 3.23Å; A375-L418 HydrophobicContact CB-CD2 3.73Å; A375-L421 HydrophobicContact CB-CD1 3.75Å; A375-L572 HydrophobicContact CB-CD2 4.06Å; A375-L572 HydrophobicContact CB-CG 4.23Å
376T89.3Confident92.5Very high54 Ų5426.6 Ų26.633%0.33115%0.151SC..SBendtrans-132.9168.9-178.967.40000111.1D374 H378 S379 V380D374-T376 HydrophobicContact CB-CG2 4.24Å; D374-T376 PolarHBondContact O-N 3.4Å; T376-H378 VanDerWaalsContact C-N 3.33Å; T376-H378 PolarHBondContact O-N 3.17Å; T376-S379 PolarHBondContact N-OG 2.99Å; T376-S379 PolarHBondContact O-N 3.06Å; T376-S379 PolarHBondContact O-OG 3.02Å; T376-S379 PolarHBondContact OG1-N 2.99Å; T376-V380 WeakPolarHBondContact O-CG2 3.5Å; T376-V380 PolarHBondContact O-N 2.85Å
377A88.8Confident92.5Very high81 Ų8127.4 Ų27.467%0.66916%0.16SC*.Hα-helixtrans-58.6-43176.600000112.5S379 V380 Q381A377-S379 VanDerWaalsContact C-N 3.35Å; A377-S379 PolarHBondContact O-N 3.37Å; A377-V380 PolarHBondContact O-N 3.18Å; A377-Q381 PolarHBondContact O-N 2.69Å
378H88.4Confident92.6Very high94 Ų9425.8 Ų25.844%0.43515%0.15SC..Hα-helixtrans-64-37.9175.9-58.6-66.8000112G347 T376 Q381 M382G347-H378 VanDerWaalsContact CA-O 3.27Å; G347-H378 WeakPolarHBondContact CA-O 3.18Å; T376-H378 VanDerWaalsContact C-N 3.33Å; T376-H378 PolarHBondContact O-N 3.17Å; H378-Q381 WeakPolarHBondContact O-CB 3.44Å; H378-Q381 PolarHBondContact O-N 3.47Å; H378-M382 WeakPolarHBondContact O-CB 3.47Å; H378-M382 PolarHBondContact O-N 3.03Å
379S90.8Very high92.3Very high3 Ų330.1 Ų30.12%0.02117%0.17CC..Hα-helixtrans-71.3-33.3177.378.80000113.3S373 D374 T376 A377 M382 A383 F413S373-S379 WeakPolarHBondContact OG-CB 3.41Å; D374-S379 WeakPolarHBondContact O-CB 3.49Å; D374-S379 PolarHBondContact O-OG 2.79Å; T376-S379 PolarHBondContact N-OG 2.99Å; T376-S379 PolarHBondContact O-N 3.06Å; T376-S379 PolarHBondContact O-OG 3.02Å; T376-S379 PolarHBondContact OG1-N 2.99Å; A377-S379 VanDerWaalsContact C-N 3.35Å; A377-S379 PolarHBondContact O-N 3.37Å; S379-M382 WeakPolarHBondContact O-CB 3.41Å; S379-M382 PolarHBondContact O-N 3.27Å; S379-A383 WeakPolarHBondContact O-CB 3.09Å; S379-A383 PolarHBondContact O-N 3.23Å; S379-F413 WeakPolarHBondContact OG-CE1 3.16Å
380V91.9Very high91.9Very high31 Ų3130.7 Ų30.719%0.18817%0.173CC..Hα-helixtrans-66.8-39.1171.8172.20000110.9T376 A377 A383 K384 I390 F413 L572T376-V380 WeakPolarHBondContact O-CG2 3.5Å; T376-V380 PolarHBondContact O-N 2.85Å; A377-V380 PolarHBondContact O-N 3.18Å; V380-A383 PolarHBondContact O-N 3.11Å; V380-K384 HydrophobicContact CG1-CD 4.47Å; V380-K384 WeakPolarHBondContact O-CB 3.47Å; V380-K384 WeakPolarHBondContact O-CG 3.41Å; V380-K384 PolarHBondContact O-N 3.09Å; V380-I390 HydrophobicContact CG1-CD1 4.47Å; V380-F413 HydrophobicContact CG2-CZ 4.17Å; V380-L572 HydrophobicContact CG2-CD1 3.65Å; V380-L572 HydrophobicContact CG2-CD2 4.24Å
381Q92.2Very high91Very high66 Ų6634.5 Ų34.531%0.30819%0.193SC..Hα-helixtrans-63.1-41.4171.5-174.6-174.953.100111.5Y348 A377 H378 K384 A385Y348-Q381 HydrophobicContact CD2-CG 4.22Å; Y348-Q381 HydrophobicContact CE2-CG 3.98Å; A377-Q381 PolarHBondContact O-N 2.69Å; H378-Q381 WeakPolarHBondContact O-CB 3.44Å; H378-Q381 PolarHBondContact O-N 3.47Å; Q381-K384 PolarHBondContact O-N 2.95Å; Q381-A385 WeakPolarHBondContact O-CB 3.35Å; Q381-A385 PolarHBondContact O-N 3.12Å
382M93.8Very high89.6Confident0 Ų035.3 Ų35.30%020%0.202CC..Hα-helixtrans-61.7-48.5174.6177.4175.770.900112.2I281 G347 Q350 A351 L354 S373 H378 S379 K384 A385 L386 Y411I281-M382 HydrophobicContact CD1-SD 4.14Å; I281-M382 HydrophobicContact CG2-CE 3.74Å; I281-M382 HydrophobicContact CG2-SD 4.21Å; G347-M382 VanDerWaalsContact O-CA 3.29Å; G347-M382 WeakPolarHBondContact O-CA 3.32Å; G347-M382 WeakPolarHBondContact O-CB 3.4Å; Q350-M382 HydrophobicContact CB-CG 4.2Å; Q350-M382 HydrophobicContact CB-SD 3.41Å; Q350-M382 WeakPolarHBondContact CB-SD 3.44Å; A351-M382 HydrophobicContact CB-CG 4Å; L354-M382 HydrophobicContact CD1-CE 4.18Å; L354-M382 HydrophobicContact CD1-CG 4.14Å; L354-M382 HydrophobicContact CD1-SD 3.47Å; L354-M382 WeakPolarHBondContact CD1-SD 3.38Å; L354-M382 HydrophobicContact CG-SD 4.46Å; S373-M382 VanDerWaalsContact CB-CE 3.48Å; H378-M382 WeakPolarHBondContact O-CB 3.47Å; H378-M382 PolarHBondContact O-N 3.03Å; S379-M382 WeakPolarHBondContact O-CB 3.41Å; S379-M382 PolarHBondContact O-N 3.27Å; M382-K384 VanDerWaalsContact C-N 3.34Å; M382-K384 PolarHBondContact O-N 2.92Å; M382-A385 CarbonylContact O-C 3.49Å; M382-A385 WeakPolarHBondContact O-CB 3.48Å; M382-A385 PolarHBondContact O-N 3.11Å; M382-A385 VanDerWaalsContact O-N 3.1Å; M382-L386 HydrophobicContact CG-CD1 4.32Å; M382-L386 WeakPolarHBondContact O-CG 3.49Å; M382-L386 PolarHBondContact O-N 2.77Å; M382-Y411 HydrophobicContact CE-CE2 4.3Å; M382-Y411 WeakPolarHBondContact CE-OH 3.23Å
383A93.7Very high88.2Confident0 Ų042.8 Ų42.80%024%0.241CC..Hα-helixtrans-56.7-48.4176.400000110.8S379 V380 A385 L386 G387 I388 I390 Y411S379-A383 WeakPolarHBondContact O-CB 3.09Å; S379-A383 PolarHBondContact O-N 3.23Å; V380-A383 PolarHBondContact O-N 3.11Å; A383-A385 VanDerWaalsContact C-N 3.33Å; A383-A385 PolarHBondContact O-N 3.18Å; A383-L386 WeakPolarHBondContact O-CB 3.36Å; A383-L386 PolarHBondContact O-N 2.76Å; A383-L386 VanDerWaalsContact O-N 3.09Å; A383-G387 PolarHBondContact O-N 3.35Å; A383-I388 HydrophobicContact CB-CB 3.96Å; A383-I388 HydrophobicContact CB-CG1 4.4Å; A383-I388 HydrophobicContact CB-CG2 4.12Å; A383-I388 VanDerWaalsContact O-CB 3.32Å; A383-I388 WeakPolarHBondContact O-CB 3.29Å; A383-I388 PolarHBondContact O-N 2.92Å; A383-I390 HydrophobicContact CB-CD1 4.02Å; A383-Y411 HydrophobicContact CB-CD1 4.48Å; A383-Y411 HydrophobicContact CB-CE1 4.02Å; A383-Y411 HydrophobicContact CB-CE2 4.12Å
384K92.5Very high87.2Confident124 Ų12448.7 Ų48.754%0.53927%0.273SS..Hα-helixtrans-59.8-39.6174.3-71.5-179.2178.3-165.70112.6V380 Q381 M382 L386 G387V380-K384 HydrophobicContact CG1-CD 4.47Å; V380-K384 WeakPolarHBondContact O-CB 3.47Å; V380-K384 WeakPolarHBondContact O-CG 3.41Å; V380-K384 PolarHBondContact O-N 3.09Å; Q381-K384 PolarHBondContact O-N 2.95Å; M382-K384 VanDerWaalsContact C-N 3.34Å; M382-K384 PolarHBondContact O-N 2.92Å; K384-L386 VanDerWaalsContact C-N 3.3Å; K384-L386 PolarHBondContact O-N 3.03Å; K384-G387 PolarHBondContact O-N 2.24Å
385A90.8Very high87Confident25 Ų2548.7 Ų48.721%0.20727%0.272CS..Hα-helixtrans-69.9-21.6175.800000114.3Y348 A351 R355 Q381 M382 A383Y348-A385 HydrophobicContact CD1-CB 3.51Å; Y348-A385 HydrophobicContact CE1-CB 3.78Å; A351-A385 HydrophobicContact CB-CB 3.81Å; R355-A385 PolarHBondContact NH2-O 2.96Å; Q381-A385 WeakPolarHBondContact O-CB 3.35Å; Q381-A385 PolarHBondContact O-N 3.12Å; M382-A385 CarbonylContact O-C 3.49Å; M382-A385 WeakPolarHBondContact O-CB 3.48Å; M382-A385 PolarHBondContact O-N 3.11Å; M382-A385 VanDerWaalsContact O-N 3.1Å; A383-A385 VanDerWaalsContact C-N 3.33Å; A383-A385 PolarHBondContact O-N 3.18Å
386L92.2Very high87.1Confident9 Ų953 Ų535%0.04729%0.29CS..Hα-helixtrans-80.7-23.3168.5-66.5171.1000112.1A351 L354 R355 M382 A383 K384 F399 Y411A351-L386 HydrophobicContact CB-CD2 4.03Å; A351-L386 HydrophobicContact CB-CG 4.09Å; L354-L386 HydrophobicContact CD1-CD1 3.91Å; R355-L386 HydrophobicContact CG-CD2 4.21Å; M382-L386 HydrophobicContact CG-CD1 4.32Å; M382-L386 WeakPolarHBondContact O-CG 3.49Å; M382-L386 PolarHBondContact O-N 2.77Å; A383-L386 WeakPolarHBondContact O-CB 3.36Å; A383-L386 PolarHBondContact O-N 2.76Å; A383-L386 VanDerWaalsContact O-N 3.09Å; K384-L386 VanDerWaalsContact C-N 3.3Å; K384-L386 PolarHBondContact O-N 3.03Å; L386-F399 HydrophobicContact CB-CB 4.28Å; L386-F399 HydrophobicContact CB-CD1 4.27Å; L386-F399 HydrophobicContact CB-CD2 4.27Å; L386-F399 HydrophobicContact CB-CG 4.03Å; L386-F399 HydrophobicContact CD1-CD1 4.44Å; L386-F399 HydrophobicContact CD1-CE1 4.14Å; L386-F399 HydrophobicContact CD1-CZ 4.2Å; L386-F399 HydrophobicContact CD2-CD2 4.24Å; L386-F399 HydrophobicContact CD2-CE2 4.06Å; L386-F399 HydrophobicContact CD2-CZ 4.45Å; L386-F399 WeakPolarHBondContact O-CB 3.29Å; L386-Y411 HydrophobicContact CD1-CD2 4.01Å; L386-Y411 HydrophobicContact CD1-CE2 3.83Å
387G91.4Very high87.3Confident19 Ų1951.1 Ų51.120%0.19628%0.28CS..THydrogen-bonded Turntrans102.124.1-178.600000114A383 K384 K396A383-G387 PolarHBondContact O-N 3.35Å; K384-G387 PolarHBondContact O-N 2.24Å; G387-K396 WeakPolarHBondContact O-CE 3.46Å; G387-K396 PolarHBondContact O-NZ 3.45Å
388I94Very high87.6Confident0 Ų047.8 Ų47.80%025%0.251CS..  trans-84136.1170-58.3-57.9000109A383 I390 K396 T398 F399 Y411 L579A383-I388 HydrophobicContact CB-CB 3.96Å; A383-I388 HydrophobicContact CB-CG1 4.4Å; A383-I388 HydrophobicContact CB-CG2 4.12Å; A383-I388 VanDerWaalsContact O-CB 3.32Å; A383-I388 WeakPolarHBondContact O-CB 3.29Å; A383-I388 PolarHBondContact O-N 2.92Å; I388-I390 HydrophobicContact CG2-CD1 4.3Å; I388-I390 HydrophobicContact CG2-CG1 3.83Å; I388-K396 WeakPolarHBondContact CA-O 3.42Å; I388-K396 WeakPolarHBondContact CG2-O 3.34Å; I388-T398 VanDerWaalsContact CD1-C 3.43Å; I388-F399 HydrophobicContact CD1-CB 4.22Å; I388-F399 HydrophobicContact CD1-CD1 4.12Å; I388-F399 HydrophobicContact CG1-CD1 4.49Å; I388-Y411 HydrophobicContact CD1-CG 4.49Å; I388-Y411 HydrophobicContact CG1-CD2 4.13Å; I388-Y411 HydrophobicContact CG1-CG 4.01Å; I388-L579 HydrophobicContact CG2-CD1 4.02Å; I388-L579 HydrophobicContact CG2-CD2 4.19Å
389H89.8Confident87.9Confident91 Ų9143.4 Ų43.442%0.42123%0.231SC..EExtended strand (participates in β ladder)trans-113.3132.8174.7-65.7-103.6000108.5M395 K396H389-M395 WeakPolarHBondContact O-CG 3.17Å; H389-K396 HydrophobicContact CB-CB 4.05Å; H389-K396 PolarHBondContact N-O 3.21Å; H389-K396 PolarHBondContact O-N 3.16Å
390I85.1Confident88Confident13 Ų1349.1 Ų49.17%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-128.961.7-171.6-45.7167.2000107.6V380 A383 I388 F413 L575 L579V380-I390 HydrophobicContact CG1-CD1 4.47Å; A383-I390 HydrophobicContact CB-CD1 4.02Å; I388-I390 HydrophobicContact CG2-CD1 4.3Å; I388-I390 HydrophobicContact CG2-CG1 3.83Å; I390-F413 HydrophobicContact CD1-CE2 3.79Å; I390-F413 HydrophobicContact CD1-CZ 3.73Å; I390-L575 HydrophobicContact CG2-CB 4.09Å; I390-L579 HydrophobicContact CD1-CD2 4.25Å; I390-L579 HydrophobicContact CG1-CD2 4.16Å
391D77.6Confident87.8Confident81 Ų8148 Ų4843%0.43325%0.25SC..  trans-118.9149.1174.9-64.1-61.2000107.6D393 M395D391-D393 VanDerWaalsContact C-N 3.29Å; D391-D393 PolarHBondContact O-N 3.33Å; D391-M395 WeakPolarHBondContact O-CB 3.48Å
392G66.9Low87.4Confident17 Ų1747.4 Ų47.418%0.17525%0.251CS..SBendtrans-63.9-31.3-165.500000114.8
393D68.1Low86.7Confident156 Ų15650.7 Ų50.783%0.83427%0.274SS*.SBendtrans-99.8-38.1-172.1-53.5-50.4000113D391D391-D393 VanDerWaalsContact C-N 3.29Å; D391-D393 PolarHBondContact O-N 3.33Å
394D74.6Confident86Confident126 Ų12652.4 Ų52.467%0.67429%0.287SS*.SBendtrans-121.388.4176.9-176.721.4000110.6
395M86.2Confident85.3Confident28 Ų2851.7 Ų51.714%0.13830%0.297CS..EExtended strand (participates in β ladder)trans-109.7114.1-174.3-162.3164.451.200111.3H389 D391 L578 L579 E582H389-M395 WeakPolarHBondContact O-CG 3.17Å; D391-M395 WeakPolarHBondContact O-CB 3.48Å; M395-L578 HydrophobicContact CE-CB 3.68Å; M395-L578 VanDerWaalsContact CE-O 3.26Å; M395-L578 WeakPolarHBondContact CE-O 3.33Å; M395-L578 HydrophobicContact SD-CB 4.27Å; M395-L579 HydrophobicContact CG-CD1 3.78Å; M395-L579 HydrophobicContact SD-CB 3.89Å; M395-L579 HydrophobicContact SD-CD1 4.05Å; M395-E582 HydrophobicContact CE-CB 4.32Å; M395-E582 HydrophobicContact CE-CG 3.52Å
396K91.7Very high84.7Confident94 Ų9455.8 Ų55.841%0.40932%0.324SS..EExtended strand (participates in β ladder)trans-103.2103.5-178.2-176.8-180165.5-145.50110.3G387 I388 H389 T398G387-K396 WeakPolarHBondContact O-CE 3.46Å; G387-K396 PolarHBondContact O-NZ 3.45Å; I388-K396 WeakPolarHBondContact CA-O 3.42Å; I388-K396 WeakPolarHBondContact CG2-O 3.34Å; H389-K396 HydrophobicContact CB-CB 4.05Å; H389-K396 PolarHBondContact N-O 3.21Å; H389-K396 PolarHBondContact O-N 3.16Å; K396-T398 WeakPolarHBondContact CE-O 3.32Å
397C92.6Very high84.4Confident16 Ų1657 Ų5711%0.10833%0.33CS..  trans-84.2-9.2-171.960.10000115.8Y411 L579 E582 S583C397-Y411 PolarHBondContact O-N 3.06Å; C397-L579 HydrophobicContact CB-CD1 4.11Å; C397-E582 HydrophobicContact CB-CB 4.13Å; C397-S583 WeakPolarHBondContact CB-OG 3.47Å; C397-S583 PolarHBondContact O-OG 3.2Å
398T95.2Very high84.5Confident11 Ų1159.6 Ų59.67%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-125.7152.1-177.363.40000114.1I388 K396 Q408 I409 W586I388-T398 VanDerWaalsContact CD1-C 3.43Å; K396-T398 WeakPolarHBondContact CE-O 3.32Å; T398-Q408 PolarHBondContact OG1-OE1 3.37Å; T398-I409 VanDerWaalsContact CA-O 3.26Å; T398-I409 WeakPolarHBondContact CA-O 3.34Å; T398-W586 HydrophobicContact CG2-CD2 3.46Å; T398-W586 VanDerWaalsContact CG2-CD2 3.46Å; T398-W586 HydrophobicContact CG2-CE3 3.79Å; T398-W586 HydrophobicContact CG2-CG 3.75Å; T398-W586 HydrophobicContact CG2-CH2 4.48Å; T398-W586 HydrophobicContact CG2-CZ2 4.21Å; T398-W586 HydrophobicContact CG2-CZ3 4.27Å
399F94.3Very high84.6Confident2 Ų259.6 Ų59.61%0.00934%0.337CS..EExtended strand (participates in β ladder)trans-124.6158.3170.467.5-81.3000111.7I358 V371 L386 I388 Q408 I409 Y411I358-F399 HydrophobicContact CD1-CE2 3.88Å; I358-F399 HydrophobicContact CD1-CZ 3.83Å; V371-F399 HydrophobicContact CB-CE1 4.42Å; V371-F399 HydrophobicContact CG2-CE1 4.13Å; V371-F399 HydrophobicContact CG2-CZ 3.81Å; L386-F399 HydrophobicContact CB-CB 4.28Å; L386-F399 HydrophobicContact CB-CD1 4.27Å; L386-F399 HydrophobicContact CB-CD2 4.27Å; L386-F399 HydrophobicContact CB-CG 4.03Å; L386-F399 HydrophobicContact CD1-CD1 4.44Å; L386-F399 HydrophobicContact CD1-CE1 4.14Å; L386-F399 HydrophobicContact CD1-CZ 4.2Å; L386-F399 HydrophobicContact CD2-CD2 4.24Å; L386-F399 HydrophobicContact CD2-CE2 4.06Å; L386-F399 HydrophobicContact CD2-CZ 4.45Å; L386-F399 WeakPolarHBondContact O-CB 3.29Å; I388-F399 HydrophobicContact CD1-CB 4.22Å; I388-F399 HydrophobicContact CD1-CD1 4.12Å; I388-F399 HydrophobicContact CG1-CD1 4.49Å; F399-Q408 CarbonylContact O-C 3.51Å; F399-Q408 WeakPolarHBondContact O-CA 3.03Å; F399-I409 HydrophobicContact CD1-CB 4.28Å; F399-I409 WeakPolarHBondContact CD1-O 3.42Å; F399-I409 HydrophobicContact CE1-CB 3.82Å; F399-I409 HydrophobicContact CE1-CG2 3.77Å; F399-I409 HydrophobicContact CE2-CB 4.17Å; F399-I409 HydrophobicContact CE2-CD1 3.93Å; F399-I409 HydrophobicContact CZ-CB 3.76Å; F399-I409 HydrophobicContact CZ-CD1 4.03Å; F399-I409 HydrophobicContact CZ-CG1 4.47Å; F399-I409 HydrophobicContact CZ-CG2 3.71Å; F399-I409 PolarHBondContact N-O 2.8Å; F399-I409 PolarHBondContact O-N 3.48Å; F399-Y411 HydrophobicContact CE1-CD2 4.45Å
400Q92.6Very high84.9Confident122 Ų12255.3 Ų55.357%0.5732%0.317SS*.EExtended strand (participates in β ladder)trans-78.1143.1-179.4-72178.7-15.500111.9
401H89.3Confident85.5Confident8 Ų854.7 Ų54.74%0.03731%0.313CS..EExtended strand (participates in β ladder)trans-63.1133.3176.1180-87.3000111.2I358 S362 S403 S404 Q407 I409I358-H401 WeakPolarHBondContact CG2-CD2 3.43Å; I358-H401 WeakPolarHBondContact CG2-NE2 3.27Å; S362-H401 WeakPolarHBondContact CB-NE2 3.37Å; S362-H401 PolarHBondContact OG-CE1 3.39Å; H401-S403 PolarHBondContact ND1-N 2.9Å; H401-S403 VanDerWaalsContact ND1-N 3.18Å; H401-S403 PolarHBondContact O-N 3.1Å; H401-S403 VanDerWaalsContact O-N 3.09Å; H401-S404 PolarHBondContact ND1-N 2.91Å; H401-S404 PolarHBondContact O-N 3.09Å; H401-S404 VanDerWaalsContact O-N 3.11Å; H401-S404 VanDerWaalsContact O-O 3.04Å; H401-Q407 HydrophobicContact CB-CB 3.86Å; H401-Q407 HydrophobicContact CB-CG 4.13Å; H401-Q407 WeakPolarHBondContact CB-O 3.48Å; H401-Q407 PolarHBondContact N-O 2.93Å; H401-I409 HydrophobicContact CB-CD1 4.35Å
402P83.3Confident86.4Confident53 Ų5350.9 Ų50.934%0.34429%0.293SS..THydrogen-bonded Turntrans-57.9-31.9-171.6-25.734.1000115.1R355 I358R355-P402 HydrophobicContact CB-CB 4.39Å; R355-P402 HydrophobicContact CB-CG 3.92Å; R355-P402 HydrophobicContact CG-CG 3.98Å; I358-P402 HydrophobicContact CB-CG 4.45Å; I358-P402 HydrophobicContact CG2-CG 4.24Å
403S78.5Confident87.7Confident69 Ų6950.1 Ų50.148%0.48329%0.285SS..THydrogen-bonded Turntrans-105.3-1-178.9-40.80000113.9H401H401-S403 PolarHBondContact ND1-N 2.9Å; H401-S403 VanDerWaalsContact ND1-N 3.18Å; H401-S403 PolarHBondContact O-N 3.1Å; H401-S403 VanDerWaalsContact O-N 3.09Å
404S79.8Confident88.9Confident37 Ų3742.7 Ų42.726%0.25925%0.245SC..EExtended strand (participates in β ladder)trans-146.7120.9-171.1-178.50000111.9H401 S406H401-S404 PolarHBondContact ND1-N 2.91Å; H401-S404 PolarHBondContact O-N 3.09Å; H401-S404 VanDerWaalsContact O-N 3.11Å; H401-S404 VanDerWaalsContact O-O 3.04Å; S404-S406 VanDerWaalsContact C-N 3.31Å; S404-S406 PolarHBondContact O-N 3.38Å; S404-S406 PolarHBondContact OG-OG 3.36Å
405S77.3Confident89.6Confident109 Ų10937.2 Ų37.276%0.76222%0.217SC*.EExtended strand (participates in β ladder)trans-76.1-16.2179.6540000114.1
406S78.9Confident89.6Confident110 Ų11037.3 Ų37.377%0.76922%0.22SC*.EExtended strand (participates in β ladder)trans-92.4-12.9-177.863.80000114.1S404S404-S406 VanDerWaalsContact C-N 3.31Å; S404-S406 PolarHBondContact O-N 3.38Å; S404-S406 PolarHBondContact OG-OG 3.36Å
407Q86Confident89.3Confident36 Ų3633.7 Ų33.717%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-105.2132.7-179.9-177.6-177.5-14.100110.5V368 H401V368-Q407 PolarHBondContact O-NE2 3.08Å; V368-Q407 VanDerWaalsContact O-NE2 3.17Å; H401-Q407 HydrophobicContact CB-CB 3.86Å; H401-Q407 HydrophobicContact CB-CG 4.13Å; H401-Q407 WeakPolarHBondContact CB-O 3.48Å; H401-Q407 PolarHBondContact N-O 2.93Å
408Q92.8Very high89.2Confident73 Ų7332.9 Ų32.934%0.34120%0.199SC..EExtended strand (participates in β ladder)trans-111.3155.4169.9-68.1-175.3-0.600110.2T398 F399 W586T398-Q408 PolarHBondContact OG1-OE1 3.37Å; F399-Q408 CarbonylContact O-C 3.51Å; F399-Q408 WeakPolarHBondContact O-CA 3.03Å; Q408-W586 HydrophobicContact CB-CH2 3.85Å; Q408-W586 HydrophobicContact CB-CZ2 3.62Å
409I95.5Very high88.9Confident0 Ų032.5 Ų32.50%020%0.197CC..EExtended strand (participates in β ladder)trans-128.3128.8-178.3-53.7176.1000107.1I358 V368 V371 T398 F399 H401I358-I409 HydrophobicContact CD1-CD1 3.9Å; I358-I409 HydrophobicContact CG1-CD1 4.35Å; I358-I409 HydrophobicContact CG2-CD1 3.63Å; V368-I409 HydrophobicContact CB-CD1 4.45Å; V368-I409 HydrophobicContact CG1-CG2 4.12Å; V371-I409 HydrophobicContact CG2-CG2 4.21Å; T398-I409 VanDerWaalsContact CA-O 3.26Å; T398-I409 WeakPolarHBondContact CA-O 3.34Å; F399-I409 HydrophobicContact CD1-CB 4.28Å; F399-I409 WeakPolarHBondContact CD1-O 3.42Å; F399-I409 HydrophobicContact CE1-CB 3.82Å; F399-I409 HydrophobicContact CE1-CG2 3.77Å; F399-I409 HydrophobicContact CE2-CB 4.17Å; F399-I409 HydrophobicContact CE2-CD1 3.93Å; F399-I409 HydrophobicContact CZ-CB 3.76Å; F399-I409 HydrophobicContact CZ-CD1 4.03Å; F399-I409 HydrophobicContact CZ-CG1 4.47Å; F399-I409 HydrophobicContact CZ-CG2 3.71Å; F399-I409 PolarHBondContact N-O 2.8Å; F399-I409 PolarHBondContact O-N 3.48Å; H401-I409 HydrophobicContact CB-CD1 4.35Å
410A96.8Very high88.4Confident0 Ų037.3 Ų37.30%022%0.215CC..EExtended strand (participates in β ladder)trans-75.4154.2177.200000111.7L369 A370 V371 F412 W586 L587L369-A410 PolarHBondContact O-N 2.9Å; A370-A410 CarbonylContact C-O 3.57Å; A370-A410 VanDerWaalsContact CA-O 3.23Å; A370-A410 WeakPolarHBondContact CA-O 3.24Å; A370-A410 HydrophobicContact CB-CB 4.3Å; V371-A410 PolarHBondContact N-O 2.73Å; A410-F412 HydrophobicContact CB-CD2 4.45Å; A410-F412 HydrophobicContact CB-CE2 3.84Å; A410-W586 HydrophobicContact CB-CE3 4.14Å; A410-W586 HydrophobicContact CB-CZ3 4.38Å; A410-L587 HydrophobicContact CB-CD1 4.41Å; A410-L587 HydrophobicContact CB-CD2 4.27Å; A410-L587 HydrophobicContact CB-CG 4.16Å
411Y96.9Very high88.1Confident0 Ų033.5 Ų33.50%020%0.198CC..EExtended strand (participates in β ladder)trans-119.1132.9176.5-166.5-78.4000111V371 S373 M382 A383 L386 I388 C397 F399 F413 L579 S583V371-Y411 HydrophobicContact CB-CD2 4.41Å; V371-Y411 HydrophobicContact CG1-CD2 4.47Å; V371-Y411 HydrophobicContact CG1-CE2 4.29Å; V371-Y411 WeakPolarHBondContact O-CA 3.35Å; S373-Y411 VanDerWaalsContact CB-OH 3.29Å; S373-Y411 WeakPolarHBondContact CB-OH 3.43Å; S373-Y411 PolarHBondContact OG-OH 3.18Å; M382-Y411 HydrophobicContact CE-CE2 4.3Å; M382-Y411 WeakPolarHBondContact CE-OH 3.23Å; A383-Y411 HydrophobicContact CB-CD1 4.48Å; A383-Y411 HydrophobicContact CB-CE1 4.02Å; A383-Y411 HydrophobicContact CB-CE2 4.12Å; L386-Y411 HydrophobicContact CD1-CD2 4.01Å; L386-Y411 HydrophobicContact CD1-CE2 3.83Å; I388-Y411 HydrophobicContact CD1-CG 4.49Å; I388-Y411 HydrophobicContact CG1-CD2 4.13Å; I388-Y411 HydrophobicContact CG1-CG 4.01Å; C397-Y411 PolarHBondContact O-N 3.06Å; F399-Y411 HydrophobicContact CE1-CD2 4.45Å; Y411-F413 HydrophobicContact CE1-CD1 4.01Å; Y411-F413 AromaticContact CE1-CE1 3.67Å; Y411-F413 HydrophobicContact CE1-CE1 3.67Å; Y411-F413 HydrophobicContact CE1-CE2 4.4Å; Y411-F413 AromaticContact CE1-CZ 3.89Å; Y411-F413 HydrophobicContact CE1-CZ 3.89Å; Y411-L579 HydrophobicContact CD1-CD2 3.98Å; Y411-S583 PolarHBondContact O-OG 2.7Å
412F96.5Very high88.2Confident2 Ų233.1 Ų33.11%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-126.5149.1177.8-70.8-94.2000111.5A370 V371 T372 S373 A410 F521 N580 L587 F607A370-F412 HydrophobicContact CB-CD2 3.93Å; A370-F412 HydrophobicContact CB-CE2 3.96Å; V371-F412 PolarHBondContact O-N 3.2Å; T372-F412 VanDerWaalsContact CA-O 3.32Å; T372-F412 WeakPolarHBondContact CA-O 3.31Å; T372-F412 HydrophobicContact CG2-CB 4.27Å; S373-F412 PolarHBondContact N-O 2.84Å; A410-F412 HydrophobicContact CB-CD2 4.45Å; A410-F412 HydrophobicContact CB-CE2 3.84Å; F412-F521 HydrophobicContact CE1-CE1 4.1Å; F412-N580 WeakPolarHBondContact CA-OD1 3.24Å; F412-N580 HydrophobicContact CD1-CB 3.92Å; F412-N580 HydrophobicContact CE1-CB 4.3Å; F412-N580 WeakPolarHBondContact CE1-O 3.06Å; F412-L587 HydrophobicContact CE2-CD1 3.75Å; F412-L587 HydrophobicContact CZ-CD1 3.79Å; F412-F607 HydrophobicContact CD2-CB 4.37Å; F412-F607 HydrophobicContact CD2-CG 4.38Å; F412-F607 HydrophobicContact CE2-CD1 4.43Å; F412-F607 HydrophobicContact CE2-CG 4.31Å; F412-F607 HydrophobicContact CG-CB 4.3Å; F412-F607 HydrophobicContact CZ-CD2 4.44Å
413F95.4Very high88.4Confident0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-99.4147.8159.9-68.1-62.4000110.4S373 D374 A375 S379 V380 I390 Y411 S415 L418 L579 N580S373-F413 CarbonylContact O-C 3.48Å; S373-F413 VanDerWaalsContact O-CA 3.29Å; S373-F413 WeakPolarHBondContact O-CA 3.34Å; S373-F413 WeakPolarHBondContact OG-CD1 3.32Å; S373-F413 WeakPolarHBondContact OG-CE1 3.25Å; D374-F413 WeakPolarHBondContact O-CD1 3.35Å; A375-F413 HydrophobicContact CB-CB 4.3Å; A375-F413 HydrophobicContact CB-CD1 4.09Å; A375-F413 HydrophobicContact CB-CG 4.21Å; S379-F413 WeakPolarHBondContact OG-CE1 3.16Å; V380-F413 HydrophobicContact CG2-CZ 4.17Å; I390-F413 HydrophobicContact CD1-CE2 3.79Å; I390-F413 HydrophobicContact CD1-CZ 3.73Å; Y411-F413 HydrophobicContact CE1-CD1 4.01Å; Y411-F413 AromaticContact CE1-CE1 3.67Å; Y411-F413 HydrophobicContact CE1-CE1 3.67Å; Y411-F413 HydrophobicContact CE1-CE2 4.4Å; Y411-F413 AromaticContact CE1-CZ 3.89Å; Y411-F413 HydrophobicContact CE1-CZ 3.89Å; F413-S415 PolarHBondContact O-N 2.99Å; F413-L418 HydrophobicContact CB-CD1 3.97Å; F413-L418 HydrophobicContact CB-CD2 3.85Å; F413-L418 HydrophobicContact CB-CG 3.97Å; F413-L418 HydrophobicContact CG-CD2 4.43Å; F413-L579 HydrophobicContact CD2-CD2 3.79Å; F413-L579 HydrophobicContact CE2-CD2 3.49Å; F413-L579 VanDerWaalsContact CE2-CD2 3.49Å; F413-L579 HydrophobicContact CZ-CD2 4.38Å; F413-N580 PolarHBondContact N-OD1 2.73Å; F413-N580 PolarHBondContact O-ND2 2.99Å
414D92.4Very high88.6Confident0 Ų030.8 Ų30.80%017%0.174CC..  trans-58.1111.6175.9179.236.9000111.5S373 C416 H417 L418 H609 R665S373-D414 PolarHBondContact O-N 2.8Å; D414-C416 PolarHBondContact O-N 3.4Å; D414-H417 HydrophobicContact CB-CB 4.1Å; D414-H417 WeakPolarHBondContact O-CA 3.04Å; D414-H417 WeakPolarHBondContact O-CB 3.41Å; D414-H417 PolarHBondContact O-N 2.78Å; D414-H417 PolarHBondContact OD2-N 3.34Å; D414-L418 PolarHBondContact O-N 2.9Å; D414-H609 HydrophobicContact CB-CB 3.95Å; D414-H609 PolarHBondContact OD1-N 3.5Å; D414-R665 IonicContact OD1-NH1 3.35Å; D414-R665 IonicContact OD2-CZ 2.82Å; D414-R665 IonicContact OD2-NH1 2.76Å; D414-R665 PolarHBondContact OD2-NH1 3.32Å; D414-R665 IonicContact OD2-NH2 3.19Å; D414-R665 PolarHBondContact OD2-NH2 3.38Å
415S90.3Very high89Confident12 Ų1229 Ų298%0.08416%0.162CC..Hα-helixtrans-58-32.3-177.7-590000112.9F413 H417 L418 L419 F521 N580F413-S415 PolarHBondContact O-N 2.99Å; S415-H417 VanDerWaalsContact C-N 3.35Å; S415-L418 PolarHBondContact O-N 3.28Å; S415-L419 VanDerWaalsContact O-CB 3.28Å; S415-L419 WeakPolarHBondContact O-CB 3.31Å; S415-L419 PolarHBondContact O-N 2.85Å; S415-F521 WeakPolarHBondContact OG-CB 3.45Å; S415-N580 PolarHBondContact OG-ND2 3.24Å
416C84.9Confident89.5Confident30 Ų3023.9 Ų23.920%0.20313%0.125CC..Hα-helixtrans-64.4-38.6173.8-67.50000112.1D414 R420D414-C416 PolarHBondContact O-N 3.4Å; C416-R420 PolarHBondContact O-N 3.18Å
417H86.2Confident89.7Confident17 Ų1720.7 Ų20.78%0.07910%0.098CC..Hα-helixtrans-73-42.6174.9-168.9177.9000111.4A375 D414 S415 L419 R420 L421A375-H417 PolarHBondContact N-ND1 3.48Å; A375-H417 VanDerWaalsContact N-ND1 3.18Å; A375-H417 PolarHBondContact O-CE1 3.23Å; D414-H417 HydrophobicContact CB-CB 4.1Å; D414-H417 WeakPolarHBondContact O-CA 3.04Å; D414-H417 WeakPolarHBondContact O-CB 3.41Å; D414-H417 PolarHBondContact O-N 2.78Å; D414-H417 PolarHBondContact OD2-N 3.34Å; S415-H417 VanDerWaalsContact C-N 3.35Å; H417-L419 VanDerWaalsContact C-N 3.27Å; H417-L419 PolarHBondContact O-N 2.98Å; H417-R420 PolarHBondContact CD2-NH2 2.98Å; H417-R420 PolarHBondContact NE2-NH2 3.17Å; H417-R420 WeakPolarHBondContact O-CB 3.5Å; H417-R420 PolarHBondContact O-N 3.23Å; H417-R420 VanDerWaalsContact O-N 3.09Å; H417-L421 PolarHBondContact O-N 3.35Å
418L90.8Very high89.6Confident0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-56.8-42.7175-64.5177.4000111.9A375 F413 D414 S415 R420 L421 I422 F577 N580A375-L418 HydrophobicContact CB-CD2 3.73Å; F413-L418 HydrophobicContact CB-CD1 3.97Å; F413-L418 HydrophobicContact CB-CD2 3.85Å; F413-L418 HydrophobicContact CB-CG 3.97Å; F413-L418 HydrophobicContact CG-CD2 4.43Å; D414-L418 PolarHBondContact O-N 2.9Å; S415-L418 PolarHBondContact O-N 3.28Å; L418-R420 VanDerWaalsContact C-N 3.32Å; L418-R420 PolarHBondContact O-N 2.99Å; L418-L421 WeakPolarHBondContact O-CB 3.39Å; L418-L421 PolarHBondContact O-N 3.33Å; L418-I422 PolarHBondContact O-N 2.58Å; L418-F577 HydrophobicContact CB-CD2 3.64Å; L418-F577 HydrophobicContact CB-CE2 3.41Å; L418-F577 VanDerWaalsContact CB-CE2 3.41Å; L418-F577 HydrophobicContact CB-CG 4.41Å; L418-F577 HydrophobicContact CB-CZ 3.99Å; L418-F577 HydrophobicContact CD1-CB 4.48Å; L418-F577 HydrophobicContact CD1-CD1 4.22Å; L418-F577 HydrophobicContact CD1-CD2 4.02Å; L418-F577 HydrophobicContact CD1-CE1 4.5Å; L418-F577 HydrophobicContact CD1-CE2 4.33Å; L418-F577 HydrophobicContact CD1-CG 3.97Å; L418-F577 HydrophobicContact CG-CD2 4.48Å; L418-N580 WeakPolarHBondContact CD1-ND2 3.42Å
419L88.4Confident89.3Confident3 Ų322.4 Ų22.42%0.01611%0.109CC..Hα-helixtrans-61.4-38.9176.5-166.966.6000112.3S415 H417 I422 R423 A478 A479 F482 I514 F518 F577S415-L419 VanDerWaalsContact O-CB 3.28Å; S415-L419 WeakPolarHBondContact O-CB 3.31Å; S415-L419 PolarHBondContact O-N 2.85Å; H417-L419 VanDerWaalsContact C-N 3.27Å; H417-L419 PolarHBondContact O-N 2.98Å; L419-I422 PolarHBondContact O-N 2.9Å; L419-R423 PolarHBondContact O-N 3.46Å; L419-A478 HydrophobicContact CB-CB 4.39Å; L419-A478 HydrophobicContact CD2-CB 4.13Å; L419-A478 HydrophobicContact CG-CB 3.77Å; L419-A479 HydrophobicContact CD2-CB 3.73Å; L419-F482 HydrophobicContact CD1-CB 4.27Å; L419-F482 HydrophobicContact CD1-CD2 3.5Å; L419-F482 VanDerWaalsContact CD1-CD2 3.5Å; L419-F482 HydrophobicContact CD1-CE2 4.18Å; L419-F482 HydrophobicContact CD1-CG 4.18Å; L419-F482 HydrophobicContact CG-CD2 3.98Å; L419-I514 HydrophobicContact CD1-CG2 3.22Å; L419-F518 HydrophobicContact CB-CD2 4.44Å; L419-F518 HydrophobicContact CD2-CB 4.46Å; L419-F518 HydrophobicContact CD2-CD1 4.23Å; L419-F518 HydrophobicContact CD2-CD2 3.75Å; L419-F518 HydrophobicContact CD2-CE1 4.45Å; L419-F518 HydrophobicContact CD2-CE2 4Å; L419-F518 HydrophobicContact CD2-CG 3.87Å; L419-F518 HydrophobicContact CD2-CZ 4.34Å; L419-F577 HydrophobicContact CB-CZ 4.49Å
420R83.4Confident88.8Confident102 Ų10226.9 Ų26.939%0.38513%0.13SC..Hα-helixtrans-62.6-40.5171.3-179.4176.472.7-177.7-1.1112C416 H417 L418 R423 N424 L669C416-R420 PolarHBondContact O-N 3.18Å; H417-R420 PolarHBondContact CD2-NH2 2.98Å; H417-R420 PolarHBondContact NE2-NH2 3.17Å; H417-R420 WeakPolarHBondContact O-CB 3.5Å; H417-R420 PolarHBondContact O-N 3.23Å; H417-R420 VanDerWaalsContact O-N 3.09Å; L418-R420 VanDerWaalsContact C-N 3.32Å; L418-R420 PolarHBondContact O-N 2.99Å; R420-R423 PolarHBondContact O-N 3.39Å; R420-N424 WeakPolarHBondContact O-CB 3.2Å; R420-N424 PolarHBondContact O-N 3.31Å; R420-N424 PolarHBondContact O-OD1 3.22Å; R420-N424 VanDerWaalsContact O-OD1 3.09Å; R420-L669 HydrophobicContact CB-CD2 4.34Å; R420-L669 HydrophobicContact CG-CD2 3.87Å
421L87.8Confident88.4Confident42 Ų4227.6 Ų27.622%0.2214%0.135CC..Hα-helixtrans-66.5-40.4177.3-64.5176.5000111.9A375 H417 L418 N424 A425 L572A375-L421 HydrophobicContact CB-CD1 3.75Å; H417-L421 PolarHBondContact O-N 3.35Å; L418-L421 WeakPolarHBondContact O-CB 3.39Å; L418-L421 PolarHBondContact O-N 3.33Å; L421-N424 PolarHBondContact O-N 2.73Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 3.03Å; L421-L572 HydrophobicContact CD1-CB 4.24Å; L421-L572 HydrophobicContact CD1-CD2 4.14Å; L421-L572 HydrophobicContact CD1-CG 4.08Å
422I90.2Very high88.1Confident0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-64.1-43.6174.1-67.8-176.3000111L418 L419 N424 A425 F426 F482 F510 I514 F554 F574 F577L418-I422 PolarHBondContact O-N 2.58Å; L419-I422 PolarHBondContact O-N 2.9Å; I422-N424 VanDerWaalsContact C-N 3.34Å; I422-N424 PolarHBondContact O-N 2.81Å; I422-A425 PolarHBondContact O-N 3.38Å; I422-F426 WeakPolarHBondContact O-CB 3.24Å; I422-F426 PolarHBondContact O-N 3.01Å; I422-F482 HydrophobicContact CG2-CE2 4.13Å; I422-F482 HydrophobicContact CG2-CZ 3.85Å; I422-F510 HydrophobicContact CG2-CZ 4.07Å; I422-I514 HydrophobicContact CD1-CD1 3.95Å; I422-I514 HydrophobicContact CG2-CD1 4.23Å; I422-I514 HydrophobicContact CG2-CG1 4.45Å; I422-F554 HydrophobicContact CD1-CZ 4.27Å; I422-F574 HydrophobicContact CB-CE1 4.43Å; I422-F574 HydrophobicContact CB-CZ 4.42Å; I422-F574 HydrophobicContact CD1-CD1 3.75Å; I422-F574 HydrophobicContact CD1-CE1 3.85Å; I422-F574 HydrophobicContact CD1-CG 4.4Å; I422-F574 HydrophobicContact CG1-CD1 3.99Å; I422-F574 HydrophobicContact CG1-CE1 3.84Å; I422-F574 HydrophobicContact CG1-CE2 4.41Å; I422-F574 HydrophobicContact CG1-CG 4.36Å; I422-F574 HydrophobicContact CG1-CZ 4.06Å; I422-F574 HydrophobicContact CG2-CE1 3.89Å; I422-F574 HydrophobicContact CG2-CZ 4Å; I422-F577 HydrophobicContact CD1-CD2 3.62Å; I422-F577 HydrophobicContact CD1-CE2 3.88Å
423R86.8Confident87.7Confident23 Ų2329.9 Ų29.99%0.08715%0.146CC..Hα-helixtrans-55.9-48173.7-168.3-152.172.597.818.1111.6L419 R420 F426 Q427 W441 A478 L481 F482L419-R423 PolarHBondContact O-N 3.46Å; R420-R423 PolarHBondContact O-N 3.39Å; R423-F426 PolarHBondContact O-N 2.88Å; R423-Q427 WeakPolarHBondContact O-CB 3.4Å; R423-Q427 PolarHBondContact O-N 3.06Å; R423-W441 HydrophobicContact CG-CH2 4.3Å; R423-W441 HydrophobicContact CG-CZ3 4.41Å; R423-A478 HydrophobicContact CB-CB 3.86Å; R423-A478 HydrophobicContact CG-CB 4.23Å; R423-L481 HydrophobicContact CG-CD1 4.31Å; R423-F482 HydrophobicContact CB-CE2 3.83Å; R423-F482 HydrophobicContact CB-CZ 4.4Å; R423-F482 HydrophobicContact CG-CE2 4.41Å
424N84.2Confident87.4Confident51 Ų5130.8 Ų30.827%0.27315%0.15SC..Hα-helixtrans-64-41.9179.6-67.53.8000111.5R420 L421 I422 N428R420-N424 WeakPolarHBondContact O-CB 3.2Å; R420-N424 PolarHBondContact O-N 3.31Å; R420-N424 PolarHBondContact O-OD1 3.22Å; R420-N424 VanDerWaalsContact O-OD1 3.09Å; L421-N424 PolarHBondContact O-N 2.73Å; I422-N424 VanDerWaalsContact C-N 3.34Å; I422-N424 PolarHBondContact O-N 2.81Å; N424-N428 WeakPolarHBondContact O-CB 3.45Å; N424-N428 PolarHBondContact O-N 2.91Å; N424-N428 PolarHBondContact O-ND2 3.18Å
425A87.3Confident86.9Confident0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-61.8-47.9175.900000111.3L421 I422 Q427 N428 F429 Q570 F574L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 3.03Å; I422-A425 PolarHBondContact O-N 3.38Å; A425-Q427 PolarHBondContact O-N 3.18Å; A425-N428 PolarHBondContact O-N 3.04Å; A425-N428 VanDerWaalsContact O-N 3.1Å; A425-F429 HydrophobicContact CB-CD2 4.22Å; A425-F429 HydrophobicContact CB-CE2 4.14Å; A425-F429 WeakPolarHBondContact O-CD2 3.33Å; A425-F429 PolarHBondContact O-N 3.23Å; A425-Q570 HydrophobicContact CB-CB 4.23Å; A425-F574 HydrophobicContact CB-CE2 4.03Å; A425-F574 HydrophobicContact CB-CZ 4.46Å
426F87.7Confident86.3Confident0 Ų039.6 Ų39.60%019%0.194CC..Hα-helixtrans-62.1-43.4179.7-172.2-156000112.2I422 R423 N428 F429 Q430 I432 A439 H440 W441 L444 F482 F510I422-F426 WeakPolarHBondContact O-CB 3.24Å; I422-F426 PolarHBondContact O-N 3.01Å; R423-F426 PolarHBondContact O-N 2.88Å; F426-N428 VanDerWaalsContact C-N 3.31Å; F426-N428 PolarHBondContact O-N 3.27Å; F426-F429 PolarHBondContact O-N 3.42Å; F426-Q430 PolarHBondContact O-N 3.08Å; F426-I432 HydrophobicContact CB-CD1 3.98Å; F426-I432 HydrophobicContact CD2-CD1 3.71Å; F426-I432 HydrophobicContact CD2-CG1 4.09Å; F426-I432 HydrophobicContact CG-CD1 4.12Å; F426-A439 HydrophobicContact CE2-CB 4.04Å; F426-A439 WeakPolarHBondContact CE2-O 3.26Å; F426-A439 HydrophobicContact CZ-CB 3.95Å; F426-H440 VanDerWaalsContact CZ-C 3.47Å; F426-H440 WeakPolarHBondContact CZ-O 3.47Å; F426-W441 HydrophobicContact CB-CE3 4.22Å; F426-W441 HydrophobicContact CB-CZ3 4.47Å; F426-W441 AromaticContact CD1-CE3 3.57Å; F426-W441 HydrophobicContact CD1-CE3 3.57Å; F426-W441 AromaticContact CD1-CZ3 3.96Å; F426-W441 HydrophobicContact CD1-CZ3 3.96Å; F426-W441 HydrophobicContact CD2-CB 4.47Å; F426-W441 HydrophobicContact CD2-CE3 4.43Å; F426-W441 AromaticContact CE1-CE3 4Å; F426-W441 HydrophobicContact CE1-CE3 4Å; F426-W441 HydrophobicContact CE2-CB 4.2Å; F426-W441 AromaticContact CG-CE3 3.81Å; F426-W441 HydrophobicContact CG-CE3 3.81Å; F426-W441 HydrophobicContact CG-CZ3 4.38Å; F426-W441 HydrophobicContact CZ-CB 4.41Å; F426-L444 HydrophobicContact CD1-CD1 4.43Å; F426-L444 HydrophobicContact CE1-CD1 3.79Å; F426-F482 HydrophobicContact CD1-CE1 4.13Å; F426-F482 HydrophobicContact CD1-CZ 4.26Å; F426-F510 HydrophobicContact CD1-CD1 4.32Å; F426-F510 AromaticContact CD1-CE1 3.82Å; F426-F510 HydrophobicContact CD1-CE1 3.82Å; F426-F510 HydrophobicContact CE1-CD1 4.1Å; F426-F510 HydrophobicContact CE1-CE1 4.08Å; F426-F510 HydrophobicContact CG-CE1 4.08Å; F426-F510 HydrophobicContact CZ-CD1 4.39Å
427Q84.3Confident86.4Confident43 Ų4339.7 Ų39.720%0.20120%0.2CC..Hα-helixtrans-61.6-35.9172.8-173.7177.43.500112.6R423 A425 Q430 W441R423-Q427 WeakPolarHBondContact O-CB 3.4Å; R423-Q427 PolarHBondContact O-N 3.06Å; A425-Q427 PolarHBondContact O-N 3.18Å; Q427-Q430 PolarHBondContact O-NE2 3.13Å; Q427-W441 HydrophobicContact CB-CD2 4.2Å; Q427-W441 HydrophobicContact CB-CE3 4.15Å; Q427-W441 HydrophobicContact CB-CH2 3.91Å; Q427-W441 HydrophobicContact CB-CZ2 3.95Å; Q427-W441 HydrophobicContact CB-CZ3 4.01Å; Q427-W441 HydrophobicContact CG-CD2 4.47Å; Q427-W441 HydrophobicContact CG-CH2 4.29Å; Q427-W441 HydrophobicContact CG-CZ2 3.84Å
428N83.9Confident86.6Confident104 Ų10441.9 Ų41.956%0.55621%0.212SC*.Hα-helixtrans-77.8-36.1-179.8-72.8-19.4000113.2N424 A425 F426 Q570N424-N428 WeakPolarHBondContact O-CB 3.45Å; N424-N428 PolarHBondContact O-N 2.91Å; N424-N428 PolarHBondContact O-ND2 3.18Å; A425-N428 PolarHBondContact O-N 3.04Å; A425-N428 VanDerWaalsContact O-N 3.1Å; F426-N428 VanDerWaalsContact C-N 3.31Å; F426-N428 PolarHBondContact O-N 3.27Å; N428-Q570 PolarHBondContact ND2-OE1 3.34Å
429F84.9Confident86.6Confident41 Ų4141.9 Ų41.918%0.1821%0.212CC..Hα-helixtrans-82.3-20.5179.7-69.8-62.4000113.3A425 F426 S431 I432 D559 I565 Q570A425-F429 HydrophobicContact CB-CD2 4.22Å; A425-F429 HydrophobicContact CB-CE2 4.14Å; A425-F429 WeakPolarHBondContact O-CD2 3.33Å; A425-F429 PolarHBondContact O-N 3.23Å; F426-F429 PolarHBondContact O-N 3.42Å; F429-S431 PolarHBondContact O-N 2.95Å; F429-I432 HydrophobicContact CB-CG1 4.25Å; F429-D559 HydrophobicContact CD1-CB 3.82Å; F429-D559 HydrophobicContact CE1-CB 4Å; F429-I565 HydrophobicContact CD2-CD1 3.91Å; F429-I565 HydrophobicContact CE2-CD1 3.89Å; F429-I565 HydrophobicContact CE2-CG1 4.08Å; F429-I565 HydrophobicContact CE2-CG2 3.92Å; F429-I565 HydrophobicContact CG-CD1 4.47Å; F429-I565 HydrophobicContact CZ-CD1 4.4Å; F429-I565 HydrophobicContact CZ-CG1 4.16Å; F429-I565 HydrophobicContact CZ-CG2 4.33Å; F429-Q570 HydrophobicContact CE2-CB 4.01Å; F429-Q570 HydrophobicContact CZ-CB 4.15Å; F429-Q570 HydrophobicContact CZ-CG 4.46Å
430Q85.6Confident86.6Confident95 Ų9544.8 Ų44.844%0.44423%0.226SC..SBendtrans62.2-33.1-175.6-65.6-67.5-36.400115.4F426 Q427 W441F426-Q430 PolarHBondContact O-N 3.08Å; Q427-Q430 PolarHBondContact O-NE2 3.13Å; Q430-W441 WeakPolarHBondContact O-CB 3.48Å; Q430-W441 PolarHBondContact O-N 2.95Å
431S88.4Confident86.7Confident14 Ų1440.6 Ų40.610%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-141.6150.2163.460.50000111.6F429 A439 T560F429-S431 PolarHBondContact O-N 2.95Å; S431-A439 CarbonylContact C-O 3.59Å; S431-A439 WeakPolarHBondContact CA-O 3.48Å; S431-A439 WeakPolarHBondContact CB-O 3.47Å; S431-T560 WeakPolarHBondContact OG-CG2 3.35Å
432I90.1Very high86.5Confident0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-129125.5178.3-65.1169.5000107.8F426 F429 A439 F510 L557 I565 F574F426-I432 HydrophobicContact CB-CD1 3.98Å; F426-I432 HydrophobicContact CD2-CD1 3.71Å; F426-I432 HydrophobicContact CD2-CG1 4.09Å; F426-I432 HydrophobicContact CG-CD1 4.12Å; F429-I432 HydrophobicContact CB-CG1 4.25Å; I432-A439 PolarHBondContact N-O 3.25Å; I432-A439 PolarHBondContact O-N 2.85Å; I432-F510 HydrophobicContact CD1-CZ 4.13Å; I432-L557 HydrophobicContact CG2-CB 4.36Å; I432-L557 HydrophobicContact CG2-CD2 3.39Å; I432-L557 HydrophobicContact CG2-CG 4.34Å; I432-I565 HydrophobicContact CB-CD1 4.46Å; I432-I565 HydrophobicContact CD1-CD1 4.34Å; I432-I565 HydrophobicContact CG1-CD1 3.92Å; I432-I565 HydrophobicContact CG2-CD1 3.87Å; I432-F574 HydrophobicContact CD1-CZ 4.47Å
433Q89.6Confident86.2Confident51 Ų5143.5 Ų43.524%0.23822%0.222CC..EExtended strand (participates in β ladder)trans-95.3141.3178.2-59.4-178.7-7.700110.2I438 L557 S558 N562Q433-I438 HydrophobicContact CG-CD1 4.13Å; Q433-I438 HydrophobicContact CG-CG1 4.06Å; Q433-I438 HydrophobicContact CG-CG2 4.09Å; Q433-L557 WeakPolarHBondContact O-CA 3.47Å; Q433-S558 WeakPolarHBondContact CB-OG 3.08Å; Q433-S558 PolarHBondContact N-O 3.33Å; Q433-S558 PolarHBondContact O-N 3.35Å; Q433-N562 PolarHBondContact OE1-OD1 3Å
434F88.8Confident85.9Confident18 Ų1843 Ų438%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-157.2174.7177.762.7-72.9000111.2N436 G437 A439 G506 H509 F510 I553 L557F434-N436 HydrophobicContact CD2-CB 4.08Å; F434-N436 HydrophobicContact CE2-CB 3.68Å; F434-N436 HydrophobicContact CZ-CB 4.49Å; F434-N436 PolarHBondContact O-N 3.09Å; F434-G437 WeakPolarHBondContact CD1-O 3.27Å; F434-G437 WeakPolarHBondContact CE1-O 2.79Å; F434-G437 PolarHBondContact N-O 3.07Å; F434-G437 PolarHBondContact O-N 3.34Å; F434-A439 HydrophobicContact CE1-CB 4.04Å; F434-G506 WeakPolarHBondContact CZ-O 3.48Å; F434-H509 HydrophobicContact CE2-CB 4.46Å; F434-H509 HydrophobicContact CZ-CB 4.33Å; F434-F510 HydrophobicContact CE1-CB 4.1Å; F434-F510 HydrophobicContact CZ-CB 3.94Å; F434-I553 HydrophobicContact CB-CG2 4.03Å; F434-I553 HydrophobicContact CD2-CD1 4.24Å; F434-I553 HydrophobicContact CD2-CG1 4.26Å; F434-I553 HydrophobicContact CD2-CG2 3.7Å; F434-I553 HydrophobicContact CE2-CD1 4.4Å; F434-I553 HydrophobicContact CE2-CG2 4.46Å; F434-I553 HydrophobicContact CG-CG2 4.11Å; F434-L557 HydrophobicContact CB-CD2 3.82Å; F434-L557 HydrophobicContact CG-CD2 4.41Å
435I81.8Confident85.5Confident127 Ų12743.8 Ų43.865%0.65123%0.228SC*.THydrogen-bonded Turntrans-63.2-18-170.2-160.5169.2000115.1I553I435-I553 HydrophobicContact CG2-CG1 4.21Å
436N78.3Confident84.9Confident70 Ų7046.1 Ų46.137%0.37424%0.238SC..THydrogen-bonded Turntrans-10312.8175.1-49.321.9000113.1F434F434-N436 HydrophobicContact CD2-CB 4.08Å; F434-N436 HydrophobicContact CE2-CB 3.68Å; F434-N436 HydrophobicContact CZ-CB 4.49Å; F434-N436 PolarHBondContact O-N 3.09Å
437G85.9Confident84.3Confident32 Ų3246.5 Ų46.533%0.3324%0.24SC..EExtended strand (participates in β ladder)trans126.6-155.7175.600000114.4F434F434-G437 WeakPolarHBondContact CD1-O 3.27Å; F434-G437 WeakPolarHBondContact CE1-O 2.79Å; F434-G437 PolarHBondContact N-O 3.07Å; F434-G437 PolarHBondContact O-N 3.34Å
438I90Very high83.4Confident64 Ų6446.9 Ų46.933%0.32825%0.246SC..EExtended strand (participates in β ladder)trans-118.7124.3-177.6-46.6-176.2000109.3Q433 H440 G506Q433-I438 HydrophobicContact CG-CD1 4.13Å; Q433-I438 HydrophobicContact CG-CG1 4.06Å; Q433-I438 HydrophobicContact CG-CG2 4.09Å; I438-H440 VanDerWaalsContact CG2-NE2 3.34Å; I438-H440 WeakPolarHBondContact CG2-NE2 3.27Å; I438-G506 CarbonylContact O-C 3.55Å; I438-G506 WeakPolarHBondContact O-CA 3.36Å
439A91.2Very high82.5Confident0 Ų044 Ų440%024%0.236CC..EExtended strand (participates in β ladder)trans-90.4124.817000000109F426 S431 I432 F434 F510F426-A439 HydrophobicContact CE2-CB 4.04Å; F426-A439 WeakPolarHBondContact CE2-O 3.26Å; F426-A439 HydrophobicContact CZ-CB 3.95Å; S431-A439 CarbonylContact C-O 3.59Å; S431-A439 WeakPolarHBondContact CA-O 3.48Å; S431-A439 WeakPolarHBondContact CB-O 3.47Å; I432-A439 PolarHBondContact N-O 3.25Å; I432-A439 PolarHBondContact O-N 2.85Å; F434-A439 HydrophobicContact CE1-CB 4.04Å; A439-F510 HydrophobicContact CB-CB 3.7Å; A439-F510 HydrophobicContact CB-CD1 4Å; A439-F510 HydrophobicContact CB-CG 3.91Å
440H89.4Confident81.5Confident63 Ų6344.2 Ų44.229%0.29224%0.239SC..EExtended strand (participates in β ladder)trans-107.5136.1174.5-61.5-96000110.6F426 I438 Q442 H443 T507F426-H440 VanDerWaalsContact CZ-C 3.47Å; F426-H440 WeakPolarHBondContact CZ-O 3.47Å; I438-H440 VanDerWaalsContact CG2-NE2 3.34Å; I438-H440 WeakPolarHBondContact CG2-NE2 3.27Å; H440-Q442 VanDerWaalsContact C-N 3.29Å; H440-H443 AromaticContact CD2-CE1 3.72Å; H440-H443 AromaticContact CG-CE1 4Å; H440-T507 PolarHBondContact N-OG1 3.38Å; H440-T507 PolarHBondContact O-OG1 3.4Å; H440-T507 VanDerWaalsContact O-OG1 3.09Å
441W85.6Confident79.9Confident15 Ų1540.2 Ų40.26%0.05722%0.221CC..SBendtrans-68.4-31.3172.1-178.8-94.5000111.4R423 F426 Q427 Q430 H443 L444 V445 L481R423-W441 HydrophobicContact CG-CH2 4.3Å; R423-W441 HydrophobicContact CG-CZ3 4.41Å; F426-W441 HydrophobicContact CB-CE3 4.22Å; F426-W441 HydrophobicContact CB-CZ3 4.47Å; F426-W441 AromaticContact CD1-CE3 3.57Å; F426-W441 HydrophobicContact CD1-CE3 3.57Å; F426-W441 AromaticContact CD1-CZ3 3.96Å; F426-W441 HydrophobicContact CD1-CZ3 3.96Å; F426-W441 HydrophobicContact CD2-CB 4.47Å; F426-W441 HydrophobicContact CD2-CE3 4.43Å; F426-W441 AromaticContact CE1-CE3 4Å; F426-W441 HydrophobicContact CE1-CE3 4Å; F426-W441 HydrophobicContact CE2-CB 4.2Å; F426-W441 AromaticContact CG-CE3 3.81Å; F426-W441 HydrophobicContact CG-CE3 3.81Å; F426-W441 HydrophobicContact CG-CZ3 4.38Å; F426-W441 HydrophobicContact CZ-CB 4.41Å; Q427-W441 HydrophobicContact CB-CD2 4.2Å; Q427-W441 HydrophobicContact CB-CE3 4.15Å; Q427-W441 HydrophobicContact CB-CH2 3.91Å; Q427-W441 HydrophobicContact CB-CZ2 3.95Å; Q427-W441 HydrophobicContact CB-CZ3 4.01Å; Q427-W441 HydrophobicContact CG-CD2 4.47Å; Q427-W441 HydrophobicContact CG-CH2 4.29Å; Q427-W441 HydrophobicContact CG-CZ2 3.84Å; Q430-W441 WeakPolarHBondContact O-CB 3.48Å; Q430-W441 PolarHBondContact O-N 2.95Å; W441-H443 VanDerWaalsContact C-N 3.31Å; W441-H443 PolarHBondContact O-N 2.96Å; W441-L444 HydrophobicContact CE3-CD1 4.03Å; W441-L444 HydrophobicContact CZ3-CD1 4.16Å; W441-L444 WeakPolarHBondContact O-CB 3.31Å; W441-L444 PolarHBondContact O-N 2.87Å; W441-V445 PolarHBondContact O-N 3.48Å; W441-L481 HydrophobicContact CH2-CD1 3.51Å; W441-L481 HydrophobicContact CZ2-CD1 4.45Å; W441-L481 HydrophobicContact CZ3-CD1 3.77Å; W441-L481 HydrophobicContact CZ3-CD2 4.45Å
442Q83.4Confident78Confident89 Ų8945 Ų4542%0.41624%0.241SC..Hα-helixtrans-54.9-41.9179.9-175.660.916.400113H440 L444 V445 E446H440-Q442 VanDerWaalsContact C-N 3.29Å; Q442-L444 PolarHBondContact O-N 3.06Å; Q442-L444 VanDerWaalsContact O-N 3.1Å; Q442-V445 WeakPolarHBondContact O-CA 3.47Å; Q442-V445 WeakPolarHBondContact O-CB 3.44Å; Q442-V445 PolarHBondContact O-N 3.44Å; Q442-E446 HydrophobicContact CG-CG 4.39Å; Q442-E446 VanDerWaalsContact CG-OE1 3.29Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.49Å; Q442-E446 PolarHBondContact NE2-OE1 3.02Å; Q442-E446 PolarHBondContact O-N 3.48Å
443H83.4Confident76Confident14 Ų1451.9 Ų51.97%0.06527%0.274CS..Hα-helixtrans-57-28.5175.7-55.9147.2000113.1H440 W441 L447 P500 F501 N503 T507H440-H443 AromaticContact CD2-CE1 3.72Å; H440-H443 AromaticContact CG-CE1 4Å; W441-H443 VanDerWaalsContact C-N 3.31Å; W441-H443 PolarHBondContact O-N 2.96Å; H443-L447 WeakPolarHBondContact O-CB 3.4Å; H443-L447 PolarHBondContact O-N 3.09Å; H443-L447 VanDerWaalsContact O-N 3.15Å; H443-P500 PolarHBondContact CD2-O 2.92Å; H443-F501 WeakPolarHBondContact O-CE1 3.24Å; H443-N503 PolarHBondContact CE1-O 2.67Å; H443-T507 HydrophobicContact CB-CG2 4.48Å; H443-T507 PolarHBondContact ND1-OG1 3.15Å
444L79.2Confident74.1Confident13 Ų1353.5 Ų53.57%0.06828%0.281CS..Hα-helixtrans-79.6-32.8175.5-64.3171.9000112.3F426 W441 Q442 V448 L481 V486 L490 L511F426-L444 HydrophobicContact CD1-CD1 4.43Å; F426-L444 HydrophobicContact CE1-CD1 3.79Å; W441-L444 HydrophobicContact CE3-CD1 4.03Å; W441-L444 HydrophobicContact CZ3-CD1 4.16Å; W441-L444 WeakPolarHBondContact O-CB 3.31Å; W441-L444 PolarHBondContact O-N 2.87Å; Q442-L444 PolarHBondContact O-N 3.06Å; Q442-L444 VanDerWaalsContact O-N 3.1Å; L444-V448 WeakPolarHBondContact O-CG2 3.48Å; L444-V448 PolarHBondContact O-N 3.37Å; L444-L481 HydrophobicContact CD1-CD1 4.03Å; L444-L481 HydrophobicContact CD1-CD2 3.72Å; L444-L481 HydrophobicContact CD1-CG 3.85Å; L444-V486 HydrophobicContact CD2-CG1 3.78Å; L444-L490 HydrophobicContact CD2-CD1 4.49Å; L444-L511 HydrophobicContact CD1-CD2 4.43Å; L444-L511 HydrophobicContact CD2-CD1 4Å; L444-L511 HydrophobicContact CD2-CD2 4.46Å
445V76.6Confident71.8Confident67 Ų6755.8 Ų55.841%0.40629%0.294SS..Hα-helixtrans-68.6-44.1175-179.80000109.9W441 Q442 V448 A449W441-V445 PolarHBondContact O-N 3.48Å; Q442-V445 WeakPolarHBondContact O-CA 3.47Å; Q442-V445 WeakPolarHBondContact O-CB 3.44Å; Q442-V445 PolarHBondContact O-N 3.44Å; V445-V448 PolarHBondContact O-N 3.2Å; V445-A449 PolarHBondContact O-N 3.32Å
446E74.9Confident70Confident48 Ų4854.6 Ų54.622%0.22430%0.297CS..Hα-helixtrans-67.8-34.4178.3-72.4162.5172.500112.4Q442 A449 L450 P500 F501Q442-E446 HydrophobicContact CG-CG 4.39Å; Q442-E446 VanDerWaalsContact CG-OE1 3.29Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.49Å; Q442-E446 PolarHBondContact NE2-OE1 3.02Å; Q442-E446 PolarHBondContact O-N 3.48Å; E446-A449 PolarHBondContact O-N 2.7Å; E446-L450 PolarHBondContact O-N 2.99Å; E446-P500 HydrophobicContact CB-CB 4.31Å; E446-P500 HydrophobicContact CG-CB 4.29Å; E446-P500 VanDerWaalsContact OE2-CB 3.31Å; E446-P500 WeakPolarHBondContact OE2-CB 3.13Å; E446-F501 HydrophobicContact CB-CE1 4.46Å; E446-F501 HydrophobicContact CB-CE2 4.46Å; E446-F501 HydrophobicContact CB-CZ 3.84Å
447L74.5Confident68.1Low8 Ų857.3 Ų57.34%0.04231%0.311CS..Hα-helixtrans-60.6-45172.6177.865.4000111.4H443 E451 L468 V486 A489 L490 L493 F501H443-L447 WeakPolarHBondContact O-CB 3.4Å; H443-L447 PolarHBondContact O-N 3.09Å; H443-L447 VanDerWaalsContact O-N 3.15Å; L447-E451 PolarHBondContact O-N 2.68Å; L447-L468 HydrophobicContact CD1-CD2 4.26Å; L447-L468 HydrophobicContact CD2-CD2 4.44Å; L447-V486 HydrophobicContact CD2-CG1 3.76Å; L447-A489 HydrophobicContact CD1-CB 4.49Å; L447-L490 HydrophobicContact CB-CD2 4.4Å; L447-L490 HydrophobicContact CD2-CD2 4.26Å; L447-L490 HydrophobicContact CD2-CG 4.46Å; L447-L493 HydrophobicContact CD1-CD1 3.52Å; L447-F501 HydrophobicContact CB-CE1 4.33Å; L447-F501 HydrophobicContact CB-CZ 4.38Å
448V66.3Low65.8Low52 Ų5260.9 Ų60.932%0.31532%0.321SS..Hα-helixtrans-66.2-40.2175.9178.50000111.1L444 V445 E451 E452 V472L444-V448 WeakPolarHBondContact O-CG2 3.48Å; L444-V448 PolarHBondContact O-N 3.37Å; V445-V448 PolarHBondContact O-N 3.2Å; V448-E451 PolarHBondContact O-N 2.97Å; V448-E452 PolarHBondContact O-N 3.08Å; V448-V472 HydrophobicContact CG2-CG1 3.71Å
449A64.6Low63.2Low43 Ų4367.4 Ų67.436%0.35535%0.35SS..Hα-helixtrans-65.6-39.4179.400000112.9V445 E446 E451 E452 Q453V445-A449 PolarHBondContact O-N 3.32Å; E446-A449 PolarHBondContact O-N 2.7Å; A449-E451 VanDerWaalsContact C-N 3.32Å; A449-E451 PolarHBondContact O-N 3.11Å; A449-E452 PolarHBondContact O-N 3.02Å; A449-E452 VanDerWaalsContact O-N 3.17Å; A449-Q453 PolarHBondContact O-N 3.2Å; A449-Q453 VanDerWaalsContact O-N 3.15Å
450L62.9Low60.7Low46 Ų4678.7 Ų78.724%0.24139%0.392CS..Hα-helixtrans-62.4-38.1173.9-79.7-170.2000112.4E446 E452 Q453 E454 L493 L498 F501E446-L450 PolarHBondContact O-N 2.99Å; L450-E452 PolarHBondContact O-N 2.81Å; L450-Q453 PolarHBondContact O-N 3.44Å; L450-E454 PolarHBondContact O-N 2.99Å; L450-L493 HydrophobicContact CD1-CD1 4.28Å; L450-L493 HydrophobicContact CD1-CD2 4.39Å; L450-L498 HydrophobicContact CD1-CD1 4.06Å; L450-F501 HydrophobicContact CD1-CD2 4.34Å; L450-F501 HydrophobicContact CD1-CE2 3.44Å; L450-F501 VanDerWaalsContact CD1-CE2 3.44Å; L450-F501 HydrophobicContact CD1-CZ 4.05Å; L450-F501 HydrophobicContact CG-CE2 4.27Å
451E52.9Low58.5Low11 Ų1178.2 Ų78.25%0.05139%0.392CS..Hα-helixtrans-63.8-26.9175.1-73-178.2-171.500113.1L447 V448 A449 L455 L468 V472 L473L447-E451 PolarHBondContact O-N 2.68Å; V448-E451 PolarHBondContact O-N 2.97Å; A449-E451 VanDerWaalsContact C-N 3.32Å; A449-E451 PolarHBondContact O-N 3.11Å; E451-L455 WeakPolarHBondContact O-CB 3.08Å; E451-L455 WeakPolarHBondContact O-CD1 3.4Å; E451-L468 WeakPolarHBondContact OE1-CB 3.34Å; E451-L468 WeakPolarHBondContact OE1-CD2 3.26Å; E451-V472 WeakPolarHBondContact OE1-CB 3.39Å; E451-V472 WeakPolarHBondContact OE2-CB 3.43Å; E451-V472 VanDerWaalsContact OE2-CG1 3.26Å; E451-V472 WeakPolarHBondContact OE2-CG1 3.38Å; E451-L473 HydrophobicContact CB-CD2 4.32Å; E451-L473 HydrophobicContact CB-CG 4.33Å
452E47.7Very low56.5Low115 Ų11579.7 Ų79.754%0.53740%0.403SS..Hα-helixtrans-82.9-33.7176.7-67.9-173.7162.600112.8V448 A449 L450 L473V448-E452 PolarHBondContact O-N 3.08Å; A449-E452 PolarHBondContact O-N 3.02Å; A449-E452 VanDerWaalsContact O-N 3.17Å; L450-E452 PolarHBondContact O-N 2.81Å; E452-L473 HydrophobicContact CG-CD2 3.64Å
453Q48.6Very low54.5Low144 Ų14479.9 Ų79.967%0.67341%0.414SS*.Hα-helixtrans-86.6-48.4-177.8-85.4-176.9-35.700114.8A449 L450 L455A449-Q453 PolarHBondContact O-N 3.2Å; A449-Q453 VanDerWaalsContact O-N 3.15Å; L450-Q453 PolarHBondContact O-N 3.44Å; Q453-L455 VanDerWaalsContact C-N 3.33Å; Q453-L455 PolarHBondContact O-N 3.18Å
454E49.9Very low52.3Low85 Ų8583.2 Ų83.240%0.39744%0.436SS..G310 helixtrans-80.2-13.3-169.2-77.7-70.7126.300113.8L450 S456 N457 M458L450-E454 PolarHBondContact O-N 2.99Å; E454-S456 PolarHBondContact O-N 3.2Å; E454-N457 PolarHBondContact O-N 3.44Å; E454-M458 WeakPolarHBondContact OE2-CE 3.41Å; E454-M458 WeakPolarHBondContact OE2-CG 3.5Å
455L41Very low50.4Low65 Ų6584.8 Ų84.834%0.3444%0.444SS..G310 helixtrans-69.2-16.5-174-117.670.1000115.3E451 Q453 K469 L473E451-L455 WeakPolarHBondContact O-CB 3.08Å; E451-L455 WeakPolarHBondContact O-CD1 3.4Å; Q453-L455 VanDerWaalsContact C-N 3.33Å; Q453-L455 PolarHBondContact O-N 3.18Å; L455-K469 HydrophobicContact CD1-CD 4.25Å; L455-K469 HydrophobicContact CD1-CG 4.13Å; L455-K469 HydrophobicContact CD2-CD 3.82Å; L455-K469 HydrophobicContact CD2-CG 4.05Å; L455-K469 HydrophobicContact CG-CD 4.15Å; L455-K469 HydrophobicContact CG-CG 4.47Å; L455-L473 HydrophobicContact CD2-CD1 4.34Å
456S42.8Very low48.6Very low103 Ų10383.6 Ų83.672%0.7244%0.441SS*.G310 helixtrans-83.2-22.4179.9-57.20000113.2E454E454-S456 PolarHBondContact O-N 3.2Å
457N39.5Very low46.9Very low127 Ų12786 Ų8668%0.67946%0.455SS*.THydrogen-bonded Turntrans-122.9-10-161.7-65.5-15.7000115.2E454E454-N457 PolarHBondContact O-N 3.44Å
458M37.5Very low45.2Very low107 Ų10786 Ų8653%0.52746%0.455SS..  trans-103.1109.5-173-73.9-67.417300114.1E454 R460 I461E454-M458 WeakPolarHBondContact OE2-CE 3.41Å; E454-M458 WeakPolarHBondContact OE2-CG 3.5Å; M458-R460 VanDerWaalsContact C-N 3.32Å; M458-R460 PolarHBondContact O-N 3.12Å; M458-I461 HydrophobicContact CB-CG1 4.38Å
459E35.2Very low43.7Very low201 Ų20186.7 Ų86.794%0.93945%0.454SS*.SBendtrans-72.4-15.4-180-65.2-168.1145.500115.1
460R39Very low42.4Very low236 Ų23688.5 Ų88.589%0.89146%0.458SS*.  trans-132111.8179.9-85.2-176.5172.2176.6-0.3111.5M458M458-R460 VanDerWaalsContact C-N 3.32Å; M458-R460 PolarHBondContact O-N 3.12Å
461I42.7Very low41Very low54 Ų5490.3 Ų90.328%0.27747%0.465SS..  trans-121.8125.8177.8-60.6175.5000107.9M458 L465 A466 K469M458-I461 HydrophobicContact CB-CG1 4.38Å; I461-L465 HydrophobicContact CG2-CB 3.41Å; I461-L465 VanDerWaalsContact CG2-CB 3.41Å; I461-A466 HydrophobicContact CG2-CB 4.42Å; I461-K469 VanDerWaalsContact CD1-NZ 3.31Å
462P43.6Very low40.2Very low46 Ų4690.9 Ų90.930%0.29947%0.469SS..  trans-56.3147.5173.6-24.333.5000111.5T464 L465 A466 Y492P462-T464 PolarHBondContact O-N 2.99Å; P462-T464 VanDerWaalsContact O-N 3.09Å; P462-L465 HydrophobicContact CG-CD1 4.45Å; P462-L465 PolarHBondContact O-N 3.3Å; P462-A466 PolarHBondContact O-N 2.97Å; P462-Y492 HydrophobicContact CG-CE1 4.26Å; P462-Y492 HydrophobicContact CG-CE2 4.45Å
463S41.4Very low39.6Very low93 Ų9388.8 Ų88.865%0.6546%0.461SS*.Hα-helixtrans-57.5-28.4-178.951.80000113.5A466 N467S463-A466 PolarHBondContact O-N 2.99Å; S463-N467 PolarHBondContact O-N 3.28Å
464T37.7Very low39Very low84 Ų8488.8 Ų88.852%0.51546%0.459SS..Hα-helixtrans-61.5-46170.330.50000113.3P462 L468P462-T464 PolarHBondContact O-N 2.99Å; P462-T464 VanDerWaalsContact O-N 3.09Å; T464-L468 VanDerWaalsContact O-CD1 3.3Å; T464-L468 WeakPolarHBondContact O-CD1 3.37Å; T464-L468 PolarHBondContact O-N 2.98Å
465L39.6Very low38.3Very low46 Ų4686.3 Ų86.324%0.24145%0.45CS..Hα-helixtrans-74.5-31.8173.5-95111.3000112.7I461 P462 N467 L468 K469 Y492I461-L465 HydrophobicContact CG2-CB 3.41Å; I461-L465 VanDerWaalsContact CG2-CB 3.41Å; P462-L465 HydrophobicContact CG-CD1 4.45Å; P462-L465 PolarHBondContact O-N 3.3Å; L465-N467 PolarHBondContact O-N 2.89Å; L465-L468 WeakPolarHBondContact O-CB 3.39Å; L465-L468 PolarHBondContact O-N 3.45Å; L465-K469 PolarHBondContact O-N 3.47Å; L465-Y492 HydrophobicContact CD1-CD1 3.44Å; L465-Y492 VanDerWaalsContact CD1-CD1 3.44Å; L465-Y492 HydrophobicContact CD1-CE1 3.54Å; L465-Y492 HydrophobicContact CD1-CG 4.39Å
466A37.4Very low38.5Very low41 Ų4185.4 Ų85.434%0.33945%0.445SS..Hα-helixtrans-62.2-33.7175.500000111.9I461 P462 S463 K469I461-A466 HydrophobicContact CG2-CB 4.42Å; P462-A466 PolarHBondContact O-N 2.97Å; S463-A466 PolarHBondContact O-N 2.99Å; A466-K469 WeakPolarHBondContact O-CB 3.47Å
467N40Very low39Very low99 Ų9980.5 Ų80.553%0.52941%0.41SS..Hα-helixtrans-71.1-36.2171.1-70.6-9.9000112.1S463 L465 K469 N470 H471S463-N467 PolarHBondContact O-N 3.28Å; L465-N467 PolarHBondContact O-N 2.89Å; N467-K469 VanDerWaalsContact C-N 3.3Å; N467-K469 PolarHBondContact O-N 2.84Å; N467-N470 PolarHBondContact O-N 3.27Å; N467-H471 PolarHBondContact O-CD2 3.32Å; N467-H471 VanDerWaalsContact O-CD2 3.28Å; N467-H471 PolarHBondContact O-N 3.4Å
468L38.1Very low39.6Very low7 Ų774.5 Ų74.54%0.03738%0.379CS..Hα-helixtrans-57.9-40.2175-100.280000112.4L447 E451 T464 L465 N470 H471 V472 A489L447-L468 HydrophobicContact CD1-CD2 4.26Å; L447-L468 HydrophobicContact CD2-CD2 4.44Å; E451-L468 WeakPolarHBondContact OE1-CB 3.34Å; E451-L468 WeakPolarHBondContact OE1-CD2 3.26Å; T464-L468 VanDerWaalsContact O-CD1 3.3Å; T464-L468 WeakPolarHBondContact O-CD1 3.37Å; T464-L468 PolarHBondContact O-N 2.98Å; L465-L468 WeakPolarHBondContact O-CB 3.39Å; L465-L468 PolarHBondContact O-N 3.45Å; L468-N470 PolarHBondContact O-N 3.32Å; L468-H471 PolarHBondContact O-N 3.02Å; L468-V472 HydrophobicContact CB-CG2 4.48Å; L468-V472 HydrophobicContact CD2-CG2 4.2Å; L468-V472 HydrophobicContact CG-CG2 4.01Å; L468-V472 PolarHBondContact O-N 3.09Å; L468-A489 HydrophobicContact CD1-CB 3.97Å; L468-A489 HydrophobicContact CD2-CB 3.35Å; L468-A489 HydrophobicContact CG-CB 4.34Å
469K35.9Very low40.4Very low68 Ų6870.9 Ų70.930%0.29637%0.366SS..Hα-helixtrans-45.9-37.1177-66.5-165.8173.3-159.50114.4L455 I461 L465 A466 N467L455-K469 HydrophobicContact CD1-CD 4.25Å; L455-K469 HydrophobicContact CD1-CG 4.13Å; L455-K469 HydrophobicContact CD2-CD 3.82Å; L455-K469 HydrophobicContact CD2-CG 4.05Å; L455-K469 HydrophobicContact CG-CD 4.15Å; L455-K469 HydrophobicContact CG-CG 4.47Å; I461-K469 VanDerWaalsContact CD1-NZ 3.31Å; L465-K469 PolarHBondContact O-N 3.47Å; A466-K469 WeakPolarHBondContact O-CB 3.47Å; N467-K469 VanDerWaalsContact C-N 3.3Å; N467-K469 PolarHBondContact O-N 2.84Å
470N37.4Very low41.6Very low81 Ų8162.3 Ų62.343%0.43333%0.326SS..Hα-helixtrans-91.1-28179.9-72.1-4.2000112.9N467 L468 E733N467-N470 PolarHBondContact O-N 3.27Å; L468-N470 PolarHBondContact O-N 3.32Å; N470-E733 PolarHBondContact ND2-OE2 3.1Å
471H34Very low42.9Very low83 Ų8352.3 Ų52.338%0.38429%0.29SS..Hα-helixtrans-89.7-31.9-168.7-88.4-73.3000114.6N467 L468 Q480N467-H471 PolarHBondContact O-CD2 3.32Å; N467-H471 VanDerWaalsContact O-CD2 3.28Å; N467-H471 PolarHBondContact O-N 3.4Å; L468-H471 PolarHBondContact O-N 3.02Å; H471-Q480 PolarHBondContact O-NE2 3.49Å
472V35.6Very low44.3Very low23 Ų2349.9 Ų49.914%0.13928%0.277CS..SBendtrans-98.4-55.9-172171.80000111.2V448 E451 L468 K474 V475 V486V448-V472 HydrophobicContact CG2-CG1 3.71Å; E451-V472 WeakPolarHBondContact OE1-CB 3.39Å; E451-V472 WeakPolarHBondContact OE2-CB 3.43Å; E451-V472 VanDerWaalsContact OE2-CG1 3.26Å; E451-V472 WeakPolarHBondContact OE2-CG1 3.38Å; L468-V472 HydrophobicContact CB-CG2 4.48Å; L468-V472 HydrophobicContact CD2-CG2 4.2Å; L468-V472 HydrophobicContact CG-CG2 4.01Å; L468-V472 PolarHBondContact O-N 3.09Å; V472-K474 PolarHBondContact O-N 3Å; V472-V475 PolarHBondContact O-N 3.28Å; V472-V486 HydrophobicContact CG2-CG2 4.32Å
473L34.8Very low45.8Very low71 Ų7148.3 Ų48.337%0.37227%0.268SS..THydrogen-bonded Turntrans-53.5-16.7176.5-73.2170.8000115.8E451 E452 L455E451-L473 HydrophobicContact CB-CD2 4.32Å; E451-L473 HydrophobicContact CB-CG 4.33Å; E452-L473 HydrophobicContact CG-CD2 3.64Å; L455-L473 HydrophobicContact CD2-CD1 4.34Å
474K36.8Very low47.6Very low144 Ų14447 Ų4763%0.62625%0.251SS*.THydrogen-bonded Turntrans-104.3-17.5-174.2-137.4173.9-164167.30114.5V472V472-K474 PolarHBondContact O-N 3Å
475V34.9Very low49.1Very low34 Ų3445.7 Ų45.721%0.20625%0.245CC..  trans-158.4124.5-166.8-125.20000116.5V472 C477 R666V472-V475 PolarHBondContact O-N 3.28Å; V475-C477 VanDerWaalsContact C-N 3.29Å; V475-C477 WeakPolarHBondContact CG1-SG 3.28Å; V475-C477 PolarHBondContact O-N 3.48Å; V475-R666 HydrophobicContact CG1-CB 4.18Å; V475-R666 WeakPolarHBondContact CG1-O 3.42Å
476N45.2Very low50.8Low45 Ų4543.9 Ų43.924%0.24124%0.236CC..  trans-92.939.4-179-53.2-85.9000113.8L671N476-L671 HydrophobicContact CB-CB 3.88Å; N476-L671 HydrophobicContact CB-CD1 3.99Å; N476-L671 HydrophobicContact CB-CG 3.65Å; N476-L671 VanDerWaalsContact CB-N 3.33Å; N476-L671 VanDerWaalsContact CG-CB 3.45Å; N476-L671 VanDerWaalsContact CG-N 3.3Å; N476-L671 PolarHBondContact ND2-N 3.12Å; N476-L671 WeakPolarHBondContact OD1-CD1 3.18Å
477C53.2Low52.9Low0 Ų041.9 Ų41.90%022%0.22CC..  trans-81.6138.1-170.1-61.60000112V475 A479 Q480 L481 R666 L669V475-C477 VanDerWaalsContact C-N 3.29Å; V475-C477 WeakPolarHBondContact CG1-SG 3.28Å; V475-C477 PolarHBondContact O-N 3.48Å; C477-A479 PolarHBondContact O-N 3.32Å; C477-A479 VanDerWaalsContact O-N 3.17Å; C477-Q480 HydrophobicContact CB-CB 4.09Å; C477-Q480 HydrophobicContact CB-CG 4.11Å; C477-Q480 PolarHBondContact O-N 2.92Å; C477-Q480 PolarHBondContact SG-OE1 2.88Å; C477-L481 WeakPolarHBondContact O-CB 3.31Å; C477-L481 PolarHBondContact O-N 2.92Å; C477-R666 HydrophobicContact CB-CB 4.36Å; C477-R666 HydrophobicContact CB-CG 3.91Å; C477-R666 VanDerWaalsContact SG-C 3.55Å; C477-R666 WeakPolarHBondContact SG-CA 3.39Å; C477-R666 WeakPolarHBondContact SG-CB 3.27Å; C477-R666 WeakPolarHBondContact SG-CG 3.41Å; C477-R666 PolarHBondContact SG-O 3.3Å; C477-L669 HydrophobicContact CB-CB 4.46Å; C477-L669 HydrophobicContact CB-CD1 4.2Å
478A52.7Low54.7Low2 Ų239.3 Ų39.32%0.01721%0.209CC..Hα-helixtrans-52.4-41.5173.900000112L419 R423 Q480 F482L419-A478 HydrophobicContact CB-CB 4.39Å; L419-A478 HydrophobicContact CD2-CB 4.13Å; L419-A478 HydrophobicContact CG-CB 3.77Å; R423-A478 HydrophobicContact CB-CB 3.86Å; R423-A478 HydrophobicContact CG-CB 4.23Å; A478-Q480 VanDerWaalsContact C-N 3.32Å; A478-Q480 PolarHBondContact O-N 2.73Å; A478-F482 HydrophobicContact CB-CD2 4.37Å; A478-F482 WeakPolarHBondContact O-CB 3.5Å; A478-F482 WeakPolarHBondContact O-CD2 3.48Å; A478-F482 PolarHBondContact O-N 3.44Å
479A53.3Low56.6Low30 Ų3039.3 Ų39.325%0.24821%0.21CC..Hα-helixtrans-76.4-7.1177.400000116L419 C477 F518L419-A479 HydrophobicContact CD2-CB 3.73Å; C477-A479 PolarHBondContact O-N 3.32Å; C477-A479 VanDerWaalsContact O-N 3.17Å; A479-F518 HydrophobicContact CB-CE1 4.08Å; A479-F518 HydrophobicContact CB-CZ 4.45Å
480Q61.2Low58.8Low22 Ų2236 Ų3610%0.10320%0.196CC..Hα-helixtrans-103.3-34.1172.7-70.1172.3-99.100110.7H471 C477 A478 S483 V486 R666H471-Q480 PolarHBondContact O-NE2 3.49Å; C477-Q480 HydrophobicContact CB-CB 4.09Å; C477-Q480 HydrophobicContact CB-CG 4.11Å; C477-Q480 PolarHBondContact O-N 2.92Å; C477-Q480 PolarHBondContact SG-OE1 2.88Å; A478-Q480 VanDerWaalsContact C-N 3.32Å; A478-Q480 PolarHBondContact O-N 2.73Å; Q480-S483 WeakPolarHBondContact O-CB 3.23Å; Q480-S483 PolarHBondContact O-OG 3.12Å; Q480-V486 WeakPolarHBondContact O-CG2 3.18Å; Q480-R666 VanDerWaalsContact OE1-CD 3.27Å
481L65.1Low61.1Low25 Ų2536 Ų3613%0.13119%0.194CC..Hα-helixtrans-65.1-48.7171-176.3152.6000111.4R423 W441 L444 C477 S483 L511R423-L481 HydrophobicContact CG-CD1 4.31Å; W441-L481 HydrophobicContact CH2-CD1 3.51Å; W441-L481 HydrophobicContact CZ2-CD1 4.45Å; W441-L481 HydrophobicContact CZ3-CD1 3.77Å; W441-L481 HydrophobicContact CZ3-CD2 4.45Å; L444-L481 HydrophobicContact CD1-CD1 4.03Å; L444-L481 HydrophobicContact CD1-CD2 3.72Å; L444-L481 HydrophobicContact CD1-CG 3.85Å; C477-L481 WeakPolarHBondContact O-CB 3.31Å; C477-L481 PolarHBondContact O-N 2.92Å; L481-S483 PolarHBondContact O-N 3.22Å; L481-S483 VanDerWaalsContact O-N 3.16Å; L481-L511 HydrophobicContact CD2-CD2 4.14Å
482F73.5Confident63.4Low3 Ų336.1 Ų36.11%0.01319%0.191CC..THydrogen-bonded Turntrans-87.153.3172.7-57.9-62000111.3L419 I422 R423 F426 A478 F510 L511 I514 N515L419-F482 HydrophobicContact CD1-CB 4.27Å; L419-F482 HydrophobicContact CD1-CD2 3.5Å; L419-F482 VanDerWaalsContact CD1-CD2 3.5Å; L419-F482 HydrophobicContact CD1-CE2 4.18Å; L419-F482 HydrophobicContact CD1-CG 4.18Å; L419-F482 HydrophobicContact CG-CD2 3.98Å; I422-F482 HydrophobicContact CG2-CE2 4.13Å; I422-F482 HydrophobicContact CG2-CZ 3.85Å; R423-F482 HydrophobicContact CB-CE2 3.83Å; R423-F482 HydrophobicContact CB-CZ 4.4Å; R423-F482 HydrophobicContact CG-CE2 4.41Å; F426-F482 HydrophobicContact CD1-CE1 4.13Å; F426-F482 HydrophobicContact CD1-CZ 4.26Å; A478-F482 HydrophobicContact CB-CD2 4.37Å; A478-F482 WeakPolarHBondContact O-CB 3.5Å; A478-F482 WeakPolarHBondContact O-CD2 3.48Å; A478-F482 PolarHBondContact O-N 3.44Å; F482-F510 HydrophobicContact CE1-CD1 4.29Å; F482-F510 AromaticContact CE1-CE1 3.8Å; F482-F510 HydrophobicContact CE1-CE1 3.8Å; F482-F510 HydrophobicContact CZ-CE1 4.38Å; F482-L511 HydrophobicContact CD1-CD2 3.48Å; F482-L511 VanDerWaalsContact CD1-CD2 3.48Å; F482-L511 HydrophobicContact CE1-CD2 3.83Å; F482-I514 HydrophobicContact CB-CB 4.18Å; F482-I514 HydrophobicContact CB-CG2 3.71Å; F482-I514 HydrophobicContact CD1-CB 3.92Å; F482-I514 HydrophobicContact CD1-CG1 4.32Å; F482-I514 HydrophobicContact CD1-CG2 3.81Å; F482-I514 HydrophobicContact CD2-CG2 3.73Å; F482-I514 HydrophobicContact CE1-CG1 4.45Å; F482-I514 HydrophobicContact CE1-CG2 4.36Å; F482-I514 HydrophobicContact CE2-CG2 4.26Å; F482-I514 HydrophobicContact CG-CB 4.05Å; F482-I514 HydrophobicContact CG-CG2 3.48Å; F482-I514 VanDerWaalsContact CG-CG2 3.48Å; F482-N515 WeakPolarHBondContact O-CB 3.4Å; F482-N515 PolarHBondContact O-OD1 3.16Å
483S74.3Confident65.6Low14 Ų1435.7 Ų35.710%0.09819%0.188CC..SBendtrans-110.9149.3178.168.70000112.4Q480 L481 S485 V486 A487 N515Q480-S483 WeakPolarHBondContact O-CB 3.23Å; Q480-S483 PolarHBondContact O-OG 3.12Å; L481-S483 PolarHBondContact O-N 3.22Å; L481-S483 VanDerWaalsContact O-N 3.16Å; S483-S485 PolarHBondContact O-N 3.37Å; S483-S485 PolarHBondContact OG-OG 2.87Å; S483-V486 PolarHBondContact O-N 3.35Å; S483-V486 WeakPolarHBondContact OG-CG2 3.39Å; S483-V486 PolarHBondContact OG-N 2.83Å; S483-A487 PolarHBondContact O-N 2.93Å; S483-A487 VanDerWaalsContact O-N 3.15Å; S483-N515 WeakPolarHBondContact CA-OD1 3.07Å
484E79.6Confident68Low65 Ų6534.2 Ų34.230%0.30418%0.18SC..Hα-helixtrans-57-31.7173.9-174.254.1-133.300112.7A487 S488 R512 N515E484-A487 PolarHBondContact O-N 2.84Å; E484-S488 VanDerWaalsContact O-CB 3.3Å; E484-S488 WeakPolarHBondContact O-CB 3.46Å; E484-S488 PolarHBondContact O-N 3.36Å; E484-S488 PolarHBondContact O-OG 3.15Å; E484-S488 PolarHBondContact OE1-OG 2.8Å; E484-R512 IonicContact OE1-CZ 3.56Å; E484-R512 VanDerWaalsContact OE1-CZ 3.27Å; E484-R512 IonicContact OE1-NE 3.31Å; E484-R512 PolarHBondContact OE1-NE 2.96Å; E484-R512 IonicContact OE1-NH2 3.64Å; E484-R512 PolarHBondContact OE1-NH2 3.19Å; E484-R512 WeakPolarHBondContact OE2-CG 3.5Å; E484-R512 IonicContact OE2-NE 3.31Å; E484-R512 PolarHBondContact OE2-NE 3.37Å; E484-N515 PolarHBondContact N-OD1 3.15Å
485S69.6Low70.2Confident57 Ų5731.2 Ų31.240%0.39918%0.178SC..Hα-helixtrans-64.5-39175.138.40000113.2S483 A489S483-S485 PolarHBondContact O-N 3.37Å; S483-S485 PolarHBondContact OG-OG 2.87Å; S485-A489 WeakPolarHBondContact O-CB 3.39Å; S485-A489 PolarHBondContact O-N 3.35Å
486V73.4Confident72.4Confident7 Ų733.7 Ų33.74%0.04219%0.189CC..Hα-helixtrans-71.5-40.7176.7172.90000110.4L444 L447 V472 Q480 S483 A489 L490 L511L444-V486 HydrophobicContact CD2-CG1 3.78Å; L447-V486 HydrophobicContact CD2-CG1 3.76Å; V472-V486 HydrophobicContact CG2-CG2 4.32Å; Q480-V486 WeakPolarHBondContact O-CG2 3.18Å; S483-V486 PolarHBondContact O-N 3.35Å; S483-V486 WeakPolarHBondContact OG-CG2 3.39Å; S483-V486 PolarHBondContact OG-N 2.83Å; V486-A489 PolarHBondContact O-N 2.89Å; V486-L490 WeakPolarHBondContact O-CG 3.48Å; V486-L490 PolarHBondContact O-N 3.02Å; V486-L511 HydrophobicContact CG1-CD1 3.73Å
487A83.1Confident74Confident0 Ų037.1 Ų37.10%021%0.208CC..Hα-helixtrans-61.5-44.5174.300000112.3S483 E484 A489 L490 E491 I508 L511 R512S483-A487 PolarHBondContact O-N 2.93Å; S483-A487 VanDerWaalsContact O-N 3.15Å; E484-A487 PolarHBondContact O-N 2.84Å; A487-A489 VanDerWaalsContact C-N 3.33Å; A487-A489 PolarHBondContact O-N 3.04Å; A487-L490 PolarHBondContact O-N 2.86Å; A487-E491 PolarHBondContact O-N 3.37Å; A487-I508 HydrophobicContact CB-CG2 4.47Å; A487-L511 HydrophobicContact CB-CB 4.27Å; A487-R512 HydrophobicContact CB-CG 3.62Å
488S77.6Confident75.1Confident44 Ų4439.9 Ų39.931%0.30822%0.222SC..Hα-helixtrans-65.1-33.8176.2-60.60000112.8E484 Y492E484-S488 VanDerWaalsContact O-CB 3.3Å; E484-S488 WeakPolarHBondContact O-CB 3.46Å; E484-S488 PolarHBondContact O-N 3.36Å; E484-S488 PolarHBondContact O-OG 3.15Å; E484-S488 PolarHBondContact OE1-OG 2.8Å; S488-Y492 PolarHBondContact O-N 3.14Å
489A77.6Confident76.3Confident7 Ų744.6 Ų44.66%0.05825%0.252CS..Hα-helixtrans-68.5-43.4174.900000111.8L447 L468 S485 V486 A487 E491 Y492 L493L447-A489 HydrophobicContact CD1-CB 4.49Å; L468-A489 HydrophobicContact CD1-CB 3.97Å; L468-A489 HydrophobicContact CD2-CB 3.35Å; L468-A489 HydrophobicContact CG-CB 4.34Å; S485-A489 WeakPolarHBondContact O-CB 3.39Å; S485-A489 PolarHBondContact O-N 3.35Å; V486-A489 PolarHBondContact O-N 2.89Å; A487-A489 VanDerWaalsContact C-N 3.33Å; A487-A489 PolarHBondContact O-N 3.04Å; A489-E491 VanDerWaalsContact C-N 3.33Å; A489-E491 PolarHBondContact O-N 3.1Å; A489-Y492 PolarHBondContact O-N 2.88Å; A489-Y492 VanDerWaalsContact O-N 3.16Å; A489-L493 WeakPolarHBondContact O-CG 3.37Å; A489-L493 PolarHBondContact O-N 3.43Å
490L82.8Confident77.4Confident0 Ų045.6 Ų45.60%026%0.256CS..Hα-helixtrans-62-38.9174.6-68.9175.7000112L444 L447 V486 A487 L493 L494 F501 T507 I508 L511L444-L490 HydrophobicContact CD2-CD1 4.49Å; L447-L490 HydrophobicContact CB-CD2 4.4Å; L447-L490 HydrophobicContact CD2-CD2 4.26Å; L447-L490 HydrophobicContact CD2-CG 4.46Å; V486-L490 WeakPolarHBondContact O-CG 3.48Å; V486-L490 PolarHBondContact O-N 3.02Å; A487-L490 PolarHBondContact O-N 2.86Å; L490-L493 PolarHBondContact O-N 2.95Å; L490-L494 WeakPolarHBondContact O-CB 3.24Å; L490-L494 PolarHBondContact O-N 3.46Å; L490-F501 HydrophobicContact CD2-CD1 3.59Å; L490-F501 HydrophobicContact CD2-CE1 3.47Å; L490-F501 VanDerWaalsContact CD2-CE1 3.47Å; L490-T507 HydrophobicContact CD1-CG2 3.8Å; L490-I508 HydrophobicContact CB-CD1 4.08Å; L490-I508 HydrophobicContact CB-CG1 3.65Å; L490-I508 HydrophobicContact CD1-CG1 4.4Å; L490-L511 HydrophobicContact CD1-CD1 3.67Å
491E85.6Confident78.3Confident81 Ų8144.5 Ų44.538%0.37925%0.251SS..Hα-helixtrans-62.1-40.7171.8-79.3-172.815300113A487 A489 L494 S495 I508 R512A487-E491 PolarHBondContact O-N 3.37Å; A489-E491 VanDerWaalsContact C-N 3.33Å; A489-E491 PolarHBondContact O-N 3.1Å; E491-L494 WeakPolarHBondContact O-CB 3.34Å; E491-L494 PolarHBondContact O-N 3.41Å; E491-S495 PolarHBondContact O-N 2.84Å; E491-I508 HydrophobicContact CB-CD1 4.41Å; E491-I508 HydrophobicContact CG-CD1 3.61Å; E491-I508 HydrophobicContact CG-CG1 4.15Å; E491-I508 HydrophobicContact CG-CG2 3.82Å; E491-R512 IonicContact OE1-CZ 2.76Å; E491-R512 IonicContact OE1-NH1 2.7Å; E491-R512 PolarHBondContact OE1-NH1 2.97Å; E491-R512 IonicContact OE1-NH2 3.42Å; E491-R512 IonicContact OE2-CZ 3.27Å; E491-R512 IonicContact OE2-NH1 2.66Å; E491-R512 PolarHBondContact OE2-NH1 3.46Å; E491-R512 IonicContact OE2-NH2 2.89Å; E491-R512 PolarHBondContact OE2-NH2 3Å
492Y81.1Confident78.9Confident85 Ų8548.2 Ų48.233%0.33327%0.268SS..Hα-helixtrans-66.4-42.4176.9-179-97.7000111.6P462 L465 S488 A489 L494 S495 L496P462-Y492 HydrophobicContact CG-CE1 4.26Å; P462-Y492 HydrophobicContact CG-CE2 4.45Å; L465-Y492 HydrophobicContact CD1-CD1 3.44Å; L465-Y492 VanDerWaalsContact CD1-CD1 3.44Å; L465-Y492 HydrophobicContact CD1-CE1 3.54Å; L465-Y492 HydrophobicContact CD1-CG 4.39Å; S488-Y492 PolarHBondContact O-N 3.14Å; A489-Y492 PolarHBondContact O-N 2.88Å; A489-Y492 VanDerWaalsContact O-N 3.16Å; Y492-L494 VanDerWaalsContact C-N 3.32Å; Y492-L494 PolarHBondContact O-N 3.16Å; Y492-S495 PolarHBondContact O-N 2.99Å; Y492-S495 VanDerWaalsContact O-N 3.13Å; Y492-S495 PolarHBondContact O-OG 3.1Å; Y492-L496 HydrophobicContact CD1-CD1 4.03Å; Y492-L496 HydrophobicContact CE1-CD1 3.48Å; Y492-L496 VanDerWaalsContact CE1-CD1 3.48Å; Y492-L496 HydrophobicContact CE1-CG 4.17Å; Y492-L496 PolarHBondContact O-N 2.64Å
493L81.8Confident79.3Confident13 Ų1354.3 Ų54.37%0.06830%0.301CS..Hα-helixtrans-66.3-33.4175.3-63.7176.3000112.5L447 L450 A489 L490 L496 L498 F501L447-L493 HydrophobicContact CD1-CD1 3.52Å; L450-L493 HydrophobicContact CD1-CD1 4.28Å; L450-L493 HydrophobicContact CD1-CD2 4.39Å; A489-L493 WeakPolarHBondContact O-CG 3.37Å; A489-L493 PolarHBondContact O-N 3.43Å; L490-L493 PolarHBondContact O-N 2.95Å; L493-L496 HydrophobicContact CD2-CD1 4.49Å; L493-L496 PolarHBondContact O-N 2.99Å; L493-L498 HydrophobicContact CB-CD1 4.47Å; L493-L498 HydrophobicContact CD2-CD1 3.78Å; L493-F501 HydrophobicContact CB-CB 4.25Å; L493-F501 HydrophobicContact CB-CD1 4.36Å; L493-F501 HydrophobicContact CB-CD2 4.09Å; L493-F501 HydrophobicContact CB-CG 3.94Å; L493-F501 HydrophobicContact CD1-CD1 4.2Å; L493-F501 HydrophobicContact CD1-CD2 4.16Å; L493-F501 HydrophobicContact CD1-CE1 3.93Å; L493-F501 HydrophobicContact CD1-CE2 3.93Å; L493-F501 HydrophobicContact CD1-CG 4.3Å; L493-F501 HydrophobicContact CD1-CZ 3.8Å
494L85.3Confident79.9Confident40 Ų4053.7 Ų53.721%0.20930%0.296CS..Hα-helixtrans-62.5-42.1169.7-179.465.5000111.1L490 E491 Y492 L496 D497 F501 I505 I508L490-L494 WeakPolarHBondContact O-CB 3.24Å; L490-L494 PolarHBondContact O-N 3.46Å; E491-L494 WeakPolarHBondContact O-CB 3.34Å; E491-L494 PolarHBondContact O-N 3.41Å; Y492-L494 VanDerWaalsContact C-N 3.32Å; Y492-L494 PolarHBondContact O-N 3.16Å; L494-L496 PolarHBondContact O-N 3.11Å; L494-D497 PolarHBondContact O-N 2.91Å; L494-F501 WeakPolarHBondContact CD1-O 3.35Å; L494-I505 HydrophobicContact CD2-CD1 4.18Å; L494-I505 HydrophobicContact CD2-CG1 3.59Å; L494-I508 HydrophobicContact CD2-CD1 4.37Å
495S83.9Confident80.4Confident82 Ų8254.9 Ų54.957%0.57330%0.303SS*.THydrogen-bonded Turntrans-69-7.3175.675.40000114.9E491 Y492E491-S495 PolarHBondContact O-N 2.84Å; Y492-S495 PolarHBondContact O-N 2.99Å; Y492-S495 VanDerWaalsContact O-N 3.13Å; Y492-S495 PolarHBondContact O-OG 3.1Å
496L81.2Confident81.4Confident85 Ų8552.4 Ų52.445%0.44529%0.287SS..THydrogen-bonded Turntrans-100.45.9171.8-65.9178.2000112.8Y492 L493 L494 L498Y492-L496 HydrophobicContact CD1-CD1 4.03Å; Y492-L496 HydrophobicContact CE1-CD1 3.48Å; Y492-L496 VanDerWaalsContact CE1-CD1 3.48Å; Y492-L496 HydrophobicContact CE1-CG 4.17Å; Y492-L496 PolarHBondContact O-N 2.64Å; L493-L496 HydrophobicContact CD2-CD1 4.49Å; L493-L496 PolarHBondContact O-N 2.99Å; L494-L496 PolarHBondContact O-N 3.11Å; L496-L498 HydrophobicContact CB-CD1 4.5Å; L496-L498 HydrophobicContact CB-CG 4.17Å; L496-L498 PolarHBondContact O-N 3.14Å
497D77.8Confident82.2Confident118 Ų11852 Ų5263%0.63129%0.285SS*.THydrogen-bonded Turntrans53.122.5178.4-71.2-45.3000115.7L494 Q502L494-D497 PolarHBondContact O-N 2.91Å; D497-Q502 PolarHBondContact O-NE2 3.01Å
498L77.5Confident82.6Confident58 Ų5852.3 Ų52.330%0.30429%0.286SS..  trans-61.2128.7-177.4-71.1175.1000111.2L450 L493 L496 P500 F501 Q502L450-L498 HydrophobicContact CD1-CD1 4.06Å; L493-L498 HydrophobicContact CB-CD1 4.47Å; L493-L498 HydrophobicContact CD2-CD1 3.78Å; L496-L498 HydrophobicContact CB-CD1 4.5Å; L496-L498 HydrophobicContact CB-CG 4.17Å; L496-L498 PolarHBondContact O-N 3.14Å; L498-P500 VanDerWaalsContact O-N 3.16Å; L498-F501 HydrophobicContact CB-CD2 4.03Å; L498-F501 HydrophobicContact CD1-CD2 4.49Å; L498-F501 PolarHBondContact O-N 3.36Å; L498-Q502 PolarHBondContact O-N 3.19Å
499P76.4Confident83.3Confident101 Ų10154 Ų5466%0.65629%0.289SS*.G310 helixtrans-47.6-45.4-173.6-28.233.2000116.5F501P499-F501 PolarHBondContact O-N 3.38Å
500P76.2Confident84Confident50 Ų5053.7 Ų53.733%0.32529%0.287SS..G310 helixtrans-64.3-19.9177.117.4-27.7000115.3H443 E446 L498H443-P500 PolarHBondContact CD2-O 2.92Å; E446-P500 HydrophobicContact CB-CB 4.31Å; E446-P500 HydrophobicContact CG-CB 4.29Å; E446-P500 VanDerWaalsContact OE2-CB 3.31Å; E446-P500 WeakPolarHBondContact OE2-CB 3.13Å; L498-P500 VanDerWaalsContact O-N 3.16Å
501F82.1Confident84.3Confident0 Ų053.7 Ų53.70%029%0.287CS..G310 helixtrans-106.9-4.3-170.8-63.3-78.7000115H443 E446 L447 L450 L490 L493 L494 L498 P499 N503 C504H443-F501 WeakPolarHBondContact O-CE1 3.24Å; E446-F501 HydrophobicContact CB-CE1 4.46Å; E446-F501 HydrophobicContact CB-CE2 4.46Å; E446-F501 HydrophobicContact CB-CZ 3.84Å; L447-F501 HydrophobicContact CB-CE1 4.33Å; L447-F501 HydrophobicContact CB-CZ 4.38Å; L450-F501 HydrophobicContact CD1-CD2 4.34Å; L450-F501 HydrophobicContact CD1-CE2 3.44Å; L450-F501 VanDerWaalsContact CD1-CE2 3.44Å; L450-F501 HydrophobicContact CD1-CZ 4.05Å; L450-F501 HydrophobicContact CG-CE2 4.27Å; L490-F501 HydrophobicContact CD2-CD1 3.59Å; L490-F501 HydrophobicContact CD2-CE1 3.47Å; L490-F501 VanDerWaalsContact CD2-CE1 3.47Å; L493-F501 HydrophobicContact CB-CB 4.25Å; L493-F501 HydrophobicContact CB-CD1 4.36Å; L493-F501 HydrophobicContact CB-CD2 4.09Å; L493-F501 HydrophobicContact CB-CG 3.94Å; L493-F501 HydrophobicContact CD1-CD1 4.2Å; L493-F501 HydrophobicContact CD1-CD2 4.16Å; L493-F501 HydrophobicContact CD1-CE1 3.93Å; L493-F501 HydrophobicContact CD1-CE2 3.93Å; L493-F501 HydrophobicContact CD1-CG 4.3Å; L493-F501 HydrophobicContact CD1-CZ 3.8Å; L494-F501 WeakPolarHBondContact CD1-O 3.35Å; L498-F501 HydrophobicContact CB-CD2 4.03Å; L498-F501 HydrophobicContact CD1-CD2 4.49Å; L498-F501 PolarHBondContact O-N 3.36Å; P499-F501 PolarHBondContact O-N 3.38Å; F501-N503 PolarHBondContact O-N 2.96Å; F501-C504 HydrophobicContact CD1-CB 4.49Å; F501-C504 VanDerWaalsContact O-CB 3.29Å; F501-C504 WeakPolarHBondContact O-CB 3.28Å; F501-C504 PolarHBondContact O-N 2.82Å; F501-C504 PolarHBondContact O-SG 3.02Å
502Q75.9Confident84.6Confident103 Ų10352.4 Ų52.448%0.48128%0.278SS..THydrogen-bonded Turntrans-57.3-25.6-174-66.5179.2-7.200114.1D497 L498D497-Q502 PolarHBondContact O-NE2 3.01Å; L498-Q502 PolarHBondContact O-N 3.19Å
503N82.9Confident85.2Confident131 Ų13148.5 Ų48.570%0.70126%0.263SS*.THydrogen-bonded Turntrans-108.921178.4-69.7-51.3000114.1H443 F501 I505H443-N503 PolarHBondContact CE1-O 2.67Å; F501-N503 PolarHBondContact O-N 2.96Å; N503-I505 VanDerWaalsContact C-N 3.35Å; N503-I505 PolarHBondContact O-N 3.41Å
504C87.4Confident85.7Confident0 Ų047.9 Ų47.90%026%0.26CS..THydrogen-bonded Turntrans-80.6-4-171.579.20000116.2F501 G506 T507 I508F501-C504 HydrophobicContact CD1-CB 4.49Å; F501-C504 VanDerWaalsContact O-CB 3.29Å; F501-C504 WeakPolarHBondContact O-CB 3.28Å; F501-C504 PolarHBondContact O-N 2.82Å; F501-C504 PolarHBondContact O-SG 3.02Å; C504-G506 VanDerWaalsContact C-N 3.31Å; C504-G506 PolarHBondContact O-N 3.11Å; C504-T507 WeakPolarHBondContact O-CA 3.46Å; C504-T507 WeakPolarHBondContact O-CB 3.47Å; C504-T507 PolarHBondContact O-N 2.85Å; C504-I508 PolarHBondContact O-N 3.31Å; C504-I508 WeakPolarHBondContact SG-CD1 3.47Å
505I89.9Confident85.9Confident90 Ų9046.7 Ų46.746%0.46225%0.254SS..Hα-helixtrans-52-44.9-177.9-62.5172.9000112.4L494 N503 T507 I508 H509L494-I505 HydrophobicContact CD2-CD1 4.18Å; L494-I505 HydrophobicContact CD2-CG1 3.59Å; N503-I505 VanDerWaalsContact C-N 3.35Å; N503-I505 PolarHBondContact O-N 3.41Å; I505-T507 PolarHBondContact O-N 2.93Å; I505-I508 PolarHBondContact O-N 2.86Å; I505-H509 PolarHBondContact O-CD2 2.96Å; I505-H509 VanDerWaalsContact O-CD2 3.27Å; I505-H509 PolarHBondContact O-N 2.76Å
506G90.1Very high86.3Confident5 Ų544.9 Ų44.95%0.05224%0.237CC..Hα-helixtrans-64.9-37.5176.900000113F434 I438 C504 F510F434-G506 WeakPolarHBondContact CZ-O 3.48Å; I438-G506 CarbonylContact O-C 3.55Å; I438-G506 WeakPolarHBondContact O-CA 3.36Å; C504-G506 VanDerWaalsContact C-N 3.31Å; C504-G506 PolarHBondContact O-N 3.11Å; G506-F510 WeakPolarHBondContact O-CB 3.25Å; G506-F510 PolarHBondContact O-N 2.94Å; G506-F510 VanDerWaalsContact O-N 3.12Å
507T90.7Very high86.8Confident0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-63.4-46.4171.8-62.50000110.7H440 H443 L490 C504 I505 H509 F510 L511H440-T507 PolarHBondContact N-OG1 3.38Å; H440-T507 PolarHBondContact O-OG1 3.4Å; H440-T507 VanDerWaalsContact O-OG1 3.09Å; H443-T507 HydrophobicContact CB-CG2 4.48Å; H443-T507 PolarHBondContact ND1-OG1 3.15Å; L490-T507 HydrophobicContact CD1-CG2 3.8Å; C504-T507 WeakPolarHBondContact O-CA 3.46Å; C504-T507 WeakPolarHBondContact O-CB 3.47Å; C504-T507 PolarHBondContact O-N 2.85Å; I505-T507 PolarHBondContact O-N 2.93Å; T507-H509 PolarHBondContact O-N 3.15Å; T507-F510 PolarHBondContact O-N 3.43Å; T507-L511 HydrophobicContact CG2-CD1 3.99Å; T507-L511 HydrophobicContact CG2-CG 4.03Å; T507-L511 VanDerWaalsContact O-CG 3.3Å; T507-L511 WeakPolarHBondContact O-CG 3.39Å; T507-L511 PolarHBondContact O-N 3.45Å
508I90.4Very high87.4Confident5 Ų536.3 Ų36.33%0.02619%0.191CC..Hα-helixtrans-55.2-51.7179-68.9155000111.3A487 L490 E491 L494 C504 I505 F510 L511 R512A487-I508 HydrophobicContact CB-CG2 4.47Å; L490-I508 HydrophobicContact CB-CD1 4.08Å; L490-I508 HydrophobicContact CB-CG1 3.65Å; L490-I508 HydrophobicContact CD1-CG1 4.4Å; E491-I508 HydrophobicContact CB-CD1 4.41Å; E491-I508 HydrophobicContact CG-CD1 3.61Å; E491-I508 HydrophobicContact CG-CG1 4.15Å; E491-I508 HydrophobicContact CG-CG2 3.82Å; L494-I508 HydrophobicContact CD2-CD1 4.37Å; C504-I508 PolarHBondContact O-N 3.31Å; C504-I508 WeakPolarHBondContact SG-CD1 3.47Å; I505-I508 PolarHBondContact O-N 2.86Å; I508-F510 VanDerWaalsContact C-N 3.34Å; I508-F510 PolarHBondContact O-N 2.92Å; I508-L511 PolarHBondContact O-N 2.78Å; I508-R512 PolarHBondContact O-N 3.3Å
509H91.9Very high87.9Confident81 Ų8134.6 Ų34.638%0.37518%0.182SC..Hα-helixtrans-60.3-42.9178.5-75.5-61.2000112.4F434 I505 T507 R512 L513F434-H509 HydrophobicContact CE2-CB 4.46Å; F434-H509 HydrophobicContact CZ-CB 4.33Å; I505-H509 PolarHBondContact O-CD2 2.96Å; I505-H509 VanDerWaalsContact O-CD2 3.27Å; I505-H509 PolarHBondContact O-N 2.76Å; T507-H509 PolarHBondContact O-N 3.15Å; H509-R512 PolarHBondContact O-N 2.79Å; H509-L513 WeakPolarHBondContact O-CB 3.44Å; H509-L513 PolarHBondContact O-N 3.44Å
510F92.2Very high88.6Confident0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-63.2-47.2177.7-177-109000112.1I422 F426 I432 F434 A439 F482 G506 T507 I508 R512 L513 I514 F574I422-F510 HydrophobicContact CG2-CZ 4.07Å; F426-F510 HydrophobicContact CD1-CD1 4.32Å; F426-F510 AromaticContact CD1-CE1 3.82Å; F426-F510 HydrophobicContact CD1-CE1 3.82Å; F426-F510 HydrophobicContact CE1-CD1 4.1Å; F426-F510 HydrophobicContact CE1-CE1 4.08Å; F426-F510 HydrophobicContact CG-CE1 4.08Å; F426-F510 HydrophobicContact CZ-CD1 4.39Å; I432-F510 HydrophobicContact CD1-CZ 4.13Å; F434-F510 HydrophobicContact CE1-CB 4.1Å; F434-F510 HydrophobicContact CZ-CB 3.94Å; A439-F510 HydrophobicContact CB-CB 3.7Å; A439-F510 HydrophobicContact CB-CD1 4Å; A439-F510 HydrophobicContact CB-CG 3.91Å; F482-F510 HydrophobicContact CE1-CD1 4.29Å; F482-F510 AromaticContact CE1-CE1 3.8Å; F482-F510 HydrophobicContact CE1-CE1 3.8Å; F482-F510 HydrophobicContact CZ-CE1 4.38Å; G506-F510 WeakPolarHBondContact O-CB 3.25Å; G506-F510 PolarHBondContact O-N 2.94Å; G506-F510 VanDerWaalsContact O-N 3.12Å; T507-F510 PolarHBondContact O-N 3.43Å; I508-F510 VanDerWaalsContact C-N 3.34Å; I508-F510 PolarHBondContact O-N 2.92Å; F510-R512 VanDerWaalsContact C-N 3.35Å; F510-R512 PolarHBondContact O-N 2.97Å; F510-L513 PolarHBondContact O-N 3.19Å; F510-I514 HydrophobicContact CD2-CG1 4.46Å; F510-I514 HydrophobicContact CE1-CG1 4.32Å; F510-I514 HydrophobicContact CE2-CD1 4.26Å; F510-I514 HydrophobicContact CE2-CG1 4.15Å; F510-I514 HydrophobicContact CZ-CD1 4.38Å; F510-I514 HydrophobicContact CZ-CG1 4.07Å; F510-I514 WeakPolarHBondContact O-CG1 3.41Å; F510-I514 PolarHBondContact O-N 2.96Å; F510-I514 VanDerWaalsContact O-N 3.11Å; F510-F574 HydrophobicContact CE2-CE1 4.42Å; F510-F574 HydrophobicContact CZ-CE1 4.36Å
511L90.3Very high89.3Confident0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-59.8-44.6178.4-65.3-178.3000111.7L444 L481 F482 V486 A487 L490 T507 I508 I514 N515L444-L511 HydrophobicContact CD1-CD2 4.43Å; L444-L511 HydrophobicContact CD2-CD1 4Å; L444-L511 HydrophobicContact CD2-CD2 4.46Å; L481-L511 HydrophobicContact CD2-CD2 4.14Å; F482-L511 HydrophobicContact CD1-CD2 3.48Å; F482-L511 VanDerWaalsContact CD1-CD2 3.48Å; F482-L511 HydrophobicContact CE1-CD2 3.83Å; V486-L511 HydrophobicContact CG1-CD1 3.73Å; A487-L511 HydrophobicContact CB-CB 4.27Å; L490-L511 HydrophobicContact CD1-CD1 3.67Å; T507-L511 HydrophobicContact CG2-CD1 3.99Å; T507-L511 HydrophobicContact CG2-CG 4.03Å; T507-L511 VanDerWaalsContact O-CG 3.3Å; T507-L511 WeakPolarHBondContact O-CG 3.39Å; T507-L511 PolarHBondContact O-N 3.45Å; I508-L511 PolarHBondContact O-N 2.78Å; L511-I514 PolarHBondContact O-N 3.12Å; L511-N515 WeakPolarHBondContact O-CB 3.5Å; L511-N515 PolarHBondContact O-N 3.4Å
512R92.2Very high89.5Confident53 Ų5329.1 Ų29.120%0.214%0.144CC..Hα-helixtrans-63.7-44.4177.7-75.8-163.9168.2126.23.9113.1E484 A487 E491 I508 H509 F510 I514 N515 N516E484-R512 IonicContact OE1-CZ 3.56Å; E484-R512 VanDerWaalsContact OE1-CZ 3.27Å; E484-R512 IonicContact OE1-NE 3.31Å; E484-R512 PolarHBondContact OE1-NE 2.96Å; E484-R512 IonicContact OE1-NH2 3.64Å; E484-R512 PolarHBondContact OE1-NH2 3.19Å; E484-R512 WeakPolarHBondContact OE2-CG 3.5Å; E484-R512 IonicContact OE2-NE 3.31Å; E484-R512 PolarHBondContact OE2-NE 3.37Å; A487-R512 HydrophobicContact CB-CG 3.62Å; E491-R512 IonicContact OE1-CZ 2.76Å; E491-R512 IonicContact OE1-NH1 2.7Å; E491-R512 PolarHBondContact OE1-NH1 2.97Å; E491-R512 IonicContact OE1-NH2 3.42Å; E491-R512 IonicContact OE2-CZ 3.27Å; E491-R512 IonicContact OE2-NH1 2.66Å; E491-R512 PolarHBondContact OE2-NH1 3.46Å; E491-R512 IonicContact OE2-NH2 2.89Å; E491-R512 PolarHBondContact OE2-NH2 3Å; I508-R512 PolarHBondContact O-N 3.3Å; H509-R512 PolarHBondContact O-N 2.79Å; F510-R512 VanDerWaalsContact C-N 3.35Å; F510-R512 PolarHBondContact O-N 2.97Å; R512-I514 VanDerWaalsContact C-N 3.3Å; R512-I514 PolarHBondContact O-N 3.22Å; R512-N515 PolarHBondContact O-N 3.42Å; R512-N516 VanDerWaalsContact O-CB 3.23Å; R512-N516 WeakPolarHBondContact O-CB 2.92Å; R512-N516 PolarHBondContact O-N 2.82Å; R512-N516 PolarHBondContact O-ND2 3.02Å
513L93.4Very high89.8Confident3 Ų324.3 Ų24.32%0.01612%0.122CC..Hα-helixtrans-56.9-47176.9-18070.2000110.8H509 F510 N516 L517 E549 A550 I553 F554H509-L513 WeakPolarHBondContact O-CB 3.44Å; H509-L513 PolarHBondContact O-N 3.44Å; F510-L513 PolarHBondContact O-N 3.19Å; L513-N516 PolarHBondContact O-N 2.8Å; L513-L517 HydrophobicContact CG-CD1 4.25Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 WeakPolarHBondContact O-CG 3.43Å; L513-L517 PolarHBondContact O-N 2.81Å; L513-E549 HydrophobicContact CD1-CB 4.43Å; L513-E549 HydrophobicContact CD1-CG 3.94Å; L513-A550 HydrophobicContact CD1-CB 4.24Å; L513-I553 HydrophobicContact CD1-CD1 4.48Å; L513-I553 HydrophobicContact CD2-CB 4Å; L513-I553 HydrophobicContact CD2-CD1 3.66Å; L513-I553 HydrophobicContact CD2-CG1 4.42Å; L513-I553 HydrophobicContact CD2-CG2 3.77Å; L513-F554 HydrophobicContact CD2-CE1 3.97Å
514I91.6Very high89.5Confident0 Ų019.8 Ų19.80%010%0.095CC..Hα-helixtrans-68.1-39.9179.3-59.7-56.1000111.7L419 I422 F482 F510 L511 R512 L517 F518 F554L419-I514 HydrophobicContact CD1-CG2 3.22Å; I422-I514 HydrophobicContact CD1-CD1 3.95Å; I422-I514 HydrophobicContact CG2-CD1 4.23Å; I422-I514 HydrophobicContact CG2-CG1 4.45Å; F482-I514 HydrophobicContact CB-CB 4.18Å; F482-I514 HydrophobicContact CB-CG2 3.71Å; F482-I514 HydrophobicContact CD1-CB 3.92Å; F482-I514 HydrophobicContact CD1-CG1 4.32Å; F482-I514 HydrophobicContact CD1-CG2 3.81Å; F482-I514 HydrophobicContact CD2-CG2 3.73Å; F482-I514 HydrophobicContact CE1-CG1 4.45Å; F482-I514 HydrophobicContact CE1-CG2 4.36Å; F482-I514 HydrophobicContact CE2-CG2 4.26Å; F482-I514 HydrophobicContact CG-CB 4.05Å; F482-I514 HydrophobicContact CG-CG2 3.48Å; F482-I514 VanDerWaalsContact CG-CG2 3.48Å; F510-I514 HydrophobicContact CD2-CG1 4.46Å; F510-I514 HydrophobicContact CE1-CG1 4.32Å; F510-I514 HydrophobicContact CE2-CD1 4.26Å; F510-I514 HydrophobicContact CE2-CG1 4.15Å; F510-I514 HydrophobicContact CZ-CD1 4.38Å; F510-I514 HydrophobicContact CZ-CG1 4.07Å; F510-I514 WeakPolarHBondContact O-CG1 3.41Å; F510-I514 PolarHBondContact O-N 2.96Å; F510-I514 VanDerWaalsContact O-N 3.11Å; L511-I514 PolarHBondContact O-N 3.12Å; R512-I514 VanDerWaalsContact C-N 3.3Å; R512-I514 PolarHBondContact O-N 3.22Å; I514-L517 HydrophobicContact CD1-CD1 4.38Å; I514-F518 WeakPolarHBondContact O-CB 3.42Å; I514-F518 PolarHBondContact O-N 2.81Å; I514-F554 HydrophobicContact CD1-CE1 3.77Å; I514-F554 HydrophobicContact CD1-CZ 3.57Å
515N90.3Very high88.6Confident16 Ų1620.6 Ų20.69%0.08610%0.099CC..Hα-helixtrans-57.1-53.1171.9179.591.1000110.9F482 S483 E484 L511 R512 L517 F518 D519F482-N515 WeakPolarHBondContact O-CB 3.4Å; F482-N515 PolarHBondContact O-OD1 3.16Å; S483-N515 WeakPolarHBondContact CA-OD1 3.07Å; E484-N515 PolarHBondContact N-OD1 3.15Å; L511-N515 WeakPolarHBondContact O-CB 3.5Å; L511-N515 PolarHBondContact O-N 3.4Å; R512-N515 PolarHBondContact O-N 3.42Å; N515-L517 VanDerWaalsContact C-N 3.34Å; N515-L517 PolarHBondContact O-N 3.23Å; N515-F518 PolarHBondContact O-N 2.8Å; N515-F518 VanDerWaalsContact O-N 3.1Å; N515-D519 PolarHBondContact ND2-OD2 2.97Å; N515-D519 WeakPolarHBondContact O-CB 3.47Å; N515-D519 PolarHBondContact O-N 2.93Å
516N92Very high87.6Confident43 Ų4317.5 Ų17.523%0.239%0.086CC..Hα-helixtrans-61.4-41.4-176.2-72.4-16000111.8R512 L513 I520 L531 V546R512-N516 VanDerWaalsContact O-CB 3.23Å; R512-N516 WeakPolarHBondContact O-CB 2.92Å; R512-N516 PolarHBondContact O-N 2.82Å; R512-N516 PolarHBondContact O-ND2 3.02Å; L513-N516 PolarHBondContact O-N 2.8Å; N516-I520 WeakPolarHBondContact O-CD1 3.35Å; N516-I520 VanDerWaalsContact O-CG1 3.24Å; N516-I520 WeakPolarHBondContact O-CG1 3.3Å; N516-I520 PolarHBondContact O-N 3.11Å; N516-I520 VanDerWaalsContact O-N 3.14Å; N516-L531 HydrophobicContact CB-CD1 3.47Å; N516-L531 VanDerWaalsContact CB-CD1 3.47Å; N516-V546 HydrophobicContact CB-CG1 3.95Å
517L92.3Very high86.4Confident1 Ų125 Ų251%0.00511%0.113CC..Hα-helixtrans-61.6-46.9171.6-76.7167.7000112.4L513 I514 N515 D519 I520 F521 V546 L547 A550 F554L513-L517 HydrophobicContact CG-CD1 4.25Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 WeakPolarHBondContact O-CG 3.43Å; L513-L517 PolarHBondContact O-N 2.81Å; I514-L517 HydrophobicContact CD1-CD1 4.38Å; N515-L517 VanDerWaalsContact C-N 3.34Å; N515-L517 PolarHBondContact O-N 3.23Å; L517-D519 VanDerWaalsContact C-N 3.35Å; L517-D519 PolarHBondContact O-N 3.49Å; L517-I520 PolarHBondContact O-N 3.41Å; L517-F521 WeakPolarHBondContact O-CD2 3.47Å; L517-F521 PolarHBondContact O-N 3.1Å; L517-V546 HydrophobicContact CD2-CG1 4.25Å; L517-V546 HydrophobicContact CG-CG1 4.3Å; L517-L547 HydrophobicContact CD2-CD2 3.94Å; L517-A550 HydrophobicContact CD1-CB 3.61Å; L517-A550 HydrophobicContact CD2-CB 3.62Å; L517-A550 HydrophobicContact CG-CB 4.01Å; L517-F554 HydrophobicContact CD1-CE1 4.34Å; L517-F554 HydrophobicContact CD1-CE2 4.05Å; L517-F554 HydrophobicContact CD1-CZ 3.53Å
518F89.5Confident85.2Confident23 Ų2325.8 Ų25.810%0.10112%0.122CC..Hα-helixtrans-64.4-40.6-179.2-176.5-108.1000111.9L419 A479 I514 N515 I520 F521 N522L419-F518 HydrophobicContact CB-CD2 4.44Å; L419-F518 HydrophobicContact CD2-CB 4.46Å; L419-F518 HydrophobicContact CD2-CD1 4.23Å; L419-F518 HydrophobicContact CD2-CD2 3.75Å; L419-F518 HydrophobicContact CD2-CE1 4.45Å; L419-F518 HydrophobicContact CD2-CE2 4Å; L419-F518 HydrophobicContact CD2-CG 3.87Å; L419-F518 HydrophobicContact CD2-CZ 4.34Å; A479-F518 HydrophobicContact CB-CE1 4.08Å; A479-F518 HydrophobicContact CB-CZ 4.45Å; I514-F518 WeakPolarHBondContact O-CB 3.42Å; I514-F518 PolarHBondContact O-N 2.81Å; N515-F518 PolarHBondContact O-N 2.8Å; N515-F518 VanDerWaalsContact O-N 3.1Å; F518-I520 PolarHBondContact O-N 3.04Å; F518-F521 CarbonylContact O-C 3.55Å; F518-F521 PolarHBondContact O-N 3.13Å; F518-F521 VanDerWaalsContact O-N 3.15Å; F518-N522 HydrophobicContact CE1-CB 4.41Å; F518-N522 VanDerWaalsContact O-CB 3.3Å; F518-N522 WeakPolarHBondContact O-CB 3.41Å; F518-N522 PolarHBondContact O-N 3.49Å
519D87.9Confident84.2Confident22 Ų2231.9 Ų31.912%0.11815%0.148CC..Hα-helixtrans-61.9-40.8176.6-84.1-11.9000112.5N515 L517 F521 N522 S523 L531 K532N515-D519 PolarHBondContact ND2-OD2 2.97Å; N515-D519 WeakPolarHBondContact O-CB 3.47Å; N515-D519 PolarHBondContact O-N 2.93Å; L517-D519 VanDerWaalsContact C-N 3.35Å; L517-D519 PolarHBondContact O-N 3.49Å; D519-F521 VanDerWaalsContact C-N 3.26Å; D519-F521 PolarHBondContact O-N 3.38Å; D519-N522 CarbonylContact O-C 3.56Å; D519-N522 PolarHBondContact O-N 3.06Å; D519-S523 PolarHBondContact O-N 3.11Å; D519-L531 HydrophobicContact CB-CB 4.28Å; D519-K532 HydrophobicContact CB-CG 3.75Å; D519-K532 WeakPolarHBondContact OD1-CE 3.23Å; D519-K532 IonicContact OD1-NZ 2.73Å; D519-K532 WeakPolarHBondContact OD2-CE 3.31Å
520I91.9Very high83.7Confident3 Ų330.9 Ų30.92%0.01516%0.16CC..Hα-helixtrans-56.3-39.6173.3-71.1164.2000111.5N516 L517 F518 L531 I543 V546 L547 L584 T604N516-I520 WeakPolarHBondContact O-CD1 3.35Å; N516-I520 VanDerWaalsContact O-CG1 3.24Å; N516-I520 WeakPolarHBondContact O-CG1 3.3Å; N516-I520 PolarHBondContact O-N 3.11Å; N516-I520 VanDerWaalsContact O-N 3.14Å; L517-I520 PolarHBondContact O-N 3.41Å; F518-I520 PolarHBondContact O-N 3.04Å; I520-L531 HydrophobicContact CD1-CD2 4.25Å; I520-L531 HydrophobicContact CG1-CB 4.07Å; I520-L531 HydrophobicContact CG1-CD2 4.1Å; I520-L531 HydrophobicContact CG1-CG 4.46Å; I520-I543 HydrophobicContact CD1-CG2 4.18Å; I520-I543 HydrophobicContact CG1-CG1 4.33Å; I520-I543 HydrophobicContact CG1-CG2 4.34Å; I520-I543 HydrophobicContact CG2-CG2 3.81Å; I520-V546 HydrophobicContact CD1-CB 3.78Å; I520-V546 HydrophobicContact CD1-CG1 3.69Å; I520-V546 HydrophobicContact CD1-CG2 4.43Å; I520-L547 HydrophobicContact CD1-CD2 4.34Å; I520-L547 HydrophobicContact CG2-CD2 4.49Å; I520-L584 HydrophobicContact CG2-CD2 3.6Å; I520-T604 VanDerWaalsContact O-CB 3.31Å; I520-T604 WeakPolarHBondContact O-CB 3.41Å; I520-T604 VanDerWaalsContact O-CG2 3.29Å; I520-T604 WeakPolarHBondContact O-CG2 3.38Å; I520-T604 PolarHBondContact O-OG1 3.35Å
521F90.1Very high83.2Confident9 Ų932.4 Ų32.44%0.03917%0.168CC..THydrogen-bonded Turntrans-88.3-0.6179.1-67.6-69.5000114.5F412 S415 L517 F518 D519 L547 F577 N580 L584 T604F412-F521 HydrophobicContact CE1-CE1 4.1Å; S415-F521 WeakPolarHBondContact OG-CB 3.45Å; L517-F521 WeakPolarHBondContact O-CD2 3.47Å; L517-F521 PolarHBondContact O-N 3.1Å; F518-F521 CarbonylContact O-C 3.55Å; F518-F521 PolarHBondContact O-N 3.13Å; F518-F521 VanDerWaalsContact O-N 3.15Å; D519-F521 VanDerWaalsContact C-N 3.26Å; D519-F521 PolarHBondContact O-N 3.38Å; F521-L547 HydrophobicContact CE2-CD2 4.39Å; F521-L547 HydrophobicContact CZ-CD2 4.39Å; F521-F577 AromaticContact CD2-CD1 3.99Å; F521-F577 HydrophobicContact CD2-CD1 3.99Å; F521-F577 AromaticContact CD2-CE1 3.93Å; F521-F577 HydrophobicContact CD2-CE1 3.93Å; F521-F577 HydrophobicContact CE2-CD1 4.03Å; F521-F577 HydrophobicContact CE2-CE1 4.43Å; F521-N580 HydrophobicContact CD1-CB 4.36Å; F521-N580 HydrophobicContact CE1-CB 3.71Å; F521-N580 WeakPolarHBondContact CE1-O 3.3Å; F521-N580 HydrophobicContact CE2-CB 4.13Å; F521-N580 HydrophobicContact CZ-CB 3.59Å; F521-L584 HydrophobicContact CD1-CD2 4.44Å; F521-L584 HydrophobicContact CE1-CB 4.03Å; F521-L584 HydrophobicContact CE1-CD2 3.76Å; F521-L584 HydrophobicContact CE1-CG 4.42Å; F521-L584 HydrophobicContact CZ-CB 4.44Å; F521-L584 HydrophobicContact CZ-CD2 4.1Å; F521-T604 VanDerWaalsContact C-OG1 3.24Å; F521-T604 WeakPolarHBondContact CA-OG1 3.24Å; F521-T604 PolarHBondContact O-OG1 3.18Å
522N85.9Confident82.7Confident24 Ų2436.1 Ų36.113%0.12818%0.184CC..THydrogen-bonded Turntrans-117.527.1-179.5-16732000111.8F518 D519 R524F518-N522 HydrophobicContact CE1-CB 4.41Å; F518-N522 VanDerWaalsContact O-CB 3.3Å; F518-N522 WeakPolarHBondContact O-CB 3.41Å; F518-N522 PolarHBondContact O-N 3.49Å; D519-N522 CarbonylContact O-C 3.56Å; D519-N522 PolarHBondContact O-N 3.06Å; N522-R524 PolarHBondContact O-N 2.94Å; N522-R524 VanDerWaalsContact OD1-CZ 3.3Å; N522-R524 PolarHBondContact OD1-NE 2.81Å; N522-R524 PolarHBondContact OD1-NH2 3.09Å
523S84.2Confident82Confident1 Ų133.8 Ų33.81%0.00718%0.177CC..  trans-68.4105.9175.1-179.50000110.5D519 K532 G533 T604 Y605D519-S523 PolarHBondContact O-N 3.11Å; S523-K532 WeakPolarHBondContact CA-O 3.43Å; S523-K532 VanDerWaalsContact CB-O 3.3Å; S523-K532 WeakPolarHBondContact CB-O 3.21Å; S523-K532 PolarHBondContact OG-O 3.15Å; S523-G533 WeakPolarHBondContact CB-O 3.46Å; S523-G533 VanDerWaalsContact OG-C 3.24Å; S523-G533 PolarHBondContact OG-O 3.14Å; S523-T604 VanDerWaalsContact CB-OG1 3.24Å; S523-T604 WeakPolarHBondContact CB-OG1 3.43Å; S523-T604 PolarHBondContact N-OG1 2.81Å; S523-T604 PolarHBondContact O-N 3.16Å; S523-Y605 WeakPolarHBondContact O-CB 3.46Å; S523-Y605 PolarHBondContact O-N 3.37Å; S523-Y605 VanDerWaalsContact O-N 3.08Å
524R75.9Confident81.6Confident37 Ų3734 Ų3414%0.1418%0.178CC..  trans-96.9-28.3-178.5-71.7164.2-171.4-152.8-9.1113.1N522 Y605 D610 V826N522-R524 PolarHBondContact O-N 2.94Å; N522-R524 VanDerWaalsContact OD1-CZ 3.3Å; N522-R524 PolarHBondContact OD1-NE 2.81Å; N522-R524 PolarHBondContact OD1-NH2 3.09Å; R524-Y605 HydrophobicContact CG-CD1 3.78Å; R524-Y605 HydrophobicContact CG-CD2 3.83Å; R524-Y605 HydrophobicContact CG-CE1 4.3Å; R524-Y605 HydrophobicContact CG-CE2 4.36Å; R524-Y605 HydrophobicContact CG-CG 3.53Å; R524-D610 IonicContact NH2-OD2 2.9Å; R524-D610 PolarHBondContact NH2-OD2 3.37Å; R524-V826 WeakPolarHBondContact O-CG2 3.47Å
525N68.1Low81.4Confident17 Ų1734.1 Ų34.19%0.09118%0.179CC..  trans-122.7130.6-166-162-19.3000113.2Y527 G528 P534 F822 V826N525-Y527 PolarHBondContact O-N 3.2Å; N525-Y527 PolarHBondContact OD1-N 2.88Å; N525-G528 PolarHBondContact O-N 3.09Å; N525-P534 WeakPolarHBondContact O-CD 3.48Å; N525-F822 WeakPolarHBondContact CB-O 3.13Å; N525-F822 WeakPolarHBondContact ND2-CA 3.35Å; N525-F822 PolarHBondContact ND2-O 3.31Å; N525-V826 VanDerWaalsContact CA-CG2 3.44Å; N525-V826 HydrophobicContact CB-CG2 4.07Å
526C68.8Low81.3Confident25 Ų2535.5 Ų35.517%0.16919%0.186CC..THydrogen-bonded Turntrans-66-19.4173.352.80000113P534 Y601C526-P534 WeakPolarHBondContact O-CG 3.38Å; C526-Y601 HydrophobicContact CB-CD2 4.35Å; C526-Y601 HydrophobicContact CB-CE1 4.19Å; C526-Y601 HydrophobicContact CB-CE2 3.99Å
527Y65.7Low81Confident161 Ų16137 Ų3763%0.63120%0.198SC*.THydrogen-bonded Turntrans-103.314.7169.5-53.2-71.8000112.9N525 F822N525-Y527 PolarHBondContact O-N 3.2Å; N525-Y527 PolarHBondContact OD1-N 2.88Å; Y527-F822 HydrophobicContact CG-CE1 4.44Å
528G65.8Low80.6Confident18 Ų1845.3 Ų45.319%0.18624%0.237CC..  trans-61.3143.6176.200000111.6N525 G533N525-G528 PolarHBondContact O-N 3.09Å; G528-G533 WeakPolarHBondContact O-CA 3.11Å
529K68.4Low80.4Confident132 Ų13245.6 Ų45.657%0.57424%0.24SC*.  trans-100.4152.4-178.9-64.5177.9-178.3172.40111.1
530G80.6Confident80.5Confident61 Ų6145.9 Ų45.963%0.62924%0.24SC*.G310 helixtrans63.2-142.4178.700000112.7K532 G533G530-K532 VanDerWaalsContact C-N 3.28Å; G530-K532 PolarHBondContact O-N 3.5Å; G530-G533 PolarHBondContact O-N 3.07Å; G530-G533 VanDerWaalsContact O-N 3.08Å
531L83.1Confident80.4Confident32 Ų3248.1 Ų48.117%0.16826%0.264CS..G310 helixtrans-72-17.5-177.9-65.8177.7000114.2N516 D519 I520 G533 I543 V546N516-L531 HydrophobicContact CB-CD1 3.47Å; N516-L531 VanDerWaalsContact CB-CD1 3.47Å; D519-L531 HydrophobicContact CB-CB 4.28Å; I520-L531 HydrophobicContact CD1-CD2 4.25Å; I520-L531 HydrophobicContact CG1-CB 4.07Å; I520-L531 HydrophobicContact CG1-CD2 4.1Å; I520-L531 HydrophobicContact CG1-CG 4.46Å; L531-G533 VanDerWaalsContact C-N 3.26Å; L531-I543 HydrophobicContact CD2-CG1 4.26Å; L531-V546 HydrophobicContact CD1-CG2 4.14Å; L531-V546 HydrophobicContact CD2-CG2 4.38Å
532K79.3Confident80.4Confident78 Ų7855.2 Ų55.234%0.33930%0.295SS..G310 helixtrans-78.8-8.6169.6-62.7177.9-177.6170.10112.9D519 S523 G530 D823D519-K532 HydrophobicContact CB-CG 3.75Å; D519-K532 WeakPolarHBondContact OD1-CE 3.23Å; D519-K532 IonicContact OD1-NZ 2.73Å; D519-K532 WeakPolarHBondContact OD2-CE 3.31Å; S523-K532 WeakPolarHBondContact CA-O 3.43Å; S523-K532 VanDerWaalsContact CB-O 3.3Å; S523-K532 WeakPolarHBondContact CB-O 3.21Å; S523-K532 PolarHBondContact OG-O 3.15Å; G530-K532 VanDerWaalsContact C-N 3.28Å; G530-K532 PolarHBondContact O-N 3.5Å; K532-D823 IonicContact NZ-OD1 3.23Å
533G78.5Confident80.7Confident4 Ų454.3 Ų54.34%0.04129%0.29CS..SBendtrans-64163174.500000112.6S523 G528 G530 L531S523-G533 WeakPolarHBondContact CB-O 3.46Å; S523-G533 VanDerWaalsContact OG-C 3.24Å; S523-G533 PolarHBondContact OG-O 3.14Å; G528-G533 WeakPolarHBondContact O-CA 3.11Å; G530-G533 PolarHBondContact O-N 3.07Å; G530-G533 VanDerWaalsContact O-N 3.08Å; L531-G533 VanDerWaalsContact C-N 3.26Å
534P84Confident81.2Confident7 Ų756.1 Ų56.15%0.04530%0.299CS..  trans-66.3155.9-179.630.8-37.2000111.8N525 C526 L536 T539 Y601 L603N525-P534 WeakPolarHBondContact O-CD 3.48Å; C526-P534 WeakPolarHBondContact O-CG 3.38Å; P534-L536 HydrophobicContact CB-CG 4.47Å; P534-L536 HydrophobicContact CG-CD1 3.78Å; P534-L536 HydrophobicContact CG-CG 4.01Å; P534-L536 PolarHBondContact O-N 3.3Å; P534-L536 VanDerWaalsContact O-N 3.1Å; P534-T539 PolarHBondContact O-OG1 3.48Å; P534-Y601 HydrophobicContact CB-CD2 4.35Å; P534-Y601 HydrophobicContact CB-CG 4.44Å; P534-L603 HydrophobicContact CB-CD2 3.95Å
535L87.8Confident82Confident2 Ų260.3 Ų60.31%0.0132%0.32CS..BIsolated β-bridgetrans-70.9105.8170.7-16874.3000109.2Y540 I543 L584 Y588 V592 L602L535-Y540 HydrophobicContact CD1-CD2 4Å; L535-I543 HydrophobicContact CD1-CD1 3.78Å; L535-I543 HydrophobicContact CD1-CG2 4.4Å; L535-L584 HydrophobicContact CD1-CD1 4.42Å; L535-L584 HydrophobicContact CD1-CG 4.46Å; L535-L584 HydrophobicContact CD2-CD1 3.69Å; L535-L584 HydrophobicContact CD2-CG 4.38Å; L535-Y588 HydrophobicContact CD2-CD2 4.36Å; L535-Y588 HydrophobicContact CG-CD2 4.2Å; L535-V592 HydrophobicContact CD2-CG2 4.34Å; L535-L602 HydrophobicContact CB-CB 4.11Å; L535-L602 WeakPolarHBondContact CB-O 3.16Å; L535-L602 HydrophobicContact CD2-CB 4.18Å; L535-L602 HydrophobicContact CD2-CD2 3.99Å; L535-L602 PolarHBondContact N-O 3.25Å; L535-L602 PolarHBondContact O-N 2.78Å; L535-L602 VanDerWaalsContact O-N 3.16Å
536L88.3Confident83.3Confident46 Ų4660 Ų6024%0.24132%0.319CS..  trans-126.8158.4178.6-70.8168.8000109.3P534 E538 T539 Y540 P600P534-L536 HydrophobicContact CB-CG 4.47Å; P534-L536 HydrophobicContact CG-CD1 3.78Å; P534-L536 HydrophobicContact CG-CG 4.01Å; P534-L536 PolarHBondContact O-N 3.3Å; P534-L536 VanDerWaalsContact O-N 3.1Å; L536-E538 PolarHBondContact O-N 2.73Å; L536-T539 PolarHBondContact O-N 2.93Å; L536-Y540 VanDerWaalsContact O-CB 3.31Å; L536-Y540 WeakPolarHBondContact O-CB 3.38Å; L536-Y540 PolarHBondContact O-N 2.88Å; L536-P600 WeakPolarHBondContact CD2-O 3.09Å
537P84.9Confident84.5Confident73 Ų7358.9 Ų58.947%0.47431%0.311SS..Hα-helixtrans-54.6-37.2173.3-26.235.8000113.7Y588 V592P537-Y588 WeakPolarHBondContact CA-OH 3.49Å; P537-V592 HydrophobicContact CG-CG1 4.26Å
538E84.6Confident85.8Confident177 Ų17755.2 Ų55.283%0.82730%0.302SS*.Hα-helixtrans-68-45.8177.5-61.4172-16600112.5L536L536-E538 PolarHBondContact O-N 2.73Å
539T85.1Confident87.1Confident28 Ų2857.1 Ų57.117%0.17231%0.306CS..Hα-helixtrans-74.4-27.5-180-380000112.1P534 L536 G541 K542 I543P534-T539 PolarHBondContact O-OG1 3.48Å; L536-T539 PolarHBondContact O-N 2.93Å; T539-G541 VanDerWaalsContact C-N 3.28Å; T539-G541 PolarHBondContact O-N 3.28Å; T539-K542 PolarHBondContact O-N 3.07Å; T539-K542 VanDerWaalsContact O-N 3.09Å; T539-I543 HydrophobicContact CG2-CD1 3.7Å; T539-I543 HydrophobicContact CG2-CG1 4.09Å; T539-I543 PolarHBondContact O-N 3.23Å; T539-I543 VanDerWaalsContact O-N 3.11Å
540Y89.1Confident88.2Confident29 Ų2950.9 Ų50.911%0.11428%0.279CS..Hα-helixtrans-58.4-35.9-171.8-178.6-101.8000113.3L535 L536 K542 I543 N544 Y588L535-Y540 HydrophobicContact CD1-CD2 4Å; L536-Y540 VanDerWaalsContact O-CB 3.31Å; L536-Y540 WeakPolarHBondContact O-CB 3.38Å; L536-Y540 PolarHBondContact O-N 2.88Å; Y540-K542 VanDerWaalsContact C-N 3.33Å; Y540-K542 PolarHBondContact O-N 3.02Å; Y540-I543 PolarHBondContact O-N 3.29Å; Y540-N544 HydrophobicContact CD1-CB 4.32Å; Y540-N544 HydrophobicContact CE1-CB 3.95Å; Y540-N544 HydrophobicContact CE2-CB 4.4Å; Y540-N544 WeakPolarHBondContact O-CB 3.43Å; Y540-N544 PolarHBondContact O-N 3.38Å; Y540-Y588 AromaticContact CD1-CD1 3.82Å; Y540-Y588 HydrophobicContact CD1-CD1 3.82Å; Y540-Y588 AromaticContact CD1-CE1 3.37Å; Y540-Y588 HydrophobicContact CD1-CE1 3.37Å; Y540-Y588 HydrophobicContact CD1-CE2 4.22Å; Y540-Y588 HydrophobicContact CD1-CG 4.39Å; Y540-Y588 AromaticContact CD1-CZ 3.6Å; Y540-Y588 AromaticContact CD2-CD1 3.64Å; Y540-Y588 HydrophobicContact CD2-CD1 3.64Å; Y540-Y588 AromaticContact CD2-CD2 3.54Å; Y540-Y588 HydrophobicContact CD2-CD2 3.54Å; Y540-Y588 AromaticContact CD2-CE1 3.95Å; Y540-Y588 HydrophobicContact CD2-CE1 3.95Å; Y540-Y588 AromaticContact CD2-CE2 3.87Å; Y540-Y588 HydrophobicContact CD2-CE2 3.87Å; Y540-Y588 AromaticContact CD2-CG 3.42Å; Y540-Y588 HydrophobicContact CD2-CG 3.42Å; Y540-Y588 VanDerWaalsContact CD2-CG 3.42Å; Y540-Y588 AromaticContact CE1-CD1 3.63Å; Y540-Y588 HydrophobicContact CE1-CD1 3.63Å; Y540-Y588 AromaticContact CE1-CE1 3.51Å; Y540-Y588 HydrophobicContact CE1-CE1 3.51Å; Y540-Y588 HydrophobicContact CE1-CG 4.42Å; Y540-Y588 AromaticContact CE2-CD1 3.43Å; Y540-Y588 HydrophobicContact CE2-CD1 3.43Å; Y540-Y588 VanDerWaalsContact CE2-CD1 3.43Å; Y540-Y588 HydrophobicContact CE2-CD2 4.08Å; Y540-Y588 HydrophobicContact CE2-CE1 4.06Å; Y540-Y588 AromaticContact CE2-CG 3.44Å; Y540-Y588 HydrophobicContact CE2-CG 3.44Å; Y540-Y588 VanDerWaalsContact CE2-CG 3.44Å; Y540-Y588 AromaticContact CG-CD1 3.81Å; Y540-Y588 HydrophobicContact CG-CD1 3.81Å; Y540-Y588 AromaticContact CG-CD2 3.82Å; Y540-Y588 HydrophobicContact CG-CD2 3.82Å; Y540-Y588 AromaticContact CG-CE1 3.6Å; Y540-Y588 HydrophobicContact CG-CE1 3.6Å; Y540-Y588 AromaticContact CG-CE2 3.61Å; Y540-Y588 HydrophobicContact CG-CE2 3.61Å; Y540-Y588 AromaticContact CG-CG 3.91Å; Y540-Y588 HydrophobicContact CG-CG 3.91Å; Y540-Y588 AromaticContact CG-CZ 3.49Å; Y540-Y588 VanDerWaalsContact CG-CZ 3.49Å; Y540-Y588 AromaticContact CZ-CD1 3.42Å; Y540-Y588 VanDerWaalsContact CZ-CD1 3.42Å; Y540-Y588 AromaticContact CZ-CE1 3.85Å; Y540-Y588 AromaticContact CZ-CG 3.96Å
541G89.6Confident88.7Confident50 Ų5051.6 Ų51.652%0.51527%0.265SS..Hα-helixtrans-57.7-44.6176.700000112.8T539 H545T539-G541 VanDerWaalsContact C-N 3.28Å; T539-G541 PolarHBondContact O-N 3.28Å; G541-H545 PolarHBondContact O-N 2.71Å; G541-H545 VanDerWaalsContact O-N 3.14Å
542K91.3Very high89.1Confident158 Ų15853.8 Ų53.869%0.68728%0.28SS*.Hα-helixtrans-70.2-42.7178-62.9-179.7-179.3177.90111.8T539 Y540 H545 V546T539-K542 PolarHBondContact O-N 3.07Å; T539-K542 VanDerWaalsContact O-N 3.09Å; Y540-K542 VanDerWaalsContact C-N 3.33Å; Y540-K542 PolarHBondContact O-N 3.02Å; K542-H545 WeakPolarHBondContact O-CB 3.29Å; K542-H545 PolarHBondContact O-N 3.17Å; K542-V546 PolarHBondContact O-N 3.38Å
543I92.4Very high89.7Confident4 Ų450.2 Ų50.22%0.02126%0.264CS..Hα-helixtrans-60.2-50.5176.2-69.8169.9000110I520 L531 L535 T539 Y540 H545 V546 L547 L584I520-I543 HydrophobicContact CD1-CG2 4.18Å; I520-I543 HydrophobicContact CG1-CG1 4.33Å; I520-I543 HydrophobicContact CG1-CG2 4.34Å; I520-I543 HydrophobicContact CG2-CG2 3.81Å; L531-I543 HydrophobicContact CD2-CG1 4.26Å; L535-I543 HydrophobicContact CD1-CD1 3.78Å; L535-I543 HydrophobicContact CD1-CG2 4.4Å; T539-I543 HydrophobicContact CG2-CD1 3.7Å; T539-I543 HydrophobicContact CG2-CG1 4.09Å; T539-I543 PolarHBondContact O-N 3.23Å; T539-I543 VanDerWaalsContact O-N 3.11Å; Y540-I543 PolarHBondContact O-N 3.29Å; I543-H545 VanDerWaalsContact C-N 3.29Å; I543-H545 PolarHBondContact O-N 2.89Å; I543-V546 PolarHBondContact O-N 2.94Å; I543-V546 VanDerWaalsContact O-N 3.14Å; I543-L547 HydrophobicContact CG2-CD1 4.09Å; I543-L547 HydrophobicContact CG2-CG 4.25Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 3.48Å; I543-L584 HydrophobicContact CG2-CD2 4.38Å
544N93.4Very high90.3Very high39 Ų3950.1 Ų50.121%0.20926%0.263CS..Hα-helixtrans-64.5-31.6-177.6-173.259.1000112.7Y540 L547 I548Y540-N544 HydrophobicContact CD1-CB 4.32Å; Y540-N544 HydrophobicContact CE1-CB 3.95Å; Y540-N544 HydrophobicContact CE2-CB 4.4Å; Y540-N544 WeakPolarHBondContact O-CB 3.43Å; Y540-N544 PolarHBondContact O-N 3.38Å; N544-L547 PolarHBondContact O-N 3.46Å; N544-I548 WeakPolarHBondContact ND2-CD1 3.21Å; N544-I548 WeakPolarHBondContact O-CB 3.37Å; N544-I548 VanDerWaalsContact O-CG1 3.26Å; N544-I548 WeakPolarHBondContact O-CG1 3.46Å; N544-I548 PolarHBondContact O-N 3.38Å
545H94Very high90.4Very high125 Ų12552.4 Ų52.458%0.57928%0.276SS*.Hα-helixtrans-57.2-53.5170-174.8-76.2000111.3G541 K542 I543 L547 I548 E549G541-H545 PolarHBondContact O-N 2.71Å; G541-H545 VanDerWaalsContact O-N 3.14Å; K542-H545 WeakPolarHBondContact O-CB 3.29Å; K542-H545 PolarHBondContact O-N 3.17Å; I543-H545 VanDerWaalsContact C-N 3.29Å; I543-H545 PolarHBondContact O-N 2.89Å; H545-L547 VanDerWaalsContact C-N 3.3Å; H545-L547 PolarHBondContact O-N 2.88Å; H545-I548 PolarHBondContact O-N 3.27Å; H545-I548 VanDerWaalsContact O-N 3.1Å; H545-E549 IonicContact CE1-OE2 3.86Å; H545-E549 IonicContact ND1-OE2 3.68Å; H545-E549 WeakPolarHBondContact O-CB 3.31Å; H545-E549 PolarHBondContact O-N 3.02Å
546V94.2Very high90.3Very high12 Ų1255 Ų557%0.07329%0.292CS..Hα-helixtrans-61.2-37.8177.8178.80000111.6N516 L517 I520 L531 K542 I543 I548 A550N516-V546 HydrophobicContact CB-CG1 3.95Å; L517-V546 HydrophobicContact CD2-CG1 4.25Å; L517-V546 HydrophobicContact CG-CG1 4.3Å; I520-V546 HydrophobicContact CD1-CB 3.78Å; I520-V546 HydrophobicContact CD1-CG1 3.69Å; I520-V546 HydrophobicContact CD1-CG2 4.43Å; L531-V546 HydrophobicContact CD1-CG2 4.14Å; L531-V546 HydrophobicContact CD2-CG2 4.38Å; K542-V546 PolarHBondContact O-N 3.38Å; I543-V546 PolarHBondContact O-N 2.94Å; I543-V546 VanDerWaalsContact O-N 3.14Å; V546-I548 VanDerWaalsContact C-N 3.33Å; V546-I548 PolarHBondContact O-N 3.44Å; V546-A550 VanDerWaalsContact O-CB 3.24Å; V546-A550 WeakPolarHBondContact O-CB 3.37Å; V546-A550 PolarHBondContact O-N 3.42Å
547L94.2Very high90.4Very high1 Ų152.8 Ų52.81%0.00528%0.281CS..Hα-helixtrans-67.8-30.4176-62.1-175.2000113.2L517 I520 F521 I543 N544 H545 K551 A581 L584 K585L517-L547 HydrophobicContact CD2-CD2 3.94Å; I520-L547 HydrophobicContact CD1-CD2 4.34Å; I520-L547 HydrophobicContact CG2-CD2 4.49Å; F521-L547 HydrophobicContact CE2-CD2 4.39Å; F521-L547 HydrophobicContact CZ-CD2 4.39Å; I543-L547 HydrophobicContact CG2-CD1 4.09Å; I543-L547 HydrophobicContact CG2-CG 4.25Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 3.48Å; N544-L547 PolarHBondContact O-N 3.46Å; H545-L547 VanDerWaalsContact C-N 3.3Å; H545-L547 PolarHBondContact O-N 2.88Å; L547-K551 PolarHBondContact O-N 3.45Å; L547-A581 HydrophobicContact CB-CB 4.29Å; L547-A581 HydrophobicContact CD1-CB 4.19Å; L547-A581 HydrophobicContact CD2-CB 3.79Å; L547-A581 HydrophobicContact CG-CB 4.29Å; L547-L584 HydrophobicContact CD1-CD2 4.35Å; L547-K585 HydrophobicContact CD1-CG 4.12Å
548I92.6Very high90.5Very high83 Ų8350.2 Ų50.243%0.42626%0.264SS..Hα-helixtrans-76.1-46.7174.9-71.5165.4000110.1N544 H545 V546 A550 K551 T552N544-I548 WeakPolarHBondContact ND2-CD1 3.21Å; N544-I548 WeakPolarHBondContact O-CB 3.37Å; N544-I548 VanDerWaalsContact O-CG1 3.26Å; N544-I548 WeakPolarHBondContact O-CG1 3.46Å; N544-I548 PolarHBondContact O-N 3.38Å; H545-I548 PolarHBondContact O-N 3.27Å; H545-I548 VanDerWaalsContact O-N 3.1Å; V546-I548 VanDerWaalsContact C-N 3.33Å; V546-I548 PolarHBondContact O-N 3.44Å; I548-A550 VanDerWaalsContact C-N 3.31Å; I548-A550 PolarHBondContact O-N 2.99Å; I548-K551 WeakPolarHBondContact O-CA 3.38Å; I548-K551 WeakPolarHBondContact O-CB 3.42Å; I548-K551 PolarHBondContact O-N 2.93Å; I548-T552 PolarHBondContact O-N 3.14Å; I548-T552 PolarHBondContact O-OG1 2.82Å
549E93.2Very high90.5Very high58 Ų5842.8 Ų42.827%0.27123%0.231SC..Hα-helixtrans-56.6-43.5175.3-176.5-175.6172.700111.8L513 H545 K551 T552 I553L513-E549 HydrophobicContact CD1-CB 4.43Å; L513-E549 HydrophobicContact CD1-CG 3.94Å; H545-E549 IonicContact CE1-OE2 3.86Å; H545-E549 IonicContact ND1-OE2 3.68Å; H545-E549 WeakPolarHBondContact O-CB 3.31Å; H545-E549 PolarHBondContact O-N 3.02Å; E549-K551 VanDerWaalsContact C-N 3.33Å; E549-K551 PolarHBondContact O-N 2.94Å; E549-T552 PolarHBondContact O-N 2.9Å; E549-T552 PolarHBondContact O-OG1 3.29Å; E549-I553 HydrophobicContact CG-CD1 3.95Å; E549-I553 WeakPolarHBondContact O-CB 3.18Å; E549-I553 WeakPolarHBondContact O-CG1 3.43Å; E549-I553 PolarHBondContact O-N 3.11Å
550A92.7Very high90.2Very high2 Ų245.6 Ų45.62%0.01725%0.248CC..Hα-helixtrans-62.4-38.6172.900000112.8L513 L517 V546 I548 F554L513-A550 HydrophobicContact CD1-CB 4.24Å; L517-A550 HydrophobicContact CD1-CB 3.61Å; L517-A550 HydrophobicContact CD2-CB 3.62Å; L517-A550 HydrophobicContact CG-CB 4.01Å; V546-A550 VanDerWaalsContact O-CB 3.24Å; V546-A550 WeakPolarHBondContact O-CB 3.37Å; V546-A550 PolarHBondContact O-N 3.42Å; I548-A550 VanDerWaalsContact C-N 3.31Å; I548-A550 PolarHBondContact O-N 2.99Å; A550-F554 WeakPolarHBondContact O-CB 3.45Å; A550-F554 WeakPolarHBondContact O-CD1 3.21Å; A550-F554 WeakPolarHBondContact O-CG 3.35Å; A550-F554 PolarHBondContact O-N 2.96Å
551K91.1Very high89.7Confident76 Ų7648.2 Ų48.233%0.3327%0.27SS..Hα-helixtrans-67.8-44.6177.9-170.6172.6-173.1168.60111.7L547 I548 E549 V555 L578 E582L547-K551 PolarHBondContact O-N 3.45Å; I548-K551 WeakPolarHBondContact O-CA 3.38Å; I548-K551 WeakPolarHBondContact O-CB 3.42Å; I548-K551 PolarHBondContact O-N 2.93Å; E549-K551 VanDerWaalsContact C-N 3.33Å; E549-K551 PolarHBondContact O-N 2.94Å; K551-V555 WeakPolarHBondContact O-CB 3.37Å; K551-V555 VanDerWaalsContact O-CG2 3.25Å; K551-V555 WeakPolarHBondContact O-CG2 3.42Å; K551-V555 PolarHBondContact O-N 3.3Å; K551-L578 HydrophobicContact CB-CD2 4.1Å; K551-L578 HydrophobicContact CG-CD2 4.38Å; K551-E582 IonicContact NZ-OE1 3.11Å; K551-E582 PolarHBondContact NZ-OE1 3.49Å
552T90.9Very high89.2Confident78 Ų7851.5 Ų51.548%0.47928%0.276SS..Hα-helixtrans-64.2-48.417752.80000110.8I548 E549 T556I548-T552 PolarHBondContact O-N 3.14Å; I548-T552 PolarHBondContact O-OG1 2.82Å; E549-T552 PolarHBondContact O-N 2.9Å; E549-T552 PolarHBondContact O-OG1 3.29Å; T552-T556 WeakPolarHBondContact O-CG2 3.31Å; T552-T556 PolarHBondContact O-N 2.75Å; T552-T556 PolarHBondContact O-OG1 2.8Å
553I90.9Very high88.9Confident3 Ų348.4 Ų48.42%0.01527%0.267CS..Hα-helixtrans-62.8-51.9179.5-70172.8000110.8F434 I435 L513 E549 V555 T556 L557F434-I553 HydrophobicContact CB-CG2 4.03Å; F434-I553 HydrophobicContact CD2-CD1 4.24Å; F434-I553 HydrophobicContact CD2-CG1 4.26Å; F434-I553 HydrophobicContact CD2-CG2 3.7Å; F434-I553 HydrophobicContact CE2-CD1 4.4Å; F434-I553 HydrophobicContact CE2-CG2 4.46Å; F434-I553 HydrophobicContact CG-CG2 4.11Å; I435-I553 HydrophobicContact CG2-CG1 4.21Å; L513-I553 HydrophobicContact CD1-CD1 4.48Å; L513-I553 HydrophobicContact CD2-CB 4Å; L513-I553 HydrophobicContact CD2-CD1 3.66Å; L513-I553 HydrophobicContact CD2-CG1 4.42Å; L513-I553 HydrophobicContact CD2-CG2 3.77Å; E549-I553 HydrophobicContact CG-CD1 3.95Å; E549-I553 WeakPolarHBondContact O-CB 3.18Å; E549-I553 WeakPolarHBondContact O-CG1 3.43Å; E549-I553 PolarHBondContact O-N 3.11Å; I553-V555 VanDerWaalsContact C-N 3.32Å; I553-V555 PolarHBondContact O-N 3.26Å; I553-T556 CarbonylContact O-C 3.55Å; I553-T556 WeakPolarHBondContact O-CA 3.32Å; I553-T556 PolarHBondContact O-N 3.01Å; I553-T556 PolarHBondContact O-OG1 2.93Å; I553-L557 HydrophobicContact CG2-CD2 4.1Å; I553-L557 WeakPolarHBondContact O-CG 3.36Å; I553-L557 PolarHBondContact O-N 3.1Å; I553-L557 VanDerWaalsContact O-N 3.14Å
554F91.1Very high88.5Confident1 Ų152 Ų520%0.00428%0.284CS..Hα-helixtrans-62.9-34.4-174.1-70.83.7000113.6I422 L513 I514 L517 A550 T556 L557 I566 F574 F577 L578I422-F554 HydrophobicContact CD1-CZ 4.27Å; L513-F554 HydrophobicContact CD2-CE1 3.97Å; I514-F554 HydrophobicContact CD1-CE1 3.77Å; I514-F554 HydrophobicContact CD1-CZ 3.57Å; L517-F554 HydrophobicContact CD1-CE1 4.34Å; L517-F554 HydrophobicContact CD1-CE2 4.05Å; L517-F554 HydrophobicContact CD1-CZ 3.53Å; A550-F554 WeakPolarHBondContact O-CB 3.45Å; A550-F554 WeakPolarHBondContact O-CD1 3.21Å; A550-F554 WeakPolarHBondContact O-CG 3.35Å; A550-F554 PolarHBondContact O-N 2.96Å; F554-T556 VanDerWaalsContact C-N 3.31Å; F554-L557 HydrophobicContact CB-CD1 4.24Å; F554-L557 HydrophobicContact CD1-CD1 3.83Å; F554-L557 HydrophobicContact CG-CD1 4.24Å; F554-L557 PolarHBondContact O-N 3.43Å; F554-I566 HydrophobicContact CB-CD1 4.23Å; F554-I566 WeakPolarHBondContact O-CD1 3.14Å; F554-I566 WeakPolarHBondContact O-CG1 3.49Å; F554-F574 AromaticContact CD1-CD1 3.96Å; F554-F574 HydrophobicContact CD1-CD1 3.96Å; F554-F574 HydrophobicContact CD2-CB 3.9Å; F554-F574 HydrophobicContact CD2-CD1 4.05Å; F554-F574 HydrophobicContact CD2-CG 4.5Å; F554-F574 AromaticContact CE1-CD1 3.95Å; F554-F574 HydrophobicContact CE1-CD1 3.95Å; F554-F574 HydrophobicContact CE1-CE1 4.4Å; F554-F574 HydrophobicContact CE2-CB 4.36Å; F554-F574 HydrophobicContact CE2-CD1 4.04Å; F554-F574 HydrophobicContact CG-CB 4.26Å; F554-F574 HydrophobicContact CG-CD1 4.03Å; F554-F574 AromaticContact CZ-CD1 3.99Å; F554-F574 HydrophobicContact CZ-CD1 3.99Å; F554-F577 HydrophobicContact CE2-CB 3.93Å; F554-L578 HydrophobicContact CB-CD1 4.13Å; F554-L578 HydrophobicContact CB-CD2 4.21Å; F554-L578 HydrophobicContact CB-CG 4.42Å; F554-L578 HydrophobicContact CD2-CD1 4.48Å; F554-L578 HydrophobicContact CD2-CD2 3.7Å; F554-L578 HydrophobicContact CD2-CG 3.92Å; F554-L578 HydrophobicContact CE2-CD2 4.5Å; F554-L578 HydrophobicContact CG-CD2 4.32Å
555V86.5Confident88.1Confident55 Ų5550.3 Ų50.333%0.33327%0.274SS..Hα-helixtrans-67.8-31.2174.3171.70000112K551 I553 I566K551-V555 WeakPolarHBondContact O-CB 3.37Å; K551-V555 VanDerWaalsContact O-CG2 3.25Å; K551-V555 WeakPolarHBondContact O-CG2 3.42Å; K551-V555 PolarHBondContact O-N 3.3Å; I553-V555 VanDerWaalsContact C-N 3.32Å; I553-V555 PolarHBondContact O-N 3.26Å; V555-I566 HydrophobicContact CG2-CD1 4.46Å
556T87.2Confident87.6Confident57 Ų5745.3 Ų45.335%0.3525%0.252SS..Hα-helixtrans-86-8.517861.90000115.3T552 I553 F554 S558T552-T556 WeakPolarHBondContact O-CG2 3.31Å; T552-T556 PolarHBondContact O-N 2.75Å; T552-T556 PolarHBondContact O-OG1 2.8Å; I553-T556 CarbonylContact O-C 3.55Å; I553-T556 WeakPolarHBondContact O-CA 3.32Å; I553-T556 PolarHBondContact O-N 3.01Å; I553-T556 PolarHBondContact O-OG1 2.93Å; F554-T556 VanDerWaalsContact C-N 3.31Å; T556-S558 PolarHBondContact O-N 3.44Å
557L88.9Confident87.1Confident0 Ų052.3 Ų52.30%028%0.281CS..  trans-60121.8-174.5-68.9171000112.4I432 Q433 F434 I553 F554 Q564 I565 F574I432-L557 HydrophobicContact CG2-CB 4.36Å; I432-L557 HydrophobicContact CG2-CD2 3.39Å; I432-L557 HydrophobicContact CG2-CG 4.34Å; Q433-L557 WeakPolarHBondContact O-CA 3.47Å; F434-L557 HydrophobicContact CB-CD2 3.82Å; F434-L557 HydrophobicContact CG-CD2 4.41Å; I553-L557 HydrophobicContact CG2-CD2 4.1Å; I553-L557 WeakPolarHBondContact O-CG 3.36Å; I553-L557 PolarHBondContact O-N 3.1Å; I553-L557 VanDerWaalsContact O-N 3.14Å; F554-L557 HydrophobicContact CB-CD1 4.24Å; F554-L557 HydrophobicContact CD1-CD1 3.83Å; F554-L557 HydrophobicContact CG-CD1 4.24Å; F554-L557 PolarHBondContact O-N 3.43Å; L557-Q564 CarbonylContact O-C 3.6Å; L557-Q564 WeakPolarHBondContact O-CA 3.48Å; L557-I565 HydrophobicContact CB-CB 4.16Å; L557-I565 HydrophobicContact CB-CD1 4.22Å; L557-I565 HydrophobicContact CB-CG1 4.4Å; L557-I565 PolarHBondContact O-N 3.21Å; L557-F574 HydrophobicContact CD1-CD1 3.47Å; L557-F574 VanDerWaalsContact CD1-CD1 3.47Å; L557-F574 HydrophobicContact CD1-CD2 4.49Å; L557-F574 HydrophobicContact CD1-CE1 3.49Å; L557-F574 VanDerWaalsContact CD1-CE1 3.49Å; L557-F574 HydrophobicContact CD1-CG 4Å; L557-F574 HydrophobicContact CD1-CZ 4.04Å
558S87.6Confident86.5Confident18 Ų1853.8 Ų53.813%0.12630%0.297CS..BIsolated β-bridgetrans-119.5153.5171.850.20000113.1Q433 T556 N563Q433-S558 WeakPolarHBondContact CB-OG 3.08Å; Q433-S558 PolarHBondContact N-O 3.33Å; Q433-S558 PolarHBondContact O-N 3.35Å; T556-S558 PolarHBondContact O-N 3.44Å; S558-N563 VanDerWaalsContact CA-O 3.28Å; S558-N563 WeakPolarHBondContact CA-O 3.32Å
559D84.7Confident86Confident22 Ų2260.1 Ų60.112%0.11832%0.322CS..  trans-79178.11666913.9000111.7F429 S561 N562 N563F429-D559 HydrophobicContact CD1-CB 3.82Å; F429-D559 HydrophobicContact CE1-CB 4Å; D559-S561 PolarHBondContact O-N 3.19Å; D559-S561 VanDerWaalsContact O-N 3.07Å; D559-S561 VanDerWaalsContact OD1-C 3.22Å; D559-S561 VanDerWaalsContact OD1-CA 3.28Å; D559-S561 WeakPolarHBondContact OD1-CA 3.41Å; D559-S561 WeakPolarHBondContact OD1-CB 3.13Å; D559-S561 PolarHBondContact OD1-N 2.96Å; D559-N562 PolarHBondContact O-N 3.47Å; D559-N562 PolarHBondContact OD1-N 3.07Å; D559-N562 VanDerWaalsContact OD1-N 3.16Å; D559-N563 PolarHBondContact N-O 2.99Å; D559-N563 WeakPolarHBondContact OD1-CB 3.27Å; D559-N563 PolarHBondContact OD1-N 3.41Å; D559-N563 PolarHBondContact OD1-ND2 2.86Å; D559-N563 WeakPolarHBondContact OD2-CB 3.3Å; D559-N563 PolarHBondContact OD2-ND2 3.1Å
560T78.3Confident85.5Confident87 Ų8760.4 Ų60.453%0.53432%0.323SS..THydrogen-bonded Turntrans-60.1-14.417650.70000114.5S431S431-T560 WeakPolarHBondContact OG-CG2 3.35Å
561S79.3Confident85.3Confident83 Ų8364.1 Ų64.158%0.5834%0.339SS*.THydrogen-bonded Turntrans-103.616.1178.4-58.90000112.1D559 N563D559-S561 PolarHBondContact O-N 3.19Å; D559-S561 VanDerWaalsContact O-N 3.07Å; D559-S561 VanDerWaalsContact OD1-C 3.22Å; D559-S561 VanDerWaalsContact OD1-CA 3.28Å; D559-S561 WeakPolarHBondContact OD1-CA 3.41Å; D559-S561 WeakPolarHBondContact OD1-CB 3.13Å; D559-S561 PolarHBondContact OD1-N 2.96Å; S561-N563 WeakPolarHBondContact CB-ND2 3.11Å; S561-N563 PolarHBondContact O-N 3.26Å
562N79.6Confident85.3Confident119 Ų11962.6 Ų62.664%0.63633%0.334SS*.SBendtrans60.116.7-176.9-69.6-27.5000115.4Q433 D559Q433-N562 PolarHBondContact OE1-OD1 3Å; D559-N562 PolarHBondContact O-N 3.47Å; D559-N562 PolarHBondContact OD1-N 3.07Å; D559-N562 VanDerWaalsContact OD1-N 3.16Å
563N83.5Confident85.2Confident94 Ų9458.9 Ų58.950%0.50331%0.311SS..  trans-81131174.5-55.5-69.7000110.6S558 D559 S561 I565S558-N563 VanDerWaalsContact CA-O 3.28Å; S558-N563 WeakPolarHBondContact CA-O 3.32Å; D559-N563 PolarHBondContact N-O 2.99Å; D559-N563 WeakPolarHBondContact OD1-CB 3.27Å; D559-N563 PolarHBondContact OD1-N 3.41Å; D559-N563 PolarHBondContact OD1-ND2 2.86Å; D559-N563 WeakPolarHBondContact OD2-CB 3.3Å; D559-N563 PolarHBondContact OD2-ND2 3.1Å; S561-N563 WeakPolarHBondContact CB-ND2 3.11Å; S561-N563 PolarHBondContact O-N 3.26Å; N563-I565 PolarHBondContact O-N 3.36Å
564Q85Confident85.3Confident80 Ų8058.8 Ų58.837%0.37431%0.311SS..BIsolated β-bridgetrans-65.8120.3177.2-71.4-178.3-32.200111.8L557 I566 K567 G568L557-Q564 CarbonylContact O-C 3.6Å; L557-Q564 WeakPolarHBondContact O-CA 3.48Å; Q564-I566 VanDerWaalsContact C-N 3.26Å; Q564-I566 PolarHBondContact O-N 3.08Å; Q564-K567 HydrophobicContact CB-CB 4.43Å; Q564-K567 HydrophobicContact CB-CD 4.35Å; Q564-K567 HydrophobicContact CB-CG 4.45Å; Q564-K567 PolarHBondContact O-N 3.22Å; Q564-G568 PolarHBondContact O-N 3.22Å; Q564-G568 VanDerWaalsContact O-N 3.14Å
565I85.3Confident85.4Confident2 Ų259 Ų591%0.0131%0.312CS..THydrogen-bonded Turntrans-61.5-34.3-175.3-66-179000111.6F429 I432 L557 N563 K567 G568 K571 F574F429-I565 HydrophobicContact CD2-CD1 3.91Å; F429-I565 HydrophobicContact CE2-CD1 3.89Å; F429-I565 HydrophobicContact CE2-CG1 4.08Å; F429-I565 HydrophobicContact CE2-CG2 3.92Å; F429-I565 HydrophobicContact CG-CD1 4.47Å; F429-I565 HydrophobicContact CZ-CD1 4.4Å; F429-I565 HydrophobicContact CZ-CG1 4.16Å; F429-I565 HydrophobicContact CZ-CG2 4.33Å; I432-I565 HydrophobicContact CB-CD1 4.46Å; I432-I565 HydrophobicContact CD1-CD1 4.34Å; I432-I565 HydrophobicContact CG1-CD1 3.92Å; I432-I565 HydrophobicContact CG2-CD1 3.87Å; L557-I565 HydrophobicContact CB-CB 4.16Å; L557-I565 HydrophobicContact CB-CD1 4.22Å; L557-I565 HydrophobicContact CB-CG1 4.4Å; L557-I565 PolarHBondContact O-N 3.21Å; N563-I565 PolarHBondContact O-N 3.36Å; I565-K567 VanDerWaalsContact C-N 3.26Å; I565-K567 PolarHBondContact O-N 3.04Å; I565-G568 PolarHBondContact O-N 2.99Å; I565-G568 VanDerWaalsContact O-N 3.15Å; I565-K571 WeakPolarHBondContact O-CB 3.2Å; I565-F574 HydrophobicContact CG2-CD2 3.9Å; I565-F574 HydrophobicContact CG2-CE2 3.71Å
566I83.4Confident85.7Confident21 Ų2156.4 Ų56.411%0.10830%0.296CS..THydrogen-bonded Turntrans-64.9-25174.5-74.6-170.2000113.1F554 V555 Q564 K571 L575 L578F554-I566 HydrophobicContact CB-CD1 4.23Å; F554-I566 WeakPolarHBondContact O-CD1 3.14Å; F554-I566 WeakPolarHBondContact O-CG1 3.49Å; V555-I566 HydrophobicContact CG2-CD1 4.46Å; Q564-I566 VanDerWaalsContact C-N 3.26Å; Q564-I566 PolarHBondContact O-N 3.08Å; I566-K571 WeakPolarHBondContact O-CB 3.46Å; I566-K571 WeakPolarHBondContact O-CD 3.48Å; I566-L575 HydrophobicContact CD1-CD2 4.2Å; I566-L575 HydrophobicContact CG2-CD1 4.49Å; I566-L575 HydrophobicContact CG2-CD2 3.91Å; I566-L575 HydrophobicContact CG2-CG 4.28Å; I566-L578 HydrophobicContact CD1-CD1 4.02Å
567K82.4Confident86Confident158 Ų15853.8 Ų53.869%0.68728%0.28SS*.THydrogen-bonded Turntrans-88.9-21.9173.9-68.9175.6-179.41590112.1Q564 I565Q564-K567 HydrophobicContact CB-CB 4.43Å; Q564-K567 HydrophobicContact CB-CD 4.35Å; Q564-K567 HydrophobicContact CB-CG 4.45Å; Q564-K567 PolarHBondContact O-N 3.22Å; I565-K567 VanDerWaalsContact C-N 3.26Å; I565-K567 PolarHBondContact O-N 3.04Å
568G82.6Confident86.2Confident33 Ų3354 Ų5434%0.3428%0.281SS..SBendtrans-73.1-176.5179.200000116Q564 I565 Q570 K571Q564-G568 PolarHBondContact O-N 3.22Å; Q564-G568 VanDerWaalsContact O-N 3.14Å; I565-G568 PolarHBondContact O-N 2.99Å; I565-G568 VanDerWaalsContact O-N 3.15Å; G568-Q570 PolarHBondContact O-N 3.25Å; G568-K571 WeakPolarHBondContact O-CD 3.31Å; G568-K571 WeakPolarHBondContact O-CG 3.24Å
569K82.3Confident86.6Confident216 Ų21653.1 Ų53.194%0.93928%0.275SS*.THydrogen-bonded Turntrans-71-27.8-176.8-64177.5-178.4174.30113.5
570Q82.9Confident87.1Confident64 Ų6452.1 Ų52.130%0.29927%0.27SS..THydrogen-bonded Turntrans-100.930.4-171.5-59.3-168.275.400113.7A425 N428 F429 G568A425-Q570 HydrophobicContact CB-CB 4.23Å; N428-Q570 PolarHBondContact ND2-OE1 3.34Å; F429-Q570 HydrophobicContact CE2-CB 4.01Å; F429-Q570 HydrophobicContact CZ-CB 4.15Å; F429-Q570 HydrophobicContact CZ-CG 4.46Å; G568-Q570 PolarHBondContact O-N 3.25Å
571K88.4Confident87.9Confident80 Ų8048.1 Ų48.135%0.34825%0.246SC..  trans-76.9-20.5-172.760.3-175.6179.1179.80116.9I565 I566 G568 G573 F574 L575I565-K571 WeakPolarHBondContact O-CB 3.2Å; I566-K571 WeakPolarHBondContact O-CB 3.46Å; I566-K571 WeakPolarHBondContact O-CD 3.48Å; G568-K571 WeakPolarHBondContact O-CD 3.31Å; G568-K571 WeakPolarHBondContact O-CG 3.24Å; K571-G573 PolarHBondContact O-N 2.93Å; K571-F574 PolarHBondContact O-N 3.18Å; K571-L575 HydrophobicContact CB-CD1 4.05Å; K571-L575 HydrophobicContact CB-CG 4.48Å; K571-L575 HydrophobicContact CD-CD1 3.8Å; K571-L575 HydrophobicContact CG-CD1 3.93Å; K571-L575 PolarHBondContact O-N 3.02Å
572L89.9Confident88.6Confident43 Ų4346 Ų4623%0.22523%0.226CC..Hα-helixtrans-66-33.1-163.4-174.561000114.1A375 V380 L421 G576A375-L572 HydrophobicContact CB-CD2 4.06Å; A375-L572 HydrophobicContact CB-CG 4.23Å; V380-L572 HydrophobicContact CG2-CD1 3.65Å; V380-L572 HydrophobicContact CG2-CD2 4.24Å; L421-L572 HydrophobicContact CD1-CB 4.24Å; L421-L572 HydrophobicContact CD1-CD2 4.14Å; L421-L572 HydrophobicContact CD1-CG 4.08Å; L572-G576 PolarHBondContact O-N 2.95Å
573G90.3Very high89.3Confident1 Ų140.3 Ų40.31%0.0120%0.196CC..Hα-helixtrans-62.7-49176.400000112.4K571 F577K571-G573 PolarHBondContact O-N 2.93Å; G573-F577 WeakPolarHBondContact O-CD2 3.37Å; G573-F577 PolarHBondContact O-N 2.79Å
574F92.6Very high89.9Confident0 Ų035.8 Ų35.80%017%0.172CC..Hα-helixtrans-67.4-52.2179-55.7-77.4000111.6I422 A425 I432 F510 F554 L557 I565 K571 G576 F577 L578I422-F574 HydrophobicContact CB-CE1 4.43Å; I422-F574 HydrophobicContact CB-CZ 4.42Å; I422-F574 HydrophobicContact CD1-CD1 3.75Å; I422-F574 HydrophobicContact CD1-CE1 3.85Å; I422-F574 HydrophobicContact CD1-CG 4.4Å; I422-F574 HydrophobicContact CG1-CD1 3.99Å; I422-F574 HydrophobicContact CG1-CE1 3.84Å; I422-F574 HydrophobicContact CG1-CE2 4.41Å; I422-F574 HydrophobicContact CG1-CG 4.36Å; I422-F574 HydrophobicContact CG1-CZ 4.06Å; I422-F574 HydrophobicContact CG2-CE1 3.89Å; I422-F574 HydrophobicContact CG2-CZ 4Å; A425-F574 HydrophobicContact CB-CE2 4.03Å; A425-F574 HydrophobicContact CB-CZ 4.46Å; I432-F574 HydrophobicContact CD1-CZ 4.47Å; F510-F574 HydrophobicContact CE2-CE1 4.42Å; F510-F574 HydrophobicContact CZ-CE1 4.36Å; F554-F574 AromaticContact CD1-CD1 3.96Å; F554-F574 HydrophobicContact CD1-CD1 3.96Å; F554-F574 HydrophobicContact CD2-CB 3.9Å; F554-F574 HydrophobicContact CD2-CD1 4.05Å; F554-F574 HydrophobicContact CD2-CG 4.5Å; F554-F574 AromaticContact CE1-CD1 3.95Å; F554-F574 HydrophobicContact CE1-CD1 3.95Å; F554-F574 HydrophobicContact CE1-CE1 4.4Å; F554-F574 HydrophobicContact CE2-CB 4.36Å; F554-F574 HydrophobicContact CE2-CD1 4.04Å; F554-F574 HydrophobicContact CG-CB 4.26Å; F554-F574 HydrophobicContact CG-CD1 4.03Å; F554-F574 AromaticContact CZ-CD1 3.99Å; F554-F574 HydrophobicContact CZ-CD1 3.99Å; L557-F574 HydrophobicContact CD1-CD1 3.47Å; L557-F574 VanDerWaalsContact CD1-CD1 3.47Å; L557-F574 HydrophobicContact CD1-CD2 4.49Å; L557-F574 HydrophobicContact CD1-CE1 3.49Å; L557-F574 VanDerWaalsContact CD1-CE1 3.49Å; L557-F574 HydrophobicContact CD1-CG 4Å; L557-F574 HydrophobicContact CD1-CZ 4.04Å; I565-F574 HydrophobicContact CG2-CD2 3.9Å; I565-F574 HydrophobicContact CG2-CE2 3.71Å; K571-F574 PolarHBondContact O-N 3.18Å; F574-G576 VanDerWaalsContact C-N 3.27Å; F574-G576 PolarHBondContact O-N 3.49Å; F574-F577 PolarHBondContact O-N 3.44Å; F574-F577 VanDerWaalsContact O-N 3.12Å; F574-L578 WeakPolarHBondContact O-CG 3.32Å; F574-L578 PolarHBondContact O-N 3.47Å; F574-L578 VanDerWaalsContact O-N 3.08Å
575L92.3Very high90.3Very high6 Ų633.1 Ų33.13%0.03116%0.159CC..Hα-helixtrans-59-36.5178.1-78178000112.7I390 I566 K571 L578 L579I390-L575 HydrophobicContact CG2-CB 4.09Å; I566-L575 HydrophobicContact CD1-CD2 4.2Å; I566-L575 HydrophobicContact CG2-CD1 4.49Å; I566-L575 HydrophobicContact CG2-CD2 3.91Å; I566-L575 HydrophobicContact CG2-CG 4.28Å; K571-L575 HydrophobicContact CB-CD1 4.05Å; K571-L575 HydrophobicContact CB-CG 4.48Å; K571-L575 HydrophobicContact CD-CD1 3.8Å; K571-L575 HydrophobicContact CG-CD1 3.93Å; K571-L575 PolarHBondContact O-N 3.02Å; L575-L578 PolarHBondContact O-N 2.93Å; L575-L579 PolarHBondContact O-N 2.87Å
576G93.1Very high90.7Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-67.4-35.617700000113.3L572 F574 L579 N580L572-G576 PolarHBondContact O-N 2.95Å; F574-G576 VanDerWaalsContact C-N 3.27Å; F574-G576 PolarHBondContact O-N 3.49Å; G576-L579 PolarHBondContact O-N 3.39Å; G576-N580 WeakPolarHBondContact O-CB 3.26Å; G576-N580 VanDerWaalsContact O-CG 3.27Å; G576-N580 PolarHBondContact O-N 3.09Å; G576-N580 PolarHBondContact O-OD1 2.72Å
577F93.9Very high91.2Very high2 Ų233.8 Ų33.81%0.00916%0.16CC..Hα-helixtrans-69.7-36.8173.4-92.2-67.3000111.8L418 L419 I422 F521 F554 G573 F574 N580 A581L418-F577 HydrophobicContact CB-CD2 3.64Å; L418-F577 HydrophobicContact CB-CE2 3.41Å; L418-F577 VanDerWaalsContact CB-CE2 3.41Å; L418-F577 HydrophobicContact CB-CG 4.41Å; L418-F577 HydrophobicContact CB-CZ 3.99Å; L418-F577 HydrophobicContact CD1-CB 4.48Å; L418-F577 HydrophobicContact CD1-CD1 4.22Å; L418-F577 HydrophobicContact CD1-CD2 4.02Å; L418-F577 HydrophobicContact CD1-CE1 4.5Å; L418-F577 HydrophobicContact CD1-CE2 4.33Å; L418-F577 HydrophobicContact CD1-CG 3.97Å; L418-F577 HydrophobicContact CG-CD2 4.48Å; L419-F577 HydrophobicContact CB-CZ 4.49Å; I422-F577 HydrophobicContact CD1-CD2 3.62Å; I422-F577 HydrophobicContact CD1-CE2 3.88Å; F521-F577 AromaticContact CD2-CD1 3.99Å; F521-F577 HydrophobicContact CD2-CD1 3.99Å; F521-F577 AromaticContact CD2-CE1 3.93Å; F521-F577 HydrophobicContact CD2-CE1 3.93Å; F521-F577 HydrophobicContact CE2-CD1 4.03Å; F521-F577 HydrophobicContact CE2-CE1 4.43Å; F554-F577 HydrophobicContact CE2-CB 3.93Å; G573-F577 WeakPolarHBondContact O-CD2 3.37Å; G573-F577 PolarHBondContact O-N 2.79Å; F574-F577 PolarHBondContact O-N 3.44Å; F574-F577 VanDerWaalsContact O-N 3.12Å; F577-N580 PolarHBondContact O-N 3.49Å; F577-A581 WeakPolarHBondContact O-CB 3.41Å; F577-A581 PolarHBondContact O-N 3.34Å
578L93.9Very high91.6Very high4 Ų427 Ų272%0.02113%0.131CC..Hα-helixtrans-64.2-41.9172.4-57.5-177.9000111.1M395 K551 F554 I566 F574 L575 A581 E582M395-L578 HydrophobicContact CE-CB 3.68Å; M395-L578 VanDerWaalsContact CE-O 3.26Å; M395-L578 WeakPolarHBondContact CE-O 3.33Å; M395-L578 HydrophobicContact SD-CB 4.27Å; K551-L578 HydrophobicContact CB-CD2 4.1Å; K551-L578 HydrophobicContact CG-CD2 4.38Å; F554-L578 HydrophobicContact CB-CD1 4.13Å; F554-L578 HydrophobicContact CB-CD2 4.21Å; F554-L578 HydrophobicContact CB-CG 4.42Å; F554-L578 HydrophobicContact CD2-CD1 4.48Å; F554-L578 HydrophobicContact CD2-CD2 3.7Å; F554-L578 HydrophobicContact CD2-CG 3.92Å; F554-L578 HydrophobicContact CE2-CD2 4.5Å; F554-L578 HydrophobicContact CG-CD2 4.32Å; I566-L578 HydrophobicContact CD1-CD1 4.02Å; F574-L578 WeakPolarHBondContact O-CG 3.32Å; F574-L578 PolarHBondContact O-N 3.47Å; F574-L578 VanDerWaalsContact O-N 3.08Å; L575-L578 PolarHBondContact O-N 2.93Å; L578-A581 WeakPolarHBondContact O-CB 3.39Å; L578-A581 PolarHBondContact O-N 2.95Å; L578-E582 PolarHBondContact O-N 3.19Å
579L94.6Very high92Very high0 Ų030.8 Ų30.80%014%0.139CC..Hα-helixtrans-59.9-48.5175.1-175.771.3000111I388 I390 M395 C397 Y411 F413 L575 G576 A581 E582 S583I388-L579 HydrophobicContact CG2-CD1 4.02Å; I388-L579 HydrophobicContact CG2-CD2 4.19Å; I390-L579 HydrophobicContact CD1-CD2 4.25Å; I390-L579 HydrophobicContact CG1-CD2 4.16Å; M395-L579 HydrophobicContact CG-CD1 3.78Å; M395-L579 HydrophobicContact SD-CB 3.89Å; M395-L579 HydrophobicContact SD-CD1 4.05Å; C397-L579 HydrophobicContact CB-CD1 4.11Å; Y411-L579 HydrophobicContact CD1-CD2 3.98Å; F413-L579 HydrophobicContact CD2-CD2 3.79Å; F413-L579 HydrophobicContact CE2-CD2 3.49Å; F413-L579 VanDerWaalsContact CE2-CD2 3.49Å; F413-L579 HydrophobicContact CZ-CD2 4.38Å; L575-L579 PolarHBondContact O-N 2.87Å; G576-L579 PolarHBondContact O-N 3.39Å; L579-A581 PolarHBondContact O-N 3.08Å; L579-E582 PolarHBondContact O-N 3.43Å; L579-S583 WeakPolarHBondContact O-CB 3.43Å; L579-S583 PolarHBondContact O-N 2.67Å; L579-S583 PolarHBondContact O-OG 2.72Å
580N95.6Very high92.4Very high1 Ų124 Ų241%0.00511%0.113CC..Hα-helixtrans-58.6-36.8175.5-74.36.5000111.9F412 F413 S415 L418 F521 G576 F577 L584F412-N580 WeakPolarHBondContact CA-OD1 3.24Å; F412-N580 HydrophobicContact CD1-CB 3.92Å; F412-N580 HydrophobicContact CE1-CB 4.3Å; F412-N580 WeakPolarHBondContact CE1-O 3.06Å; F413-N580 PolarHBondContact N-OD1 2.73Å; F413-N580 PolarHBondContact O-ND2 2.99Å; S415-N580 PolarHBondContact OG-ND2 3.24Å; L418-N580 WeakPolarHBondContact CD1-ND2 3.42Å; F521-N580 HydrophobicContact CD1-CB 4.36Å; F521-N580 HydrophobicContact CE1-CB 3.71Å; F521-N580 WeakPolarHBondContact CE1-O 3.3Å; F521-N580 HydrophobicContact CE2-CB 4.13Å; F521-N580 HydrophobicContact CZ-CB 3.59Å; G576-N580 WeakPolarHBondContact O-CB 3.26Å; G576-N580 VanDerWaalsContact O-CG 3.27Å; G576-N580 PolarHBondContact O-N 3.09Å; G576-N580 PolarHBondContact O-OD1 2.72Å; F577-N580 PolarHBondContact O-N 3.49Å; N580-L584 VanDerWaalsContact O-CB 3.31Å; N580-L584 WeakPolarHBondContact O-CB 3.26Å; N580-L584 PolarHBondContact O-N 2.88Å
581A94.6Very high92.6Very high4 Ų422.7 Ų22.73%0.03311%0.106CC..Hα-helixtrans-64.9-48.7176.500000112.2L547 F577 L578 L579 L584 K585L547-A581 HydrophobicContact CB-CB 4.29Å; L547-A581 HydrophobicContact CD1-CB 4.19Å; L547-A581 HydrophobicContact CD2-CB 3.79Å; L547-A581 HydrophobicContact CG-CB 4.29Å; F577-A581 WeakPolarHBondContact O-CB 3.41Å; F577-A581 PolarHBondContact O-N 3.34Å; L578-A581 WeakPolarHBondContact O-CB 3.39Å; L578-A581 PolarHBondContact O-N 2.95Å; L579-A581 PolarHBondContact O-N 3.08Å; A581-L584 PolarHBondContact O-N 3.16Å; A581-K585 WeakPolarHBondContact O-CG 3.37Å; A581-K585 PolarHBondContact O-N 2.78Å
582E94.2Very high92.5Very high37 Ų3719.1 Ų19.117%0.1739%0.091CC..Hα-helixtrans-68.2-34.4177-56.9-58.9170.700111.7M395 C397 K551 L578 L579 K585 W586M395-E582 HydrophobicContact CE-CB 4.32Å; M395-E582 HydrophobicContact CE-CG 3.52Å; C397-E582 HydrophobicContact CB-CB 4.13Å; K551-E582 IonicContact NZ-OE1 3.11Å; K551-E582 PolarHBondContact NZ-OE1 3.49Å; L578-E582 PolarHBondContact O-N 3.19Å; L579-E582 PolarHBondContact O-N 3.43Å; E582-K585 VanDerWaalsContact CD-NZ 3.33Å; E582-K585 IonicContact OE1-NZ 3.08Å; E582-K585 PolarHBondContact OE1-NZ 3.37Å; E582-K585 VanDerWaalsContact OE1-NZ 3.08Å; E582-K585 VanDerWaalsContact OE2-CD 3.26Å; E582-K585 WeakPolarHBondContact OE2-CD 3.43Å; E582-K585 IonicContact OE2-NZ 2.97Å; E582-K585 PolarHBondContact OE2-NZ 2.78Å; E582-W586 WeakPolarHBondContact O-CB 3.47Å; E582-W586 PolarHBondContact O-N 2.81Å
583S95.3Very high92.3Very high0 Ų023.5 Ų23.50%011%0.108CC..Hα-helixtrans-61.6-41170.4-72.10000112.6C397 Y411 L579 W586 L587C397-S583 WeakPolarHBondContact CB-OG 3.47Å; C397-S583 PolarHBondContact O-OG 3.2Å; Y411-S583 PolarHBondContact O-OG 2.7Å; L579-S583 WeakPolarHBondContact O-CB 3.43Å; L579-S583 PolarHBondContact O-N 2.67Å; L579-S583 PolarHBondContact O-OG 2.72Å; S583-W586 PolarHBondContact O-N 3.43Å; S583-L587 WeakPolarHBondContact O-CG 3.31Å; S583-L587 PolarHBondContact O-N 3.48Å
584L94.7Very high91.8Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-69.6-42.2179-174.361.2000112.1I520 F521 L535 I543 L547 N580 A581 W586 L587 Y588 T604I520-L584 HydrophobicContact CG2-CD2 3.6Å; F521-L584 HydrophobicContact CD1-CD2 4.44Å; F521-L584 HydrophobicContact CE1-CB 4.03Å; F521-L584 HydrophobicContact CE1-CD2 3.76Å; F521-L584 HydrophobicContact CE1-CG 4.42Å; F521-L584 HydrophobicContact CZ-CB 4.44Å; F521-L584 HydrophobicContact CZ-CD2 4.1Å; L535-L584 HydrophobicContact CD1-CD1 4.42Å; L535-L584 HydrophobicContact CD1-CG 4.46Å; L535-L584 HydrophobicContact CD2-CD1 3.69Å; L535-L584 HydrophobicContact CD2-CG 4.38Å; I543-L584 HydrophobicContact CG2-CD2 4.38Å; L547-L584 HydrophobicContact CD1-CD2 4.35Å; N580-L584 VanDerWaalsContact O-CB 3.31Å; N580-L584 WeakPolarHBondContact O-CB 3.26Å; N580-L584 PolarHBondContact O-N 2.88Å; A581-L584 PolarHBondContact O-N 3.16Å; L584-W586 VanDerWaalsContact C-N 3.32Å; L584-W586 PolarHBondContact O-N 2.87Å; L584-L587 PolarHBondContact O-N 2.93Å; L584-Y588 PolarHBondContact O-N 3.42Å; L584-T604 HydrophobicContact CD1-CG2 3.64Å; L584-T604 HydrophobicContact CD2-CG2 4.19Å
585K93.8Very high90.3Very high24 Ų2435.2 Ų35.210%0.10416%0.163CC..Hα-helixtrans-60.6-42.5172.5-67172.1-166.1166.20111.3L547 A581 E582 Y588 Q589L547-K585 HydrophobicContact CD1-CG 4.12Å; A581-K585 WeakPolarHBondContact O-CG 3.37Å; A581-K585 PolarHBondContact O-N 2.78Å; E582-K585 VanDerWaalsContact CD-NZ 3.33Å; E582-K585 IonicContact OE1-NZ 3.08Å; E582-K585 PolarHBondContact OE1-NZ 3.37Å; E582-K585 VanDerWaalsContact OE1-NZ 3.08Å; E582-K585 VanDerWaalsContact OE2-CD 3.26Å; E582-K585 WeakPolarHBondContact OE2-CD 3.43Å; E582-K585 IonicContact OE2-NZ 2.97Å; E582-K585 PolarHBondContact OE2-NZ 2.78Å; K585-Y588 WeakPolarHBondContact O-CB 3.23Å; K585-Y588 PolarHBondContact O-N 3.22Å; K585-Q589 VanDerWaalsContact O-CG 3.31Å; K585-Q589 WeakPolarHBondContact O-CG 3.36Å; K585-Q589 PolarHBondContact O-N 3.45Å
586W93.7Very high88.4Confident35 Ų3541.1 Ų41.113%0.13320%0.198CC..Hα-helixtrans-62.4-45.4176.6-175.490.4000111.9T398 Q408 A410 E582 S583 L584 Y588 Q589 N590 Y591T398-W586 HydrophobicContact CG2-CD2 3.46Å; T398-W586 VanDerWaalsContact CG2-CD2 3.46Å; T398-W586 HydrophobicContact CG2-CE3 3.79Å; T398-W586 HydrophobicContact CG2-CG 3.75Å; T398-W586 HydrophobicContact CG2-CH2 4.48Å; T398-W586 HydrophobicContact CG2-CZ2 4.21Å; T398-W586 HydrophobicContact CG2-CZ3 4.27Å; Q408-W586 HydrophobicContact CB-CH2 3.85Å; Q408-W586 HydrophobicContact CB-CZ2 3.62Å; A410-W586 HydrophobicContact CB-CE3 4.14Å; A410-W586 HydrophobicContact CB-CZ3 4.38Å; E582-W586 WeakPolarHBondContact O-CB 3.47Å; E582-W586 PolarHBondContact O-N 2.81Å; S583-W586 PolarHBondContact O-N 3.43Å; L584-W586 VanDerWaalsContact C-N 3.32Å; L584-W586 PolarHBondContact O-N 2.87Å; W586-Y588 PolarHBondContact O-N 3.47Å; W586-Q589 PolarHBondContact O-N 3.48Å; W586-N590 VanDerWaalsContact CE2-ND2 3.25Å; W586-N590 HydrophobicContact CH2-CB 4.34Å; W586-N590 HydrophobicContact CZ2-CB 4.18Å; W586-N590 PolarHBondContact NE1-ND2 3.36Å; W586-N590 WeakPolarHBondContact O-CB 3.49Å; W586-N590 PolarHBondContact O-N 2.88Å; W586-N590 PolarHBondContact O-ND2 2.92Å; W586-Y591 AromaticContact CH2-CE2 3.96Å; W586-Y591 HydrophobicContact CH2-CE2 3.96Å; W586-Y591 AromaticContact CZ3-CE2 3.82Å; W586-Y591 HydrophobicContact CZ3-CE2 3.82Å
587L93.3Very high87Confident1 Ų148.1 Ų48.11%0.00523%0.233CC..Hα-helixtrans-62.2-41.3175.5-75.3177.8000112.3L369 A410 F412 S583 L584 N590 Y591 L602 F607L369-L587 HydrophobicContact CB-CD2 4.41Å; A410-L587 HydrophobicContact CB-CD1 4.41Å; A410-L587 HydrophobicContact CB-CD2 4.27Å; A410-L587 HydrophobicContact CB-CG 4.16Å; F412-L587 HydrophobicContact CE2-CD1 3.75Å; F412-L587 HydrophobicContact CZ-CD1 3.79Å; S583-L587 WeakPolarHBondContact O-CG 3.31Å; S583-L587 PolarHBondContact O-N 3.48Å; L584-L587 PolarHBondContact O-N 2.93Å; L587-N590 PolarHBondContact O-N 3.25Å; L587-Y591 HydrophobicContact CD2-CD2 3.84Å; L587-Y591 HydrophobicContact CD2-CE2 3.98Å; L587-Y591 WeakPolarHBondContact O-CB 3.46Å; L587-Y591 PolarHBondContact O-N 2.82Å; L587-L602 HydrophobicContact CB-CD2 4.11Å; L587-L602 HydrophobicContact CD1-CD2 4.12Å; L587-F607 HydrophobicContact CD1-CE1 4.18Å; L587-F607 HydrophobicContact CD1-CE2 3.87Å; L587-F607 HydrophobicContact CD1-CZ 3.58Å
588Y92.3Very high86.1Confident17 Ų1751.5 Ų51.57%0.06726%0.255CS..Iπ-helixtrans-57.3-52.3174175.7-101.3000111.3L535 P537 Y540 L584 K585 W586 N590 V592 F593L535-Y588 HydrophobicContact CD2-CD2 4.36Å; L535-Y588 HydrophobicContact CG-CD2 4.2Å; P537-Y588 WeakPolarHBondContact CA-OH 3.49Å; Y540-Y588 AromaticContact CD1-CD1 3.82Å; Y540-Y588 HydrophobicContact CD1-CD1 3.82Å; Y540-Y588 AromaticContact CD1-CE1 3.37Å; Y540-Y588 HydrophobicContact CD1-CE1 3.37Å; Y540-Y588 HydrophobicContact CD1-CE2 4.22Å; Y540-Y588 HydrophobicContact CD1-CG 4.39Å; Y540-Y588 AromaticContact CD1-CZ 3.6Å; Y540-Y588 AromaticContact CD2-CD1 3.64Å; Y540-Y588 HydrophobicContact CD2-CD1 3.64Å; Y540-Y588 AromaticContact CD2-CD2 3.54Å; Y540-Y588 HydrophobicContact CD2-CD2 3.54Å; Y540-Y588 AromaticContact CD2-CE1 3.95Å; Y540-Y588 HydrophobicContact CD2-CE1 3.95Å; Y540-Y588 AromaticContact CD2-CE2 3.87Å; Y540-Y588 HydrophobicContact CD2-CE2 3.87Å; Y540-Y588 AromaticContact CD2-CG 3.42Å; Y540-Y588 HydrophobicContact CD2-CG 3.42Å; Y540-Y588 VanDerWaalsContact CD2-CG 3.42Å; Y540-Y588 AromaticContact CE1-CD1 3.63Å; Y540-Y588 HydrophobicContact CE1-CD1 3.63Å; Y540-Y588 AromaticContact CE1-CE1 3.51Å; Y540-Y588 HydrophobicContact CE1-CE1 3.51Å; Y540-Y588 HydrophobicContact CE1-CG 4.42Å; Y540-Y588 AromaticContact CE2-CD1 3.43Å; Y540-Y588 HydrophobicContact CE2-CD1 3.43Å; Y540-Y588 VanDerWaalsContact CE2-CD1 3.43Å; Y540-Y588 HydrophobicContact CE2-CD2 4.08Å; Y540-Y588 HydrophobicContact CE2-CE1 4.06Å; Y540-Y588 AromaticContact CE2-CG 3.44Å; Y540-Y588 HydrophobicContact CE2-CG 3.44Å; Y540-Y588 VanDerWaalsContact CE2-CG 3.44Å; Y540-Y588 AromaticContact CG-CD1 3.81Å; Y540-Y588 HydrophobicContact CG-CD1 3.81Å; Y540-Y588 AromaticContact CG-CD2 3.82Å; Y540-Y588 HydrophobicContact CG-CD2 3.82Å; Y540-Y588 AromaticContact CG-CE1 3.6Å; Y540-Y588 HydrophobicContact CG-CE1 3.6Å; Y540-Y588 AromaticContact CG-CE2 3.61Å; Y540-Y588 HydrophobicContact CG-CE2 3.61Å; Y540-Y588 AromaticContact CG-CG 3.91Å; Y540-Y588 HydrophobicContact CG-CG 3.91Å; Y540-Y588 AromaticContact CG-CZ 3.49Å; Y540-Y588 VanDerWaalsContact CG-CZ 3.49Å; Y540-Y588 AromaticContact CZ-CD1 3.42Å; Y540-Y588 VanDerWaalsContact CZ-CD1 3.42Å; Y540-Y588 AromaticContact CZ-CE1 3.85Å; Y540-Y588 AromaticContact CZ-CG 3.96Å; L584-Y588 PolarHBondContact O-N 3.42Å; K585-Y588 WeakPolarHBondContact O-CB 3.23Å; K585-Y588 PolarHBondContact O-N 3.22Å; W586-Y588 PolarHBondContact O-N 3.47Å; Y588-N590 VanDerWaalsContact C-N 3.33Å; Y588-N590 PolarHBondContact O-N 3.04Å; Y588-V592 HydrophobicContact CD2-CB 3.74Å; Y588-V592 HydrophobicContact CD2-CG1 3.86Å; Y588-V592 HydrophobicContact CD2-CG2 4.44Å; Y588-V592 HydrophobicContact CE2-CB 4.14Å; Y588-V592 HydrophobicContact CE2-CG1 3.85Å; Y588-V592 PolarHBondContact O-N 2.96Å; Y588-F593 HydrophobicContact CD1-CB 4.25Å; Y588-F593 HydrophobicContact CE1-CB 3.85Å; Y588-F593 HydrophobicContact CE1-CD2 4.08Å; Y588-F593 HydrophobicContact CE1-CG 4.16Å; Y588-F593 WeakPolarHBondContact O-CB 2.92Å; Y588-F593 PolarHBondContact O-N 2.87Å
589Q90.8Very high85.6Confident111 Ų11152 Ų5252%0.51926%0.257SS..Iπ-helixtrans-63.1-35-177.6-72172.6-4.300113.6K585 W586 P594K585-Q589 VanDerWaalsContact O-CG 3.31Å; K585-Q589 WeakPolarHBondContact O-CG 3.36Å; K585-Q589 PolarHBondContact O-N 3.45Å; W586-Q589 PolarHBondContact O-N 3.48Å; Q589-P594 WeakPolarHBondContact O-CD 3.18Å; Q589-P594 WeakPolarHBondContact O-CG 3.19Å
590N89.6Confident84.9Confident73 Ų7356.1 Ų56.139%0.3928%0.284SS..Iπ-helixtrans-97.2-15.1-173.2-71.1-90.2000114.7W586 L587 Y588 P594W586-N590 VanDerWaalsContact CE2-ND2 3.25Å; W586-N590 HydrophobicContact CH2-CB 4.34Å; W586-N590 HydrophobicContact CZ2-CB 4.18Å; W586-N590 PolarHBondContact NE1-ND2 3.36Å; W586-N590 WeakPolarHBondContact O-CB 3.49Å; W586-N590 PolarHBondContact O-N 2.88Å; W586-N590 PolarHBondContact O-ND2 2.92Å; L587-N590 PolarHBondContact O-N 3.25Å; Y588-N590 VanDerWaalsContact C-N 3.33Å; Y588-N590 PolarHBondContact O-N 3.04Å; N590-P594 VanDerWaalsContact C-CG 3.44Å; N590-P594 WeakPolarHBondContact O-CG 3.43Å
591Y88.2Confident84.3Confident37 Ų3759 Ų5915%0.14530%0.295CS..Iπ-helixtrans-131.6-31.8-177.5-65.3-82.2000115Y276 L369 W586 L587 F599Y276-Y591 HydrophobicContact CE1-CE1 4.42Å; L369-Y591 HydrophobicContact CD2-CD1 4.19Å; L369-Y591 HydrophobicContact CD2-CE1 3.54Å; L369-Y591 HydrophobicContact CD2-CE2 3.94Å; W586-Y591 AromaticContact CH2-CE2 3.96Å; W586-Y591 HydrophobicContact CH2-CE2 3.96Å; W586-Y591 AromaticContact CZ3-CE2 3.82Å; W586-Y591 HydrophobicContact CZ3-CE2 3.82Å; L587-Y591 HydrophobicContact CD2-CD2 3.84Å; L587-Y591 HydrophobicContact CD2-CE2 3.98Å; L587-Y591 WeakPolarHBondContact O-CB 3.46Å; L587-Y591 PolarHBondContact O-N 2.82Å; Y591-F599 HydrophobicContact CD1-CD1 4.43Å; Y591-F599 AromaticContact CD1-CE1 3.8Å; Y591-F599 HydrophobicContact CD1-CE1 3.8Å; Y591-F599 AromaticContact CD1-CE2 3.97Å; Y591-F599 HydrophobicContact CD1-CE2 3.97Å; Y591-F599 AromaticContact CD1-CZ 3.54Å; Y591-F599 HydrophobicContact CD1-CZ 3.54Å; Y591-F599 HydrophobicContact CE1-CZ 4.28Å; Y591-F599 HydrophobicContact CG-CD2 4.49Å; Y591-F599 HydrophobicContact CG-CE2 4.16Å; Y591-F599 HydrophobicContact CG-CZ 4.19Å; Y591-F599 WeakPolarHBondContact O-CB 3.41Å; Y591-F599 PolarHBondContact O-N 3.2Å
592V85.9Confident84Confident5 Ų558.9 Ų58.93%0.0329%0.294CS..Iπ-helixtrans-97.7-40.8-177.1-177.10000112.1L535 P537 Y588 P598 F599 L602L535-V592 HydrophobicContact CD2-CG2 4.34Å; P537-V592 HydrophobicContact CG-CG1 4.26Å; Y588-V592 HydrophobicContact CD2-CB 3.74Å; Y588-V592 HydrophobicContact CD2-CG1 3.86Å; Y588-V592 HydrophobicContact CD2-CG2 4.44Å; Y588-V592 HydrophobicContact CE2-CB 4.14Å; Y588-V592 HydrophobicContact CE2-CG1 3.85Å; Y588-V592 PolarHBondContact O-N 2.96Å; V592-P598 WeakPolarHBondContact O-CB 3.47Å; V592-F599 HydrophobicContact CG2-CB 4.33Å; V592-L602 HydrophobicContact CG2-CB 4.14Å
593F85.5Confident83.7Confident135 Ų13557.4 Ų57.459%0.59229%0.287SS*.SBendtrans-80.5-26.2179.7-171.1-107.4000117.1Y588Y588-F593 HydrophobicContact CD1-CB 4.25Å; Y588-F593 HydrophobicContact CE1-CB 3.85Å; Y588-F593 HydrophobicContact CE1-CD2 4.08Å; Y588-F593 HydrophobicContact CE1-CG 4.16Å; Y588-F593 WeakPolarHBondContact O-CB 2.92Å; Y588-F593 PolarHBondContact O-N 2.87Å
594P80.4Confident83.5Confident37 Ų3757.6 Ų57.624%0.2429%0.289CS..  trans-60.2140.3-174.9-23.732000113.9Q589 N590 V596 P598Q589-P594 WeakPolarHBondContact O-CD 3.18Å; Q589-P594 WeakPolarHBondContact O-CG 3.19Å; N590-P594 VanDerWaalsContact C-CG 3.44Å; N590-P594 WeakPolarHBondContact O-CG 3.43Å; P594-V596 PolarHBondContact O-N 2.91Å; P594-V596 VanDerWaalsContact O-N 3.13Å; P594-P598 WeakPolarHBondContact O-CB 3.42Å; P594-P598 WeakPolarHBondContact O-CD 3.47Å
595K60.2Low83.1Confident211 Ų21157.9 Ų57.992%0.91729%0.29SS*.SBendtrans-68.7-8.3176.6-62-173.3178.5-175.70114.4
596V52.9Low82.9Confident129 Ų12957 Ų5778%0.78229%0.286SS*.SBendtrans-116.1109.1-177-177.50000108.5P594P594-V596 PolarHBondContact O-N 2.91Å; P594-V596 VanDerWaalsContact O-N 3.13Å
597M64.1Low82.8Confident148 Ų14855.8 Ų55.873%0.72928%0.282SS*.SBendtrans46.561.2-173.3-84.3-169.168.100114.3
598P75.3Confident82.5Confident72 Ų7256.2 Ų56.247%0.46829%0.285SS..  trans-61.3142.6169.127-32.8000110.8V592 P594V592-P598 WeakPolarHBondContact O-CB 3.47Å; P594-P598 WeakPolarHBondContact O-CB 3.42Å; P594-P598 WeakPolarHBondContact O-CD 3.47Å
599F83.3Confident82.2Confident15 Ų1555.4 Ų55.47%0.06628%0.281CS..  trans-66.7133.2167.7-75.513.1000108.8Y276 I329 F330 L369 Y591 V592 Y601Y276-F599 AromaticContact CD1-CZ 3.93Å; Y276-F599 HydrophobicContact CD1-CZ 3.93Å; Y276-F599 HydrophobicContact CD2-CE1 4.26Å; Y276-F599 AromaticContact CD2-CZ 3.78Å; Y276-F599 HydrophobicContact CD2-CZ 3.78Å; Y276-F599 HydrophobicContact CE1-CE1 4.34Å; Y276-F599 AromaticContact CE1-CZ 3.87Å; Y276-F599 HydrophobicContact CE1-CZ 3.87Å; Y276-F599 AromaticContact CE2-CE1 3.77Å; Y276-F599 HydrophobicContact CE2-CE1 3.77Å; Y276-F599 AromaticContact CE2-CZ 3.71Å; Y276-F599 HydrophobicContact CE2-CZ 3.71Å; Y276-F599 AromaticContact CG-CZ 3.88Å; Y276-F599 HydrophobicContact CG-CZ 3.88Å; Y276-F599 AromaticContact CZ-CE1 3.82Å; Y276-F599 AromaticContact CZ-CZ 3.77Å; I329-F599 HydrophobicContact CG2-CE2 4.45Å; F330-F599 HydrophobicContact CE1-CB 4.44Å; F330-F599 HydrophobicContact CE1-CD2 4.24Å; F330-F599 HydrophobicContact CE1-CG 4.36Å; F330-F599 HydrophobicContact CE2-CD1 4.25Å; F330-F599 HydrophobicContact CE2-CD2 4.13Å; F330-F599 HydrophobicContact CE2-CE1 4.02Å; F330-F599 AromaticContact CE2-CE2 3.9Å; F330-F599 HydrophobicContact CE2-CE2 3.9Å; F330-F599 HydrophobicContact CE2-CG 4.3Å; F330-F599 AromaticContact CE2-CZ 3.84Å; F330-F599 HydrophobicContact CE2-CZ 3.84Å; F330-F599 HydrophobicContact CZ-CB 3.96Å; F330-F599 AromaticContact CZ-CD1 3.78Å; F330-F599 HydrophobicContact CZ-CD1 3.78Å; F330-F599 AromaticContact CZ-CD2 3.44Å; F330-F599 HydrophobicContact CZ-CD2 3.44Å; F330-F599 VanDerWaalsContact CZ-CD2 3.44Å; F330-F599 HydrophobicContact CZ-CE1 4.01Å; F330-F599 AromaticContact CZ-CE2 3.69Å; F330-F599 HydrophobicContact CZ-CE2 3.69Å; F330-F599 AromaticContact CZ-CG 3.48Å; F330-F599 HydrophobicContact CZ-CG 3.48Å; F330-F599 VanDerWaalsContact CZ-CG 3.48Å; F330-F599 AromaticContact CZ-CZ 3.96Å; F330-F599 HydrophobicContact CZ-CZ 3.96Å; L369-F599 HydrophobicContact CD1-CE2 3.64Å; L369-F599 HydrophobicContact CD1-CZ 4.1Å; Y591-F599 HydrophobicContact CD1-CD1 4.43Å; Y591-F599 AromaticContact CD1-CE1 3.8Å; Y591-F599 HydrophobicContact CD1-CE1 3.8Å; Y591-F599 AromaticContact CD1-CE2 3.97Å; Y591-F599 HydrophobicContact CD1-CE2 3.97Å; Y591-F599 AromaticContact CD1-CZ 3.54Å; Y591-F599 HydrophobicContact CD1-CZ 3.54Å; Y591-F599 HydrophobicContact CE1-CZ 4.28Å; Y591-F599 HydrophobicContact CG-CD2 4.49Å; Y591-F599 HydrophobicContact CG-CE2 4.16Å; Y591-F599 HydrophobicContact CG-CZ 4.19Å; Y591-F599 WeakPolarHBondContact O-CB 3.41Å; Y591-F599 PolarHBondContact O-N 3.2Å; V592-F599 HydrophobicContact CG2-CB 4.33Å; F599-Y601 PolarHBondContact O-N 3.16Å
600P78.9Confident81.8Confident87 Ų8750.4 Ų50.457%0.56526%0.258SS*.SBendtrans-63.9-32-17726.4-35.3000112F330 L536F330-P600 HydrophobicContact CE1-CG 4.24Å; L536-P600 WeakPolarHBondContact CD2-O 3.09Å
601Y84.3Confident81.4Confident60 Ų6047.3 Ų47.324%0.23524%0.241CC..  trans-163.6166.817259.9-93.2000109.8C526 P534 F599 L603C526-Y601 HydrophobicContact CB-CD2 4.35Å; C526-Y601 HydrophobicContact CB-CE1 4.19Å; C526-Y601 HydrophobicContact CB-CE2 3.99Å; P534-Y601 HydrophobicContact CB-CD2 4.35Å; P534-Y601 HydrophobicContact CB-CG 4.44Å; F599-Y601 PolarHBondContact O-N 3.16Å; Y601-L603 HydrophobicContact CD2-CD2 4.36Å; Y601-L603 HydrophobicContact CD2-CG 3.94Å; Y601-L603 HydrophobicContact CE2-CD1 3.91Å; Y601-L603 HydrophobicContact CE2-CD2 4.46Å; Y601-L603 HydrophobicContact CE2-CG 3.82Å
602L87.9Confident81.3Confident2 Ų245.6 Ų45.61%0.0124%0.235CC..BIsolated β-bridgetrans-130.3131.2168.1-174.368.7000111.1I329 L535 L587 V592 F607I329-L602 HydrophobicContact CG2-CD1 3.62Å; L535-L602 HydrophobicContact CB-CB 4.11Å; L535-L602 WeakPolarHBondContact CB-O 3.16Å; L535-L602 HydrophobicContact CD2-CB 4.18Å; L535-L602 HydrophobicContact CD2-CD2 3.99Å; L535-L602 PolarHBondContact N-O 3.25Å; L535-L602 PolarHBondContact O-N 2.78Å; L535-L602 VanDerWaalsContact O-N 3.16Å; L587-L602 HydrophobicContact CB-CD2 4.11Å; L587-L602 HydrophobicContact CD1-CD2 4.12Å; V592-L602 HydrophobicContact CG2-CB 4.14Å; L602-F607 HydrophobicContact CD1-CE2 4.27Å; L602-F607 HydrophobicContact CD1-CZ 4.02Å; L602-F607 HydrophobicContact CD2-CE2 3.9Å; L602-F607 HydrophobicContact CD2-CZ 4.05Å; L602-F607 HydrophobicContact CG-CE2 4.12Å; L602-F607 HydrophobicContact CG-CZ 4.32Å
603L87.3Confident81Confident6 Ų646.2 Ų46.23%0.03124%0.237CC..  trans-98.2115.5176-66.7174.8000109.7P534 Y601 Y605 K606 V826P534-L603 HydrophobicContact CB-CD2 3.95Å; Y601-L603 HydrophobicContact CD2-CD2 4.36Å; Y601-L603 HydrophobicContact CD2-CG 3.94Å; Y601-L603 HydrophobicContact CE2-CD1 3.91Å; Y601-L603 HydrophobicContact CE2-CD2 4.46Å; Y601-L603 HydrophobicContact CE2-CG 3.82Å; L603-Y605 VanDerWaalsContact C-N 3.25Å; L603-Y605 PolarHBondContact O-N 2.89Å; L603-K606 HydrophobicContact CB-CG 4.15Å; L603-K606 WeakPolarHBondContact O-CB 3.38Å; L603-K606 VanDerWaalsContact O-CG 3.32Å; L603-K606 WeakPolarHBondContact O-CG 3.27Å; L603-K606 PolarHBondContact O-N 3.38Å; L603-V826 HydrophobicContact CD1-CG2 4.36Å
604T90.4Very high80.5Confident5 Ų539.8 Ų39.83%0.03121%0.209CC..G310 helixtrans-68.2-23.9-175.552.40000113.4I520 F521 S523 L584 K606 F607I520-T604 VanDerWaalsContact O-CB 3.31Å; I520-T604 WeakPolarHBondContact O-CB 3.41Å; I520-T604 VanDerWaalsContact O-CG2 3.29Å; I520-T604 WeakPolarHBondContact O-CG2 3.38Å; I520-T604 PolarHBondContact O-OG1 3.35Å; F521-T604 VanDerWaalsContact C-OG1 3.24Å; F521-T604 WeakPolarHBondContact CA-OG1 3.24Å; F521-T604 PolarHBondContact O-OG1 3.18Å; S523-T604 VanDerWaalsContact CB-OG1 3.24Å; S523-T604 WeakPolarHBondContact CB-OG1 3.43Å; S523-T604 PolarHBondContact N-OG1 2.81Å; S523-T604 PolarHBondContact O-N 3.16Å; L584-T604 HydrophobicContact CD1-CG2 3.64Å; L584-T604 HydrophobicContact CD2-CG2 4.19Å; T604-K606 PolarHBondContact O-N 2.84Å; T604-K606 VanDerWaalsContact O-N 3.1Å; T604-F607 WeakPolarHBondContact O-CD2 3.37Å; T604-F607 PolarHBondContact O-N 2.96Å
605Y88Confident80.5Confident5 Ų538.2 Ų38.22%0.0220%0.199CC..G310 helixtrans-58.8-22.6174.1-175.9-112.7000113.5S523 R524 L603 F607 S608 D610 H611 I658S523-Y605 WeakPolarHBondContact O-CB 3.46Å; S523-Y605 PolarHBondContact O-N 3.37Å; S523-Y605 VanDerWaalsContact O-N 3.08Å; R524-Y605 HydrophobicContact CG-CD1 3.78Å; R524-Y605 HydrophobicContact CG-CD2 3.83Å; R524-Y605 HydrophobicContact CG-CE1 4.3Å; R524-Y605 HydrophobicContact CG-CE2 4.36Å; R524-Y605 HydrophobicContact CG-CG 3.53Å; L603-Y605 VanDerWaalsContact C-N 3.25Å; L603-Y605 PolarHBondContact O-N 2.89Å; Y605-F607 PolarHBondContact O-N 3.05Å; Y605-F607 VanDerWaalsContact O-N 3.11Å; Y605-S608 VanDerWaalsContact O-CB 3.24Å; Y605-S608 WeakPolarHBondContact O-CB 3.24Å; Y605-S608 PolarHBondContact O-N 3.43Å; Y605-D610 HydrophobicContact CE2-CB 3.78Å; Y605-D610 WeakPolarHBondContact CE2-OD2 3.41Å; Y605-D610 WeakPolarHBondContact OH-CB 3.43Å; Y605-H611 AromaticContact CD1-NE2 3.48Å; Y605-H611 WeakPolarHBondContact CD1-NE2 3.45Å; Y605-H611 AromaticContact CE1-NE2 3.14Å; Y605-H611 WeakPolarHBondContact CE1-NE2 3.42Å; Y605-I658 HydrophobicContact CE1-CD1 3.74Å; Y605-I658 VanDerWaalsContact OH-CD1 3.27Å; Y605-I658 WeakPolarHBondContact OH-CD1 3.01Å
606K88.3Confident81.5Confident6 Ų628.5 Ų28.53%0.02616%0.157CC..G310 helixtrans-63.5-13.8173.4-58.6-64.4-167.2146.50113.6S278 V327 G328 I329 G331 L603 T604S278-K606 WeakPolarHBondContact CB-O 3.33Å; S278-K606 PolarHBondContact OG-O 2.74Å; S278-K606 VanDerWaalsContact OG-O 3.12Å; V327-K606 HydrophobicContact CG1-CD 4.04Å; G328-K606 WeakPolarHBondContact O-CD 3.47Å; G328-K606 WeakPolarHBondContact O-CE 3.24Å; G328-K606 PolarHBondContact O-NZ 2.95Å; I329-K606 HydrophobicContact CD1-CB 4.21Å; I329-K606 WeakPolarHBondContact O-CE 3.43Å; I329-K606 PolarHBondContact O-NZ 3.43Å; G331-K606 PolarHBondContact O-NZ 3.42Å; L603-K606 HydrophobicContact CB-CG 4.15Å; L603-K606 WeakPolarHBondContact O-CB 3.38Å; L603-K606 VanDerWaalsContact O-CG 3.32Å; L603-K606 WeakPolarHBondContact O-CG 3.27Å; L603-K606 PolarHBondContact O-N 3.38Å; T604-K606 PolarHBondContact O-N 2.84Å; T604-K606 VanDerWaalsContact O-N 3.1Å
607F91.8Very high82.6Confident10 Ų1024 Ų244%0.04413%0.128CC..G310 helixtrans-104.514.4174.3-45.1-64.8000112.6I329 A370 T372 F412 L587 L602 T604 Y605I329-F607 HydrophobicContact CD1-CE1 3.79Å; I329-F607 HydrophobicContact CD1-CZ 4.04Å; A370-F607 HydrophobicContact CB-CD1 3.55Å; A370-F607 HydrophobicContact CB-CE1 3.53Å; T372-F607 WeakPolarHBondContact CG2-O 3.2Å; T372-F607 PolarHBondContact OG1-O 3.33Å; T372-F607 VanDerWaalsContact OG1-O 3.09Å; F412-F607 HydrophobicContact CD2-CB 4.37Å; F412-F607 HydrophobicContact CD2-CG 4.38Å; F412-F607 HydrophobicContact CE2-CD1 4.43Å; F412-F607 HydrophobicContact CE2-CG 4.31Å; F412-F607 HydrophobicContact CG-CB 4.3Å; F412-F607 HydrophobicContact CZ-CD2 4.44Å; L587-F607 HydrophobicContact CD1-CE1 4.18Å; L587-F607 HydrophobicContact CD1-CE2 3.87Å; L587-F607 HydrophobicContact CD1-CZ 3.58Å; L602-F607 HydrophobicContact CD1-CE2 4.27Å; L602-F607 HydrophobicContact CD1-CZ 4.02Å; L602-F607 HydrophobicContact CD2-CE2 3.9Å; L602-F607 HydrophobicContact CD2-CZ 4.05Å; L602-F607 HydrophobicContact CG-CE2 4.12Å; L602-F607 HydrophobicContact CG-CZ 4.32Å; T604-F607 WeakPolarHBondContact O-CD2 3.37Å; T604-F607 PolarHBondContact O-N 2.96Å; Y605-F607 PolarHBondContact O-N 3.05Å; Y605-F607 VanDerWaalsContact O-N 3.11Å
608S87.5Confident83.2Confident10 Ų1017.4 Ų17.47%0.0710%0.095CC..  trans-90.1145.8176.41790000112.3L280 Y605 D610L280-S608 WeakPolarHBondContact CD1-O 3.37Å; Y605-S608 VanDerWaalsContact O-CB 3.24Å; Y605-S608 WeakPolarHBondContact O-CB 3.24Å; Y605-S608 PolarHBondContact O-N 3.43Å; S608-D610 PolarHBondContact O-N 3.49Å; S608-D610 WeakPolarHBondContact OG-CB 3.44Å; S608-D610 PolarHBondContact OG-N 3.37Å; S608-D610 VanDerWaalsContact OG-N 3.08Å
609H86.2Confident83.3Confident0 Ų014.1 Ų14.10%07%0.074CC..THydrogen-bonded Turntrans-72.5-8.5169-85.6-166.6000114.1I281 T372 S373 D374 D414 H611 L612 E613I281-H609 PolarHBondContact O-CE1 2.97Å; I281-H609 PolarHBondContact O-NE2 2.96Å; T372-H609 PolarHBondContact O-NE2 2.9Å; S373-H609 VanDerWaalsContact CA-CE1 3.42Å; S373-H609 WeakPolarHBondContact CA-CE1 3.33Å; S373-H609 WeakPolarHBondContact CA-NE2 3.28Å; D374-H609 PolarHBondContact N-CE1 3.02Å; D374-H609 IonicContact OD1-CE1 3.64Å; D374-H609 IonicContact OD1-CG 3.82Å; D374-H609 IonicContact OD1-ND1 3.56Å; D374-H609 PolarHBondContact OD1-ND1 3.12Å; D414-H609 HydrophobicContact CB-CB 3.95Å; D414-H609 PolarHBondContact OD1-N 3.5Å; H609-H611 PolarHBondContact O-N 3.07Å; H609-H611 VanDerWaalsContact O-N 3.11Å; H609-L612 PolarHBondContact O-N 3.43Å; H609-E613 WeakPolarHBondContact O-CG 3.37Å; H609-E613 PolarHBondContact O-N 3.4Å
610D80.9Confident83Confident6 Ų619.4 Ų19.43%0.0329%0.093CC..Hα-helixtrans-54.3-33.2177.7-75.6-5.6000112.1R524 Y605 S608 L612 E613 L614 R665R524-D610 IonicContact NH2-OD2 2.9Å; R524-D610 PolarHBondContact NH2-OD2 3.37Å; Y605-D610 HydrophobicContact CE2-CB 3.78Å; Y605-D610 WeakPolarHBondContact CE2-OD2 3.41Å; Y605-D610 WeakPolarHBondContact OH-CB 3.43Å; S608-D610 PolarHBondContact O-N 3.49Å; S608-D610 WeakPolarHBondContact OG-CB 3.44Å; S608-D610 PolarHBondContact OG-N 3.37Å; S608-D610 VanDerWaalsContact OG-N 3.08Å; D610-L612 VanDerWaalsContact C-N 3.33Å; D610-L612 PolarHBondContact O-N 3.16Å; D610-E613 PolarHBondContact O-N 3.01Å; D610-L614 WeakPolarHBondContact O-CB 3.48Å; D610-L614 VanDerWaalsContact O-CD1 3.24Å; D610-L614 WeakPolarHBondContact O-CD1 3.49Å; D610-L614 PolarHBondContact O-N 3.23Å; D610-R665 IonicContact OD1-CZ 2.75Å; D610-R665 IonicContact OD1-NE 3.88Å; D610-R665 IonicContact OD1-NH1 2.87Å; D610-R665 PolarHBondContact OD1-NH1 3.31Å
611H81.8Confident82.7Confident8 Ų822.2 Ų22.24%0.03710%0.099CC..Hα-helixtrans-63-35.1175.4-63.9-71.7000113.8L280 M325 V327 R334 Y605 H609 L614 E825L280-H611 HydrophobicContact CD1-CB 3.91Å; M325-H611 HydrophobicContact SD-CB 4.49Å; V327-H611 HydrophobicContact CG2-CB 3.88Å; R334-H611 WeakPolarHBondContact CD-CE1 3.46Å; R334-H611 PolarHBondContact NH1-CE1 3.38Å; Y605-H611 AromaticContact CD1-NE2 3.48Å; Y605-H611 WeakPolarHBondContact CD1-NE2 3.45Å; Y605-H611 AromaticContact CE1-NE2 3.14Å; Y605-H611 WeakPolarHBondContact CE1-NE2 3.42Å; H609-H611 PolarHBondContact O-N 3.07Å; H609-H611 VanDerWaalsContact O-N 3.11Å; H611-L614 VanDerWaalsContact O-CB 3.31Å; H611-L614 WeakPolarHBondContact O-CB 3.45Å; H611-E825 IonicContact NE2-OE1 2.99Å; H611-E825 PolarHBondContact NE2-OE1 3.12Å; H611-E825 VanDerWaalsContact NE2-OE1 3.16Å
612L85.7Confident82.1Confident0 Ų020.9 Ų20.90%010%0.097CC..Hα-helixtrans-80.5-37.6178.4-171.7155.7000110.2L280 K282 L323 M325 H609 D610 L614 F615 L616L280-L612 HydrophobicContact CB-CD1 4.15Å; L280-L612 HydrophobicContact CD1-CB 4.23Å; K282-L612 HydrophobicContact CB-CD1 3.8Å; K282-L612 HydrophobicContact CB-CD2 3.67Å; K282-L612 HydrophobicContact CB-CG 4.44Å; K282-L612 HydrophobicContact CD-CD2 3.6Å; K282-L612 HydrophobicContact CG-CD2 4.18Å; L323-L612 HydrophobicContact CD2-CD1 4.3Å; L323-L612 HydrophobicContact CD2-CD2 4.13Å; L323-L612 HydrophobicContact CD2-CG 4.01Å; L323-L612 HydrophobicContact CG-CD1 4.45Å; M325-L612 HydrophobicContact CB-CD1 4.42Å; M325-L612 HydrophobicContact SD-CB 4.42Å; H609-L612 PolarHBondContact O-N 3.43Å; D610-L612 VanDerWaalsContact C-N 3.33Å; D610-L612 PolarHBondContact O-N 3.16Å; L612-L614 VanDerWaalsContact C-N 3.33Å; L612-L614 PolarHBondContact O-N 3.4Å; L612-F615 WeakPolarHBondContact O-CB 3.49Å; L612-F615 PolarHBondContact O-N 3.42Å; L612-F615 VanDerWaalsContact O-N 3.12Å; L612-L616 HydrophobicContact CD2-CD1 3.56Å; L612-L616 HydrophobicContact CD2-CG 3.9Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 2.87Å
613E79.6Confident81.3Confident18 Ų1822.2 Ų22.28%0.08410%0.104CC..Hα-helixtrans-66.2-35.3174.5-58.2-86.1-14400112K282 H609 D610 F615 L616 N617 R665K282-E613 IonicContact NZ-OE1 2.68Å; K282-E613 PolarHBondContact NZ-OE1 2.87Å; K282-E613 IonicContact NZ-OE2 2.78Å; K282-E613 PolarHBondContact NZ-OE2 3.21Å; H609-E613 WeakPolarHBondContact O-CG 3.37Å; H609-E613 PolarHBondContact O-N 3.4Å; D610-E613 PolarHBondContact O-N 3.01Å; E613-F615 VanDerWaalsContact C-N 3.26Å; E613-F615 PolarHBondContact O-N 2.62Å; E613-L616 PolarHBondContact O-N 3.13Å; E613-N617 WeakPolarHBondContact O-CB 3.22Å; E613-N617 VanDerWaalsContact O-CG 3.29Å; E613-N617 PolarHBondContact O-N 3.49Å; E613-N617 PolarHBondContact O-ND2 2.8Å; E613-R665 IonicContact OE1-CZ 3.34Å; E613-R665 IonicContact OE1-NE 3.35Å; E613-R665 PolarHBondContact OE1-NE 3.4Å; E613-R665 VanDerWaalsContact OE1-NE 3.11Å; E613-R665 IonicContact OE1-NH2 2.8Å; E613-R665 PolarHBondContact OE1-NH2 2.97Å
614L75.8Confident79.8Confident1 Ų127.8 Ų27.81%0.00514%0.138CC..Hα-helixtrans-48.2-51.5166.9-114.974000110.6D610 H611 L612 N617 M618 V656 I658 I661D610-L614 WeakPolarHBondContact O-CB 3.48Å; D610-L614 VanDerWaalsContact O-CD1 3.24Å; D610-L614 WeakPolarHBondContact O-CD1 3.49Å; D610-L614 PolarHBondContact O-N 3.23Å; H611-L614 VanDerWaalsContact O-CB 3.31Å; H611-L614 WeakPolarHBondContact O-CB 3.45Å; L612-L614 VanDerWaalsContact C-N 3.33Å; L612-L614 PolarHBondContact O-N 3.4Å; L614-N617 PolarHBondContact O-N 3.39Å; L614-M618 WeakPolarHBondContact O-CG 3.22Å; L614-M618 PolarHBondContact O-N 2.77Å; L614-M618 VanDerWaalsContact O-N 3.16Å; L614-V656 HydrophobicContact CD2-CB 4.21Å; L614-I658 HydrophobicContact CD1-CG1 4.35Å; L614-I661 HydrophobicContact CD1-CB 4.07Å; L614-I661 HydrophobicContact CD1-CD1 3.72Å; L614-I661 HydrophobicContact CD1-CG1 3.69Å; L614-I661 HydrophobicContact CD1-CG2 4.16Å; L614-I661 HydrophobicContact CD2-CD1 3.37Å; L614-I661 HydrophobicContact CD2-CG1 3.87Å; L614-I661 HydrophobicContact CG-CD1 4.13Å; L614-I661 HydrophobicContact CG-CG1 4.27Å
615F80.6Confident77.9Confident4 Ų433.7 Ų33.72%0.01817%0.174CC..Hα-helixtrans-70.7-39.8-178.4178.4-100.4000112.5L323 M325 P336 L612 E613 N617 M618 L619 Y638 L641 F652L323-F615 HydrophobicContact CD1-CE1 4.27Å; L323-F615 HydrophobicContact CD2-CD1 3.79Å; L323-F615 HydrophobicContact CD2-CE1 3.92Å; M325-F615 HydrophobicContact CE-CB 3.71Å; M325-F615 HydrophobicContact CE-CD1 4.06Å; M325-F615 HydrophobicContact CE-CD2 4.16Å; M325-F615 HydrophobicContact CE-CG 3.72Å; P336-F615 HydrophobicContact CB-CE1 4.2Å; P336-F615 HydrophobicContact CB-CE2 4.44Å; P336-F615 HydrophobicContact CB-CZ 4.03Å; P336-F615 HydrophobicContact CG-CE1 4.48Å; P336-F615 HydrophobicContact CG-CE2 3.89Å; P336-F615 HydrophobicContact CG-CZ 3.82Å; L612-F615 WeakPolarHBondContact O-CB 3.49Å; L612-F615 PolarHBondContact O-N 3.42Å; L612-F615 VanDerWaalsContact O-N 3.12Å; E613-F615 VanDerWaalsContact C-N 3.26Å; E613-F615 PolarHBondContact O-N 2.62Å; F615-N617 VanDerWaalsContact C-N 3.31Å; F615-N617 PolarHBondContact O-N 2.99Å; F615-M618 HydrophobicContact CB-CE 4.36Å; F615-M618 HydrophobicContact CD2-CE 4.19Å; F615-M618 PolarHBondContact O-N 2.83Å; F615-L619 HydrophobicContact CD1-CD1 3.83Å; F615-L619 HydrophobicContact CD1-CG 4.47Å; F615-L619 HydrophobicContact CE1-CD1 3.45Å; F615-L619 VanDerWaalsContact CE1-CD1 3.45Å; F615-L619 HydrophobicContact CE1-CG 4.15Å; F615-L619 HydrophobicContact CZ-CD1 4.06Å; F615-L619 HydrophobicContact CZ-CG 4.34Å; F615-L619 PolarHBondContact O-N 2.77Å; F615-Y638 HydrophobicContact CE1-CD2 4.04Å; F615-Y638 AromaticContact CE1-CE2 3.9Å; F615-Y638 HydrophobicContact CE1-CE2 3.9Å; F615-Y638 AromaticContact CZ-CD2 3.77Å; F615-Y638 HydrophobicContact CZ-CD2 3.77Å; F615-Y638 AromaticContact CZ-CE2 3.63Å; F615-Y638 HydrophobicContact CZ-CE2 3.63Å; F615-L641 HydrophobicContact CD2-CD1 4.29Å; F615-L641 HydrophobicContact CE2-CD1 3.87Å; F615-L641 HydrophobicContact CZ-CD1 4.35Å; F615-F652 AromaticContact CD2-CE1 3.93Å; F615-F652 HydrophobicContact CD2-CE1 3.93Å; F615-F652 HydrophobicContact CD2-CZ 4.34Å; F615-F652 AromaticContact CE2-CE1 3.85Å; F615-F652 HydrophobicContact CE2-CE1 3.85Å; F615-F652 AromaticContact CE2-CZ 3.87Å; F615-F652 HydrophobicContact CE2-CZ 3.87Å
616L81.5Confident76.1Confident7 Ų737.1 Ų37.14%0.03720%0.199CC..Hα-helixtrans-63.3-35.2173.3-67.1178.5000112.7K282 I284 L323 L612 E613 L619 R620K282-L616 HydrophobicContact CD-CD1 4.07Å; I284-L616 HydrophobicContact CD1-CD1 4.46Å; I284-L616 HydrophobicContact CD1-CD2 3.52Å; I284-L616 HydrophobicContact CG1-CD1 4.28Å; I284-L616 HydrophobicContact CG1-CD2 4.11Å; L323-L616 HydrophobicContact CD2-CD2 4.11Å; L612-L616 HydrophobicContact CD2-CD1 3.56Å; L612-L616 HydrophobicContact CD2-CG 3.9Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 2.87Å; E613-L616 PolarHBondContact O-N 3.13Å; L616-L619 HydrophobicContact CD2-CD1 4.05Å; L616-L619 WeakPolarHBondContact O-CB 3.47Å; L616-L619 PolarHBondContact O-N 3.36Å; L616-R620 WeakPolarHBondContact O-CB 3.28Å; L616-R620 VanDerWaalsContact O-CG 3.26Å; L616-R620 WeakPolarHBondContact O-CG 3.39Å; L616-R620 PolarHBondContact O-N 3.41Å
617N76.1Confident74.8Confident33 Ų3343 Ų4318%0.17624%0.241CC..Hα-helixtrans-68.4-38.8174.9-73.4-20.1000111.8E613 L614 F615 L619 R620 Q621E613-N617 WeakPolarHBondContact O-CB 3.22Å; E613-N617 VanDerWaalsContact O-CG 3.29Å; E613-N617 PolarHBondContact O-N 3.49Å; E613-N617 PolarHBondContact O-ND2 2.8Å; L614-N617 PolarHBondContact O-N 3.39Å; F615-N617 VanDerWaalsContact C-N 3.31Å; F615-N617 PolarHBondContact O-N 2.99Å; N617-L619 VanDerWaalsContact C-N 3.35Å; N617-R620 PolarHBondContact O-N 2.91Å; N617-R620 PolarHBondContact OD1-NH1 3.27Å; N617-Q621 WeakPolarHBondContact O-CG 3.42Å; N617-Q621 PolarHBondContact O-N 3Å
618M74.9Confident73.8Confident10 Ų1044.4 Ų44.45%0.04925%0.252CS..Hα-helixtrans-64-38.4171.2-66.1-173.9-63.200112.1L614 F615 Q621 V622 L641 Y645 F652L614-M618 WeakPolarHBondContact O-CG 3.22Å; L614-M618 PolarHBondContact O-N 2.77Å; L614-M618 VanDerWaalsContact O-N 3.16Å; F615-M618 HydrophobicContact CB-CE 4.36Å; F615-M618 HydrophobicContact CD2-CE 4.19Å; F615-M618 PolarHBondContact O-N 2.83Å; M618-Q621 PolarHBondContact O-N 2.79Å; M618-V622 PolarHBondContact O-N 3.33Å; M618-L641 HydrophobicContact CB-CD1 3.96Å; M618-L641 HydrophobicContact CB-CD2 4.31Å; M618-Y645 PolarHBondContact SD-OH 3.36Å; M618-F652 HydrophobicContact CE-CD1 4.16Å; M618-F652 HydrophobicContact CE-CE1 4.42Å
619L78.6Confident73.6Confident3 Ų344.7 Ų44.72%0.01625%0.254CS..Hα-helixtrans-62.5-46.8172.7-76.5169.4000111.5F615 L616 N617 Q621 V622 L623 F634 A637 L641F615-L619 HydrophobicContact CD1-CD1 3.83Å; F615-L619 HydrophobicContact CD1-CG 4.47Å; F615-L619 HydrophobicContact CE1-CD1 3.45Å; F615-L619 VanDerWaalsContact CE1-CD1 3.45Å; F615-L619 HydrophobicContact CE1-CG 4.15Å; F615-L619 HydrophobicContact CZ-CD1 4.06Å; F615-L619 HydrophobicContact CZ-CG 4.34Å; F615-L619 PolarHBondContact O-N 2.77Å; L616-L619 HydrophobicContact CD2-CD1 4.05Å; L616-L619 WeakPolarHBondContact O-CB 3.47Å; L616-L619 PolarHBondContact O-N 3.36Å; N617-L619 VanDerWaalsContact C-N 3.35Å; L619-Q621 VanDerWaalsContact C-N 3.28Å; L619-Q621 PolarHBondContact O-N 2.9Å; L619-V622 PolarHBondContact O-N 3.2Å; L619-L623 VanDerWaalsContact O-CG 3.31Å; L619-L623 WeakPolarHBondContact O-CG 3.45Å; L619-L623 PolarHBondContact O-N 2.9Å; L619-F634 HydrophobicContact CD1-CE2 4.01Å; L619-F634 HydrophobicContact CD1-CZ 4.2Å; L619-A637 HydrophobicContact CD2-CB 3.9Å; L619-L641 HydrophobicContact CB-CD1 4.44Å; L619-L641 HydrophobicContact CD2-CD1 3.55Å; L619-L641 HydrophobicContact CD2-CG 4.18Å; L619-L641 HydrophobicContact CG-CD1 3.64Å
620R76.8Confident73.7Confident126 Ų12645.5 Ų45.548%0.47526%0.259SS..Hα-helixtrans-60.2-34.8176.8-72.9168.1-175.7142.5-2.4112.8L616 N617 V622 L623L616-R620 WeakPolarHBondContact O-CB 3.28Å; L616-R620 VanDerWaalsContact O-CG 3.26Å; L616-R620 WeakPolarHBondContact O-CG 3.39Å; L616-R620 PolarHBondContact O-N 3.41Å; N617-R620 PolarHBondContact O-N 2.91Å; N617-R620 PolarHBondContact OD1-NH1 3.27Å; R620-V622 VanDerWaalsContact C-N 3.3Å; R620-V622 PolarHBondContact O-N 2.88Å; R620-L623 PolarHBondContact O-N 2.82Å; R620-L623 VanDerWaalsContact O-O 3.13Å
621Q72.9Confident74Confident146 Ų14645.3 Ų45.368%0.68226%0.258SS*.Hα-helixtrans-68.5-27174.7-74.1172-400113.3N617 M618 L619N617-Q621 WeakPolarHBondContact O-CG 3.42Å; N617-Q621 PolarHBondContact O-N 3Å; M618-Q621 PolarHBondContact O-N 2.79Å; L619-Q621 VanDerWaalsContact C-N 3.28Å; L619-Q621 PolarHBondContact O-N 2.9Å
622V72Confident74.1Confident32 Ų3246.5 Ų46.519%0.19426%0.264CS..Hα-helixtrans-84.4-28.8173.4176.80000111.5M618 L619 R620 V624 A637 N640 L641M618-V622 PolarHBondContact O-N 3.33Å; L619-V622 PolarHBondContact O-N 3.2Å; R620-V622 VanDerWaalsContact C-N 3.3Å; R620-V622 PolarHBondContact O-N 2.88Å; V622-V624 PolarHBondContact O-N 3.29Å; V622-V624 VanDerWaalsContact O-N 3.15Å; V622-A637 HydrophobicContact CB-CB 4.35Å; V622-A637 HydrophobicContact CG1-CB 4.05Å; V622-N640 HydrophobicContact CG1-CB 4.07Å; V622-L641 HydrophobicContact CG2-CD2 3.81Å; V622-L641 HydrophobicContact CG2-CG 4.45Å
623L70.1Confident74.1Confident30 Ų3047.9 Ų47.916%0.15728%0.275CS..SBendtrans-78.388.8175.9-71.2162.6000111.4L619 R620 T625 P629 A633 A637L619-L623 VanDerWaalsContact O-CG 3.31Å; L619-L623 WeakPolarHBondContact O-CG 3.45Å; L619-L623 PolarHBondContact O-N 2.9Å; R620-L623 PolarHBondContact O-N 2.82Å; R620-L623 VanDerWaalsContact O-O 3.13Å; L623-T625 PolarHBondContact O-N 2.86Å; L623-P629 HydrophobicContact CD1-CB 3.93Å; L623-P629 HydrophobicContact CD1-CG 4.26Å; L623-P629 HydrophobicContact CD2-CB 4.13Å; L623-A633 HydrophobicContact CD2-CB 3.72Å; L623-A633 WeakPolarHBondContact CD2-O 3.47Å; L623-A637 HydrophobicContact CD1-CB 4.35Å; L623-A637 HydrophobicContact CD2-CB 3.81Å; L623-A637 HydrophobicContact CG-CB 3.72Å
624V55.4Low74.5Confident123 Ų12347.1 Ų47.175%0.74527%0.272SS*.  trans-63123169.2-175.90000109.4V622V622-V624 PolarHBondContact O-N 3.29Å; V622-V624 VanDerWaalsContact O-N 3.15Å
625T50.6Low75Confident129 Ų12949.1 Ų49.179%0.79128%0.281SS*.SBendtrans58.480.2170.251.70000118L623L623-T625 PolarHBondContact O-N 2.86Å
626S51.4Low75.2Confident77 Ų7753.8 Ų53.854%0.53830%0.301SS..  trans-179.6153141.735.90000111.9S628S626-S628 PolarHBondContact OG-O 3.43Å
627S60.3Low75.3Confident129 Ų12953.6 Ų53.690%0.90230%0.301SS*.SBendtrans-75.8-25.4173.449.70000113.3
628S71.9Confident75.8Confident41 Ų4152.3 Ų52.329%0.28729%0.293SS..SBendtrans-129.7119.917349.40000110.3S626S626-S628 PolarHBondContact OG-O 3.43Å
629P83.5Confident76.2Confident15 Ų1555.4 Ų55.410%0.09731%0.307CS..  trans-74.5154.2-179.729.4-32.4000111.7L286 K287 L623 A633 F634L286-P629 WeakPolarHBondContact CA-O 3.39Å; L286-P629 HydrophobicContact CD2-CG 3.98Å; L286-P629 WeakPolarHBondContact CD2-O 3.45Å; K287-P629 PolarHBondContact N-O 2.81Å; L623-P629 HydrophobicContact CD1-CB 3.93Å; L623-P629 HydrophobicContact CD1-CG 4.26Å; L623-P629 HydrophobicContact CD2-CB 4.13Å; P629-A633 HydrophobicContact CB-CB 4.45Å; P629-F634 HydrophobicContact CB-CB 4.38Å; P629-F634 HydrophobicContact CG-CB 4.5Å; P629-F634 HydrophobicContact CG-CD2 4.25Å
630T86.6Confident76.2Confident17 Ų1758.5 Ų58.510%0.10432%0.324CS..  trans-81.3163164.662.50000110.3K287 Q289 M632 A633 F634K287-T630 HydrophobicContact CB-CG2 4.17Å; K287-T630 HydrophobicContact CD-CG2 4.31Å; Q289-T630 HydrophobicContact CB-CG2 4.11Å; T630-M632 VanDerWaalsContact C-N 3.33Å; T630-M632 PolarHBondContact O-N 3.39Å; T630-A633 PolarHBondContact O-N 3.39Å; T630-A633 VanDerWaalsContact O-N 3.14Å; T630-A633 WeakPolarHBondContact OG1-CB 3.39Å; T630-A633 PolarHBondContact OG1-N 3.26Å; T630-F634 WeakPolarHBondContact O-CB 3.49Å; T630-F634 PolarHBondContact O-N 3.31Å
631C87.1Confident76.3Confident3 Ų352.7 Ų52.72%0.0230%0.303CS..Hα-helixtrans-52.3-49.4177.7-56.40000112.4L286 F341 A633 F634 Q635L286-C631 VanDerWaalsContact CD1-SG 3.57Å; F341-C631 HydrophobicContact CD2-CB 4.32Å; F341-C631 HydrophobicContact CE1-CB 4.15Å; F341-C631 HydrophobicContact CE2-CB 3.92Å; F341-C631 HydrophobicContact CZ-CB 3.83Å; F341-C631 WeakPolarHBondContact CZ-O 3.26Å; C631-A633 PolarHBondContact O-N 2.87Å; C631-F634 PolarHBondContact O-N 2.9Å; C631-Q635 WeakPolarHBondContact O-CB 3.45Å; C631-Q635 PolarHBondContact O-N 3.35Å
632M84.4Confident76.3Confident32 Ų3246.4 Ų46.416%0.15827%0.273CS..Hα-helixtrans-62.2-42.3178.5-180177.958.900112.1H291 T630 K636H291-M632 HydrophobicContact CB-CE 3.71Å; H291-M632 HydrophobicContact CB-SD 4.28Å; T630-M632 VanDerWaalsContact C-N 3.33Å; T630-M632 PolarHBondContact O-N 3.39Å; M632-K636 HydrophobicContact CG-CD 3.93Å; M632-K636 WeakPolarHBondContact O-CB 3.19Å; M632-K636 WeakPolarHBondContact O-CG 3.42Å; M632-K636 PolarHBondContact O-N 2.95Å; M632-K636 PolarHBondContact SD-NZ 2.87Å
633A85.4Confident76.2Confident29 Ų2947.1 Ų47.124%0.2428%0.278CS..Hα-helixtrans-65.2-44.3178.400000111.1L623 P629 T630 C631 K636 A637L623-A633 HydrophobicContact CD2-CB 3.72Å; L623-A633 WeakPolarHBondContact CD2-O 3.47Å; P629-A633 HydrophobicContact CB-CB 4.45Å; T630-A633 PolarHBondContact O-N 3.39Å; T630-A633 VanDerWaalsContact O-N 3.14Å; T630-A633 WeakPolarHBondContact OG1-CB 3.39Å; T630-A633 PolarHBondContact OG1-N 3.26Å; C631-A633 PolarHBondContact O-N 2.87Å; A633-K636 PolarHBondContact O-N 3.25Å; A633-A637 WeakPolarHBondContact O-CB 3.24Å; A633-A637 PolarHBondContact O-N 3.33Å
634F88.4Confident75.9Confident3 Ų353.3 Ų53.31%0.01330%0.299CS..Hα-helixtrans-59.8-48.9175.8-174.8-85.4000111.7I284 L286 T321 Y339 F341 L619 P629 T630 C631 K636 A637 Y638I284-F634 HydrophobicContact CD1-CE2 4.04Å; I284-F634 HydrophobicContact CD1-CZ 4.27Å; L286-F634 HydrophobicContact CD2-CB 4.38Å; T321-F634 HydrophobicContact CG2-CD1 4.36Å; T321-F634 HydrophobicContact CG2-CE1 3.8Å; T321-F634 HydrophobicContact CG2-CZ 3.93Å; Y339-F634 HydrophobicContact CD1-CE1 4.3Å; Y339-F634 HydrophobicContact CD2-CD1 4.13Å; Y339-F634 AromaticContact CD2-CE1 3.71Å; Y339-F634 HydrophobicContact CD2-CE1 3.71Å; Y339-F634 HydrophobicContact CE2-CD1 4.17Å; Y339-F634 HydrophobicContact CE2-CE1 4.14Å; Y339-F634 AromaticContact CG-CE1 3.81Å; Y339-F634 HydrophobicContact CG-CE1 3.81Å; F341-F634 AromaticContact CE1-CD1 3.99Å; F341-F634 HydrophobicContact CE1-CD1 3.99Å; F341-F634 HydrophobicContact CE1-CG 4.49Å; F341-F634 HydrophobicContact CZ-CD1 4.29Å; L619-F634 HydrophobicContact CD1-CE2 4.01Å; L619-F634 HydrophobicContact CD1-CZ 4.2Å; P629-F634 HydrophobicContact CB-CB 4.38Å; P629-F634 HydrophobicContact CG-CB 4.5Å; P629-F634 HydrophobicContact CG-CD2 4.25Å; T630-F634 WeakPolarHBondContact O-CB 3.49Å; T630-F634 PolarHBondContact O-N 3.31Å; C631-F634 PolarHBondContact O-N 2.9Å; F634-K636 PolarHBondContact O-N 2.84Å; F634-A637 PolarHBondContact O-N 2.58Å; F634-Y638 HydrophobicContact CE1-CD2 4.23Å; F634-Y638 HydrophobicContact CZ-CD2 4.48Å; F634-Y638 WeakPolarHBondContact O-CB 3.33Å; F634-Y638 PolarHBondContact O-N 2.97Å
635Q87Confident76.1Confident43 Ų4350 Ų5020%0.20127%0.274CS..Hα-helixtrans-61.3-45.3178.7175.5166.910.800112P251 Y339 F341 C631 Y638 H639P251-Q635 PolarHBondContact O-NE2 2.96Å; Y339-Q635 WeakPolarHBondContact OH-CG 3.48Å; F341-Q635 HydrophobicContact CZ-CB 4.35Å; C631-Q635 WeakPolarHBondContact O-CB 3.45Å; C631-Q635 PolarHBondContact O-N 3.35Å; Q635-Y638 PolarHBondContact O-N 3.27Å; Q635-H639 WeakPolarHBondContact O-CB 3.44Å; Q635-H639 PolarHBondContact O-N 3Å
636K83.9Confident76.1Confident102 Ų10249.1 Ų49.144%0.44326%0.259SS..Hα-helixtrans-63.4-42.7176.8-73.6176.1177.8174.60111.8M632 A633 F634 H639 N640M632-K636 HydrophobicContact CG-CD 3.93Å; M632-K636 WeakPolarHBondContact O-CB 3.19Å; M632-K636 WeakPolarHBondContact O-CG 3.42Å; M632-K636 PolarHBondContact O-N 2.95Å; M632-K636 PolarHBondContact SD-NZ 2.87Å; A633-K636 PolarHBondContact O-N 3.25Å; F634-K636 PolarHBondContact O-N 2.84Å; K636-H639 PolarHBondContact O-N 3.43Å; K636-N640 WeakPolarHBondContact O-CB 3.25Å; K636-N640 PolarHBondContact O-N 2.75Å; K636-N640 PolarHBondContact O-ND2 2.98Å
637A84.3Confident75.5Confident3 Ų354.4 Ų54.43%0.02527%0.272CS..Hα-helixtrans-65-42176.200000112.5L619 V622 L623 A633 F634 N640 L641L619-A637 HydrophobicContact CD2-CB 3.9Å; V622-A637 HydrophobicContact CB-CB 4.35Å; V622-A637 HydrophobicContact CG1-CB 4.05Å; L623-A637 HydrophobicContact CD1-CB 4.35Å; L623-A637 HydrophobicContact CD2-CB 3.81Å; L623-A637 HydrophobicContact CG-CB 3.72Å; A633-A637 WeakPolarHBondContact O-CB 3.24Å; A633-A637 PolarHBondContact O-N 3.33Å; F634-A637 PolarHBondContact O-N 2.58Å; A637-N640 PolarHBondContact O-N 2.88Å; A637-L641 PolarHBondContact O-N 3.21Å; A637-L641 VanDerWaalsContact O-N 3.07Å
638Y86.4Confident74.5Confident5 Ų553.8 Ų53.82%0.0226%0.255CS..Hα-helixtrans-61.9-47.2175.7-170.6-75.9000111.5L323 P336 Y339 F615 F634 Q635 N640 L641 E642L323-Y638 HydrophobicContact CD1-CE2 4.08Å; P336-Y638 HydrophobicContact CB-CE2 4.09Å; P336-Y638 WeakPolarHBondContact CB-OH 3.31Å; P336-Y638 HydrophobicContact CG-CE2 4.32Å; P336-Y638 WeakPolarHBondContact CG-OH 3.49Å; P336-Y638 PolarHBondContact O-OH 3.28Å; Y339-Y638 HydrophobicContact CD1-CD1 4.14Å; Y339-Y638 AromaticContact CD1-CD2 3.79Å; Y339-Y638 HydrophobicContact CD1-CD2 3.79Å; Y339-Y638 HydrophobicContact CD1-CE1 4.06Å; Y339-Y638 AromaticContact CD1-CE2 3.68Å; Y339-Y638 HydrophobicContact CD1-CE2 3.68Å; Y339-Y638 HydrophobicContact CD1-CG 4.02Å; Y339-Y638 AromaticContact CD1-CZ 3.82Å; Y339-Y638 AromaticContact CE1-CD1 3.72Å; Y339-Y638 HydrophobicContact CE1-CD1 3.72Å; Y339-Y638 HydrophobicContact CE1-CD2 4.07Å; Y339-Y638 AromaticContact CE1-CE1 3.94Å; Y339-Y638 HydrophobicContact CE1-CE1 3.94Å; Y339-Y638 HydrophobicContact CE1-CE2 4.25Å; Y339-Y638 AromaticContact CE1-CG 3.8Å; Y339-Y638 HydrophobicContact CE1-CG 3.8Å; F615-Y638 HydrophobicContact CE1-CD2 4.04Å; F615-Y638 AromaticContact CE1-CE2 3.9Å; F615-Y638 HydrophobicContact CE1-CE2 3.9Å; F615-Y638 AromaticContact CZ-CD2 3.77Å; F615-Y638 HydrophobicContact CZ-CD2 3.77Å; F615-Y638 AromaticContact CZ-CE2 3.63Å; F615-Y638 HydrophobicContact CZ-CE2 3.63Å; F634-Y638 HydrophobicContact CE1-CD2 4.23Å; F634-Y638 HydrophobicContact CZ-CD2 4.48Å; F634-Y638 WeakPolarHBondContact O-CB 3.33Å; F634-Y638 PolarHBondContact O-N 2.97Å; Q635-Y638 PolarHBondContact O-N 3.27Å; Y638-N640 VanDerWaalsContact C-N 3.35Å; Y638-N640 PolarHBondContact O-N 3.38Å; Y638-L641 PolarHBondContact O-N 3.02Å; Y638-E642 PolarHBondContact O-N 3.44Å
639H82.8Confident72.7Confident75 Ų7558.8 Ų58.835%0.34728%0.278SS..Hα-helixtrans-58.2-46.1175.5179.728000112.1P251 Q635 K636 L641 E642 T643P251-H639 HydrophobicContact CB-CB 4.01Å; P251-H639 HydrophobicContact CG-CB 4.06Å; P251-H639 WeakPolarHBondContact CG-ND1 3.32Å; Q635-H639 WeakPolarHBondContact O-CB 3.44Å; Q635-H639 PolarHBondContact O-N 3Å; K636-H639 PolarHBondContact O-N 3.43Å; H639-L641 VanDerWaalsContact C-N 3.29Å; H639-L641 PolarHBondContact O-N 2.92Å; H639-E642 PolarHBondContact O-N 3.31Å; H639-E642 VanDerWaalsContact O-N 3.17Å; H639-T643 WeakPolarHBondContact CE1-CG2 3.32Å; H639-T643 PolarHBondContact O-N 2.86Å; H639-T643 PolarHBondContact O-OG1 2.9Å
640N79.9Confident70.5Confident68 Ų6864.4 Ų64.436%0.36430%0.304SS..Hα-helixtrans-63.3-30.4179.3-74.7-15.4000113.3V622 K636 A637 Y638 T643 R644V622-N640 HydrophobicContact CG1-CB 4.07Å; K636-N640 WeakPolarHBondContact O-CB 3.25Å; K636-N640 PolarHBondContact O-N 2.75Å; K636-N640 PolarHBondContact O-ND2 2.98Å; A637-N640 PolarHBondContact O-N 2.88Å; Y638-N640 VanDerWaalsContact C-N 3.35Å; Y638-N640 PolarHBondContact O-N 3.38Å; N640-T643 PolarHBondContact O-OG1 3.21Å; N640-R644 VanDerWaalsContact O-CD 3.27Å; N640-R644 WeakPolarHBondContact O-CD 3.46Å; N640-R644 WeakPolarHBondContact O-CG 3.37Å; N640-R644 PolarHBondContact O-N 3.38Å
641L77.8Confident68.4Low5 Ų564.8 Ų64.83%0.02631%0.306CS..Hα-helixtrans-73.1-49.9169.7-68.2-173.8000110.8F615 M618 L619 V622 A637 Y638 H639 T643 R644 Y645F615-L641 HydrophobicContact CD2-CD1 4.29Å; F615-L641 HydrophobicContact CE2-CD1 3.87Å; F615-L641 HydrophobicContact CZ-CD1 4.35Å; M618-L641 HydrophobicContact CB-CD1 3.96Å; M618-L641 HydrophobicContact CB-CD2 4.31Å; L619-L641 HydrophobicContact CB-CD1 4.44Å; L619-L641 HydrophobicContact CD2-CD1 3.55Å; L619-L641 HydrophobicContact CD2-CG 4.18Å; L619-L641 HydrophobicContact CG-CD1 3.64Å; V622-L641 HydrophobicContact CG2-CD2 3.81Å; V622-L641 HydrophobicContact CG2-CG 4.45Å; A637-L641 PolarHBondContact O-N 3.21Å; A637-L641 VanDerWaalsContact O-N 3.07Å; Y638-L641 PolarHBondContact O-N 3.02Å; H639-L641 VanDerWaalsContact C-N 3.29Å; H639-L641 PolarHBondContact O-N 2.92Å; L641-T643 VanDerWaalsContact C-N 3.27Å; L641-T643 PolarHBondContact O-N 2.86Å; L641-R644 PolarHBondContact O-N 3.21Å; L641-R644 VanDerWaalsContact O-N 3.13Å; L641-Y645 HydrophobicContact CD2-CE2 4.4Å; L641-Y645 WeakPolarHBondContact O-CD2 3.5Å; L641-Y645 PolarHBondContact O-N 3.15Å
642E74.1Confident66.4Low13 Ų1365.5 Ų65.56%0.06131%0.309CS..Hα-helixtrans-56.4-39.9-178.1-170-175153.700112.5N256 Y638 H639 K646N256-E642 PolarHBondContact ND2-OE1 3.18Å; N256-E642 PolarHBondContact ND2-OE2 3.06Å; Y638-E642 PolarHBondContact O-N 3.44Å; H639-E642 PolarHBondContact O-N 3.31Å; H639-E642 VanDerWaalsContact O-N 3.17Å; E642-K646 HydrophobicContact CG-CD 4.5Å; E642-K646 WeakPolarHBondContact O-CG 3.5Å; E642-K646 PolarHBondContact O-N 2.94Å; E642-K646 VanDerWaalsContact O-N 3.13Å; E642-K646 WeakPolarHBondContact OE1-CE 3.24Å; E642-K646 IonicContact OE1-NZ 2.8Å; E642-K646 PolarHBondContact OE1-NZ 2.78Å
643T68.1Low64.2Low47 Ų4768.4 Ų68.429%0.28832%0.324SS..Hα-helixtrans-68-44.3176.150.80000112.5H639 N640 L641 Y645 K646 F647H639-T643 WeakPolarHBondContact CE1-CG2 3.32Å; H639-T643 PolarHBondContact O-N 2.86Å; H639-T643 PolarHBondContact O-OG1 2.9Å; N640-T643 PolarHBondContact O-OG1 3.21Å; L641-T643 VanDerWaalsContact C-N 3.27Å; L641-T643 PolarHBondContact O-N 2.86Å; T643-Y645 VanDerWaalsContact C-N 3.27Å; T643-Y645 PolarHBondContact O-N 3.27Å; T643-K646 PolarHBondContact O-N 3.45Å; T643-K646 VanDerWaalsContact O-N 3.15Å; T643-F647 WeakPolarHBondContact O-CD2 3.38Å
644R64.8Low61.9Low161 Ų16168.1 Ų68.161%0.60832%0.32SS*.Hα-helixtrans-58.7-37.2177.4-74.6172.2-176.2-167.50.7112.6N640 L641N640-R644 VanDerWaalsContact O-CD 3.27Å; N640-R644 WeakPolarHBondContact O-CD 3.46Å; N640-R644 WeakPolarHBondContact O-CG 3.37Å; N640-R644 PolarHBondContact O-N 3.38Å; L641-R644 PolarHBondContact O-N 3.21Å; L641-R644 VanDerWaalsContact O-N 3.13Å
645Y59.3Low59.2Low54 Ų5477.7 Ų77.721%0.21236%0.362CS..Hα-helixtrans-85.6-11.2178.6-70.7-73.5000114.4M618 L641 T643 F647 F652M618-Y645 PolarHBondContact SD-OH 3.36Å; L641-Y645 HydrophobicContact CD2-CE2 4.4Å; L641-Y645 WeakPolarHBondContact O-CD2 3.5Å; L641-Y645 PolarHBondContact O-N 3.15Å; T643-Y645 VanDerWaalsContact C-N 3.27Å; T643-Y645 PolarHBondContact O-N 3.27Å; Y645-F647 VanDerWaalsContact C-N 3.34Å; Y645-F652 HydrophobicContact CD1-CD1 4.15Å; Y645-F652 HydrophobicContact CD1-CE1 4.42Å; Y645-F652 AromaticContact CD2-CD1 3.66Å; Y645-F652 HydrophobicContact CD2-CD1 3.66Å; Y645-F652 AromaticContact CD2-CE1 3.13Å; Y645-F652 HydrophobicContact CD2-CE1 3.13Å; Y645-F652 HydrophobicContact CD2-CE2 4.48Å; Y645-F652 AromaticContact CD2-CZ 3.61Å; Y645-F652 HydrophobicContact CD2-CZ 3.61Å; Y645-F652 HydrophobicContact CE1-CD1 4.14Å; Y645-F652 AromaticContact CE2-CD1 3.66Å; Y645-F652 HydrophobicContact CE2-CD1 3.66Å; Y645-F652 AromaticContact CE2-CE1 3.33Å; Y645-F652 HydrophobicContact CE2-CE1 3.33Å; Y645-F652 HydrophobicContact CE2-CZ 4.25Å; Y645-F652 AromaticContact CG-CD1 3.93Å; Y645-F652 HydrophobicContact CG-CD1 3.93Å; Y645-F652 AromaticContact CG-CE1 3.75Å; Y645-F652 HydrophobicContact CG-CE1 3.75Å; Y645-F652 HydrophobicContact CG-CG 4.41Å; Y645-F652 HydrophobicContact CG-CZ 4.06Å; Y645-F652 AromaticContact CZ-CD1 3.91Å
646K51.7Low56.6Low110 Ų11077.6 Ų77.648%0.47836%0.364SS..Hα-helixtrans-75.8-18.4171.6-83.8175.9-177.11710114.1N258 E642 T643N258-K646 PolarHBondContact ND2-NZ 2.75Å; E642-K646 HydrophobicContact CG-CD 4.5Å; E642-K646 WeakPolarHBondContact O-CG 3.5Å; E642-K646 PolarHBondContact O-N 2.94Å; E642-K646 VanDerWaalsContact O-N 3.13Å; E642-K646 WeakPolarHBondContact OE1-CE 3.24Å; E642-K646 IonicContact OE1-NZ 2.8Å; E642-K646 PolarHBondContact OE1-NZ 2.78Å; T643-K646 PolarHBondContact O-N 3.45Å; T643-K646 VanDerWaalsContact O-N 3.15Å
647F37.2Very low54.2Low187 Ų18773.7 Ų73.782%0.8235%0.35SS*.THydrogen-bonded Turntrans-90.75178.2-75.8-77.3000114.1T643 Y645T643-F647 WeakPolarHBondContact O-CD2 3.38Å; Y645-F647 VanDerWaalsContact C-N 3.34Å
648Q39.2Very low51.8Low116 Ų11674 Ų7454%0.54235%0.351SS..SBendtrans-128.5117.2169.3-70.6173.4-10.300106.2E650Q648-E650 PolarHBondContact O-N 3.29Å
649D34.1Very low49Very low146 Ų14675.6 Ų75.678%0.78136%0.358SS*.SBendtrans-6613.9-176.1-82.3-58000115
650E37.1Very low46.4Very low134 Ų13474.5 Ų74.563%0.62636%0.355SS*.SBendtrans-110.9126.6-178.4-63.3-173.2158.100111.3Q648 F652 L653Q648-E650 PolarHBondContact O-N 3.29Å; E650-F652 PolarHBondContact O-N 3.14Å; E650-L653 HydrophobicContact CB-CD1 4.28Å
651V43.2Very low44.3Very low24 Ų2471.4 Ų71.415%0.14534%0.338CS..  trans-65.8117.7-179-176.90000111.6F262 W333 R334 L653F262-V651 HydrophobicContact CE1-CG2 3.52Å; F262-V651 HydrophobicContact CZ-CG2 3.71Å; W333-V651 HydrophobicContact CB-CB 3.88Å; W333-V651 HydrophobicContact CB-CG1 3.81Å; W333-V651 HydrophobicContact CB-CG2 4.21Å; R334-V651 WeakPolarHBondContact O-CG1 3.42Å; V651-L653 PolarHBondContact O-N 3.42Å
652F45.1Very low42.3Very low19 Ų1971.8 Ų71.88%0.08334%0.341CS..  trans2546164.9-78.8-83.1000118R334 P336 F615 M618 Y645 E650 S654R334-F652 HydrophobicContact CG-CB 4.14Å; R334-F652 PolarHBondContact NE-O 3.06Å; R334-F652 PolarHBondContact NH2-O 3.01Å; R334-F652 WeakPolarHBondContact O-CB 3.22Å; P336-F652 HydrophobicContact CG-CE2 4.18Å; P336-F652 HydrophobicContact CG-CZ 4.35Å; F615-F652 AromaticContact CD2-CE1 3.93Å; F615-F652 HydrophobicContact CD2-CE1 3.93Å; F615-F652 HydrophobicContact CD2-CZ 4.34Å; F615-F652 AromaticContact CE2-CE1 3.85Å; F615-F652 HydrophobicContact CE2-CE1 3.85Å; F615-F652 AromaticContact CE2-CZ 3.87Å; F615-F652 HydrophobicContact CE2-CZ 3.87Å; M618-F652 HydrophobicContact CE-CD1 4.16Å; M618-F652 HydrophobicContact CE-CE1 4.42Å; Y645-F652 HydrophobicContact CD1-CD1 4.15Å; Y645-F652 HydrophobicContact CD1-CE1 4.42Å; Y645-F652 AromaticContact CD2-CD1 3.66Å; Y645-F652 HydrophobicContact CD2-CD1 3.66Å; Y645-F652 AromaticContact CD2-CE1 3.13Å; Y645-F652 HydrophobicContact CD2-CE1 3.13Å; Y645-F652 HydrophobicContact CD2-CE2 4.48Å; Y645-F652 AromaticContact CD2-CZ 3.61Å; Y645-F652 HydrophobicContact CD2-CZ 3.61Å; Y645-F652 HydrophobicContact CE1-CD1 4.14Å; Y645-F652 AromaticContact CE2-CD1 3.66Å; Y645-F652 HydrophobicContact CE2-CD1 3.66Å; Y645-F652 AromaticContact CE2-CE1 3.33Å; Y645-F652 HydrophobicContact CE2-CE1 3.33Å; Y645-F652 HydrophobicContact CE2-CZ 4.25Å; Y645-F652 AromaticContact CG-CD1 3.93Å; Y645-F652 HydrophobicContact CG-CD1 3.93Å; Y645-F652 AromaticContact CG-CE1 3.75Å; Y645-F652 HydrophobicContact CG-CE1 3.75Å; Y645-F652 HydrophobicContact CG-CG 4.41Å; Y645-F652 HydrophobicContact CG-CZ 4.06Å; Y645-F652 AromaticContact CZ-CD1 3.91Å; E650-F652 PolarHBondContact O-N 3.14Å; F652-S654 PolarHBondContact O-N 3.32Å; F652-S654 VanDerWaalsContact O-N 3.16Å
653L39.3Very low40.3Very low93 Ų9374 Ų7449%0.48735%0.353SS..  trans-70.5106.6166.7-71172000107.8E650 V651 K655E650-L653 HydrophobicContact CB-CD1 4.28Å; V651-L653 PolarHBondContact O-N 3.42Å; L653-K655 PolarHBondContact O-N 2.96Å
654S36.3Very low38.6Very low22 Ų2273.3 Ų73.315%0.15435%0.352CS..  trans-76122-179.755.20000109.6R334 F652 V656R334-S654 VanDerWaalsContact NH2-N 3.19Å; R334-S654 PolarHBondContact NH2-OG 3.35Å; F652-S654 PolarHBondContact O-N 3.32Å; F652-S654 VanDerWaalsContact O-N 3.16Å; S654-V656 PolarHBondContact O-N 3.31Å
655K32.1Very low37.2Very low204 Ų20467.8 Ų67.889%0.88733%0.331SS*.  trans-65.7-11.9162.6-71-177.1176179.40113.1L653L653-K655 PolarHBondContact O-N 2.96Å
656V31.6Very low36.1Very low42 Ų4268.5 Ų68.526%0.25533%0.333SS..SBendtrans-73127.6176.7-162.90000109.5L614 S654 D660 I661L614-V656 HydrophobicContact CD2-CB 4.21Å; S654-V656 PolarHBondContact O-N 3.31Å; V656-D660 HydrophobicContact CG1-CB 4.26Å; V656-I661 HydrophobicContact CB-CD1 4.09Å; V656-I661 HydrophobicContact CG1-CD1 3.46Å; V656-I661 VanDerWaalsContact CG1-CD1 3.46Å
657S32.9Very low35.2Very low19 Ų1970.5 Ų70.513%0.13334%0.342CS..  trans-67.7133.9176.8-171.20000109.6F659 D660 I661S657-F659 PolarHBondContact O-N 3.21Å; S657-F659 VanDerWaalsContact O-N 3.15Å; S657-F659 PolarHBondContact OG-N 3.4Å; S657-D660 VanDerWaalsContact CB-OD2 3.24Å; S657-D660 WeakPolarHBondContact CB-OD2 3.45Å; S657-D660 PolarHBondContact N-OD2 3Å; S657-D660 WeakPolarHBondContact O-CB 3.23Å; S657-D660 PolarHBondContact O-N 2.95Å; S657-I661 VanDerWaalsContact O-CD1 3.23Å; S657-I661 WeakPolarHBondContact O-CD1 3.38Å
658I34.6Very low34.9Very low10 Ų1068.2 Ų68.25%0.05134%0.339CS..Hα-helixtrans-62.2-23.6173.1-59.6166.9000111Y605 L614 D660 I661 S662 E825Y605-I658 HydrophobicContact CE1-CD1 3.74Å; Y605-I658 VanDerWaalsContact OH-CD1 3.27Å; Y605-I658 WeakPolarHBondContact OH-CD1 3.01Å; L614-I658 HydrophobicContact CD1-CG1 4.35Å; I658-D660 PolarHBondContact O-N 2.74Å; I658-I661 PolarHBondContact O-N 3.24Å; I658-I661 VanDerWaalsContact O-N 3.15Å; I658-S662 WeakPolarHBondContact O-CB 3.28Å; I658-S662 PolarHBondContact O-N 3.33Å; I658-E825 HydrophobicContact CD1-CB 4Å; I658-E825 HydrophobicContact CD1-CG 3.7Å; I658-E825 WeakPolarHBondContact CD1-OE1 3.38Å; I658-E825 VanDerWaalsContact CD1-OE2 3.28Å; I658-E825 WeakPolarHBondContact CD1-OE2 3.46Å
659F28.5Very low34.7Very low39 Ų3964.5 Ų64.517%0.17132%0.322CS..Hα-helixtrans-54.8-41.6168.6-81-91.6000111.2S657 I661 S662 I663 H820 D823 H831S657-F659 PolarHBondContact O-N 3.21Å; S657-F659 VanDerWaalsContact O-N 3.15Å; S657-F659 PolarHBondContact OG-N 3.4Å; F659-I661 VanDerWaalsContact C-N 3.35Å; F659-I661 PolarHBondContact O-N 2.77Å; F659-S662 PolarHBondContact O-N 2.94Å; F659-S662 PolarHBondContact O-OG 2.95Å; F659-I663 VanDerWaalsContact O-CB 3.28Å; F659-I663 WeakPolarHBondContact O-CB 3.39Å; F659-I663 WeakPolarHBondContact O-CD1 3.22Å; F659-I663 WeakPolarHBondContact O-CG1 3.38Å; F659-I663 PolarHBondContact O-N 3.48Å; F659-H820 AromaticContact CZ-CE1 3.86Å; F659-D823 HydrophobicContact CZ-CB 4.46Å; F659-H831 AromaticContact CD2-CE1 3.56Å; F659-H831 AromaticContact CD2-NE2 3.5Å; F659-H831 WeakPolarHBondContact CD2-NE2 3.37Å; F659-H831 AromaticContact CE2-CE1 3.31Å; F659-H831 WeakPolarHBondContact CE2-CE1 3.25Å; F659-H831 AromaticContact CE2-NE2 3.3Å; F659-H831 VanDerWaalsContact CE2-NE2 3.3Å; F659-H831 WeakPolarHBondContact CE2-NE2 3.1Å; F659-H831 AromaticContact CZ-CE1 3.97Å
660D28.3Very low34.7Very low51 Ų5159.2 Ų59.227%0.27330%0.299SS..Hα-helixtrans-67.9-31.8179.6-49.7-32.6000112.3V656 S657 I658 A664 T731V656-D660 HydrophobicContact CG1-CB 4.26Å; S657-D660 VanDerWaalsContact CB-OD2 3.24Å; S657-D660 WeakPolarHBondContact CB-OD2 3.45Å; S657-D660 PolarHBondContact N-OD2 3Å; S657-D660 WeakPolarHBondContact O-CB 3.23Å; S657-D660 PolarHBondContact O-N 2.95Å; I658-D660 PolarHBondContact O-N 2.74Å; D660-A664 VanDerWaalsContact O-CB 3.27Å; D660-A664 WeakPolarHBondContact O-CB 3.45Å; D660-A664 PolarHBondContact O-N 3.42Å; D660-T731 WeakPolarHBondContact OD1-CB 3.33Å; D660-T731 WeakPolarHBondContact OD1-CG2 3.45Å; D660-T731 PolarHBondContact OD1-OG1 3.13Å
661I35.6Very low34.5Very low4 Ų454 Ų542%0.02128%0.275CS..Hα-helixtrans-79.2-37.2175.4-6686.1000110.9L614 V656 S657 I658 F659 I663 A664 R665L614-I661 HydrophobicContact CD1-CB 4.07Å; L614-I661 HydrophobicContact CD1-CD1 3.72Å; L614-I661 HydrophobicContact CD1-CG1 3.69Å; L614-I661 HydrophobicContact CD1-CG2 4.16Å; L614-I661 HydrophobicContact CD2-CD1 3.37Å; L614-I661 HydrophobicContact CD2-CG1 3.87Å; L614-I661 HydrophobicContact CG-CD1 4.13Å; L614-I661 HydrophobicContact CG-CG1 4.27Å; V656-I661 HydrophobicContact CB-CD1 4.09Å; V656-I661 HydrophobicContact CG1-CD1 3.46Å; V656-I661 VanDerWaalsContact CG1-CD1 3.46Å; S657-I661 VanDerWaalsContact O-CD1 3.23Å; S657-I661 WeakPolarHBondContact O-CD1 3.38Å; I658-I661 PolarHBondContact O-N 3.24Å; I658-I661 VanDerWaalsContact O-N 3.15Å; F659-I661 VanDerWaalsContact C-N 3.35Å; F659-I661 PolarHBondContact O-N 2.77Å; I661-I663 VanDerWaalsContact C-N 3.29Å; I661-I663 PolarHBondContact O-N 2.91Å; I661-A664 PolarHBondContact O-N 2.82Å; I661-R665 WeakPolarHBondContact O-CB 3.38Å; I661-R665 PolarHBondContact O-N 3.46Å
662S35.9Very low33.8Very low13 Ų1361.2 Ų61.29%0.09130%0.3CS..Hα-helixtrans-59.2-46.9169.782.40000108.9I658 F659 A664 R665 R666I658-S662 WeakPolarHBondContact O-CB 3.28Å; I658-S662 PolarHBondContact O-N 3.33Å; F659-S662 PolarHBondContact O-N 2.94Å; F659-S662 PolarHBondContact O-OG 2.95Å; S662-A664 VanDerWaalsContact C-N 3.34Å; S662-A664 PolarHBondContact O-N 3.07Å; S662-R665 PolarHBondContact O-N 3.43Å; S662-R666 WeakPolarHBondContact O-CB 3.35Å; S662-R666 WeakPolarHBondContact O-CD 3.36Å; S662-R666 WeakPolarHBondContact O-CG 3.43Å; S662-R666 PolarHBondContact O-N 2.89Å
663I32.2Very low33.1Very low58 Ų5865.5 Ų65.530%0.29733%0.328SS..Hα-helixtrans-63.9-34176.3-68.7162.6000111.7F659 I661 R666 K667F659-I663 VanDerWaalsContact O-CB 3.28Å; F659-I663 WeakPolarHBondContact O-CB 3.39Å; F659-I663 WeakPolarHBondContact O-CD1 3.22Å; F659-I663 WeakPolarHBondContact O-CG1 3.38Å; F659-I663 PolarHBondContact O-N 3.48Å; I661-I663 VanDerWaalsContact C-N 3.29Å; I661-I663 PolarHBondContact O-N 2.91Å; I663-R666 CarbonylContact O-C 3.58Å; I663-R666 WeakPolarHBondContact O-CB 3.13Å; I663-R666 PolarHBondContact O-N 2.93Å; I663-K667 WeakPolarHBondContact O-CG 3.31Å; I663-K667 PolarHBondContact O-N 3.24Å; I663-K667 VanDerWaalsContact O-N 3.07Å
664A30.9Very low32.9Very low34 Ų3463.5 Ų63.528%0.28132%0.319SS..Hα-helixtrans-74-49.2175.900000112.9D660 I661 S662 R666 K667D660-A664 VanDerWaalsContact O-CB 3.27Å; D660-A664 WeakPolarHBondContact O-CB 3.45Å; D660-A664 PolarHBondContact O-N 3.42Å; I661-A664 PolarHBondContact O-N 2.82Å; S662-A664 VanDerWaalsContact C-N 3.34Å; S662-A664 PolarHBondContact O-N 3.07Å; A664-R666 PolarHBondContact O-N 3.44Å; A664-K667 WeakPolarHBondContact O-CB 3.25Å; A664-K667 PolarHBondContact O-N 3.05Å
665R36.4Very low32.8Very low45 Ų4566.4 Ų66.417%0.1733%0.33CS..Hα-helixtrans-58.1-30.5169.4-95.5-177.4156.9-160.9-16111D414 D610 E613 I661 S662 L669D414-R665 IonicContact OD1-NH1 3.35Å; D414-R665 IonicContact OD2-CZ 2.82Å; D414-R665 IonicContact OD2-NH1 2.76Å; D414-R665 PolarHBondContact OD2-NH1 3.32Å; D414-R665 IonicContact OD2-NH2 3.19Å; D414-R665 PolarHBondContact OD2-NH2 3.38Å; D610-R665 IonicContact OD1-CZ 2.75Å; D610-R665 IonicContact OD1-NE 3.88Å; D610-R665 IonicContact OD1-NH1 2.87Å; D610-R665 PolarHBondContact OD1-NH1 3.31Å; E613-R665 IonicContact OE1-CZ 3.34Å; E613-R665 IonicContact OE1-NE 3.35Å; E613-R665 PolarHBondContact OE1-NE 3.4Å; E613-R665 VanDerWaalsContact OE1-NE 3.11Å; E613-R665 IonicContact OE1-NH2 2.8Å; E613-R665 PolarHBondContact OE1-NH2 2.97Å; I661-R665 WeakPolarHBondContact O-CB 3.38Å; I661-R665 PolarHBondContact O-N 3.46Å; S662-R665 PolarHBondContact O-N 3.43Å; R665-L669 WeakPolarHBondContact O-CD1 3.39Å; R665-L669 WeakPolarHBondContact O-CG 3.27Å
666R36.9Very low32.8Very low68 Ų6866.7 Ų66.726%0.25733%0.326SS..Hα-helixtrans-71.4-21.7172.9-74.5163.9-169.6-178.43.7113.8V475 C477 Q480 S662 I663 A664V475-R666 HydrophobicContact CG1-CB 4.18Å; V475-R666 WeakPolarHBondContact CG1-O 3.42Å; C477-R666 HydrophobicContact CB-CB 4.36Å; C477-R666 HydrophobicContact CB-CG 3.91Å; C477-R666 VanDerWaalsContact SG-C 3.55Å; C477-R666 WeakPolarHBondContact SG-CA 3.39Å; C477-R666 WeakPolarHBondContact SG-CB 3.27Å; C477-R666 WeakPolarHBondContact SG-CG 3.41Å; C477-R666 PolarHBondContact SG-O 3.3Å; Q480-R666 VanDerWaalsContact OE1-CD 3.27Å; S662-R666 WeakPolarHBondContact O-CB 3.35Å; S662-R666 WeakPolarHBondContact O-CD 3.36Å; S662-R666 WeakPolarHBondContact O-CG 3.43Å; S662-R666 PolarHBondContact O-N 2.89Å; I663-R666 CarbonylContact O-C 3.58Å; I663-R666 WeakPolarHBondContact O-CB 3.13Å; I663-R666 PolarHBondContact O-N 2.93Å; A664-R666 PolarHBondContact O-N 3.44Å
667K31.9Very low32.8Very low153 Ų15372 Ų7267%0.66535%0.348SS*.Hα-helixtrans-74.4-39.3173.1-76.3173.8-177.7-179.60112.5I663 A664 L669I663-K667 WeakPolarHBondContact O-CG 3.31Å; I663-K667 PolarHBondContact O-N 3.24Å; I663-K667 VanDerWaalsContact O-N 3.07Å; A664-K667 WeakPolarHBondContact O-CB 3.25Å; A664-K667 PolarHBondContact O-N 3.05Å; K667-L669 PolarHBondContact O-N 2.8Å
668D31.2Very low32.9Very low139 Ų13979.7 Ų79.774%0.74338%0.375SS*.THydrogen-bonded Turntrans-74.50.7-179.5-65.6-20.5000114.1
669L35.3Very low32.7Very low38 Ų3882.7 Ų82.720%0.19941%0.409CS..THydrogen-bonded Turntrans-105.34.8-178.7-70.8168.4000114R420 C477 R665 K667R420-L669 HydrophobicContact CB-CD2 4.34Å; R420-L669 HydrophobicContact CG-CD2 3.87Å; C477-L669 HydrophobicContact CB-CB 4.46Å; C477-L669 HydrophobicContact CB-CD1 4.2Å; R665-L669 WeakPolarHBondContact O-CD1 3.39Å; R665-L669 WeakPolarHBondContact O-CG 3.27Å; K667-L669 PolarHBondContact O-N 2.8Å
670A32.7Very low32.9Very low35 Ų3585.6 Ų85.629%0.28943%0.429SS..  trans-67.1138-17400000114.5W672A670-W672 PolarHBondContact O-N 2.87Å
671L33.5Very low32.7Very low25 Ų2588.4 Ų88.413%0.13145%0.453CS..  trans-73.849.9169.6-72.8170.3000111.3N476 T673 V674 Q675N476-L671 HydrophobicContact CB-CB 3.88Å; N476-L671 HydrophobicContact CB-CD1 3.99Å; N476-L671 HydrophobicContact CB-CG 3.65Å; N476-L671 VanDerWaalsContact CB-N 3.33Å; N476-L671 VanDerWaalsContact CG-CB 3.45Å; N476-L671 VanDerWaalsContact CG-N 3.3Å; N476-L671 PolarHBondContact ND2-N 3.12Å; N476-L671 WeakPolarHBondContact OD1-CD1 3.18Å; L671-T673 PolarHBondContact O-N 2.85Å; L671-T673 VanDerWaalsContact O-N 3.08Å; L671-V674 HydrophobicContact CB-CB 4.29Å; L671-V674 HydrophobicContact CB-CG2 4.2Å; L671-V674 HydrophobicContact CD1-CG2 4.44Å; L671-V674 HydrophobicContact CD2-CG2 3.94Å; L671-V674 HydrophobicContact CG-CG2 4.43Å; L671-V674 PolarHBondContact O-N 2.89Å; L671-Q675 PolarHBondContact O-N 3.33Å
672W28.2Very low32.3Very low175 Ų17593.3 Ų93.366%0.66348%0.483SS*.Hα-helixtrans-56.9-22.9173-99.296.6000112.8A670A670-W672 PolarHBondContact O-N 2.87Å
673T30.5Very low31.9Very low108 Ų10898.8 Ų98.866%0.66352%0.516SS*.Hα-helixtrans-75-30.9175.927.30000114.2L671L671-T673 PolarHBondContact O-N 2.85Å; L671-T673 VanDerWaalsContact O-N 3.08Å
674V35.9Very low31.5Very low51 Ų51105 Ų10531%0.30954%0.541SS..Hα-helixtrans-77.8-41.6177.7178.60000110.1L671 R676 Q677 Y678L671-V674 HydrophobicContact CB-CB 4.29Å; L671-V674 HydrophobicContact CB-CG2 4.2Å; L671-V674 HydrophobicContact CD1-CG2 4.44Å; L671-V674 HydrophobicContact CD2-CG2 3.94Å; L671-V674 HydrophobicContact CG-CG2 4.43Å; L671-V674 PolarHBondContact O-N 2.89Å; V674-R676 PolarHBondContact O-N 3.47Å; V674-R676 VanDerWaalsContact O-N 3.13Å; V674-Q677 PolarHBondContact O-N 3.38Å; V674-Y678 HydrophobicContact CG1-CD2 4.11Å; V674-Y678 HydrophobicContact CG1-CE2 4.17Å; V674-Y678 WeakPolarHBondContact O-CD2 3.14Å
675Q33.2Very low31.3Very low83 Ų83109 Ų10939%0.38856%0.562SS.*Hα-helixtrans-58.4-28.9178.5-72.9-179.8-43.100113.7L671 G679L671-Q675 PolarHBondContact O-N 3.33Å; Q675-G679 PolarHBondContact O-N 3.04Å
676R32Very low30.9Very low210 Ų210111.9 Ų111.979%0.79258%0.58SS**THydrogen-bonded Turntrans-75-21.2174.5-77.9-166.7-179-170.41.2114.7V674V674-R676 PolarHBondContact O-N 3.47Å; V674-R676 VanDerWaalsContact O-N 3.13Å
677Q32.5Very low30.6Very low153 Ų153118 Ų11872%0.71561%0.609SS**THydrogen-bonded Turntrans-80.6-18.7177-69.9-178.4-5900112.7V674V674-Q677 PolarHBondContact O-N 3.38Å
678Y34.3Very low30.3Very low182 Ų182117.3 Ų117.371%0.71461%0.608SS**THydrogen-bonded Turntrans-117.88.3-174.9-65.6-81.5000114.8V674 V680V674-Y678 HydrophobicContact CG1-CD2 4.11Å; V674-Y678 HydrophobicContact CG1-CE2 4.17Å; V674-Y678 WeakPolarHBondContact O-CD2 3.14Å; Y678-V680 PolarHBondContact O-N 3.35Å
679G30.7Very low30.3Very low73 Ų73120.1 Ų120.175%0.75362%0.616SS**THydrogen-bonded Turntrans70.121.6158.900000117.8Q675Q675-G679 PolarHBondContact O-N 3.04Å
680V32.1Very low30.2Very low99 Ų99124.7 Ų124.760%0.664%0.637SS**  trans-92.2130.4-178.5-1750000111.9Y678Y678-V680 PolarHBondContact O-N 3.35Å
681S25.9Very low30.6Very low110 Ų110125.8 Ų125.877%0.76965%0.652SS**  trans-92.6134.4175.261.50000111.4
682V27.2Very low30.9Very low107 Ų107128.5 Ų128.565%0.64867%0.666SS**  trans-97.8109-178.4179.20000110.9K684V682-K684 PolarHBondContact O-N 3.37Å
683T25.7Very low31.6Very low129 Ų129123.2 Ų123.279%0.79166%0.655SS**  trans-72.3118.2162.633.40000109.9T685T683-T685 PolarHBondContact O-N 2.77Å
684K25.3Very low32.1Very low187 Ų187124.2 Ų124.281%0.81365%0.652SS**  trans-64.8118171.3-76.1176.7178.2170.60109.5V682 L686V682-K684 PolarHBondContact O-N 3.37Å; K684-L686 VanDerWaalsContact C-N 3.27Å; K684-L686 PolarHBondContact O-N 3.27Å
685T26.9Very low32.3Very low119 Ų119126.4 Ų126.473%0.7366%0.662SS**  trans-69.885.2166.238.10000110.4T683 F687T683-T685 PolarHBondContact O-N 2.77Å; T685-F687 PolarHBondContact O-N 3.02Å
686L27.3Very low32.4Very low106 Ų106132.1 Ų132.156%0.55568%0.68SS**  trans-65120.9166.6-76.6161.8000109.4K684 H688 K758K684-L686 VanDerWaalsContact C-N 3.27Å; K684-L686 PolarHBondContact O-N 3.27Å; L686-H688 PolarHBondContact O-N 2.96Å; L686-K758 PolarHBondContact O-NZ 3.41Å
687F29.4Very low32.8Very low197 Ų197126 Ų12686%0.86467%0.669SS**  trans-69112.1156.7-63.3-87.5000107.1T685T685-F687 PolarHBondContact O-N 3.02Å
688H27.4Very low33.1Very low138 Ų138126 Ų12664%0.63967%0.674SS**  trans-95.2151.3168.7-95.4-79.2000109.9L686 E690L686-H688 PolarHBondContact O-N 2.96Å; H688-E690 PolarHBondContact O-N 3.48Å
689E30.9Very low33.2Very low197 Ų197120.1 Ų120.192%0.92166%0.659SS**  trans-65.2116.8170.4-66.2-178.6121.300109.8
690E32.4Very low33.6Very low134 Ų134119.5 Ų119.563%0.62664%0.643SS**  trans-132.1145.2166.9-74-175.6-165.200110.2H688H688-E690 PolarHBondContact O-N 3.48Å
691G40.4Very low34.1Very low59 Ų59122 Ų12261%0.60865%0.652SS**  trans-77.6164.3-164.500000115.4C693G691-C693 PolarHBondContact O-N 2.88Å
692I41.3Very low34.9Very low82 Ų82120.9 Ų120.942%0.42164%0.644SS.*  trans-64126.9163.5-58.5170.3000107.2Y721 L753I692-Y721 HydrophobicContact CD1-CD2 4.35Å; I692-L753 HydrophobicContact CG2-CD2 3.84Å
693C42Very low35.6Very low63 Ų63119.2 Ų119.243%0.42663%0.63SS.*BIsolated β-bridgetrans-115.3146.7178-166.10000109.5G691 F754G691-C693 PolarHBondContact O-N 2.88Å; C693-F754 HydrophobicContact CB-CE2 3.66Å; C693-F754 HydrophobicContact CB-CZ 3.77Å; C693-F754 WeakPolarHBondContact O-CE1 3.45Å; C693-F754 WeakPolarHBondContact O-CZ 3.35Å
694Q41.7Very low36.3Very low129 Ų129115.6 Ų115.660%0.60361%0.613SS**  trans-108.4126169.6-74.7177.5-29.700106.9L753Q694-L753 HydrophobicContact CG-CD2 3.59Å
695D39.1Very low37.1Very low98 Ų98113.3 Ų113.352%0.52461%0.609SS.*  trans-115.5122.3174-164-16000107.9S697 F754D695-S697 VanDerWaalsContact CG-OG 3.28Å; D695-S697 WeakPolarHBondContact OD1-CB 3.28Å; D695-S697 PolarHBondContact OD1-N 3.26Å; D695-S697 PolarHBondContact OD1-OG 3.36Å; D695-S697 PolarHBondContact OD2-OG 3.27Å; D695-F754 HydrophobicContact CB-CE1 3.52Å; D695-F754 HydrophobicContact CB-CZ 3.77Å
696W36.8Very low38.1Very low202 Ų202114.3 Ų114.377%0.76561%0.609SS**  trans-107.41.5-179.6-71.26.5000111.8N698W696-N698 VanDerWaalsContact C-N 3.25Å; W696-N698 PolarHBondContact O-N 3.29Å; W696-N698 VanDerWaalsContact O-N 3.12Å
697S39.6Very low38.8Very low81 Ų81114.1 Ų114.157%0.56661%0.608SS**THydrogen-bonded Turntrans-62.3-22.3-168.254.90000115.8D695D695-S697 VanDerWaalsContact CG-OG 3.28Å; D695-S697 WeakPolarHBondContact OD1-CB 3.28Å; D695-S697 PolarHBondContact OD1-N 3.26Å; D695-S697 PolarHBondContact OD1-OG 3.36Å; D695-S697 PolarHBondContact OD2-OG 3.27Å
698N38.2Very low39.7Very low154 Ų154106.1 Ų106.182%0.82457%0.574SS**THydrogen-bonded Turntrans-1216.5-169.6-74.8-31.9000116W696W696-N698 VanDerWaalsContact C-N 3.25Å; W696-N698 PolarHBondContact O-N 3.29Å; W696-N698 VanDerWaalsContact O-N 3.12Å
699C36.4Very low41.1Very low59 Ų59102.7 Ų102.740%0.39957%0.566SS.*  trans-84.7128.8174.8-90.20000111.6
700S40.6Very low42.4Very low60 Ų6098.7 Ų98.742%0.4255%0.551SS.*  trans-69.1148.8163.967.10000110.1S702 E703S700-S702 PolarHBondContact O-N 3.19Å; S700-S702 PolarHBondContact OG-OG 3.25Å; S700-E703 PolarHBondContact O-N 3.36Å
701L41.1Very low43.6Very low151 Ų15195.6 Ų95.679%0.79154%0.537SS*.Hα-helixtrans-58.7-21.5-177.3-110.9155.4000113.7
702S43.2Very low44.4Very low86 Ų86100 Ų10060%0.60154%0.535SS*.Hα-helixtrans-77.4-28.1175.8570000114S700S700-S702 PolarHBondContact O-N 3.19Å; S700-S702 PolarHBondContact OG-OG 3.25Å
703E42.7Very low45.3Very low73 Ų7399.6 Ų99.634%0.34153%0.528SS..Hα-helixtrans-77.5-30.1176.3-71.9-172.416300112.4S700 L705 L706S700-E703 PolarHBondContact O-N 3.36Å; E703-L705 PolarHBondContact O-N 3.09Å; E703-L706 PolarHBondContact O-N 2.86Å
704A40.4Very low46.4Very low53 Ų53100.3 Ų100.344%0.43853%0.528SS..Hα-helixtrans-65.3-24.7176.300000113.2
705L41.6Very low47.6Very low139 Ų13995.2 Ų95.273%0.72850%0.504SS*.THydrogen-bonded Turntrans-85.5-8.9179.9-65.9172.4000113.8E703 D707E703-L705 PolarHBondContact O-N 3.09Å; L705-D707 PolarHBondContact O-N 2.92Å
706L48.3Very low49Very low139 Ų13992.1 Ų92.173%0.72849%0.488SS*.SBendtrans-79.958.7167.9-71.5173.1000110.2E703 L708E703-L706 PolarHBondContact O-N 2.86Å; L706-L708 PolarHBondContact O-N 3.05Å
707D41.4Very low50.4Low102 Ų10284.9 Ų84.955%0.54547%0.467SS..  trans-57.297.5-166.9-16440.8000112L705 S709 R713L705-D707 PolarHBondContact O-N 2.92Å; D707-S709 PolarHBondContact O-N 2.99Å; D707-R713 IonicContact OD1-CZ 3.16Å; D707-R713 IonicContact OD1-NH1 2.82Å; D707-R713 PolarHBondContact OD1-NH1 3.24Å; D707-R713 IonicContact OD1-NH2 3.57Å; D707-R713 PolarHBondContact OD1-NH2 3.43Å
708L49.1Very low51.9Low29 Ų2982.3 Ų82.315%0.15245%0.445CS..  trans-62.5103.5168.6-73.8171.3000107.2L706 R712 R713 I749L706-L708 PolarHBondContact O-N 3.05Å; L708-R712 HydrophobicContact CB-CB 4.32Å; L708-R713 PolarHBondContact O-NH1 3.07Å; L708-I749 HydrophobicContact CD1-CG2 4.42Å
709S56.3Low53.6Low67 Ų6775 Ų7547%0.46941%0.406SS..  trans-37.7140.8-178.264.10000112.5D707 H711 R712 R713D707-S709 PolarHBondContact O-N 2.99Å; S709-H711 CarbonylContact O-C 3.57Å; S709-H711 PolarHBondContact O-N 3.28Å; S709-R712 PolarHBondContact O-N 3.5Å; S709-R713 PolarHBondContact O-N 3.39Å
710D57.5Low55.2Low112 Ų11272.6 Ų72.660%0.59939%0.391SS*.Hα-helixtrans-46.6-30.2-174.2-73.2-28.9000114R713 N714D710-R713 IonicContact OD1-NH1 3.22Å; D710-N714 WeakPolarHBondContact O-CB 3.45Å; D710-N714 PolarHBondContact O-N 2.96Å; D710-N714 PolarHBondContact O-ND2 3.23Å
711H57.3Low56.7Low70 Ų7074.7 Ų74.732%0.32439%0.391SS..Hα-helixtrans-58.8-46172.8-169.87.7000113.9S709 L715 R780S709-H711 CarbonylContact O-C 3.57Å; S709-H711 PolarHBondContact O-N 3.28Å; H711-L715 VanDerWaalsContact O-CG 3.31Å; H711-L715 WeakPolarHBondContact O-CG 3.06Å; H711-L715 PolarHBondContact O-N 2.7Å; H711-L715 VanDerWaalsContact O-N 3.07Å; H711-R780 PolarHBondContact CD2-NH1 2.77Å; H711-R780 PolarHBondContact CE1-NH1 2.72Å; H711-R780 PolarHBondContact CE1-NH2 3.24Å; H711-R780 PolarHBondContact ND1-NH2 3.19Å; H711-R780 PolarHBondContact NE2-NH1 2.94Å
712R58Low58.4Low151 Ų15167.5 Ų67.557%0.5735%0.353SS*.Hα-helixtrans-67.2-43.8177.8-77.4-169.9175-174.8-1.5111.8L708 S709 N714 L715 I716L708-R712 HydrophobicContact CB-CB 4.32Å; S709-R712 PolarHBondContact O-N 3.5Å; R712-N714 VanDerWaalsContact C-N 3.35Å; R712-N714 PolarHBondContact O-N 3.29Å; R712-L715 PolarHBondContact O-N 3.5Å; R712-I716 WeakPolarHBondContact O-CG1 3.32Å; R712-I716 PolarHBondContact O-N 3.4Å; R712-I716 VanDerWaalsContact O-N 3.08Å
713R60.2Low59.9Low73 Ų7363.4 Ų63.428%0.27533%0.325SS..Hα-helixtrans-55.1-50.2173.8-72.1-177.8177.2120.44.8111.3D707 L708 S709 D710 L715 I716 C717D707-R713 IonicContact OD1-CZ 3.16Å; D707-R713 IonicContact OD1-NH1 2.82Å; D707-R713 PolarHBondContact OD1-NH1 3.24Å; D707-R713 IonicContact OD1-NH2 3.57Å; D707-R713 PolarHBondContact OD1-NH2 3.43Å; L708-R713 PolarHBondContact O-NH1 3.07Å; S709-R713 PolarHBondContact O-N 3.39Å; D710-R713 IonicContact OD1-NH1 3.22Å; R713-L715 VanDerWaalsContact C-N 3.34Å; R713-L715 PolarHBondContact O-N 2.92Å; R713-I716 PolarHBondContact O-N 2.94Å; R713-I716 VanDerWaalsContact O-N 3.16Å; R713-C717 PolarHBondContact O-N 2.99Å; R713-C717 PolarHBondContact O-SG 3.11Å
714N64.6Low61.2Low79 Ų7961.8 Ų61.842%0.42232%0.318SS..Hα-helixtrans-60.5-38.7177.8-80.4-65000113.2D710 R712 I716 C717 Y718D710-N714 WeakPolarHBondContact O-CB 3.45Å; D710-N714 PolarHBondContact O-N 2.96Å; D710-N714 PolarHBondContact O-ND2 3.23Å; R712-N714 VanDerWaalsContact C-N 3.35Å; R712-N714 PolarHBondContact O-N 3.29Å; N714-I716 VanDerWaalsContact C-N 3.35Å; N714-C717 WeakPolarHBondContact O-CB 3.44Å; N714-C717 PolarHBondContact O-N 2.79Å; N714-Y718 WeakPolarHBondContact O-CD2 3.27Å; N714-Y718 PolarHBondContact O-N 3.22Å
715L67.8Low62.7Low21 Ų2162.7 Ų62.711%0.1131%0.312CS..Hα-helixtrans-63.3-39.9175.5-73.1169.9000112.1H711 R712 R713 Y718 A719 I772 N773 E776H711-L715 VanDerWaalsContact O-CG 3.31Å; H711-L715 WeakPolarHBondContact O-CG 3.06Å; H711-L715 PolarHBondContact O-N 2.7Å; H711-L715 VanDerWaalsContact O-N 3.07Å; R712-L715 PolarHBondContact O-N 3.5Å; R713-L715 VanDerWaalsContact C-N 3.34Å; R713-L715 PolarHBondContact O-N 2.92Å; L715-Y718 PolarHBondContact O-N 3.43Å; L715-A719 PolarHBondContact O-N 3.25Å; L715-I772 HydrophobicContact CD2-CG2 4.04Å; L715-N773 HydrophobicContact CD1-CB 4.22Å; L715-E776 HydrophobicContact CD2-CB 3.9Å; L715-E776 HydrophobicContact CD2-CG 4.28Å
716I67Low64Low34 Ų3456.4 Ų56.417%0.17428%0.279CS..Hα-helixtrans-69.1-38.3176.8-62166.4000110.7R712 R713 N714 Y718 A719 G720 L752 L753R712-I716 WeakPolarHBondContact O-CG1 3.32Å; R712-I716 PolarHBondContact O-N 3.4Å; R712-I716 VanDerWaalsContact O-N 3.08Å; R713-I716 PolarHBondContact O-N 2.94Å; R713-I716 VanDerWaalsContact O-N 3.16Å; N714-I716 VanDerWaalsContact C-N 3.35Å; I716-Y718 PolarHBondContact O-N 3.42Å; I716-A719 PolarHBondContact O-N 3.13Å; I716-G720 PolarHBondContact O-N 2.81Å; I716-L752 HydrophobicContact CD1-CD2 4.02Å; I716-L753 HydrophobicContact CG2-CB 4.27Å; I716-L753 HydrophobicContact CG2-CD1 4.33Å
717C67.2Low64.8Low49 Ų4951.3 Ų51.333%0.33126%0.256SS..Hα-helixtrans-54.9-49.6169.9-62.10000111.7R713 N714 A719 G720 Y721 L753R713-C717 PolarHBondContact O-N 2.99Å; R713-C717 PolarHBondContact O-SG 3.11Å; N714-C717 WeakPolarHBondContact O-CB 3.44Å; N714-C717 PolarHBondContact O-N 2.79Å; C717-A719 VanDerWaalsContact C-N 3.33Å; C717-A719 PolarHBondContact O-N 3.43Å; C717-G720 PolarHBondContact O-N 2.87Å; C717-Y721 PolarHBondContact O-N 3.27Å; C717-L753 HydrophobicContact CB-CD1 4.33Å; C717-L753 WeakPolarHBondContact SG-CD1 3.43Å
718Y71.4Confident66Low28 Ų2850.6 Ų50.611%0.1126%0.263CS..Hα-helixtrans-63.2-39178.5-72.2-58.1000111.7N714 L715 I716 V722 F843 I846 N850N714-Y718 WeakPolarHBondContact O-CD2 3.27Å; N714-Y718 PolarHBondContact O-N 3.22Å; L715-Y718 PolarHBondContact O-N 3.43Å; I716-Y718 PolarHBondContact O-N 3.42Å; Y718-V722 WeakPolarHBondContact O-CB 3.38Å; Y718-V722 VanDerWaalsContact O-CG2 3.23Å; Y718-V722 WeakPolarHBondContact O-CG2 3.28Å; Y718-V722 PolarHBondContact O-N 3.34Å; Y718-F843 HydrophobicContact CD1-CE2 4.25Å; Y718-F843 HydrophobicContact CD2-CE2 4.09Å; Y718-F843 HydrophobicContact CG-CD2 4.39Å; Y718-F843 AromaticContact CG-CE2 3.89Å; Y718-F843 HydrophobicContact CG-CE2 3.89Å; Y718-I846 HydrophobicContact CD1-CG2 3.93Å; Y718-I846 HydrophobicContact CE1-CG2 3.79Å; Y718-N850 WeakPolarHBondContact CE1-ND2 3.11Å; Y718-N850 PolarHBondContact OH-ND2 3.45Å
719A74.3Confident66.2Low0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-63.3-47.2175.800000113L715 I716 C717 Y721 V722 A723 P764 L768 I772L715-A719 PolarHBondContact O-N 3.25Å; I716-A719 PolarHBondContact O-N 3.13Å; C717-A719 VanDerWaalsContact C-N 3.33Å; C717-A719 PolarHBondContact O-N 3.43Å; A719-Y721 PolarHBondContact O-N 3.05Å; A719-V722 PolarHBondContact O-N 3.41Å; A719-A723 VanDerWaalsContact O-CB 3.27Å; A719-A723 WeakPolarHBondContact O-CB 3.41Å; A719-A723 PolarHBondContact O-N 3.48Å; A719-P764 HydrophobicContact CB-CB 3.88Å; A719-P764 HydrophobicContact CB-CG 4.06Å; A719-L768 HydrophobicContact CB-CD2 4.4Å; A719-L768 HydrophobicContact CB-CG 4.37Å; A719-I772 VanDerWaalsContact CA-CD1 3.43Å; A719-I772 HydrophobicContact CB-CD1 3.9Å
720G69.8Low66.3Low9 Ų952.7 Ų52.79%0.09327%0.269CS..Hα-helixtrans-60.5-44.217600000113I716 C717 A723 N724I716-G720 PolarHBondContact O-N 2.81Å; C717-G720 PolarHBondContact O-N 2.87Å; G720-A723 PolarHBondContact O-N 2.98Å; G720-N724 PolarHBondContact O-N 3.13Å
721Y71.6Confident65.9Low104 Ų10450.7 Ų50.741%0.40826%0.261SS..Hα-helixtrans-67.2-43.7178.4-171-75.7000112.3I692 C717 A719 N724 K725 I846I692-Y721 HydrophobicContact CD1-CD2 4.35Å; C717-Y721 PolarHBondContact O-N 3.27Å; A719-Y721 PolarHBondContact O-N 3.05Å; Y721-N724 PolarHBondContact O-N 2.82Å; Y721-K725 HydrophobicContact CE1-CB 4.37Å; Y721-K725 HydrophobicContact CE1-CD 3.81Å; Y721-K725 WeakPolarHBondContact O-CB 3.3Å; Y721-K725 PolarHBondContact O-N 3.03Å; Y721-I846 HydrophobicContact CD1-CD1 3.31Å; Y721-I846 HydrophobicContact CD1-CG1 3.75Å; Y721-I846 HydrophobicContact CE1-CD1 3.68Å; Y721-I846 HydrophobicContact CE1-CG1 3.6Å; Y721-I846 HydrophobicContact CG-CD1 4.36Å
722V76.4Confident65.7Low0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-63.6-44.2176.5170.40000110.6Y718 A719 N724 K725 L726 L768 I772 I839 C842 F843 I846Y718-V722 WeakPolarHBondContact O-CB 3.38Å; Y718-V722 VanDerWaalsContact O-CG2 3.23Å; Y718-V722 WeakPolarHBondContact O-CG2 3.28Å; Y718-V722 PolarHBondContact O-N 3.34Å; A719-V722 PolarHBondContact O-N 3.41Å; V722-N724 PolarHBondContact O-N 2.88Å; V722-K725 PolarHBondContact O-N 3.33Å; V722-L726 HydrophobicContact CG1-CD1 3.67Å; V722-L726 HydrophobicContact CG1-CG 4.12Å; V722-L726 VanDerWaalsContact O-CB 3.32Å; V722-L726 WeakPolarHBondContact O-CB 3.49Å; V722-L726 WeakPolarHBondContact O-CG 3.26Å; V722-L726 PolarHBondContact O-N 2.83Å; V722-L768 HydrophobicContact CG1-CD1 4.17Å; V722-I772 HydrophobicContact CB-CD1 4.03Å; V722-I772 HydrophobicContact CG1-CD1 4.34Å; V722-I772 HydrophobicContact CG2-CD1 4.09Å; V722-I839 HydrophobicContact CG1-CG1 4.29Å; V722-I839 HydrophobicContact CG1-CG2 4.28Å; V722-C842 HydrophobicContact CG1-CB 4.26Å; V722-C842 HydrophobicContact CG2-CB 4.43Å; V722-F843 HydrophobicContact CG2-CB 4.41Å; V722-I846 HydrophobicContact CG2-CD1 3.5Å; V722-I846 VanDerWaalsContact CG2-CD1 3.5Å
723A74.5Confident65.7Low0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-56.6-48.2176.200000111.5A719 G720 S727 L739 Y740 L768A719-A723 VanDerWaalsContact O-CB 3.27Å; A719-A723 WeakPolarHBondContact O-CB 3.41Å; A719-A723 PolarHBondContact O-N 3.48Å; G720-A723 PolarHBondContact O-N 2.98Å; A723-S727 VanDerWaalsContact O-CB 3.26Å; A723-S727 WeakPolarHBondContact O-CB 3.19Å; A723-S727 PolarHBondContact O-N 3.37Å; A723-S727 PolarHBondContact O-OG 3.32Å; A723-L739 HydrophobicContact CB-CB 4.41Å; A723-Y740 HydrophobicContact CB-CE1 3.87Å; A723-Y740 PolarHBondContact O-OH 3.46Å; A723-L768 HydrophobicContact CB-CD2 3.74Å
724N71.4Confident65.6Low39 Ų3944.4 Ų44.421%0.20924%0.244CC..Hα-helixtrans-61.2-52.7178.4-77-2.3000112.3G720 Y721 V722 L726 S727 A728 Y740 V755G720-N724 PolarHBondContact O-N 3.13Å; Y721-N724 PolarHBondContact O-N 2.82Å; V722-N724 PolarHBondContact O-N 2.88Å; N724-L726 VanDerWaalsContact C-N 3.31Å; N724-L726 PolarHBondContact O-N 3.5Å; N724-S727 PolarHBondContact O-N 3.44Å; N724-S727 VanDerWaalsContact O-N 3.16Å; N724-S727 PolarHBondContact O-OG 3.06Å; N724-A728 PolarHBondContact O-N 2.96Å; N724-Y740 PolarHBondContact OD1-OH 3.25Å; N724-V755 WeakPolarHBondContact OD1-CG1 3.19Å; N724-V755 WeakPolarHBondContact OD1-CG2 3.26Å
725K70.9Confident65.7Low72 Ų7240.8 Ų40.831%0.31323%0.225SC..Hα-helixtrans-64.2-36.4-176.7-174165.8172.3-171.60112.2Y721 V722 L729Y721-K725 HydrophobicContact CE1-CB 4.37Å; Y721-K725 HydrophobicContact CE1-CD 3.81Å; Y721-K725 WeakPolarHBondContact O-CB 3.3Å; Y721-K725 PolarHBondContact O-N 3.03Å; V722-K725 PolarHBondContact O-N 3.33Å; K725-L729 HydrophobicContact CG-CD1 4.12Å; K725-L729 WeakPolarHBondContact O-CD1 3.34Å; K725-L729 VanDerWaalsContact O-CG 3.25Å; K725-L729 WeakPolarHBondContact O-CG 3.47Å; K725-L729 PolarHBondContact O-N 3.02Å
726L68.8Low65.6Low6 Ų641.4 Ų41.43%0.03123%0.229CC..Hα-helixtrans-74-35.6173.5-68.8-177.6000112.7V722 N724 A728 L729 L730 L739 D838 I839 C842V722-L726 HydrophobicContact CG1-CD1 3.67Å; V722-L726 HydrophobicContact CG1-CG 4.12Å; V722-L726 VanDerWaalsContact O-CB 3.32Å; V722-L726 WeakPolarHBondContact O-CB 3.49Å; V722-L726 WeakPolarHBondContact O-CG 3.26Å; V722-L726 PolarHBondContact O-N 2.83Å; N724-L726 VanDerWaalsContact C-N 3.31Å; N724-L726 PolarHBondContact O-N 3.5Å; L726-A728 PolarHBondContact O-N 3.39Å; L726-L729 PolarHBondContact O-N 3.26Å; L726-L730 HydrophobicContact CB-CD1 3.96Å; L726-L730 HydrophobicContact CB-CG 4.33Å; L726-L730 WeakPolarHBondContact O-CB 3.37Å; L726-L730 VanDerWaalsContact O-CG 3.31Å; L726-L730 WeakPolarHBondContact O-CG 3.38Å; L726-L730 PolarHBondContact O-N 3.49Å; L726-L739 HydrophobicContact CB-CD1 3.73Å; L726-L739 HydrophobicContact CD1-CD1 4.35Å; L726-L739 HydrophobicContact CD1-CD2 4.3Å; L726-D838 HydrophobicContact CD2-CB 3.91Å; L726-I839 HydrophobicContact CD1-CB 4.26Å; L726-I839 HydrophobicContact CD1-CG1 3.42Å; L726-I839 VanDerWaalsContact CD1-CG1 3.42Å; L726-C842 HydrophobicContact CD2-CB 4.18Å; L726-C842 HydrophobicContact CG-CB 4.42Å
727S66.3Low65.7Low33 Ų3344 Ų4423%0.23125%0.246CC..Hα-helixtrans-62.5-23175.975.50000113.6A723 N724 Y740A723-S727 VanDerWaalsContact O-CB 3.26Å; A723-S727 WeakPolarHBondContact O-CB 3.19Å; A723-S727 PolarHBondContact O-N 3.37Å; A723-S727 PolarHBondContact O-OG 3.32Å; N724-S727 PolarHBondContact O-N 3.44Å; N724-S727 VanDerWaalsContact O-N 3.16Å; N724-S727 PolarHBondContact O-OG 3.06Å; S727-Y740 PolarHBondContact OG-OH 3.22Å
728A64.9Low65.9Low86 Ų8642.2 Ų42.271%0.71124%0.235SC*.THydrogen-bonded Turntrans-87.4-14.7172.800000114.3N724 L726N724-A728 PolarHBondContact O-N 2.96Å; L726-A728 PolarHBondContact O-N 3.39Å
729L54.9Low65.9Low121 Ų12140.9 Ų40.963%0.63423%0.23SC*.THydrogen-bonded Turntrans-110.4-28.2-174.8-69.2171.4000113.7K725 L726K725-L729 HydrophobicContact CG-CD1 4.12Å; K725-L729 WeakPolarHBondContact O-CD1 3.34Å; K725-L729 VanDerWaalsContact O-CG 3.25Å; K725-L729 WeakPolarHBondContact O-CG 3.47Å; K725-L729 PolarHBondContact O-N 3.02Å; L726-L729 PolarHBondContact O-N 3.26Å
730L57.2Low66Low20 Ų2041.8 Ų41.811%0.10523%0.233CC..  trans-79138.4177.7-66.8171.2000110.2L726 C735 I736 L739 L835L726-L730 HydrophobicContact CB-CD1 3.96Å; L726-L730 HydrophobicContact CB-CG 4.33Å; L726-L730 WeakPolarHBondContact O-CB 3.37Å; L726-L730 VanDerWaalsContact O-CG 3.31Å; L726-L730 WeakPolarHBondContact O-CG 3.38Å; L726-L730 PolarHBondContact O-N 3.49Å; L730-C735 HydrophobicContact CD1-CB 4.34Å; L730-I736 HydrophobicContact CB-CD1 4.29Å; L730-I736 HydrophobicContact CB-CG1 3.89Å; L730-I736 HydrophobicContact CD1-CG1 4.38Å; L730-L739 HydrophobicContact CD1-CD1 3.82Å; L730-L835 HydrophobicContact CD1-CD1 3.56Å
731T48.9Very low66Low69 Ų6943.7 Ų43.742%0.42325%0.248SC..  trans-101.54.9176.4540000113.4D660D660-T731 WeakPolarHBondContact OD1-CB 3.33Å; D660-T731 WeakPolarHBondContact OD1-CG2 3.45Å; D660-T731 PolarHBondContact OD1-OG1 3.13Å
732C53.7Low65.2Low9 Ų943.6 Ų43.66%0.06126%0.263CS..  trans-115.2115.4-175174.60000110.7D734 C735 I736 H820C732-D734 PolarHBondContact O-N 3.47Å; C732-C735 HydrophobicContact CB-CB 4.16Å; C732-C735 PolarHBondContact O-N 2.88Å; C732-C735 VanDerWaalsContact SG-SG 3.66Å; C732-I736 WeakPolarHBondContact O-CG1 3.38Å; C732-I736 PolarHBondContact O-N 3.32Å; C732-I736 VanDerWaalsContact O-N 3.1Å; C732-H820 PolarHBondContact SG-CE1 3.05Å; C732-H820 PolarHBondContact SG-NE2 3.11Å
733E57.2Low64.1Low79 Ų7949.1 Ų49.137%0.36929%0.292SS..Hα-helixtrans-66.1-37.5-173.8-62.2-169.6-167.400112.7N470 C735 I736 T737N470-E733 PolarHBondContact ND2-OE2 3.1Å; E733-C735 VanDerWaalsContact C-N 3.29Å; E733-C735 PolarHBondContact O-N 2.97Å; E733-I736 CarbonylContact O-C 3.57Å; E733-I736 WeakPolarHBondContact O-CA 3.43Å; E733-I736 WeakPolarHBondContact O-CB 3.33Å; E733-I736 PolarHBondContact O-N 2.84Å; E733-T737 WeakPolarHBondContact O-CG2 3.4Å; E733-T737 PolarHBondContact O-N 2.81Å; E733-T737 PolarHBondContact O-OG1 2.84Å
734D59.4Low62.9Low74 Ų7455.6 Ų55.640%0.39633%0.326SS..Hα-helixtrans-61.9-35.4174.4-51.6-67.7000112.8C732 I736 T737 A738 L817 H820C732-D734 PolarHBondContact O-N 3.47Å; D734-I736 VanDerWaalsContact C-N 3.34Å; D734-T737 WeakPolarHBondContact CA-OG1 3.38Å; D734-T737 PolarHBondContact O-OG1 3.43Å; D734-T737 VanDerWaalsContact O-OG1 3.06Å; D734-A738 WeakPolarHBondContact O-CB 3.5Å; D734-A738 PolarHBondContact O-N 3.32Å; D734-A738 VanDerWaalsContact O-N 3.16Å; D734-L817 HydrophobicContact CB-CD2 4.24Å; D734-L817 WeakPolarHBondContact O-CD2 3.4Å; D734-H820 IonicContact OD2-CE1 3.35Å; D734-H820 PolarHBondContact OD2-CE1 3.3Å; D734-H820 IonicContact OD2-ND1 2.67Å; D734-H820 PolarHBondContact OD2-ND1 3.28Å
735C66.6Low61.6Low4 Ų463.1 Ų63.13%0.02736%0.357CS..Hα-helixtrans-74.2-25.9174-65.90000112.4L730 C732 E733 L739 H820 L835L730-C735 HydrophobicContact CD1-CB 4.34Å; C732-C735 HydrophobicContact CB-CB 4.16Å; C732-C735 PolarHBondContact O-N 2.88Å; C732-C735 VanDerWaalsContact SG-SG 3.66Å; E733-C735 VanDerWaalsContact C-N 3.29Å; E733-C735 PolarHBondContact O-N 2.97Å; C735-L739 WeakPolarHBondContact O-CG 3.46Å; C735-H820 PolarHBondContact SG-NE2 3.41Å; C735-L835 HydrophobicContact CB-CD1 4.32Å; C735-L835 HydrophobicContact CB-CD2 4.28Å
736I65.8Low60.2Low34 Ų3463.9 Ų63.917%0.17438%0.377CS..Hα-helixtrans-78-44.7175.4-65.6165.8000110.2L730 C732 E733 D734 A738 L739 Y740L730-I736 HydrophobicContact CB-CD1 4.29Å; L730-I736 HydrophobicContact CB-CG1 3.89Å; L730-I736 HydrophobicContact CD1-CG1 4.38Å; C732-I736 WeakPolarHBondContact O-CG1 3.38Å; C732-I736 PolarHBondContact O-N 3.32Å; C732-I736 VanDerWaalsContact O-N 3.1Å; E733-I736 CarbonylContact O-C 3.57Å; E733-I736 WeakPolarHBondContact O-CA 3.43Å; E733-I736 WeakPolarHBondContact O-CB 3.33Å; E733-I736 PolarHBondContact O-N 2.84Å; D734-I736 VanDerWaalsContact C-N 3.34Å; I736-A738 VanDerWaalsContact C-N 3.31Å; I736-A738 PolarHBondContact O-N 2.92Å; I736-L739 WeakPolarHBondContact O-CB 3.22Å; I736-L739 PolarHBondContact O-N 3.38Å; I736-L739 VanDerWaalsContact O-N 3.11Å; I736-Y740 HydrophobicContact CG2-CE2 4.13Å; I736-Y740 VanDerWaalsContact O-CD2 3.23Å; I736-Y740 WeakPolarHBondContact O-CD2 3.41Å
737T69.4Low58.8Low89 Ų8966.2 Ų66.255%0.54639%0.394SS..Hα-helixtrans-61.7-40.7177.552.20000110.9E733 D734 L739 Y740E733-T737 WeakPolarHBondContact O-CG2 3.4Å; E733-T737 PolarHBondContact O-N 2.81Å; E733-T737 PolarHBondContact O-OG1 2.84Å; D734-T737 WeakPolarHBondContact CA-OG1 3.38Å; D734-T737 PolarHBondContact O-OG1 3.43Å; D734-T737 VanDerWaalsContact O-OG1 3.06Å; T737-L739 PolarHBondContact O-N 2.72Å; T737-L739 VanDerWaalsContact O-N 3.1Å; T737-Y740 PolarHBondContact O-N 2.98Å
738A70.4Confident57.8Low11 Ų1174 Ų749%0.09142%0.423CS..THydrogen-bonded Turntrans-60.7-17.5174.800000115.2D734 I736 Y740 S765 F814 L817 L835D734-A738 WeakPolarHBondContact O-CB 3.5Å; D734-A738 PolarHBondContact O-N 3.32Å; D734-A738 VanDerWaalsContact O-N 3.16Å; I736-A738 VanDerWaalsContact C-N 3.31Å; I736-A738 PolarHBondContact O-N 2.92Å; A738-Y740 VanDerWaalsContact C-N 3.31Å; A738-S765 VanDerWaalsContact O-CB 3.29Å; A738-S765 WeakPolarHBondContact O-CB 3.39Å; A738-S765 PolarHBondContact O-OG 3.14Å; A738-F814 HydrophobicContact CB-CD1 4.11Å; A738-F814 WeakPolarHBondContact O-CD1 3.49Å; A738-F814 VanDerWaalsContact O-CE1 3.24Å; A738-F814 WeakPolarHBondContact O-CE1 3.45Å; A738-L817 HydrophobicContact CB-CD1 3.67Å; A738-L817 HydrophobicContact CB-CD2 4.08Å; A738-L817 HydrophobicContact CB-CG 3.73Å; A738-L835 HydrophobicContact CB-CD2 4.49Å
739L71.2Confident56.5Low0 Ų075 Ų750%042%0.416CS..THydrogen-bonded Turntrans-79.2-12.9172.9-67.1169.1000113.2A723 L726 L730 C735 I736 T737 P764 S765 L768 L835 I839A723-L739 HydrophobicContact CB-CB 4.41Å; L726-L739 HydrophobicContact CB-CD1 3.73Å; L726-L739 HydrophobicContact CD1-CD1 4.35Å; L726-L739 HydrophobicContact CD1-CD2 4.3Å; L730-L739 HydrophobicContact CD1-CD1 3.82Å; C735-L739 WeakPolarHBondContact O-CG 3.46Å; I736-L739 WeakPolarHBondContact O-CB 3.22Å; I736-L739 PolarHBondContact O-N 3.38Å; I736-L739 VanDerWaalsContact O-N 3.11Å; T737-L739 PolarHBondContact O-N 2.72Å; T737-L739 VanDerWaalsContact O-N 3.1Å; L739-P764 WeakPolarHBondContact O-CA 3.45Å; L739-S765 PolarHBondContact O-N 3.44Å; L739-L768 HydrophobicContact CB-CD2 4.4Å; L739-L768 HydrophobicContact CD2-CD1 3.87Å; L739-L768 HydrophobicContact CD2-CD2 3.94Å; L739-L768 HydrophobicContact CD2-CG 4.37Å; L739-L835 HydrophobicContact CD1-CD1 4.35Å; L739-L835 HydrophobicContact CD2-CD1 4.03Å; L739-L835 HydrophobicContact CG-CD1 4.24Å; L739-I839 HydrophobicContact CD2-CD1 3.96Å; L739-I839 HydrophobicContact CD2-CG1 4.22Å
740Y76.9Confident55.9Low18 Ų1869.9 Ų69.97%0.07139%0.391CS..BIsolated β-bridgetrans-120.4157.2-177.1-60-76.2000111.8A723 N724 S727 I736 T737 A738 V755 K757 H762 F763 S765A723-Y740 HydrophobicContact CB-CE1 3.87Å; A723-Y740 PolarHBondContact O-OH 3.46Å; N724-Y740 PolarHBondContact OD1-OH 3.25Å; S727-Y740 PolarHBondContact OG-OH 3.22Å; I736-Y740 HydrophobicContact CG2-CE2 4.13Å; I736-Y740 VanDerWaalsContact O-CD2 3.23Å; I736-Y740 WeakPolarHBondContact O-CD2 3.41Å; T737-Y740 PolarHBondContact O-N 2.98Å; A738-Y740 VanDerWaalsContact C-N 3.31Å; Y740-V755 HydrophobicContact CE1-CB 4.42Å; Y740-V755 HydrophobicContact CE1-CG2 4.25Å; Y740-K757 VanDerWaalsContact CE2-NZ 3.27Å; Y740-K757 WeakPolarHBondContact OH-CE 3.49Å; Y740-K757 PolarHBondContact OH-NZ 3.09Å; Y740-H762 HydrophobicContact CD1-CB 3.71Å; Y740-H762 HydrophobicContact CE1-CB 4.07Å; Y740-H762 HydrophobicContact CG-CB 4.32Å; Y740-F763 CarbonylContact C-O 3.51Å; Y740-F763 WeakPolarHBondContact CA-O 3.47Å; Y740-F763 WeakPolarHBondContact CB-O 3.39Å; Y740-S765 WeakPolarHBondContact O-CB 3.24Å
741A69.7Low55.4Low49 Ų4971.5 Ų71.541%0.40541%0.405SS..  trans-79.3137.8177.800000112F763A741-F763 HydrophobicContact CB-CB 4.29Å; A741-F763 PolarHBondContact N-O 3.3Å
742S54.9Low55.5Low103 Ų10370.7 Ų70.772%0.7240%0.397SS*.SBendtrans-73.3-32.9-179.1-35.60000113.4
743D52.7Low55.3Low116 Ų11671.5 Ų71.562%0.6240%0.401SS*.  trans-115.3117.3-172.4-83.2-53.4000113K745D743-K745 PolarHBondContact O-N 3.45Å
744L50.2Low55.2Low136 Ų13668.9 Ų68.971%0.71239%0.388SS*.THydrogen-bonded Turntrans-68.3-9.2169.3-89.1141.9000113.9F763L744-F763 HydrophobicContact CD2-CD2 4.48Å; L744-F763 HydrophobicContact CD2-CE2 3.87Å
745K44.6Very low54.9Low197 Ų19765.6 Ų65.686%0.85737%0.371SS*.THydrogen-bonded Turntrans-96.3-9.1-171.1-68.7-174.2176.3-178.40115.2D743D743-K745 PolarHBondContact O-N 3.45Å
746A40.3Very low53.9Low88 Ų8871.4 Ų71.473%0.72740%0.396SS*.SBendtrans-92.3-2.9-165.200000116.2
747S40.2Very low53.1Low55 Ų5573 Ų7339%0.38540%0.401SS..  trans-140.780-178.662.20000114.2I749S747-I749 PolarHBondContact O-N 3.08Å
748K44Very low51.7Low197 Ų19776 Ų7686%0.85741%0.407SS*.  trans-71.876.4151.2-73.5-173.9174.9-174.30109
749I38.1Very low50.1Low107 Ų10782.9 Ų82.955%0.54944%0.442SS..  trans-140.9123.9172.7-55.6-179.3000106.9L708 S747L708-I749 HydrophobicContact CD1-CG2 4.42Å; S747-I749 PolarHBondContact O-N 3.08Å
750G43.4Very low49.2Very low12 Ų1284.5 Ų84.512%0.12446%0.459CS..SBendtrans-65.3159-166.800000116
751S46.4Very low48Very low55 Ų5588 Ų8839%0.38548%0.478SS..  trans58.853.5173.667.60000116.2
752L49.6Very low47.6Very low51 Ų5188.5 Ų88.527%0.26747%0.472SS..  trans-95.5128.7174.7-65.3175.4000112.5I716 F763I716-L752 HydrophobicContact CD1-CD2 4.02Å; L752-F763 HydrophobicContact CB-CD1 4.4Å; L752-F763 HydrophobicContact CB-CE1 4Å; L752-F763 HydrophobicContact CD1-CE1 4.43Å
753L50.8Low48.2Very low27 Ų2786.1 Ų86.114%0.14145%0.449CS..  trans-73.7132.7173.8-72.7142.3000110.7I692 Q694 I716 C717I692-L753 HydrophobicContact CG2-CD2 3.84Å; Q694-L753 HydrophobicContact CG-CD2 3.59Å; I716-L753 HydrophobicContact CG2-CB 4.27Å; I716-L753 HydrophobicContact CG2-CD1 4.33Å; C717-L753 HydrophobicContact CB-CD1 4.33Å; C717-L753 WeakPolarHBondContact SG-CD1 3.43Å
754F55.4Low49.2Very low24 Ų2481.4 Ų81.411%0.10543%0.425CS..BIsolated β-bridgetrans-115.9156.3-177.755.5-96.6000112.5C693 D695 K756 L761C693-F754 HydrophobicContact CB-CE2 3.66Å; C693-F754 HydrophobicContact CB-CZ 3.77Å; C693-F754 WeakPolarHBondContact O-CE1 3.45Å; C693-F754 WeakPolarHBondContact O-CZ 3.35Å; D695-F754 HydrophobicContact CB-CE1 3.52Å; D695-F754 HydrophobicContact CB-CZ 3.77Å; F754-K756 HydrophobicContact CD2-CB 4.44Å; F754-K756 HydrophobicContact CE2-CB 4.43Å; F754-L761 HydrophobicContact CB-CD2 4.08Å; F754-L761 HydrophobicContact CD1-CD2 4.38Å; F754-L761 HydrophobicContact CD2-CD2 3.21Å; F754-L761 HydrophobicContact CE2-CD2 3.59Å; F754-L761 HydrophobicContact CG-CD2 3.65Å; F754-L761 HydrophobicContact CZ-CD2 4.33Å
755V51.6Low50.5Low4 Ų475.5 Ų75.52%0.02440%0.395CS..EExtended strand (participates in β ladder)trans-97.5116.6166.2173.80000107.9N724 Y740 K757 H762N724-V755 WeakPolarHBondContact OD1-CG1 3.19Å; N724-V755 WeakPolarHBondContact OD1-CG2 3.26Å; Y740-V755 HydrophobicContact CE1-CB 4.42Å; Y740-V755 HydrophobicContact CE1-CG2 4.25Å; V755-K757 HydrophobicContact CG1-CG 3.99Å; V755-H762 HydrophobicContact CB-CB 4.48Å; V755-H762 PolarHBondContact N-O 3.28Å; V755-H762 PolarHBondContact O-N 3.06Å
756K45.8Very low51.9Low126 Ų12672.1 Ų72.155%0.54838%0.382SS..EExtended strand (participates in β ladder)trans-82.3123.9171.1-165.8173.7-177.8-179.60109.2F754F754-K756 HydrophobicContact CD2-CB 4.44Å; F754-K756 HydrophobicContact CE2-CB 4.43Å
757K49.8Very low53.5Low68 Ų6868.3 Ų68.330%0.29635%0.352SS..EExtended strand (participates in β ladder)trans-121.4163.7168.9-63.8-171.9-177176.40109Y740 V755 N759 G760Y740-K757 VanDerWaalsContact CE2-NZ 3.27Å; Y740-K757 WeakPolarHBondContact OH-CE 3.49Å; Y740-K757 PolarHBondContact OH-NZ 3.09Å; V755-K757 HydrophobicContact CG1-CG 3.99Å; K757-N759 PolarHBondContact O-N 3.49Å; K757-G760 PolarHBondContact N-O 2.95Å; K757-G760 PolarHBondContact O-N 3.49Å
758K38.8Very low55.3Low153 Ų15365.7 Ų65.767%0.66533%0.333SS*.THydrogen-bonded Turntrans-54.7-19174.6-75.8-178.6173.8173.40114.2L686L686-K758 PolarHBondContact O-NZ 3.41Å
759N37.6Very low56.9Low154 Ų15458.1 Ų58.182%0.82431%0.305SS*.THydrogen-bonded Turntrans-111.29.9-177.8-60.125.6000113.5K757K757-N759 PolarHBondContact O-N 3.49Å
760G52.5Low58.7Low35 Ų3558.8 Ų58.836%0.36130%0.3SS..EExtended strand (participates in β ladder)trans136.3-171.3174.800000116.1K757K757-G760 PolarHBondContact N-O 2.95Å; K757-G760 PolarHBondContact O-N 3.49Å
761L52.7Low60.4Low90 Ų9058.2 Ų58.247%0.47129%0.294SS..EExtended strand (participates in β ladder)trans-92.8126.9177.1-66.1165.6000109.7F754F754-L761 HydrophobicContact CB-CD2 4.08Å; F754-L761 HydrophobicContact CD1-CD2 4.38Å; F754-L761 HydrophobicContact CD2-CD2 3.21Å; F754-L761 HydrophobicContact CE2-CD2 3.59Å; F754-L761 HydrophobicContact CG-CD2 3.65Å; F754-L761 HydrophobicContact CZ-CD2 4.33Å
762H60.7Low62.1Low61 Ų6155.6 Ų55.628%0.28228%0.276SS..EExtended strand (participates in β ladder)trans-122136.3178.9-59.3-84.6000112.2Y740 V755Y740-H762 HydrophobicContact CD1-CB 3.71Å; Y740-H762 HydrophobicContact CE1-CB 4.07Å; Y740-H762 HydrophobicContact CG-CB 4.32Å; V755-H762 HydrophobicContact CB-CB 4.48Å; V755-H762 PolarHBondContact N-O 3.28Å; V755-H762 PolarHBondContact O-N 3.06Å
763F67.4Low63.6Low53 Ų5356.8 Ų56.823%0.23228%0.283CS..PPolyproline II helixtrans-99.7143.5176-62.2-79.2000111Y740 A741 L744 L752Y740-F763 CarbonylContact C-O 3.51Å; Y740-F763 WeakPolarHBondContact CA-O 3.47Å; Y740-F763 WeakPolarHBondContact CB-O 3.39Å; A741-F763 HydrophobicContact CB-CB 4.29Å; A741-F763 PolarHBondContact N-O 3.3Å; L744-F763 HydrophobicContact CD2-CD2 4.48Å; L744-F763 HydrophobicContact CD2-CE2 3.87Å; L752-F763 HydrophobicContact CB-CD1 4.4Å; L752-F763 HydrophobicContact CB-CE1 4Å; L752-F763 HydrophobicContact CD1-CE1 4.43Å
764P73.5Confident64.9Low17 Ų1756.1 Ų56.111%0.1128%0.279CS..BIsolated β-bridgetrans-64.8144.1173.128.4-34000111A719 L739 L768A719-P764 HydrophobicContact CB-CB 3.88Å; A719-P764 HydrophobicContact CB-CG 4.06Å; L739-P764 WeakPolarHBondContact O-CA 3.45Å; P764-L768 HydrophobicContact CB-CD2 4.12Å
765S77.8Confident66.2Low11 Ų1155 Ų558%0.07727%0.274CS..PPolyproline II helixtrans-68.1152.2-178.968.90000112.5A738 L739 Y740 G767 L768 C769A738-S765 VanDerWaalsContact O-CB 3.29Å; A738-S765 WeakPolarHBondContact O-CB 3.39Å; A738-S765 PolarHBondContact O-OG 3.14Å; L739-S765 PolarHBondContact O-N 3.44Å; Y740-S765 WeakPolarHBondContact O-CB 3.24Å; S765-G767 PolarHBondContact O-N 3.08Å; S765-L768 PolarHBondContact O-N 3.07Å; S765-L768 VanDerWaalsContact O-N 3.12Å; S765-L768 WeakPolarHBondContact OG-CB 3.4Å; S765-L768 PolarHBondContact OG-N 3.08Å; S765-C769 PolarHBondContact O-N 3.36Å; S765-C769 VanDerWaalsContact O-N 3.09Å
766E73.2Confident67.6Low126 Ų12654.9 Ų54.959%0.58927%0.274SS*.Hα-helixtrans-59.9-36177-155.3-158.8157.500111.5C769 R770E766-C769 PolarHBondContact O-N 2.87Å; E766-R770 VanDerWaalsContact CD-NH2 3.29Å; E766-R770 WeakPolarHBondContact O-CB 3.4Å; E766-R770 VanDerWaalsContact O-CG 3.26Å; E766-R770 WeakPolarHBondContact O-CG 3.37Å; E766-R770 PolarHBondContact O-N 3.2Å; E766-R770 IonicContact OE1-CZ 3.98Å; E766-R770 IonicContact OE1-NE 3.15Å; E766-R770 PolarHBondContact OE1-NE 3.21Å; E766-R770 IonicContact OE1-NH2 3.9Å; E766-R770 PolarHBondContact OE1-NH2 3.4Å; E766-R770 IonicContact OE2-CZ 2.78Å; E766-R770 IonicContact OE2-NH2 3.95Å; E766-R770 PolarHBondContact OE2-NH2 3.16Å
767G74.2Confident69.3Low9 Ų954.8 Ų54.89%0.09327%0.27CS..Hα-helixtrans-56.7-47.9172.900000113.1S765 R770 V771 L813S765-G767 PolarHBondContact O-N 3.08Å; G767-R770 PolarHBondContact O-N 3.33Å; G767-V771 WeakPolarHBondContact O-CG2 3.49Å; G767-V771 PolarHBondContact O-N 3.06Å; G767-L813 WeakPolarHBondContact CA-O 3.36Å
768L78.9Confident70.7Confident0 Ų051.5 Ų51.50%026%0.256CS..Hα-helixtrans-63-44.1177.2179.161.4000111.9A719 V722 A723 L739 P764 S765 R770 V771 I772 I839A719-L768 HydrophobicContact CB-CD2 4.4Å; A719-L768 HydrophobicContact CB-CG 4.37Å; V722-L768 HydrophobicContact CG1-CD1 4.17Å; A723-L768 HydrophobicContact CB-CD2 3.74Å; L739-L768 HydrophobicContact CB-CD2 4.4Å; L739-L768 HydrophobicContact CD2-CD1 3.87Å; L739-L768 HydrophobicContact CD2-CD2 3.94Å; L739-L768 HydrophobicContact CD2-CG 4.37Å; P764-L768 HydrophobicContact CB-CD2 4.12Å; S765-L768 PolarHBondContact O-N 3.07Å; S765-L768 VanDerWaalsContact O-N 3.12Å; S765-L768 WeakPolarHBondContact OG-CB 3.4Å; S765-L768 PolarHBondContact OG-N 3.08Å; L768-R770 VanDerWaalsContact C-N 3.35Å; L768-R770 PolarHBondContact O-N 2.79Å; L768-V771 PolarHBondContact O-N 3.07Å; L768-I772 HydrophobicContact CD1-CD1 3.76Å; L768-I772 HydrophobicContact CD1-CG1 4.33Å; L768-I772 HydrophobicContact CG-CD1 3.96Å; L768-I772 WeakPolarHBondContact O-CG1 3.49Å; L768-I772 PolarHBondContact O-N 3.38Å; L768-I839 HydrophobicContact CD1-CD1 3.7Å; L768-I839 HydrophobicContact CD1-CG1 3.85Å; L768-I839 HydrophobicContact CD1-CG2 3.96Å
769C77.1Confident72.7Confident38 Ų3845.1 Ų45.126%0.25723%0.229SC..Hα-helixtrans-61.5-40.5176.5-70.50000112.3S765 E766 I772 N773S765-C769 PolarHBondContact O-N 3.36Å; S765-C769 VanDerWaalsContact O-N 3.09Å; E766-C769 PolarHBondContact O-N 2.87Å; C769-I772 PolarHBondContact O-N 2.91Å; C769-N773 WeakPolarHBondContact O-CB 3.12Å; C769-N773 PolarHBondContact O-N 3.23Å
770R75.9Confident74.5Confident120 Ų12042.6 Ų42.645%0.45321%0.208SC..Hα-helixtrans-63.5-45174.8-72.5170.4179.6-161.73.9111.9E766 G767 L768 N773 I774 L813E766-R770 VanDerWaalsContact CD-NH2 3.29Å; E766-R770 WeakPolarHBondContact O-CB 3.4Å; E766-R770 VanDerWaalsContact O-CG 3.26Å; E766-R770 WeakPolarHBondContact O-CG 3.37Å; E766-R770 PolarHBondContact O-N 3.2Å; E766-R770 IonicContact OE1-CZ 3.98Å; E766-R770 IonicContact OE1-NE 3.15Å; E766-R770 PolarHBondContact OE1-NE 3.21Å; E766-R770 IonicContact OE1-NH2 3.9Å; E766-R770 PolarHBondContact OE1-NH2 3.4Å; E766-R770 IonicContact OE2-CZ 2.78Å; E766-R770 IonicContact OE2-NH2 3.95Å; E766-R770 PolarHBondContact OE2-NH2 3.16Å; G767-R770 PolarHBondContact O-N 3.33Å; L768-R770 VanDerWaalsContact C-N 3.35Å; L768-R770 PolarHBondContact O-N 2.79Å; R770-N773 PolarHBondContact O-N 2.87Å; R770-I774 WeakPolarHBondContact O-CG1 3.35Å; R770-I774 PolarHBondContact O-N 3Å; R770-L813 HydrophobicContact CB-CD2 4Å
771V79.6Confident75.6Confident0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-60.2-47.1176.1174.50000111.2G767 L768 N773 I774 C775 L807 L813 F814 L836 I839G767-V771 WeakPolarHBondContact O-CG2 3.49Å; G767-V771 PolarHBondContact O-N 3.06Å; L768-V771 PolarHBondContact O-N 3.07Å; V771-N773 PolarHBondContact O-N 3.15Å; V771-I774 PolarHBondContact O-N 3.31Å; V771-C775 PolarHBondContact O-N 2.88Å; V771-C775 PolarHBondContact O-SG 2.8Å; V771-L807 HydrophobicContact CG1-CD1 4.14Å; V771-L807 HydrophobicContact CG1-CD2 4.38Å; V771-L807 HydrophobicContact CG2-CD2 4.18Å; V771-L813 HydrophobicContact CG2-CD1 3.96Å; V771-L813 HydrophobicContact CG2-CD2 4.14Å; V771-L813 HydrophobicContact CG2-CG 4.5Å; V771-F814 HydrophobicContact CG2-CE2 4.45Å; V771-L836 HydrophobicContact CG2-CD1 4.46Å; V771-I839 HydrophobicContact CB-CG2 4.46Å; V771-I839 HydrophobicContact CG1-CG2 3.62Å
772I81.6Confident76.5Confident0 Ų042.4 Ų42.40%020%0.201CC..Hα-helixtrans-68.1-33.6-177.3-73.4170.5000112.5L715 A719 V722 L768 C769 C775 E776 I839 F843L715-I772 HydrophobicContact CD2-CG2 4.04Å; A719-I772 VanDerWaalsContact CA-CD1 3.43Å; A719-I772 HydrophobicContact CB-CD1 3.9Å; V722-I772 HydrophobicContact CB-CD1 4.03Å; V722-I772 HydrophobicContact CG1-CD1 4.34Å; V722-I772 HydrophobicContact CG2-CD1 4.09Å; L768-I772 HydrophobicContact CD1-CD1 3.76Å; L768-I772 HydrophobicContact CD1-CG1 4.33Å; L768-I772 HydrophobicContact CG-CD1 3.96Å; L768-I772 WeakPolarHBondContact O-CG1 3.49Å; L768-I772 PolarHBondContact O-N 3.38Å; C769-I772 PolarHBondContact O-N 2.91Å; I772-C775 PolarHBondContact O-N 3.39Å; I772-E776 PolarHBondContact O-N 2.99Å; I772-I839 HydrophobicContact CG1-CG2 4.27Å; I772-F843 HydrophobicContact CG1-CD2 4.43Å; I772-F843 HydrophobicContact CG2-CD2 3.99Å; I772-F843 HydrophobicContact CG2-CE2 3.87Å
773N80.4Confident76.7Confident77 Ų7741.7 Ų41.741%0.41220%0.203SC..Hα-helixtrans-61.1-43.4171.3-172.627.6000111.9L715 C769 R770 V771 E776 R777L715-N773 HydrophobicContact CD1-CB 4.22Å; C769-N773 WeakPolarHBondContact O-CB 3.12Å; C769-N773 PolarHBondContact O-N 3.23Å; R770-N773 PolarHBondContact O-N 2.87Å; V771-N773 PolarHBondContact O-N 3.15Å; N773-E776 PolarHBondContact O-N 3.13Å; N773-R777 WeakPolarHBondContact O-CB 3.42Å; N773-R777 PolarHBondContact O-N 2.88Å
774I79.2Confident76.2Confident12 Ų1249.9 Ų49.96%0.06223%0.232CC..Hα-helixtrans-65.1-44175.3-66.4166000110.5R770 V771 E776 R777 V778 E806 L807R770-I774 WeakPolarHBondContact O-CG1 3.35Å; R770-I774 PolarHBondContact O-N 3Å; V771-I774 PolarHBondContact O-N 3.31Å; I774-E776 PolarHBondContact O-N 3.45Å; I774-R777 PolarHBondContact O-N 3.08Å; I774-V778 HydrophobicContact CG2-CG2 4.29Å; I774-V778 VanDerWaalsContact O-CG2 3.31Å; I774-V778 WeakPolarHBondContact O-CG2 3.44Å; I774-V778 PolarHBondContact O-N 3.38Å; I774-E806 HydrophobicContact CG2-CB 3.91Å; I774-L807 HydrophobicContact CB-CD2 4.12Å; I774-L807 HydrophobicContact CD1-CD2 3.56Å; I774-L807 HydrophobicContact CG1-CD2 4.44Å; I774-L807 HydrophobicContact CG2-CD2 4.01Å; I774-L807 HydrophobicContact CG2-CG 4.03Å
775C81.2Confident75.4Confident0 Ų053.3 Ų53.30%025%0.248CC..Hα-helixtrans-56.3-50.3175-64.70000112.7V771 I772 V778 V779 I803 F843V771-C775 PolarHBondContact O-N 2.88Å; V771-C775 PolarHBondContact O-SG 2.8Å; I772-C775 PolarHBondContact O-N 3.39Å; C775-V778 PolarHBondContact O-N 3.17Å; C775-V779 WeakPolarHBondContact O-CB 3.17Å; C775-V779 VanDerWaalsContact O-CG2 3.25Å; C775-V779 WeakPolarHBondContact O-CG2 3.37Å; C775-V779 PolarHBondContact O-N 2.98Å; C775-I803 HydrophobicContact CB-CD1 4.4Å; C775-F843 HydrophobicContact CB-CD1 3.47Å; C775-F843 VanDerWaalsContact CB-CD1 3.47Å; C775-F843 HydrophobicContact CB-CE1 3.57Å; C775-F843 HydrophobicContact CB-CG 4.09Å; C775-F843 HydrophobicContact CB-CZ 4.26Å
776E82.2Confident73.9Confident3 Ų358 Ų581%0.01429%0.288CS..Hα-helixtrans-67.5-34.5179-179.266.8179.400111.7L715 I772 N773 I774 R780 F843 R847L715-E776 HydrophobicContact CD2-CB 3.9Å; L715-E776 HydrophobicContact CD2-CG 4.28Å; I772-E776 PolarHBondContact O-N 2.99Å; N773-E776 PolarHBondContact O-N 3.13Å; I774-E776 PolarHBondContact O-N 3.45Å; E776-R780 HydrophobicContact CG-CG 4.45Å; E776-R780 WeakPolarHBondContact O-CB 3.37Å; E776-R780 VanDerWaalsContact O-CG 3.24Å; E776-R780 WeakPolarHBondContact O-CG 3.39Å; E776-R780 PolarHBondContact O-N 3.06Å; E776-R780 IonicContact OE1-CZ 2.82Å; E776-R780 IonicContact OE1-NE 3.93Å; E776-R780 PolarHBondContact OE1-NE 3.23Å; E776-R780 IonicContact OE1-NH2 3.32Å; E776-R780 PolarHBondContact OE1-NH2 3.07Å; E776-F843 HydrophobicContact CB-CZ 3.87Å; E776-R847 IonicContact OE1-CZ 3.42Å; E776-R847 IonicContact OE1-NE 3.79Å; E776-R847 IonicContact OE1-NH2 3.61Å; E776-R847 PolarHBondContact OE1-NH2 3.25Å; E776-R847 IonicContact OE2-CZ 3.96Å; E776-R847 IonicContact OE2-NE 3.97Å; E776-R847 PolarHBondContact OE2-NE 2.91Å; E776-R847 IonicContact OE2-NH2 2.89Å
777R80.8Confident72.7Confident123 Ų12355.5 Ų55.546%0.46428%0.277SS..Hα-helixtrans-60.2-53173.8-178.417573.1-171-0.8111.4N773 I774 R780 T781 E806N773-R777 WeakPolarHBondContact O-CB 3.42Å; N773-R777 PolarHBondContact O-N 2.88Å; I774-R777 PolarHBondContact O-N 3.08Å; R777-R780 PolarHBondContact O-N 3.13Å; R777-T781 PolarHBondContact O-N 3.36Å; R777-T781 PolarHBondContact O-OG1 3.37Å; R777-T781 VanDerWaalsContact O-OG1 3.06Å; R777-E806 IonicContact CZ-OE2 3.37Å; R777-E806 IonicContact NE-OE2 3.14Å; R777-E806 PolarHBondContact NE-OE2 3.27Å; R777-E806 IonicContact NH2-OE2 2.73Å; R777-E806 PolarHBondContact NH2-OE2 2.82Å
778V79.6Confident71.5Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-65.2-39.5-178.8177.20000111.2I774 C775 T781 H782 K802 I803 E806I774-V778 HydrophobicContact CG2-CG2 4.29Å; I774-V778 VanDerWaalsContact O-CG2 3.31Å; I774-V778 WeakPolarHBondContact O-CG2 3.44Å; I774-V778 PolarHBondContact O-N 3.38Å; C775-V778 PolarHBondContact O-N 3.17Å; V778-T781 WeakPolarHBondContact CA-OG1 3.45Å; V778-T781 PolarHBondContact O-OG1 3.17Å; V778-H782 WeakPolarHBondContact O-CB 3.25Å; V778-H782 PolarHBondContact O-CD2 2.82Å; V778-H782 VanDerWaalsContact O-CD2 3.29Å; V778-H782 PolarHBondContact O-N 3.25Å; V778-H782 VanDerWaalsContact O-N 3.08Å; V778-K802 HydrophobicContact CG1-CB 3.91Å; V778-I803 HydrophobicContact CB-CG1 3.8Å; V778-I803 HydrophobicContact CG1-CG1 3.61Å; V778-I803 HydrophobicContact CG2-CG1 4.33Å; V778-E806 HydrophobicContact CG2-CB 4.38Å; V778-E806 HydrophobicContact CG2-CG 3.98Å; V778-E806 WeakPolarHBondContact CG2-OE2 3.31Å
779V80.3Confident70Confident18 Ų1870.6 Ų70.611%0.10934%0.344CS..Hα-helixtrans-63.3-40.9173.9169.30000111.2C775 S783 I803 F843 L844 R847C775-V779 WeakPolarHBondContact O-CB 3.17Å; C775-V779 VanDerWaalsContact O-CG2 3.25Å; C775-V779 WeakPolarHBondContact O-CG2 3.37Å; C775-V779 PolarHBondContact O-N 2.98Å; V779-S783 WeakPolarHBondContact O-CB 3.35Å; V779-S783 PolarHBondContact O-N 3.25Å; V779-S783 PolarHBondContact O-OG 3.2Å; V779-S783 VanDerWaalsContact O-OG 3.14Å; V779-I803 HydrophobicContact CG2-CD1 4.47Å; V779-F843 HydrophobicContact CG2-CE1 4.36Å; V779-L844 HydrophobicContact CG2-CD2 3.72Å; V779-R847 HydrophobicContact CG1-CG 4.41Å
780R76.5Confident68.9Low101 Ų10172 Ų7238%0.38135%0.348SS..Hα-helixtrans-70.7-35.6179.1-77.6178.9-175.7-176.88.3114.6H711 E776 R777 S783H711-R780 PolarHBondContact CD2-NH1 2.77Å; H711-R780 PolarHBondContact CE1-NH1 2.72Å; H711-R780 PolarHBondContact CE1-NH2 3.24Å; H711-R780 PolarHBondContact ND1-NH2 3.19Å; H711-R780 PolarHBondContact NE2-NH1 2.94Å; E776-R780 HydrophobicContact CG-CG 4.45Å; E776-R780 WeakPolarHBondContact O-CB 3.37Å; E776-R780 VanDerWaalsContact O-CG 3.24Å; E776-R780 WeakPolarHBondContact O-CG 3.39Å; E776-R780 PolarHBondContact O-N 3.06Å; E776-R780 IonicContact OE1-CZ 2.82Å; E776-R780 IonicContact OE1-NE 3.93Å; E776-R780 PolarHBondContact OE1-NE 3.23Å; E776-R780 IonicContact OE1-NH2 3.32Å; E776-R780 PolarHBondContact OE1-NH2 3.07Å; R777-R780 PolarHBondContact O-N 3.13Å; R780-S783 WeakPolarHBondContact CA-OG 3.11Å; R780-S783 PolarHBondContact O-OG 3.24Å; R780-S783 VanDerWaalsContact O-OG 3.09Å
781T75.5Confident68.1Low78 Ų7870.5 Ų70.548%0.47935%0.352SS..Hα-helixtrans-70.8-47.1175.3390000110.7R777 V778 S783 R784R777-T781 PolarHBondContact O-N 3.36Å; R777-T781 PolarHBondContact O-OG1 3.37Å; R777-T781 VanDerWaalsContact O-OG1 3.06Å; V778-T781 WeakPolarHBondContact CA-OG1 3.45Å; V778-T781 PolarHBondContact O-OG1 3.17Å; T781-S783 PolarHBondContact O-N 3.44Å; T781-R784 PolarHBondContact O-N 3.02Å
782H71.1Confident67.2Low43 Ų4375.6 Ų75.620%0.19939%0.385CS..Hα-helixtrans-78.4-15-179.6-67.2-62.5000114.5V778 R784 M785 L799V778-H782 WeakPolarHBondContact O-CB 3.25Å; V778-H782 PolarHBondContact O-CD2 2.82Å; V778-H782 VanDerWaalsContact O-CD2 3.29Å; V778-H782 PolarHBondContact O-N 3.25Å; V778-H782 VanDerWaalsContact O-N 3.08Å; H782-R784 PolarHBondContact O-N 3.27Å; H782-M785 PolarHBondContact ND1-SD 3.38Å; H782-L799 HydrophobicContact CB-CD2 3.93Å
783S63.8Low66.1Low47 Ų4783.5 Ų83.533%0.32942%0.42SS..THydrogen-bonded Turntrans-72.7-6.2171.8660000114.5V779 R780 T781 F788V779-S783 WeakPolarHBondContact O-CB 3.35Å; V779-S783 PolarHBondContact O-N 3.25Å; V779-S783 PolarHBondContact O-OG 3.2Å; V779-S783 VanDerWaalsContact O-OG 3.14Å; R780-S783 WeakPolarHBondContact CA-OG 3.11Å; R780-S783 PolarHBondContact O-OG 3.24Å; R780-S783 VanDerWaalsContact O-OG 3.09Å; T781-S783 PolarHBondContact O-N 3.44Å; S783-F788 WeakPolarHBondContact O-CE2 3.3Å; S783-F788 WeakPolarHBondContact O-CZ 3.21Å
784R57.3Low65.1Low225 Ų22584.7 Ų84.785%0.84942%0.423SS*.THydrogen-bonded Turntrans-109.6-2.8178.4-68.3-177.7173.7-179.6-2.7113.9T781 H782T781-R784 PolarHBondContact O-N 3.02Å; H782-R784 PolarHBondContact O-N 3.27Å
785M56.3Low64.4Low88 Ų8888.9 Ų88.943%0.43344%0.438SS..SBendtrans-84.8146.6178.2-62.4-173.678.100110.6H782 I787 F788H782-M785 PolarHBondContact ND1-SD 3.38Å; M785-I787 HydrophobicContact CB-CD1 4.36Å; M785-I787 HydrophobicContact CB-CG1 4.25Å; M785-I787 HydrophobicContact CE-CD1 4.38Å; M785-I787 PolarHBondContact O-N 3.2Å; M785-F788 VanDerWaalsContact O-CD2 3.31Å; M785-F788 WeakPolarHBondContact O-CD2 3.16Å
786A47.5Very low63.8Low111 Ų11192 Ų9292%0.91745%0.452SS*.SBendtrans-73.249.8178.200000113.2
787I48.8Very low62.8Low72 Ų7297.1 Ų97.137%0.36948%0.479SS..  trans-116.745.4176.5-48176.3000107.7M785 L790M785-I787 HydrophobicContact CB-CD1 4.36Å; M785-I787 HydrophobicContact CB-CG1 4.25Å; M785-I787 HydrophobicContact CE-CD1 4.38Å; M785-I787 PolarHBondContact O-N 3.2Å; I787-L790 HydrophobicContact CG2-CD1 3.59Å; I787-L790 HydrophobicContact CG2-CG 4.2Å
788F48.3Very low62.2Low125 Ų12594.4 Ų94.455%0.54847%0.47SS..  trans-91.8-3-175.6-92.7-88.5000114.1S783 M785S783-F788 WeakPolarHBondContact O-CE2 3.3Å; S783-F788 WeakPolarHBondContact O-CZ 3.21Å; M785-F788 VanDerWaalsContact O-CD2 3.31Å; M785-F788 WeakPolarHBondContact O-CD2 3.16Å
789E47.6Very low61.7Low201 Ų20195.4 Ų95.494%0.93948%0.475SS*.  trans-95.911.1179.9-61-172.3158.700114.1
790L53.8Low61.3Low68 Ų6896.3 Ų96.336%0.35648%0.478SS..SBendtrans-85.1137.4174-78.3172.8000112.1I787 Q794I787-L790 HydrophobicContact CG2-CD1 3.59Å; I787-L790 HydrophobicContact CG2-CG 4.2Å; L790-Q794 HydrophobicContact CB-CB 4.4Å; L790-Q794 HydrophobicContact CD2-CB 4.2Å
791V58.6Low60.7Low88 Ų8897.5 Ų97.553%0.53349%0.487SS..  trans-53.6138.7173.5-177.80000109.6K793 Q794 R795V791-K793 PolarHBondContact O-N 3.13Å; V791-Q794 WeakPolarHBondContact O-CB 3.26Å; V791-Q794 PolarHBondContact O-N 2.74Å; V791-R795 PolarHBondContact O-N 2.86Å
792P61Low60.3Low107 Ų10797.9 Ų97.970%0.69548%0.482SS*.Hα-helixtrans-49.6-37.1-171.4-32.836.1000115.8R795 E796P792-R795 PolarHBondContact O-N 3.38Å; P792-E796 PolarHBondContact O-N 3.34Å; P792-E796 VanDerWaalsContact O-N 3.08Å
793K57.8Low60.4Low167 Ų16795.8 Ų95.873%0.72647%0.473SS*.Hα-helixtrans-66.2-36.3176.2-69.7-179.6176.6175.80113.6V791 L797V791-K793 PolarHBondContact O-N 3.13Å; K793-L797 WeakPolarHBondContact O-CG 2.94Å; K793-L797 PolarHBondContact O-N 3.5Å
794Q60.4Low60.4Low101 Ų10196.2 Ų96.247%0.47247%0.471SS..Hα-helixtrans-72.9-38.2177.2-69.2170.7-28.500111L790 V791 E796 L797 Y798L790-Q794 HydrophobicContact CB-CB 4.4Å; L790-Q794 HydrophobicContact CD2-CB 4.2Å; V791-Q794 WeakPolarHBondContact O-CB 3.26Å; V791-Q794 PolarHBondContact O-N 2.74Å; Q794-E796 VanDerWaalsContact C-N 3.34Å; Q794-E796 PolarHBondContact O-N 3.48Å; Q794-L797 PolarHBondContact O-N 3.04Å; Q794-Y798 WeakPolarHBondContact O-CB 2.96Å; Q794-Y798 PolarHBondContact O-N 2.93Å
795R64.9Low60.6Low101 Ų10189.2 Ų89.238%0.38146%0.456SS..Hα-helixtrans-60.4-42.4173.1-174.3-178.5-177.9-175.74.3112V791 P792 L799V791-R795 PolarHBondContact O-N 2.86Å; P792-R795 PolarHBondContact O-N 3.38Å; R795-L799 HydrophobicContact CG-CD1 4.32Å; R795-L799 WeakPolarHBondContact O-CG 3.49Å; R795-L799 PolarHBondContact O-N 3.36Å
796E66.7Low61.1Low65 Ų6588.4 Ų88.430%0.30445%0.451SS..Hα-helixtrans-64.1-47.5177.3-161.4-170.4158.300111.7P792 Q794 Y798 L799 Q800 L844P792-E796 PolarHBondContact O-N 3.34Å; P792-E796 VanDerWaalsContact O-N 3.08Å; Q794-E796 VanDerWaalsContact C-N 3.34Å; Q794-E796 PolarHBondContact O-N 3.48Å; E796-Y798 PolarHBondContact O-N 3.05Å; E796-L799 PolarHBondContact O-N 3.31Å; E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 3.39Å; E796-Q800 PolarHBondContact OE1-NE2 3.48Å; E796-Q800 VanDerWaalsContact OE1-NE2 3.07Å; E796-L844 HydrophobicContact CG-CD1 4.18Å
797L61.6Low61.8Low111 Ų11183.5 Ų83.558%0.58141%0.409SS*.Hα-helixtrans-61.2-41177.2-70.8169000112.6K793 Q794 Q800 Q801K793-L797 WeakPolarHBondContact O-CG 2.94Å; K793-L797 PolarHBondContact O-N 3.5Å; Q794-L797 PolarHBondContact O-N 3.04Å; L797-Q800 PolarHBondContact O-N 2.91Å; L797-Q801 WeakPolarHBondContact O-CB 3.36Å; L797-Q801 PolarHBondContact O-N 3.34Å
798Y68.1Low62.1Low66 Ų6684.6 Ų84.626%0.25942%0.423SS..Hα-helixtrans-61.6-46175.2176.9-93.3000112.2Q794 E796 Q801 K802Q794-Y798 WeakPolarHBondContact O-CB 2.96Å; Q794-Y798 PolarHBondContact O-N 2.93Å; E796-Y798 PolarHBondContact O-N 3.05Å; Y798-Q801 PolarHBondContact O-N 2.95Å; Y798-K802 HydrophobicContact CD1-CG 4.4Å; Y798-K802 HydrophobicContact CE1-CG 3.95Å; Y798-K802 HydrophobicContact CE2-CG 4.39Å; Y798-K802 PolarHBondContact O-N 2.86Å; Y798-K802 WeakPolarHBondContact OH-CE 3.33Å
799L70.6Confident62.1Low21 Ų2181.6 Ų81.611%0.1143%0.427CS..Hα-helixtrans-64.1-44176.8-72.9171.2000111.5H782 R795 E796 Q801 K802 I803 L844H782-L799 HydrophobicContact CB-CD2 3.93Å; R795-L799 HydrophobicContact CG-CD1 4.32Å; R795-L799 WeakPolarHBondContact O-CG 3.49Å; R795-L799 PolarHBondContact O-N 3.36Å; E796-L799 PolarHBondContact O-N 3.31Å; L799-Q801 VanDerWaalsContact C-N 3.32Å; L799-Q801 PolarHBondContact O-N 3.5Å; L799-K802 PolarHBondContact O-N 2.88Å; L799-I803 WeakPolarHBondContact O-CB 3.33Å; L799-I803 WeakPolarHBondContact O-CD1 3.4Å; L799-I803 WeakPolarHBondContact O-CG1 3.24Å; L799-I803 PolarHBondContact O-N 3.14Å; L799-L844 HydrophobicContact CB-CD1 4.44Å; L799-L844 HydrophobicContact CB-CD2 4.45Å; L799-L844 HydrophobicContact CD1-CD2 4.33Å
800Q70.1Confident62.5Low37 Ų3776.2 Ų76.217%0.17340%0.402CS..Hα-helixtrans-56.7-45.3174.5-71.4177.22300111.4E796 L797 L804 I840 L844E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 3.39Å; E796-Q800 PolarHBondContact OE1-NE2 3.48Å; E796-Q800 VanDerWaalsContact OE1-NE2 3.07Å; L797-Q800 PolarHBondContact O-N 2.91Å; Q800-L804 WeakPolarHBondContact O-CB 3.33Å; Q800-L804 WeakPolarHBondContact O-CD1 3.37Å; Q800-L804 WeakPolarHBondContact O-CG 3.31Å; Q800-L804 PolarHBondContact O-N 3.34Å; Q800-I840 HydrophobicContact CG-CG2 3.98Å; Q800-L844 HydrophobicContact CG-CD1 3.72Å
801Q64.4Low62.3Low125 Ų12579 Ų7958%0.58442%0.416SS*.Hα-helixtrans-62.8-46.2178.1-170.7179.910.500112.2L797 Y798 L799 L804 C805L797-Q801 WeakPolarHBondContact O-CB 3.36Å; L797-Q801 PolarHBondContact O-N 3.34Å; Y798-Q801 PolarHBondContact O-N 2.95Å; L799-Q801 VanDerWaalsContact C-N 3.32Å; L799-Q801 PolarHBondContact O-N 3.5Å; Q801-L804 PolarHBondContact O-N 2.94Å; Q801-C805 PolarHBondContact O-N 3.06Å; Q801-C805 PolarHBondContact O-SG 3.34Å
802K68.5Low62.1Low86 Ų8683 Ų8337%0.37442%0.423SS..Hα-helixtrans-65.1-41.4178.9-72.4-67.6-177.2-178.40112.8V778 Y798 L799 L804 C805 E806V778-K802 HydrophobicContact CG1-CB 3.91Å; Y798-K802 HydrophobicContact CD1-CG 4.4Å; Y798-K802 HydrophobicContact CE1-CG 3.95Å; Y798-K802 HydrophobicContact CE2-CG 4.39Å; Y798-K802 PolarHBondContact O-N 2.86Å; Y798-K802 WeakPolarHBondContact OH-CE 3.33Å; L799-K802 PolarHBondContact O-N 2.88Å; K802-L804 VanDerWaalsContact C-N 3.35Å; K802-C805 PolarHBondContact O-N 3.08Å; K802-E806 PolarHBondContact O-N 3.35Å; K802-E806 VanDerWaalsContact O-N 3.1Å
803I71.8Confident62Low0 Ų078.4 Ų78.40%039%0.392CS..Hα-helixtrans-63-42.8175.7-65.9165.6000110.5C775 V778 V779 L799 C805 E806 L807 I840 L844C775-I803 HydrophobicContact CB-CD1 4.4Å; V778-I803 HydrophobicContact CB-CG1 3.8Å; V778-I803 HydrophobicContact CG1-CG1 3.61Å; V778-I803 HydrophobicContact CG2-CG1 4.33Å; V779-I803 HydrophobicContact CG2-CD1 4.47Å; L799-I803 WeakPolarHBondContact O-CB 3.33Å; L799-I803 WeakPolarHBondContact O-CD1 3.4Å; L799-I803 WeakPolarHBondContact O-CG1 3.24Å; L799-I803 PolarHBondContact O-N 3.14Å; I803-C805 VanDerWaalsContact C-N 3.33Å; I803-C805 PolarHBondContact O-N 3.25Å; I803-E806 PolarHBondContact O-N 3.41Å; I803-L807 HydrophobicContact CG2-CD1 3.55Å; I803-L807 HydrophobicContact CG2-CG 4.35Å; I803-L807 WeakPolarHBondContact O-CB 3.36Å; I803-L807 VanDerWaalsContact O-CG 3.3Å; I803-L807 WeakPolarHBondContact O-CG 3.35Å; I803-L807 PolarHBondContact O-N 2.96Å; I803-I840 HydrophobicContact CB-CD1 4.37Å; I803-I840 HydrophobicContact CD1-CG2 4Å; I803-I840 HydrophobicContact CG2-CD1 3.64Å; I803-I840 HydrophobicContact CG2-CG1 3.75Å; I803-I840 HydrophobicContact CG2-CG2 4.4Å; I803-L844 HydrophobicContact CD1-CD2 4.28Å
804L65.3Low62.2Low55 Ų5571.1 Ų71.129%0.28836%0.361SS..Hα-helixtrans-62-37.5175.3-74.5165.9000112.6Q800 Q801 K802 L807 S808 L836 I840Q800-L804 WeakPolarHBondContact O-CB 3.33Å; Q800-L804 WeakPolarHBondContact O-CD1 3.37Å; Q800-L804 WeakPolarHBondContact O-CG 3.31Å; Q800-L804 PolarHBondContact O-N 3.34Å; Q801-L804 PolarHBondContact O-N 2.94Å; K802-L804 VanDerWaalsContact C-N 3.35Å; L804-L807 PolarHBondContact O-N 3.26Å; L804-S808 PolarHBondContact O-N 2.93Å; L804-L836 HydrophobicContact CD2-CD2 3.39Å; L804-I840 HydrophobicContact CD2-CD1 3.97Å; L804-I840 HydrophobicContact CG-CD1 4.09Å
805C61.5Low61.9Low78 Ų7870.5 Ų70.553%0.52736%0.364SS..Hα-helixtrans-67.3-38.8175.2-69.30000113.5Q801 K802 I803 S808Q801-C805 PolarHBondContact O-N 3.06Å; Q801-C805 PolarHBondContact O-SG 3.34Å; K802-C805 PolarHBondContact O-N 3.08Å; I803-C805 VanDerWaalsContact C-N 3.33Å; I803-C805 PolarHBondContact O-N 3.25Å; C805-S808 PolarHBondContact O-OG 2.89Å
806E65.3Low61.5Low72 Ų7272 Ų7234%0.33638%0.379SS..Hα-helixtrans-70.2-38.3173.9-73.4-156.7173.900111.7I774 R777 V778 K802 I803 S808 G809I774-E806 HydrophobicContact CG2-CB 3.91Å; R777-E806 IonicContact CZ-OE2 3.37Å; R777-E806 IonicContact NE-OE2 3.14Å; R777-E806 PolarHBondContact NE-OE2 3.27Å; R777-E806 IonicContact NH2-OE2 2.73Å; R777-E806 PolarHBondContact NH2-OE2 2.82Å; V778-E806 HydrophobicContact CG2-CB 4.38Å; V778-E806 HydrophobicContact CG2-CG 3.98Å; V778-E806 WeakPolarHBondContact CG2-OE2 3.31Å; K802-E806 PolarHBondContact O-N 3.35Å; K802-E806 VanDerWaalsContact O-N 3.1Å; I803-E806 PolarHBondContact O-N 3.41Å; E806-S808 VanDerWaalsContact C-N 3.28Å; E806-S808 PolarHBondContact O-N 3.03Å; E806-G809 PolarHBondContact O-N 3.47Å
807L63.8Low61Low8 Ų869 Ų694%0.04237%0.365CS..Hα-helixtrans-69.1-23.2179.3-70.6166.1000113.3V771 I774 I803 L804 G809 H810 L813 L836 I840V771-L807 HydrophobicContact CG1-CD1 4.14Å; V771-L807 HydrophobicContact CG1-CD2 4.38Å; V771-L807 HydrophobicContact CG2-CD2 4.18Å; I774-L807 HydrophobicContact CB-CD2 4.12Å; I774-L807 HydrophobicContact CD1-CD2 3.56Å; I774-L807 HydrophobicContact CG1-CD2 4.44Å; I774-L807 HydrophobicContact CG2-CD2 4.01Å; I774-L807 HydrophobicContact CG2-CG 4.03Å; I803-L807 HydrophobicContact CG2-CD1 3.55Å; I803-L807 HydrophobicContact CG2-CG 4.35Å; I803-L807 WeakPolarHBondContact O-CB 3.36Å; I803-L807 VanDerWaalsContact O-CG 3.3Å; I803-L807 WeakPolarHBondContact O-CG 3.35Å; I803-L807 PolarHBondContact O-N 2.96Å; L804-L807 PolarHBondContact O-N 3.26Å; L807-G809 PolarHBondContact O-N 3.16Å; L807-H810 PolarHBondContact O-N 2.91Å; L807-L813 HydrophobicContact CD2-CD1 3.9Å; L807-L836 HydrophobicContact CB-CD1 4.35Å; L807-L836 HydrophobicContact CD1-CD1 4.03Å; L807-L836 HydrophobicContact CD1-CD2 3.78Å; L807-L836 HydrophobicContact CD1-CG 3.99Å; L807-I840 HydrophobicContact CD1-CD1 3.95Å; L807-I840 HydrophobicContact CD1-CG1 4.44Å
808S53.6Low60.6Low95 Ų9566.7 Ų66.766%0.66435%0.354SS*.THydrogen-bonded Turntrans-65.4-17.9177.564.30000114.2L804 C805 E806 H810L804-S808 PolarHBondContact O-N 2.93Å; C805-S808 PolarHBondContact O-OG 2.89Å; E806-S808 VanDerWaalsContact C-N 3.28Å; E806-S808 PolarHBondContact O-N 3.03Å; S808-H810 VanDerWaalsContact C-N 3.32Å
809G48Very low59.7Low61 Ų6172.2 Ų72.263%0.62938%0.379SS*.THydrogen-bonded Turntrans-78.7-9.9172.200000114.7E806 L807E806-G809 PolarHBondContact O-N 3.47Å; L807-G809 PolarHBondContact O-N 3.16Å
810H57.6Low59Low88 Ų8872.2 Ų72.241%0.40738%0.378SS..  trans-111.983-172.5-67.3-65.9000111.9L807 S808 Y812 L813L807-H810 PolarHBondContact O-N 2.91Å; S808-H810 VanDerWaalsContact C-N 3.32Å; H810-Y812 VanDerWaalsContact C-N 3.29Å; H810-Y812 PolarHBondContact O-N 2.79Å; H810-L813 HydrophobicContact CB-CD1 4.05Å; H810-L813 HydrophobicContact CB-CD2 4.22Å; H810-L813 HydrophobicContact CB-CG 3.98Å
811I48.2Very low58Low126 Ų12671.6 Ų71.665%0.64638%0.376SS*.THydrogen-bonded Turntrans-68-23.4-172.4-59.2173.7000113.3
812Y55Low57.2Low173 Ų17368.5 Ų68.568%0.67836%0.361SS*.THydrogen-bonded Turntrans-114.651-171.7-55.6-75.1000113.8H810H810-Y812 VanDerWaalsContact C-N 3.29Å; H810-Y812 PolarHBondContact O-N 2.79Å
813L58.7Low56.2Low11 Ų1167.3 Ų67.36%0.05836%0.358CS..SBendtrans-80-34.5179.8-73.5166.3000114G767 R770 V771 L807 H810 F832 L836G767-L813 WeakPolarHBondContact CA-O 3.36Å; R770-L813 HydrophobicContact CB-CD2 4Å; V771-L813 HydrophobicContact CG2-CD1 3.96Å; V771-L813 HydrophobicContact CG2-CD2 4.14Å; V771-L813 HydrophobicContact CG2-CG 4.5Å; L807-L813 HydrophobicContact CD2-CD1 3.9Å; H810-L813 HydrophobicContact CB-CD1 4.05Å; H810-L813 HydrophobicContact CB-CD2 4.22Å; H810-L813 HydrophobicContact CB-CG 3.98Å; L813-F832 HydrophobicContact CB-CE2 4.04Å; L813-F832 HydrophobicContact CB-CZ 4.24Å; L813-F832 HydrophobicContact CD1-CZ 4.21Å; L813-L836 HydrophobicContact CD1-CD1 4.09Å
814F62.1Low55Low13 Ų1367.5 Ų67.56%0.05736%0.36CS..  trans-138.292.7178-60.9-76.9000109.3A738 V771 D816 L817 F832 L835 I839A738-F814 HydrophobicContact CB-CD1 4.11Å; A738-F814 WeakPolarHBondContact O-CD1 3.49Å; A738-F814 VanDerWaalsContact O-CE1 3.24Å; A738-F814 WeakPolarHBondContact O-CE1 3.45Å; V771-F814 HydrophobicContact CG2-CE2 4.45Å; F814-D816 VanDerWaalsContact C-N 3.33Å; F814-D816 PolarHBondContact O-N 3.18Å; F814-L817 HydrophobicContact CB-CB 4.17Å; F814-L817 HydrophobicContact CB-CD1 3.74Å; F814-L817 HydrophobicContact CB-CG 4.09Å; F814-L817 HydrophobicContact CD2-CD1 4.32Å; F814-L817 HydrophobicContact CG-CD1 4.05Å; F814-L817 PolarHBondContact O-N 3.44Å; F814-F832 AromaticContact CD2-CD2 3.89Å; F814-F832 HydrophobicContact CD2-CD2 3.89Å; F814-F832 AromaticContact CD2-CE2 3.78Å; F814-F832 HydrophobicContact CD2-CE2 3.78Å; F814-L835 HydrophobicContact CE2-CD2 4.41Å; F814-I839 HydrophobicContact CE2-CD1 4.45Å; F814-I839 HydrophobicContact CZ-CD1 4.08Å
815V55.2Low53.6Low89 Ų8967.9 Ų67.954%0.53936%0.361SS..SBendtrans-65.7-36.6-171-1780000112L817 N818V815-L817 VanDerWaalsContact C-N 3.31Å; V815-L817 PolarHBondContact O-N 2.97Å; V815-N818 WeakPolarHBondContact O-CB 3.47Å; V815-N818 VanDerWaalsContact O-CG 3.31Å; V815-N818 PolarHBondContact O-N 2.82Å; V815-N818 PolarHBondContact O-ND2 3.21Å
816D55.4Low52.6Low131 Ų13164.6 Ų64.670%0.70134%0.338SS*.G310 helixtrans-70.9-25-177.4-53-57.9000113.2F814 N818F814-D816 VanDerWaalsContact C-N 3.33Å; F814-D816 PolarHBondContact O-N 3.18Å; D816-N818 PolarHBondContact O-N 3.41Å
817L56.3Low51.3Low4 Ų466.6 Ų66.62%0.02136%0.359CS..G310 helixtrans-72.5-10.5177.6-74.8178.5000113.6D734 A738 F814 V815 K819 H820 L821 L835D734-L817 HydrophobicContact CB-CD2 4.24Å; D734-L817 WeakPolarHBondContact O-CD2 3.4Å; A738-L817 HydrophobicContact CB-CD1 3.67Å; A738-L817 HydrophobicContact CB-CD2 4.08Å; A738-L817 HydrophobicContact CB-CG 3.73Å; F814-L817 HydrophobicContact CB-CB 4.17Å; F814-L817 HydrophobicContact CB-CD1 3.74Å; F814-L817 HydrophobicContact CB-CG 4.09Å; F814-L817 HydrophobicContact CD2-CD1 4.32Å; F814-L817 HydrophobicContact CG-CD1 4.05Å; F814-L817 PolarHBondContact O-N 3.44Å; V815-L817 VanDerWaalsContact C-N 3.31Å; V815-L817 PolarHBondContact O-N 2.97Å; L817-K819 PolarHBondContact O-N 3Å; L817-H820 HydrophobicContact CD2-CB 4.16Å; L817-H820 CarbonylContact O-C 3.44Å; L817-H820 WeakPolarHBondContact O-CA 3.35Å; L817-H820 WeakPolarHBondContact O-CB 3.2Å; L817-H820 PolarHBondContact O-N 3.38Å; L817-L821 HydrophobicContact CB-CD2 4.37Å; L817-L821 WeakPolarHBondContact O-CG 3.31Å; L817-L821 PolarHBondContact O-N 2.67Å; L817-L835 HydrophobicContact CD1-CD2 3.74Å
818N52.3Low50.1Low62 Ų6269.6 Ų69.633%0.33239%0.385SS..G310 helixtrans-58.4-20.8-171.2-81.2-39.8000116.2V815 D816V815-N818 WeakPolarHBondContact O-CB 3.47Å; V815-N818 VanDerWaalsContact O-CG 3.31Å; V815-N818 PolarHBondContact O-N 2.82Å; V815-N818 PolarHBondContact O-ND2 3.21Å; D816-N818 PolarHBondContact O-N 3.41Å
819K49.6Very low49.9Very low181 Ų18168.8 Ų68.879%0.78737%0.372SS*.THydrogen-bonded Turntrans-84.7-43.3170.4-67.1179.3-178.9175.30111.3L817L817-K819 PolarHBondContact O-N 3Å
820H56.1Low50.1Low22 Ų2268.3 Ų68.310%0.10236%0.355CS..G310 helixtrans-72.1-20.8-177.6-170.374.5000115.6F659 C732 D734 C735 L817 F822 D823 H831F659-H820 AromaticContact CZ-CE1 3.86Å; C732-H820 PolarHBondContact SG-CE1 3.05Å; C732-H820 PolarHBondContact SG-NE2 3.11Å; D734-H820 IonicContact OD2-CE1 3.35Å; D734-H820 PolarHBondContact OD2-CE1 3.3Å; D734-H820 IonicContact OD2-ND1 2.67Å; D734-H820 PolarHBondContact OD2-ND1 3.28Å; C735-H820 PolarHBondContact SG-NE2 3.41Å; L817-H820 HydrophobicContact CD2-CB 4.16Å; L817-H820 CarbonylContact O-C 3.44Å; L817-H820 WeakPolarHBondContact O-CA 3.35Å; L817-H820 WeakPolarHBondContact O-CB 3.2Å; L817-H820 PolarHBondContact O-N 3.38Å; H820-F822 PolarHBondContact O-N 3.48Å; H820-D823 PolarHBondContact O-N 3.28Å; H820-D823 VanDerWaalsContact O-N 3.16Å; H820-H831 AromaticContact CD2-ND1 3.84Å; H820-H831 AromaticContact NE2-CE1 3.58Å; H820-H831 AromaticContact NE2-CG 3.76Å; H820-H831 AromaticContact NE2-ND1 2.77Å; H820-H831 PolarHBondContact NE2-ND1 2.71Å
821L49.5Very low50.2Low24 Ų2464.7 Ų64.713%0.12634%0.338CS..G310 helixtrans-44.9-32.3179.2-67.2-179.6000114.1L817 N830 F832L817-L821 HydrophobicContact CB-CD2 4.37Å; L817-L821 WeakPolarHBondContact O-CG 3.31Å; L817-L821 PolarHBondContact O-N 2.67Å; L821-N830 PolarHBondContact O-OD1 3.46Å; L821-F832 HydrophobicContact CD2-CB 3.31Å; L821-F832 HydrophobicContact CD2-CD2 4.17Å; L821-F832 HydrophobicContact CD2-CG 3.95Å
822F48.4Very low50.7Low59 Ų5960.5 Ų60.526%0.25932%0.316SS..G310 helixtrans-107.9-0.6-168.5-57.4-75.8000114.5N525 Y527 H820 G824N525-F822 WeakPolarHBondContact CB-O 3.13Å; N525-F822 WeakPolarHBondContact ND2-CA 3.35Å; N525-F822 PolarHBondContact ND2-O 3.31Å; Y527-F822 HydrophobicContact CG-CE1 4.44Å; H820-F822 PolarHBondContact O-N 3.48Å; F822-G824 VanDerWaalsContact C-N 3.26Å; F822-G824 PolarHBondContact O-N 3.15Å
823D47Very low50.9Low61 Ų6154.5 Ų54.533%0.32630%0.297SS..SBendtrans-78.1-7.3178.8-75.1-54.9000113.8K532 F659 H820K532-D823 IonicContact NZ-OD1 3.23Å; F659-D823 HydrophobicContact CZ-CB 4.46Å; H820-D823 PolarHBondContact O-N 3.28Å; H820-D823 VanDerWaalsContact O-N 3.16Å
824G45.6Very low51.2Low4 Ų457 Ų574%0.04131%0.307CS..SBendtrans-79.3169171.400000114.6F822F822-G824 VanDerWaalsContact C-N 3.26Å; F822-G824 PolarHBondContact O-N 3.15Å
825E36.3Very low51.5Low63 Ų6356.4 Ų56.429%0.29431%0.305SS..PPolyproline II helixtrans-72.2154.6175.7-147.4177.9-165.100112.3H611 I658H611-E825 IonicContact NE2-OE1 2.99Å; H611-E825 PolarHBondContact NE2-OE1 3.12Å; H611-E825 VanDerWaalsContact NE2-OE1 3.16Å; I658-E825 HydrophobicContact CD1-CB 4Å; I658-E825 HydrophobicContact CD1-CG 3.7Å; I658-E825 WeakPolarHBondContact CD1-OE1 3.38Å; I658-E825 VanDerWaalsContact CD1-OE2 3.28Å; I658-E825 WeakPolarHBondContact CD1-OE2 3.46Å
826V40.3Very low52.1Low10 Ų1052.4 Ų52.46%0.06128%0.281CS..THydrogen-bonded Turntrans-71148.8-165.9165.80000115.3H332 R524 N525 L603 A828H332-V826 VanDerWaalsContact CE1-CG1 3.41Å; H332-V826 WeakPolarHBondContact CE1-CG1 3.4Å; H332-V826 WeakPolarHBondContact NE2-CG1 3.5Å; R524-V826 WeakPolarHBondContact O-CG2 3.47Å; N525-V826 VanDerWaalsContact CA-CG2 3.44Å; N525-V826 HydrophobicContact CB-CG2 4.07Å; L603-V826 HydrophobicContact CD1-CG2 4.36Å; V826-A828 VanDerWaalsContact C-N 3.27Å; V826-A828 PolarHBondContact O-N 2.95Å
827C38.6Very low52.8Low114 Ų11450 Ų5077%0.7726%0.264SS*.THydrogen-bonded Turntrans59.3-0.7162.9-75.30000120.4
828A39Very low53.4Low71 Ų7152 Ų5259%0.58727%0.274SS*.THydrogen-bonded Turntrans-117.3-40.917100000114.1V826V826-A828 VanDerWaalsContact C-N 3.27Å; V826-A828 PolarHBondContact O-N 2.95Å
829I47.9Very low54.6Low77 Ų7749 Ų4940%0.39526%0.258SS..  trans-14888-169.3-52.2178.9000111.5K834I829-K834 HydrophobicContact CG2-CB 3.33Å; I829-K834 HydrophobicContact CG2-CD 4.14Å; I829-K834 HydrophobicContact CG2-CG 3.62Å
830N54.2Low55.9Low52 Ų5240.5 Ų40.528%0.27822%0.221SC..  trans-54.9139.2156.3166.3-11.4000108.5L821 F832 V833 K834L821-N830 PolarHBondContact O-OD1 3.46Å; N830-F832 PolarHBondContact O-N 2.82Å; N830-F832 WeakPolarHBondContact OD1-CB 3.28Å; N830-F832 PolarHBondContact OD1-N 3.07Å; N830-V833 HydrophobicContact CB-CB 4.13Å; N830-V833 HydrophobicContact CB-CG2 3.92Å; N830-V833 CarbonylContact O-C 3.08Å; N830-V833 WeakPolarHBondContact O-CA 3.27Å; N830-V833 WeakPolarHBondContact O-CB 3.17Å; N830-V833 PolarHBondContact O-N 2.98Å; N830-K834 PolarHBondContact O-N 2.91Å
831H58.1Low56.8Low11 Ų1142.3 Ų42.35%0.05123%0.231CC..Hα-helixtrans-55.6-34.4-179.7-95.6-132.7000113.4F659 H820 K834 L835F659-H831 AromaticContact CD2-CE1 3.56Å; F659-H831 AromaticContact CD2-NE2 3.5Å; F659-H831 WeakPolarHBondContact CD2-NE2 3.37Å; F659-H831 AromaticContact CE2-CE1 3.31Å; F659-H831 WeakPolarHBondContact CE2-CE1 3.25Å; F659-H831 AromaticContact CE2-NE2 3.3Å; F659-H831 VanDerWaalsContact CE2-NE2 3.3Å; F659-H831 WeakPolarHBondContact CE2-NE2 3.1Å; F659-H831 AromaticContact CZ-CE1 3.97Å; H820-H831 AromaticContact CD2-ND1 3.84Å; H820-H831 AromaticContact NE2-CE1 3.58Å; H820-H831 AromaticContact NE2-CG 3.76Å; H820-H831 AromaticContact NE2-ND1 2.77Å; H820-H831 PolarHBondContact NE2-ND1 2.71Å; H831-K834 WeakPolarHBondContact O-CB 3.18Å; H831-K834 PolarHBondContact O-N 3.34Å; H831-L835 VanDerWaalsContact O-CB 3.26Å; H831-L835 WeakPolarHBondContact O-CB 3.4Å; H831-L835 PolarHBondContact O-N 3.39Å
832F59.6Low58.2Low38 Ų3841.5 Ų41.517%0.16723%0.228CC..Hα-helixtrans-65.6-43.1170.5171.6-86.3000112.4L813 F814 L821 N830 K834 L835 L836L813-F832 HydrophobicContact CB-CE2 4.04Å; L813-F832 HydrophobicContact CB-CZ 4.24Å; L813-F832 HydrophobicContact CD1-CZ 4.21Å; F814-F832 AromaticContact CD2-CD2 3.89Å; F814-F832 HydrophobicContact CD2-CD2 3.89Å; F814-F832 AromaticContact CD2-CE2 3.78Å; F814-F832 HydrophobicContact CD2-CE2 3.78Å; L821-F832 HydrophobicContact CD2-CB 3.31Å; L821-F832 HydrophobicContact CD2-CD2 4.17Å; L821-F832 HydrophobicContact CD2-CG 3.95Å; N830-F832 PolarHBondContact O-N 2.82Å; N830-F832 WeakPolarHBondContact OD1-CB 3.28Å; N830-F832 PolarHBondContact OD1-N 3.07Å; F832-K834 VanDerWaalsContact C-N 3.29Å; F832-K834 PolarHBondContact O-N 2.86Å; F832-L835 PolarHBondContact O-N 2.99Å; F832-L836 HydrophobicContact CE1-CD1 4.06Å; F832-L836 HydrophobicContact CZ-CD1 4.12Å; F832-L836 WeakPolarHBondContact O-CB 3.46Å; F832-L836 PolarHBondContact O-N 3.44Å
833V59.2Low59.8Low47 Ų4738.7 Ų38.729%0.28522%0.215SC..Hα-helixtrans-67.3-31.9175.3176.40000111N830 K837N830-V833 HydrophobicContact CB-CB 4.13Å; N830-V833 HydrophobicContact CB-CG2 3.92Å; N830-V833 CarbonylContact O-C 3.08Å; N830-V833 WeakPolarHBondContact O-CA 3.27Å; N830-V833 WeakPolarHBondContact O-CB 3.17Å; N830-V833 PolarHBondContact O-N 2.98Å; V833-K837 HydrophobicContact CG1-CD 4.17Å; V833-K837 VanDerWaalsContact O-CB 3.31Å; V833-K837 WeakPolarHBondContact O-CB 3.1Å; V833-K837 VanDerWaalsContact O-CG 3.24Å; V833-K837 WeakPolarHBondContact O-CG 3.36Å; V833-K837 PolarHBondContact O-N 3.47Å
834K64.4Low61.3Low63 Ų6336.5 Ų36.527%0.27420%0.204SC..Hα-helixtrans-63.2-59.1170.7-156.1-178.6171.7-175.70110.6I829 N830 H831 F832 L836 K837 D838I829-K834 HydrophobicContact CG2-CB 3.33Å; I829-K834 HydrophobicContact CG2-CD 4.14Å; I829-K834 HydrophobicContact CG2-CG 3.62Å; N830-K834 PolarHBondContact O-N 2.91Å; H831-K834 WeakPolarHBondContact O-CB 3.18Å; H831-K834 PolarHBondContact O-N 3.34Å; F832-K834 VanDerWaalsContact C-N 3.29Å; F832-K834 PolarHBondContact O-N 2.86Å; K834-L836 PolarHBondContact O-N 2.98Å; K834-K837 CarbonylContact O-C 3.6Å; K834-K837 PolarHBondContact O-N 3.43Å; K834-K837 VanDerWaalsContact O-N 3.09Å; K834-D838 WeakPolarHBondContact O-CB 3.39Å; K834-D838 VanDerWaalsContact O-CG 3.26Å; K834-D838 PolarHBondContact O-N 3Å
835L68.3Low62.8Low1 Ų139.7 Ų39.71%0.00522%0.22CC..Hα-helixtrans-55.4-43.7-177.6-177.159.9000110.7L730 C735 A738 L739 F814 L817 H831 F832 D838 I839L730-L835 HydrophobicContact CD1-CD1 3.56Å; C735-L835 HydrophobicContact CB-CD1 4.32Å; C735-L835 HydrophobicContact CB-CD2 4.28Å; A738-L835 HydrophobicContact CB-CD2 4.49Å; L739-L835 HydrophobicContact CD1-CD1 4.35Å; L739-L835 HydrophobicContact CD2-CD1 4.03Å; L739-L835 HydrophobicContact CG-CD1 4.24Å; F814-L835 HydrophobicContact CE2-CD2 4.41Å; L817-L835 HydrophobicContact CD1-CD2 3.74Å; H831-L835 VanDerWaalsContact O-CB 3.26Å; H831-L835 WeakPolarHBondContact O-CB 3.4Å; H831-L835 PolarHBondContact O-N 3.39Å; F832-L835 PolarHBondContact O-N 2.99Å; L835-D838 PolarHBondContact O-N 2.85Å; L835-I839 HydrophobicContact CD1-CD1 4.28Å; L835-I839 HydrophobicContact CG-CD1 3.95Å; L835-I839 WeakPolarHBondContact O-CB 3.42Å; L835-I839 WeakPolarHBondContact O-CD1 3.22Å; L835-I839 WeakPolarHBondContact O-CG1 3.36Å; L835-I839 PolarHBondContact O-N 2.92Å
836L69.1Low64.9Low6 Ų637.3 Ų37.33%0.03121%0.209CC..Hα-helixtrans-68.6-41.6178.4-170.1139.5000112.2V771 L804 L807 L813 F832 K834 I839 I840V771-L836 HydrophobicContact CG2-CD1 4.46Å; L804-L836 HydrophobicContact CD2-CD2 3.39Å; L807-L836 HydrophobicContact CB-CD1 4.35Å; L807-L836 HydrophobicContact CD1-CD1 4.03Å; L807-L836 HydrophobicContact CD1-CD2 3.78Å; L807-L836 HydrophobicContact CD1-CG 3.99Å; L813-L836 HydrophobicContact CD1-CD1 4.09Å; F832-L836 HydrophobicContact CE1-CD1 4.06Å; F832-L836 HydrophobicContact CZ-CD1 4.12Å; F832-L836 WeakPolarHBondContact O-CB 3.46Å; F832-L836 PolarHBondContact O-N 3.44Å; K834-L836 PolarHBondContact O-N 2.98Å; L836-I839 PolarHBondContact O-N 3.15Å; L836-I840 HydrophobicContact CD2-CD1 3.66Å; L836-I840 HydrophobicContact CG-CD1 4.36Å; L836-I840 WeakPolarHBondContact O-CD1 3.37Å; L836-I840 WeakPolarHBondContact O-CG1 3.34Å; L836-I840 PolarHBondContact O-N 3.02Å
837K69.5Low66.5Low80 Ų8039.5 Ų39.535%0.34822%0.216SC..Hα-helixtrans-62-44.2170.2-78174.8178.71790112V833 K834 I840 I841V833-K837 HydrophobicContact CG1-CD 4.17Å; V833-K837 VanDerWaalsContact O-CB 3.31Å; V833-K837 WeakPolarHBondContact O-CB 3.1Å; V833-K837 VanDerWaalsContact O-CG 3.24Å; V833-K837 WeakPolarHBondContact O-CG 3.36Å; V833-K837 PolarHBondContact O-N 3.47Å; K834-K837 CarbonylContact O-C 3.6Å; K834-K837 PolarHBondContact O-N 3.43Å; K834-K837 VanDerWaalsContact O-N 3.09Å; K837-I840 PolarHBondContact O-N 3.35Å; K837-I841 WeakPolarHBondContact O-CB 3.43Å; K837-I841 WeakPolarHBondContact O-CD1 3.26Å; K837-I841 VanDerWaalsContact O-CG1 3.24Å; K837-I841 WeakPolarHBondContact O-CG1 3.4Å; K837-I841 PolarHBondContact O-N 3.04Å
838D69.4Low68Low45 Ų4537 Ų3724%0.24120%0.203CC..Hα-helixtrans-66-39.2-179.7-67.7-18.5000110.9L726 K834 L835 C842L726-D838 HydrophobicContact CD2-CB 3.91Å; K834-D838 WeakPolarHBondContact O-CB 3.39Å; K834-D838 VanDerWaalsContact O-CG 3.26Å; K834-D838 PolarHBondContact O-N 3Å; L835-D838 PolarHBondContact O-N 2.85Å; D838-C842 WeakPolarHBondContact O-CB 3.3Å; D838-C842 PolarHBondContact O-N 2.88Å
839I77Confident69.4Low0 Ų039.8 Ų39.80%020%0.202CC..Hα-helixtrans-59.4-49.8169.8-71.5161.5000110.9V722 L726 L739 L768 V771 I772 F814 L835 L836 C842 F843V722-I839 HydrophobicContact CG1-CG1 4.29Å; V722-I839 HydrophobicContact CG1-CG2 4.28Å; L726-I839 HydrophobicContact CD1-CB 4.26Å; L726-I839 HydrophobicContact CD1-CG1 3.42Å; L726-I839 VanDerWaalsContact CD1-CG1 3.42Å; L739-I839 HydrophobicContact CD2-CD1 3.96Å; L739-I839 HydrophobicContact CD2-CG1 4.22Å; L768-I839 HydrophobicContact CD1-CD1 3.7Å; L768-I839 HydrophobicContact CD1-CG1 3.85Å; L768-I839 HydrophobicContact CD1-CG2 3.96Å; V771-I839 HydrophobicContact CB-CG2 4.46Å; V771-I839 HydrophobicContact CG1-CG2 3.62Å; I772-I839 HydrophobicContact CG1-CG2 4.27Å; F814-I839 HydrophobicContact CE2-CD1 4.45Å; F814-I839 HydrophobicContact CZ-CD1 4.08Å; L835-I839 HydrophobicContact CD1-CD1 4.28Å; L835-I839 HydrophobicContact CG-CD1 3.95Å; L835-I839 WeakPolarHBondContact O-CB 3.42Å; L835-I839 WeakPolarHBondContact O-CD1 3.22Å; L835-I839 WeakPolarHBondContact O-CG1 3.36Å; L835-I839 PolarHBondContact O-N 2.92Å; L836-I839 PolarHBondContact O-N 3.15Å; I839-C842 PolarHBondContact O-N 3.47Å; I839-F843 VanDerWaalsContact O-CB 3.28Å; I839-F843 WeakPolarHBondContact O-CB 3.33Å; I839-F843 PolarHBondContact O-N 3.03Å
840I76.3Confident70Confident2 Ų238.8 Ų38.81%0.0120%0.198CC..Hα-helixtrans-61.8-49.3-179.5-66.7162.9000110.7Q800 I803 L804 L807 L836 K837 C842 F843 L844Q800-I840 HydrophobicContact CG-CG2 3.98Å; I803-I840 HydrophobicContact CB-CD1 4.37Å; I803-I840 HydrophobicContact CD1-CG2 4Å; I803-I840 HydrophobicContact CG2-CD1 3.64Å; I803-I840 HydrophobicContact CG2-CG1 3.75Å; I803-I840 HydrophobicContact CG2-CG2 4.4Å; L804-I840 HydrophobicContact CD2-CD1 3.97Å; L804-I840 HydrophobicContact CG-CD1 4.09Å; L807-I840 HydrophobicContact CD1-CD1 3.95Å; L807-I840 HydrophobicContact CD1-CG1 4.44Å; L836-I840 HydrophobicContact CD2-CD1 3.66Å; L836-I840 HydrophobicContact CG-CD1 4.36Å; L836-I840 WeakPolarHBondContact O-CD1 3.37Å; L836-I840 WeakPolarHBondContact O-CG1 3.34Å; L836-I840 PolarHBondContact O-N 3.02Å; K837-I840 PolarHBondContact O-N 3.35Å; I840-C842 VanDerWaalsContact C-N 3.34Å; I840-C842 PolarHBondContact O-N 3.14Å; I840-F843 PolarHBondContact O-N 3.17Å; I840-L844 HydrophobicContact CG2-CD1 3.81Å; I840-L844 HydrophobicContact CG2-CG 4.29Å; I840-L844 WeakPolarHBondContact O-CB 3.29Å; I840-L844 VanDerWaalsContact O-CG 3.32Å; I840-L844 WeakPolarHBondContact O-CG 3.35Å; I840-L844 PolarHBondContact O-N 3.43Å
841I75.3Confident70.2Confident60 Ų6040.5 Ų40.531%0.30821%0.21SC..Hα-helixtrans-61.9-44179-68.3164.3000110.1K837 N845K837-I841 WeakPolarHBondContact O-CB 3.43Å; K837-I841 WeakPolarHBondContact O-CD1 3.26Å; K837-I841 VanDerWaalsContact O-CG1 3.24Å; K837-I841 WeakPolarHBondContact O-CG1 3.4Å; K837-I841 PolarHBondContact O-N 3.04Å; I841-N845 WeakPolarHBondContact O-CB 3.35Å; I841-N845 PolarHBondContact O-N 2.98Å; I841-N845 VanDerWaalsContact O-N 3.08Å; I841-N845 PolarHBondContact O-ND2 2.77Å
842C79.3Confident69.7Low7 Ų743.8 Ų43.85%0.04724%0.239CC..Hα-helixtrans-60.9-48.7177.6-1640000111.2V722 L726 D838 I839 I840 N845 I846V722-C842 HydrophobicContact CG1-CB 4.26Å; V722-C842 HydrophobicContact CG2-CB 4.43Å; L726-C842 HydrophobicContact CD2-CB 4.18Å; L726-C842 HydrophobicContact CG-CB 4.42Å; D838-C842 WeakPolarHBondContact O-CB 3.3Å; D838-C842 PolarHBondContact O-N 2.88Å; I839-C842 PolarHBondContact O-N 3.47Å; I840-C842 VanDerWaalsContact C-N 3.34Å; I840-C842 PolarHBondContact O-N 3.14Å; C842-N845 PolarHBondContact O-N 3.43Å; C842-I846 VanDerWaalsContact O-CD1 3.25Å; C842-I846 WeakPolarHBondContact O-CD1 3.44Å; C842-I846 WeakPolarHBondContact O-CG1 3.47Å; C842-I846 PolarHBondContact O-N 3.34Å; C842-I846 VanDerWaalsContact O-N 3.09Å
843F81.6Confident69Low0 Ų048.9 Ų48.90%026%0.263CS..Hα-helixtrans-59.9-50178178.1-97.3000112.7Y718 V722 I772 C775 E776 V779 I839 I840 N845 I846 R847Y718-F843 HydrophobicContact CD1-CE2 4.25Å; Y718-F843 HydrophobicContact CD2-CE2 4.09Å; Y718-F843 HydrophobicContact CG-CD2 4.39Å; Y718-F843 AromaticContact CG-CE2 3.89Å; Y718-F843 HydrophobicContact CG-CE2 3.89Å; V722-F843 HydrophobicContact CG2-CB 4.41Å; I772-F843 HydrophobicContact CG1-CD2 4.43Å; I772-F843 HydrophobicContact CG2-CD2 3.99Å; I772-F843 HydrophobicContact CG2-CE2 3.87Å; C775-F843 HydrophobicContact CB-CD1 3.47Å; C775-F843 VanDerWaalsContact CB-CD1 3.47Å; C775-F843 HydrophobicContact CB-CE1 3.57Å; C775-F843 HydrophobicContact CB-CG 4.09Å; C775-F843 HydrophobicContact CB-CZ 4.26Å; E776-F843 HydrophobicContact CB-CZ 3.87Å; V779-F843 HydrophobicContact CG2-CE1 4.36Å; I839-F843 VanDerWaalsContact O-CB 3.28Å; I839-F843 WeakPolarHBondContact O-CB 3.33Å; I839-F843 PolarHBondContact O-N 3.03Å; I840-F843 PolarHBondContact O-N 3.17Å; F843-N845 VanDerWaalsContact C-N 3.3Å; F843-N845 PolarHBondContact O-N 3.37Å; F843-I846 PolarHBondContact O-N 3.45Å; F843-I846 VanDerWaalsContact O-N 3.16Å; F843-R847 WeakPolarHBondContact O-CB 3.3Å; F843-R847 PolarHBondContact O-N 2.92Å
844L77.9Confident68.2Low16 Ų1652 Ų528%0.08428%0.278CS..Hα-helixtrans-60-40.4179.3-70.9174.7000111.8V779 E796 L799 Q800 I803 I840 R847 A848V779-L844 HydrophobicContact CG2-CD2 3.72Å; E796-L844 HydrophobicContact CG-CD1 4.18Å; L799-L844 HydrophobicContact CB-CD1 4.44Å; L799-L844 HydrophobicContact CB-CD2 4.45Å; L799-L844 HydrophobicContact CD1-CD2 4.33Å; Q800-L844 HydrophobicContact CG-CD1 3.72Å; I803-L844 HydrophobicContact CD1-CD2 4.28Å; I840-L844 HydrophobicContact CG2-CD1 3.81Å; I840-L844 HydrophobicContact CG2-CG 4.29Å; I840-L844 WeakPolarHBondContact O-CB 3.29Å; I840-L844 VanDerWaalsContact O-CG 3.32Å; I840-L844 WeakPolarHBondContact O-CG 3.35Å; I840-L844 PolarHBondContact O-N 3.43Å; L844-R847 PolarHBondContact O-N 3.07Å; L844-A848 WeakPolarHBondContact O-CB 3.37Å; L844-A848 PolarHBondContact O-N 3.43Å
845N78.3Confident66.8Low70 Ų7053.7 Ų53.737%0.37430%0.296SS..Hα-helixtrans-63.9-39.5175.7-85.5-75.9000113I841 C842 F843 K849I841-N845 WeakPolarHBondContact O-CB 3.35Å; I841-N845 PolarHBondContact O-N 2.98Å; I841-N845 VanDerWaalsContact O-N 3.08Å; I841-N845 PolarHBondContact O-ND2 2.77Å; C842-N845 PolarHBondContact O-N 3.43Å; F843-N845 VanDerWaalsContact C-N 3.3Å; F843-N845 PolarHBondContact O-N 3.37Å; N845-K849 WeakPolarHBondContact O-CG 3.46Å; N845-K849 PolarHBondContact O-N 2.79Å
846I79.6Confident65.1Low13 Ų1360 Ų607%0.06733%0.329CS..Hα-helixtrans-67.5-45175.3-60.3152.8000109.7Y718 Y721 V722 C842 F843 A848 K849 N850Y718-I846 HydrophobicContact CD1-CG2 3.93Å; Y718-I846 HydrophobicContact CE1-CG2 3.79Å; Y721-I846 HydrophobicContact CD1-CD1 3.31Å; Y721-I846 HydrophobicContact CD1-CG1 3.75Å; Y721-I846 HydrophobicContact CE1-CD1 3.68Å; Y721-I846 HydrophobicContact CE1-CG1 3.6Å; Y721-I846 HydrophobicContact CG-CD1 4.36Å; V722-I846 HydrophobicContact CG2-CD1 3.5Å; V722-I846 VanDerWaalsContact CG2-CD1 3.5Å; C842-I846 VanDerWaalsContact O-CD1 3.25Å; C842-I846 WeakPolarHBondContact O-CD1 3.44Å; C842-I846 WeakPolarHBondContact O-CG1 3.47Å; C842-I846 PolarHBondContact O-N 3.34Å; C842-I846 VanDerWaalsContact O-N 3.09Å; F843-I846 PolarHBondContact O-N 3.45Å; F843-I846 VanDerWaalsContact O-N 3.16Å; I846-A848 VanDerWaalsContact C-N 3.33Å; I846-A848 PolarHBondContact O-N 3.35Å; I846-K849 PolarHBondContact O-N 2.58Å; I846-N850 PolarHBondContact O-N 3.49Å
847R74.8Confident63.4Low56 Ų5668.4 Ų68.421%0.21137%0.365CS..Hα-helixtrans-62.7-39.8-178.5-16467.8178.285.2-5112.1E776 V779 F843 L844 N850 V851E776-R847 IonicContact OE1-CZ 3.42Å; E776-R847 IonicContact OE1-NE 3.79Å; E776-R847 IonicContact OE1-NH2 3.61Å; E776-R847 PolarHBondContact OE1-NH2 3.25Å; E776-R847 IonicContact OE2-CZ 3.96Å; E776-R847 IonicContact OE2-NE 3.97Å; E776-R847 PolarHBondContact OE2-NE 2.91Å; E776-R847 IonicContact OE2-NH2 2.89Å; V779-R847 HydrophobicContact CG1-CG 4.41Å; F843-R847 WeakPolarHBondContact O-CB 3.3Å; F843-R847 PolarHBondContact O-N 2.92Å; L844-R847 PolarHBondContact O-N 3.07Å; R847-N850 PolarHBondContact O-N 3.26Å; R847-V851 WeakPolarHBondContact O-CG2 3.5Å; R847-V851 PolarHBondContact O-N 3.2Å; R847-V851 VanDerWaalsContact O-N 3.11Å
848A70Confident61.5Low61 Ų6173 Ų7350%0.50439%0.388SS..Hα-helixtrans-62.5-44.2174.800000112.3L844 I846 V851 A852L844-A848 WeakPolarHBondContact O-CB 3.37Å; L844-A848 PolarHBondContact O-N 3.43Å; I846-A848 VanDerWaalsContact C-N 3.33Å; I846-A848 PolarHBondContact O-N 3.35Å; A848-V851 PolarHBondContact O-N 2.93Å; A848-A852 PolarHBondContact O-N 3Å
849K67.1Low59.6Low130 Ų13074.1 Ų74.157%0.56540%0.399SS*.Hα-helixtrans-61.6-43.2175-72.2-174.8177.2-160.10112.3N845 I846 V851 A852 Q853N845-K849 WeakPolarHBondContact O-CG 3.46Å; N845-K849 PolarHBondContact O-N 2.79Å; I846-K849 PolarHBondContact O-N 2.58Å; K849-V851 VanDerWaalsContact C-N 3.3Å; K849-V851 PolarHBondContact O-N 2.74Å; K849-A852 PolarHBondContact O-N 3.46Å; K849-Q853 WeakPolarHBondContact O-CG 3.45Å; K849-Q853 PolarHBondContact O-N 3.03Å
850N60Low57.3Low56 Ų5681.8 Ų81.830%0.29944%0.435SS..Hα-helixtrans-66.5-28.8178.6-73.32.2000113.3Y718 I846 R847 N854Y718-N850 WeakPolarHBondContact CE1-ND2 3.11Å; Y718-N850 PolarHBondContact OH-ND2 3.45Å; I846-N850 PolarHBondContact O-N 3.49Å; R847-N850 PolarHBondContact O-N 3.26Å; N850-N854 PolarHBondContact O-N 2.76Å
851V58.5Low55.1Low88 Ų8893.3 Ų93.353%0.53348%0.479SS..Hα-helixtrans-72.7-43.2171.5172.60000110.9R847 A848 K849 Q853 N854R847-V851 WeakPolarHBondContact O-CG2 3.5Å; R847-V851 PolarHBondContact O-N 3.2Å; R847-V851 VanDerWaalsContact O-N 3.11Å; A848-V851 PolarHBondContact O-N 2.93Å; K849-V851 VanDerWaalsContact C-N 3.3Å; K849-V851 PolarHBondContact O-N 2.74Å; V851-Q853 VanDerWaalsContact C-N 3.27Å; V851-Q853 PolarHBondContact O-N 3.1Å; V851-N854 PolarHBondContact O-N 3.4Å
852A48.7Very low52.9Low80 Ų8095.6 Ų95.666%0.66150%0.495SS*.Hα-helixtrans-64.1-30.1178.100000113.4A848 K849A848-A852 PolarHBondContact O-N 3Å; K849-A852 PolarHBondContact O-N 3.46Å
853Q45Very low50.5Low145 Ų145100.8 Ų100.868%0.67852%0.523SS*.Hα-helixtrans-88-12.5-179.9-72180-26.400114.7K849 V851K849-Q853 WeakPolarHBondContact O-CG 3.45Å; K849-Q853 PolarHBondContact O-N 3.03Å; V851-Q853 VanDerWaalsContact C-N 3.27Å; V851-Q853 PolarHBondContact O-N 3.1Å
854N41.7Very low47.9Very low113 Ų113108.7 Ų108.760%0.60456%0.561SS**  trans-138.976178.4-87.9-58.8000112.7N850 V851 L856N850-N854 PolarHBondContact O-N 2.76Å; V851-N854 PolarHBondContact O-N 3.4Å; N854-L856 VanDerWaalsContact C-N 3.33Å
855P35.8Very low45.5Very low98 Ų98117.2 Ų117.264%0.63660%0.598SS**  trans-71.1-26.8173.6-16.331.5000113.4K857P855-K857 PolarHBondContact O-N 2.74Å
856L31.5Very low43.3Very low135 Ų135119.3 Ų119.371%0.70761%0.614SS**THydrogen-bonded Turntrans-86.5-1.2-158.1-83.8155.2000116.9N854N854-L856 VanDerWaalsContact C-N 3.33Å
857K33.5Very low40.8Very low181 Ų181126.2 Ų126.279%0.78765%0.65SS**THydrogen-bonded Turntrans-104.515.5-177.4-70.5-167.3175.2-174.80115.4P855P855-K857 PolarHBondContact O-N 2.74Å
858Q30.8Very low38.5Very low176 Ų176128.9 Ų128.982%0.82268%0.677SS**SBendtrans-115.6-9.7178.8-74.6-168.2-24.300115.9
859S28.2Very low36.7Very low69 Ų69136.9 Ų136.948%0.48369%0.694SS.*SBendtrans-89.8-30.317752.30000114.6R861 T862S859-R861 PolarHBondContact O-N 3.06Å; S859-T862 PolarHBondContact O-N 3.19Å; S859-T862 PolarHBondContact O-OG1 3.09Å; S859-T862 VanDerWaalsContact O-OG1 3.07Å
860E29.5Very low34.7Very low162 Ų162139.7 Ų139.776%0.75771%0.706SS**THydrogen-bonded Turntrans-74.49.3-170.5-64.2-173.8147.300115.9
861R30.3Very low33.1Very low244 Ų244144.8 Ų144.892%0.92173%0.728SS**THydrogen-bonded Turntrans-105.83.3175.5-100.4-176.2177.3-179.10.2115.2S859S859-R861 PolarHBondContact O-N 3.06Å
862T28.9Very low31.4Very low108 Ų108152.9 Ų152.966%0.66375%0.749SS**SBendtrans-105.4-22.9178.3170000114.7S859 M864S859-T862 PolarHBondContact O-N 3.19Å; S859-T862 PolarHBondContact O-OG1 3.09Å; S859-T862 VanDerWaalsContact O-OG1 3.07Å; T862-M864 PolarHBondContact O-N 3.4Å
863D28.6Very low30.1Very low116 Ų116153.5 Ų153.562%0.6275%0.749SS**SBendtrans-95.115.1-172.8-62-28.7000114.8K865D863-K865 PolarHBondContact O-N 3.49Å
864M26.6Very low29.1Very low165 Ų165151.2 Ų151.281%0.81375%0.749SS**THydrogen-bonded Turntrans-96.342.9173.7-84.7-79.697.900113.4T862T862-M864 PolarHBondContact O-N 3.4Å
865K29.1Very low28.3Very low195 Ų195152.9 Ų152.985%0.84876%0.757SS**THydrogen-bonded Turntrans-136.4-3.6167.3-81.4-164.4173.7-176.30115.9D863D863-K865 PolarHBondContact O-N 3.49Å
866T31.1Very low27.7Very low115 Ų115155.6 Ų155.671%0.70676%0.761SS**SBendtrans-137.863.5-174.540.80000112.4
867L26.7Very low27.3Very low157 Ų157155.4 Ų155.482%0.82276%0.761SS**  trans-161.739.1160.6-109155.3000113.7R869L867-R869 PolarHBondContact O-N 3.35Å
868S28.1Very low26.9Very low113 Ų113157.8 Ų157.879%0.7977%0.766SS**  trans-89.180165.1540000111.2
869R30.5Very low26.6Very low229 Ų229158.6 Ų158.686%0.86477%0.767SS**  trans167.1105.6153.7-97.9161.2174.8178.7-1.4111.5L867L867-R869 PolarHBondContact O-N 3.35Å
870K26.3Very low26.3Very low188 Ų188161 Ų16182%0.81778%0.782SS**  155.4127.3128.5-86.5170.5-179.6-174.50110.9
871H25.3Very low25.9Very low163 Ų163158.2 Ų158.276%0.75578%0.781SS**  trans57.6126.9170.7-59.3-70.1000116.9
872W22.9Very low25.6Very low258 Ų258151.1 Ų151.198%0.97777%0.769SS**  cis64.672.610.1-115.547.2000115.6
873S23Very low25.4Very low94 Ų94155.5 Ų155.566%0.65778%0.779SS**  trans173.5109.2155.251.20000105.9
874S22.9Very low25.3Very low97 Ų97153.5 Ų153.568%0.67878%0.779SS**  109.4138.45759.60000109.5
875L24.4Very low25.2Very low148 Ų148152.7 Ų152.778%0.77578%0.778SS**  trans67.2119165.4-59.5146.9000115.1
876Q23.7Very low25.2Very low154 Ų154149.2 Ų149.272%0.7277%0.773SS**  cis82.4132.245.3-164.4173.2-0.200112.6
877D24.2Very low24.9Very low132 Ų132148.8 Ų148.871%0.70678%0.775SS**  trans66.3126.6179.6-53.4-36.7000115.8
878Y23.8Very low25Very low230 Ų230145.8 Ų145.890%0.90277%0.767SS**  -148.3146.368.4-110-99.1000114.4
879K24.6Very low25Very low194 Ų194148.7 Ų148.784%0.84377%0.766SS**  trans-93162161.8-99.8-177.3177.6176.60110.9
880C21.7Very low24.7Very low118 Ų118144.5 Ų144.580%0.79775%0.754SS**  trans97.8146.3146.2-1440000118.7
881S22.4Very low24.7Very low105 Ų105144.3 Ų144.373%0.73475%0.748SS**  trans65.4146.5161.257.50000118.6
882S23.8Very low24.7Very low95 Ų95142.9 Ų142.966%0.66474%0.741SS**  cis-173.5141.6-14.348.50000112.1
883F24.5Very low24.8Very low199 Ų199137.3 Ų137.387%0.87373%0.73SS**  trans69.6154.8131.8-87.3-106.2000125
884A25Very low24.9Very low75 Ų75140.1 Ų140.162%0.6274%0.737SS**  trans77111.9148.700000117.8
885N26.3Very low25.1Very low147 Ų147139.8 Ų139.879%0.78674%0.735SS**  73.213276.4-63.6-21.7000111.2
886T28.3Very low25.1Very low123 Ų123139 Ų13976%0.75573%0.731SS**  cis-153.3143.348.930.80000110.8
887S25.6Very low25.3Very low106 Ų106139.1 Ų139.174%0.74174%0.737SS**  63.8145.582.2113.90000114.1
888S27.1Very low25.4Very low94 Ų94136 Ų13666%0.65774%0.736SS**  cis-154.8174.3-6.247.20000107
889K28.3Very low25.6Very low174 Ų174136.3 Ų136.376%0.75774%0.737SS**  cis-163.3176.942.9-67.9-179.9-179.6168.90107.6
890F25.2Very low27Very low140 Ų140131.7 Ų131.761%0.61473%0.727SS**  cis-162.7143.2-6.1-125.7-151.8000109.1
891R25.9Very low27.3Very low184 Ų184134.9 Ų134.969%0.69473%0.728SS**  trans56.6146.5141.1-68.1177.8-176.9-171.61.8120.4
892H26.4Very low27.8Very low133 Ų133142.5 Ų142.562%0.61675%0.748SS**  cis-161.8158.47.1-124.4-44.3000112.2
893L25Very low28Very low141 Ų141144.9 Ų144.974%0.73875%0.752SS**  trans72.7119153.9-63.3162.2000116.2
894L24.8Very low28.2Very low154 Ų154142.1 Ų142.181%0.80675%0.746SS**  cis57.7135.743-60.1166.9000112.6
895S25.4Very low28.4Very low90 Ų90145.8 Ų145.863%0.62975%0.753SS**  cis-170.1172.2-2.844.80000108.8
896N26Very low28.5Very low131 Ų131145.7 Ų145.770%0.70175%0.751SS**  trans142.4116137.6-74.511.4000113.5
897D28.1Very low28.5Very low156 Ų156147.1 Ų147.183%0.83475%0.75SS**  37.7139.5121.5-52-27.9000121.5
898G26.3Very low28.7Very low68 Ų68149.9 Ų149.970%0.70175%0.751SS**  128.363.1122.400000119
899Y26.5Very low28.8Very low236 Ų236153.9 Ų153.993%0.92576%0.758SS**  trans56.6179.1132.4-100.3-50.9000118.6
900P54.8Low28.8Very low96 Ų96152.3 Ų152.362%0.62376%0.758SS**  trans-108.9178.3-141.542.1-29000112.4
901F27.8Very low29.1Very low186 Ų186153.3 Ų153.382%0.81677%0.77SS**  trans-158.5124.9137.6-108.2-67.7000113
902K32.8Very low29.4Very low265 Ų265150.5 Ų150.5100%1.15278%0.777SS**  trans53.50156.7-77.7167.4-177.6-179.10119.4

Retrieved 902 of 902 residues in 225 ms (Link to these results)

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