A0A077Z5K8_TRITR Loading...

Hydrolase like2 and E1-E2 ATPase and Cation ATPas e C domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5K8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 769 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
1M75Confident81.9Confident171 Ų17163.2 Ų63.284%0.84233%0.325SS*.  0-54.10-63.9-48.4-179.300112.1V3 I4 I5M1-V3 PolarHBondContact O-N 2.91Å; M1-I4 PolarHBondContact O-N 3.11Å; M1-I4 VanDerWaalsContact O-N 3.1Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å; M1-I5 PolarHBondContact O-N 3.35Å; M1-I5 VanDerWaalsContact O-N 3.08Å
2T76.3Confident82.3Confident27 Ų2766.3 Ų66.317%0.16634%0.341CS..Hα-helixtrans-48.1-54178.258.40000113.5I4 I5 V6 V40 F354T2-I4 VanDerWaalsContact C-N 3.3Å; T2-I4 PolarHBondContact O-N 3.39Å; T2-I5 PolarHBondContact O-N 3.29Å; T2-V6 WeakPolarHBondContact O-CG2 3.26Å; T2-V6 PolarHBondContact O-N 3.26Å; T2-V6 VanDerWaalsContact O-N 3.08Å; T2-V40 HydrophobicContact CG2-CG1 4.04Å; T2-F354 HydrophobicContact CG2-CD2 3.35Å; T2-F354 HydrophobicContact CG2-CE2 3.83Å; T2-F354 HydrophobicContact CG2-CG 4.42Å
3V79.5Confident82.5Confident56 Ų5664.8 Ų64.834%0.33933%0.332SS..Hα-helixtrans-48.9-51.2176.4-179.60000111.7M1 V6 I7 S37M1-V3 PolarHBondContact O-N 2.91Å; V3-V6 PolarHBondContact O-N 2.6Å; V3-I7 HydrophobicContact CG1-CD1 3.56Å; V3-I7 HydrophobicContact CG1-CG1 4.37Å; V3-I7 VanDerWaalsContact O-CB 3.29Å; V3-I7 WeakPolarHBondContact O-CB 3.3Å; V3-I7 VanDerWaalsContact O-CG1 3.26Å; V3-I7 WeakPolarHBondContact O-CG1 3.49Å; V3-I7 PolarHBondContact O-N 3.28Å; V3-S37 WeakPolarHBondContact CA-OG 3.25Å; V3-S37 WeakPolarHBondContact CG2-OG 3.33Å
4I83.6Confident82.5Confident95 Ų9562.4 Ų62.449%0.48732%0.318SS..Hα-helixtrans-66.2-45-172.4-62.7171.6000109.4M1 T2 L8M1-I4 PolarHBondContact O-N 3.11Å; M1-I4 VanDerWaalsContact O-N 3.1Å; T2-I4 VanDerWaalsContact C-N 3.3Å; T2-I4 PolarHBondContact O-N 3.39Å; I4-L8 HydrophobicContact CG2-CD1 3.54Å; I4-L8 HydrophobicContact CG2-CG 4.08Å; I4-L8 WeakPolarHBondContact O-CB 3.41Å; I4-L8 WeakPolarHBondContact O-CG 2.91Å; I4-L8 PolarHBondContact O-N 3.01Å
5I83.2Confident82.6Confident69 Ų6962.1 Ų62.135%0.35431%0.312SS..Hα-helixtrans-62.7-47.4-179.2-66.3165.9000110.7M1 T2 L8 R9 F354M1-I5 WeakPolarHBondContact O-CG1 3.4Å; M1-I5 PolarHBondContact O-N 3.35Å; M1-I5 VanDerWaalsContact O-N 3.08Å; T2-I5 PolarHBondContact O-N 3.29Å; I5-L8 PolarHBondContact O-N 3.07Å; I5-R9 VanDerWaalsContact O-CB 3.22Å; I5-R9 WeakPolarHBondContact O-CB 3.42Å; I5-R9 PolarHBondContact O-N 3.32Å; I5-F354 HydrophobicContact CD1-CE2 3.97Å; I5-F354 HydrophobicContact CD1-CZ 4Å
6V81.6Confident82.7Confident8 Ų861.5 Ų61.55%0.04833%0.326CS..Hα-helixtrans-68-43.4-177.31800000111.2T2 V3 F10 F33 A357T2-V6 WeakPolarHBondContact O-CG2 3.26Å; T2-V6 PolarHBondContact O-N 3.26Å; T2-V6 VanDerWaalsContact O-N 3.08Å; V3-V6 PolarHBondContact O-N 2.6Å; V6-F10 WeakPolarHBondContact O-CB 3.06Å; V6-F10 PolarHBondContact O-N 3.43Å; V6-F33 HydrophobicContact CG1-CB 3.95Å; V6-F33 HydrophobicContact CG1-CD1 3.14Å; V6-F33 HydrophobicContact CG1-CD2 4.15Å; V6-F33 HydrophobicContact CG1-CE1 3.52Å; V6-F33 HydrophobicContact CG1-CE2 4.48Å; V6-F33 HydrophobicContact CG1-CG 3.48Å; V6-F33 VanDerWaalsContact CG1-CG 3.48Å; V6-F33 HydrophobicContact CG1-CZ 4.19Å; V6-A357 HydrophobicContact CG2-CB 3.95Å
7I84.4Confident82.9Confident46 Ų4665.4 Ų65.424%0.23635%0.346CS..Hα-helixtrans-64.1-47176.5-72178.1000111.1V3 F10 C11 F30 F33V3-I7 HydrophobicContact CG1-CD1 3.56Å; V3-I7 HydrophobicContact CG1-CG1 4.37Å; V3-I7 VanDerWaalsContact O-CB 3.29Å; V3-I7 WeakPolarHBondContact O-CB 3.3Å; V3-I7 VanDerWaalsContact O-CG1 3.26Å; V3-I7 WeakPolarHBondContact O-CG1 3.49Å; V3-I7 PolarHBondContact O-N 3.28Å; I7-F10 PolarHBondContact O-N 2.92Å; I7-C11 WeakPolarHBondContact O-CB 3.31Å; I7-C11 PolarHBondContact O-N 3.09Å; I7-C11 PolarHBondContact O-SG 3.13Å; I7-F30 HydrophobicContact CG1-CD1 4.36Å; I7-F30 HydrophobicContact CG2-CE1 4.09Å; I7-F33 HydrophobicContact CG1-CB 4.46Å
8L86.1Confident83Confident97 Ų9768.4 Ų68.451%0.50836%0.355SS..Hα-helixtrans-62.9-44.9179.5-74.6176.7000111.1I4 I5 C11 I12I4-L8 HydrophobicContact CG2-CD1 3.54Å; I4-L8 HydrophobicContact CG2-CG 4.08Å; I4-L8 WeakPolarHBondContact O-CB 3.41Å; I4-L8 WeakPolarHBondContact O-CG 2.91Å; I4-L8 PolarHBondContact O-N 3.01Å; I5-L8 PolarHBondContact O-N 3.07Å; L8-C11 PolarHBondContact O-N 2.68Å; L8-I12 WeakPolarHBondContact O-CB 3.31Å; L8-I12 WeakPolarHBondContact O-CD1 3.34Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 2.91Å
9R84Confident82.9Confident80 Ų8071 Ų7130%0.30238%0.375SS..Hα-helixtrans-59.3-49177.4-175.2177.6174.6-158.2-18111.2I5 C11 I12 E13 C358 A359I5-R9 VanDerWaalsContact O-CB 3.22Å; I5-R9 WeakPolarHBondContact O-CB 3.42Å; I5-R9 PolarHBondContact O-N 3.32Å; R9-C11 PolarHBondContact O-N 3.33Å; R9-I12 PolarHBondContact O-N 3.13Å; R9-E13 HydrophobicContact CG-CG 4.43Å; R9-E13 IonicContact CZ-OE1 2.77Å; R9-E13 VanDerWaalsContact CZ-OE1 3.29Å; R9-E13 IonicContact NE-OE1 3.46Å; R9-E13 PolarHBondContact NE-OE1 3.28Å; R9-E13 IonicContact NH2-OE1 2.75Å; R9-E13 PolarHBondContact NH2-OE1 3.42Å; R9-E13 WeakPolarHBondContact O-CB 3.28Å; R9-E13 WeakPolarHBondContact O-CG 3.5Å; R9-E13 PolarHBondContact O-N 2.99Å; R9-C358 PolarHBondContact NH1-O 3.2Å; R9-A359 PolarHBondContact NH1-O 3.44Å
10F82.9Confident82.6Confident7 Ų775.1 Ų75.13%0.03139%0.385CS..Hα-helixtrans-60.1-44.3177.1179.1-102.6000112.5V6 I7 I12 E13 E14 Y29 F30 F33V6-F10 WeakPolarHBondContact O-CB 3.06Å; V6-F10 PolarHBondContact O-N 3.43Å; I7-F10 PolarHBondContact O-N 2.92Å; F10-I12 PolarHBondContact O-N 3.36Å; F10-E13 PolarHBondContact O-N 3.44Å; F10-E14 HydrophobicContact CD2-CG 4.09Å; F10-E14 HydrophobicContact CE2-CG 3.67Å; F10-E14 HydrophobicContact CZ-CG 3.94Å; F10-E14 PolarHBondContact O-N 3.25Å; F10-Y29 HydrophobicContact CE2-CD1 4.13Å; F10-Y29 HydrophobicContact CE2-CD2 4.12Å; F10-Y29 AromaticContact CE2-CG 3.78Å; F10-Y29 HydrophobicContact CE2-CG 3.78Å; F10-Y29 AromaticContact CZ-CD2 3.85Å; F10-Y29 HydrophobicContact CZ-CD2 3.85Å; F10-Y29 AromaticContact CZ-CG 3.75Å; F10-Y29 HydrophobicContact CZ-CG 3.75Å; F10-F30 HydrophobicContact CD1-CE1 4.14Å; F10-F30 HydrophobicContact CD1-CZ 4.17Å; F10-F30 HydrophobicContact CE1-CE2 4.46Å; F10-F30 HydrophobicContact CE1-CZ 4.21Å; F10-F33 HydrophobicContact CB-CD2 4.43Å; F10-F33 HydrophobicContact CB-CE2 3.49Å; F10-F33 VanDerWaalsContact CB-CE2 3.49Å; F10-F33 HydrophobicContact CB-CZ 3.81Å; F10-F33 AromaticContact CD1-CE2 3.78Å; F10-F33 HydrophobicContact CD1-CE2 3.78Å; F10-F33 AromaticContact CD2-CE2 3.6Å; F10-F33 HydrophobicContact CD2-CE2 3.6Å; F10-F33 AromaticContact CD2-CZ 3.56Å; F10-F33 HydrophobicContact CD2-CZ 3.56Å; F10-F33 HydrophobicContact CE1-CE2 4.37Å; F10-F33 HydrophobicContact CE2-CE2 4.21Å; F10-F33 HydrophobicContact CE2-CZ 4.22Å; F10-F33 HydrophobicContact CG-CD2 4.49Å; F10-F33 AromaticContact CG-CE2 3.34Å; F10-F33 HydrophobicContact CG-CE2 3.34Å; F10-F33 AromaticContact CG-CZ 3.75Å; F10-F33 HydrophobicContact CG-CZ 3.75Å
11C85Confident82.4Confident39 Ų3975.5 Ų75.526%0.26440%0.399SS..Hα-helixtrans-63.5-40.9177.5-73.40000112I7 L8 R9 Y15 G16I7-C11 WeakPolarHBondContact O-CB 3.31Å; I7-C11 PolarHBondContact O-N 3.09Å; I7-C11 PolarHBondContact O-SG 3.13Å; L8-C11 PolarHBondContact O-N 2.68Å; R9-C11 PolarHBondContact O-N 3.33Å; C11-Y15 HydrophobicContact CB-CD2 4.16Å; C11-Y15 WeakPolarHBondContact O-CA 3.45Å; C11-Y15 VanDerWaalsContact O-CB 3.26Å; C11-Y15 WeakPolarHBondContact O-CB 3.05Å; C11-Y15 PolarHBondContact O-N 2.99Å; C11-G16 PolarHBondContact O-N 3.42Å
12I86.6Confident82.4Confident100 Ų10073 Ų7351%0.51339%0.394SS..Iπ-helixtrans-66.5-44.7177.3-68.8164.2000110.4L8 R9 F10 G16 I17L8-I12 WeakPolarHBondContact O-CB 3.31Å; L8-I12 WeakPolarHBondContact O-CD1 3.34Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 2.91Å; R9-I12 PolarHBondContact O-N 3.13Å; F10-I12 PolarHBondContact O-N 3.36Å; I12-G16 CarbonylContact O-C 3.55Å; I12-G16 WeakPolarHBondContact O-CA 3.4Å; I12-G16 PolarHBondContact O-N 3.38Å; I12-I17 HydrophobicContact CG2-CD1 4.35Å; I12-I17 PolarHBondContact O-N 3.44Å
13E84Confident82.4Confident48 Ų4874.2 Ų74.222%0.22440%0.403CS..Iπ-helixtrans-71.5-48.4-177.3-71.1-169.1-15900112.9R9 F10 K18R9-E13 HydrophobicContact CG-CG 4.43Å; R9-E13 IonicContact CZ-OE1 2.77Å; R9-E13 VanDerWaalsContact CZ-OE1 3.29Å; R9-E13 IonicContact NE-OE1 3.46Å; R9-E13 PolarHBondContact NE-OE1 3.28Å; R9-E13 IonicContact NH2-OE1 2.75Å; R9-E13 PolarHBondContact NH2-OE1 3.42Å; R9-E13 WeakPolarHBondContact O-CB 3.28Å; R9-E13 WeakPolarHBondContact O-CG 3.5Å; R9-E13 PolarHBondContact O-N 2.99Å; F10-E13 PolarHBondContact O-N 3.44Å; E13-K18 WeakPolarHBondContact O-CB 3.49Å; E13-K18 WeakPolarHBondContact O-CG 3.44Å; E13-K18 PolarHBondContact O-N 3.08Å
14E82.5Confident82.4Confident30 Ų3077.4 Ų77.414%0.1442%0.422CS..Iπ-helixtrans-80.9-42.5-176.9-74.2-67.5129.900113.3F10 K18 T19 R20F10-E14 HydrophobicContact CD2-CG 4.09Å; F10-E14 HydrophobicContact CE2-CG 3.67Å; F10-E14 HydrophobicContact CZ-CG 3.94Å; F10-E14 PolarHBondContact O-N 3.25Å; E14-K18 WeakPolarHBondContact OE1-CD 3.36Å; E14-K18 IonicContact OE1-NZ 2.74Å; E14-K18 PolarHBondContact OE1-NZ 3.34Å; E14-T19 PolarHBondContact O-N 3.14Å; E14-R20 PolarHBondContact O-N 3.5Å; E14-R20 WeakPolarHBondContact OE2-CD 3.42Å; E14-R20 IonicContact OE2-NH1 3.26Å; E14-R20 PolarHBondContact OE2-NH1 2.95Å
15Y85Confident82.3Confident59 Ų5976.7 Ų76.723%0.23142%0.419CS..Iπ-helixtrans-95.2-35.3-176.9-54.4-57.9000113.1C11 R20 V22 S26 F30C11-Y15 HydrophobicContact CB-CD2 4.16Å; C11-Y15 WeakPolarHBondContact O-CA 3.45Å; C11-Y15 VanDerWaalsContact O-CB 3.26Å; C11-Y15 WeakPolarHBondContact O-CB 3.05Å; C11-Y15 PolarHBondContact O-N 2.99Å; Y15-R20 VanDerWaalsContact CD1-O 3.32Å; Y15-R20 WeakPolarHBondContact CD1-O 3.44Å; Y15-V22 HydrophobicContact CD1-CG2 4.21Å; Y15-V22 HydrophobicContact CE1-CB 4.27Å; Y15-V22 HydrophobicContact CE1-CG2 3.62Å; Y15-S26 WeakPolarHBondContact OH-CB 3.44Å; Y15-S26 PolarHBondContact OH-OG 3.43Å; Y15-F30 HydrophobicContact CE2-CZ 4.35Å
16G83.9Confident82.1Confident52 Ų5273.9 Ų73.954%0.53641%0.406SS..Iπ-helixtrans-79.1-54.7-179.900000113.2C11 I12C11-G16 PolarHBondContact O-N 3.42Å; I12-G16 CarbonylContact O-C 3.55Å; I12-G16 WeakPolarHBondContact O-CA 3.4Å; I12-G16 PolarHBondContact O-N 3.38Å
17I86.5Confident82.2Confident128 Ų12878.5 Ų78.566%0.65643%0.429SS*.Iπ-helixtrans-89.8-50.4-172.5-60.2172.2000111.5I12 T19I12-I17 HydrophobicContact CG2-CD1 4.35Å; I12-I17 PolarHBondContact O-N 3.44Å; I17-T19 VanDerWaalsContact C-N 3.34Å
18K84.7Confident82.1Confident119 Ų11982 Ų8252%0.51745%0.445SS..SBendtrans-82.9-9.4-177.4-64.1175.9-163165.80113.7E13 E14 R20E13-K18 WeakPolarHBondContact O-CB 3.49Å; E13-K18 WeakPolarHBondContact O-CG 3.44Å; E13-K18 PolarHBondContact O-N 3.08Å; E14-K18 WeakPolarHBondContact OE1-CD 3.36Å; E14-K18 IonicContact OE1-NZ 2.74Å; E14-K18 PolarHBondContact OE1-NZ 3.34Å; K18-R20 PolarHBondContact O-N 3.5Å
19T80.2Confident81.9Confident118 Ų11881.7 Ų81.772%0.72444%0.437SS*.  trans51.238177.657.50000114.3E14 I17E14-T19 PolarHBondContact O-N 3.14Å; I17-T19 VanDerWaalsContact C-N 3.34Å
20R77.4Confident81.9Confident152 Ų15280.6 Ų80.657%0.57444%0.435SS*.  trans-80.6139.9-177.3-152.7174.9-166174.73.4111E14 Y15 K18E14-R20 PolarHBondContact O-N 3.5Å; E14-R20 WeakPolarHBondContact OE2-CD 3.42Å; E14-R20 IonicContact OE2-NH1 3.26Å; E14-R20 PolarHBondContact OE2-NH1 2.95Å; Y15-R20 VanDerWaalsContact CD1-O 3.32Å; Y15-R20 WeakPolarHBondContact CD1-O 3.44Å; K18-R20 PolarHBondContact O-N 3.5Å
21A78.1Confident82Confident84 Ų8483.9 Ų83.969%0.69446%0.455SS*.  trans-64.7142173.400000111.1S23A21-S23 PolarHBondContact O-N 3.35Å; A21-S23 VanDerWaalsContact O-N 3.1Å
22V75.8Confident81.8Confident119 Ų11984.2 Ų84.272%0.72145%0.452SS*.  trans-59.9115.1175.6-177.30000108.8Y15Y15-V22 HydrophobicContact CD1-CG2 4.21Å; Y15-V22 HydrophobicContact CE1-CB 4.27Å; Y15-V22 HydrophobicContact CE1-CG2 3.62Å
23S76.6Confident81.6Confident53 Ų5379.6 Ų79.637%0.37143%0.428SS..  trans-115.5161.5179.870.50000110.5A21 L25 S26A21-S23 PolarHBondContact O-N 3.35Å; A21-S23 VanDerWaalsContact O-N 3.1Å; S23-L25 PolarHBondContact O-N 3.21Å; S23-L25 VanDerWaalsContact O-N 3.14Å; S23-S26 VanDerWaalsContact O-CB 3.23Å; S23-S26 WeakPolarHBondContact O-CB 3.4Å; S23-S26 PolarHBondContact O-N 3.48Å; S23-S26 PolarHBondContact O-OG 2.83Å
24V79.3Confident81.6Confident122 Ų12281.7 Ų81.774%0.73944%0.44SS*.Hα-helixtrans-58.4-27.5177-178.30000111.6S26 I27V24-S26 PolarHBondContact O-N 3.13Å; V24-I27 WeakPolarHBondContact O-CB 3.36Å; V24-I27 PolarHBondContact O-N 3.24Å; V24-I27 VanDerWaalsContact O-N 3.11Å
25L80.3Confident81.7Confident80 Ų8084.6 Ų84.642%0.41946%0.456SS..Hα-helixtrans-62.6-29.9175.7-166.271.5000112.5S23 I27 Q28 Y29S23-L25 PolarHBondContact O-N 3.21Å; S23-L25 VanDerWaalsContact O-N 3.14Å; L25-I27 PolarHBondContact O-N 3.49Å; L25-Q28 WeakPolarHBondContact O-CB 3.39Å; L25-Q28 PolarHBondContact O-N 2.98Å; L25-Y29 HydrophobicContact CD2-CE2 4.11Å; L25-Y29 HydrophobicContact CG-CE2 3.99Å; L25-Y29 WeakPolarHBondContact O-CD2 3.23Å; L25-Y29 PolarHBondContact O-N 2.94Å
26S80.1Confident81.4Confident11 Ų1182.5 Ų82.58%0.07745%0.448CS..Hα-helixtrans-60.7-31.8175.5-56.80000112.3Y15 S23 V24 Q28 Y29 F30Y15-S26 WeakPolarHBondContact OH-CB 3.44Å; Y15-S26 PolarHBondContact OH-OG 3.43Å; S23-S26 VanDerWaalsContact O-CB 3.23Å; S23-S26 WeakPolarHBondContact O-CB 3.4Å; S23-S26 PolarHBondContact O-N 3.48Å; S23-S26 PolarHBondContact O-OG 2.83Å; V24-S26 PolarHBondContact O-N 3.13Å; S26-Q28 VanDerWaalsContact C-N 3.3Å; S26-Q28 PolarHBondContact O-N 3.37Å; S26-Y29 PolarHBondContact O-N 3.34Å; S26-F30 WeakPolarHBondContact O-CD2 3.2Å; S26-F30 PolarHBondContact O-N 3.24Å
27I82.7Confident81.3Confident105 Ų10580.5 Ų80.554%0.53843%0.426SS..Hα-helixtrans-63.3-39176.2-58.5175.2000110.3V24 L25 Y29 F30 V31V24-I27 WeakPolarHBondContact O-CB 3.36Å; V24-I27 PolarHBondContact O-N 3.24Å; V24-I27 VanDerWaalsContact O-N 3.11Å; L25-I27 PolarHBondContact O-N 3.49Å; I27-Y29 VanDerWaalsContact C-N 3.33Å; I27-Y29 PolarHBondContact O-N 3.16Å; I27-F30 PolarHBondContact O-N 2.99Å; I27-V31 HydrophobicContact CG2-CG2 4.45Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.28Å; I27-V31 PolarHBondContact O-N 3.26Å
28Q83.1Confident81.2Confident119 Ų11978.1 Ų78.156%0.55642%0.418SS*.Hα-helixtrans-63.6-38.3177-66.4-171.3-21.400112.1L25 S26 V31 K32L25-Q28 WeakPolarHBondContact O-CB 3.39Å; L25-Q28 PolarHBondContact O-N 2.98Å; S26-Q28 VanDerWaalsContact C-N 3.3Å; S26-Q28 PolarHBondContact O-N 3.37Å; Q28-V31 PolarHBondContact O-N 2.83Å; Q28-K32 PolarHBondContact O-N 3.48Å
29Y81Confident81Confident90 Ų9073.6 Ų73.635%0.35340%0.4SS..Hα-helixtrans-66.2-44.2174.5-72.5-74.9000112.2F10 L25 S26 I27 V31 K32 F33F10-Y29 HydrophobicContact CE2-CD1 4.13Å; F10-Y29 HydrophobicContact CE2-CD2 4.12Å; F10-Y29 AromaticContact CE2-CG 3.78Å; F10-Y29 HydrophobicContact CE2-CG 3.78Å; F10-Y29 AromaticContact CZ-CD2 3.85Å; F10-Y29 HydrophobicContact CZ-CD2 3.85Å; F10-Y29 AromaticContact CZ-CG 3.75Å; F10-Y29 HydrophobicContact CZ-CG 3.75Å; L25-Y29 HydrophobicContact CD2-CE2 4.11Å; L25-Y29 HydrophobicContact CG-CE2 3.99Å; L25-Y29 WeakPolarHBondContact O-CD2 3.23Å; L25-Y29 PolarHBondContact O-N 2.94Å; S26-Y29 PolarHBondContact O-N 3.34Å; I27-Y29 VanDerWaalsContact C-N 3.33Å; I27-Y29 PolarHBondContact O-N 3.16Å; Y29-V31 VanDerWaalsContact C-N 3.31Å; Y29-V31 PolarHBondContact O-N 3.04Å; Y29-K32 WeakPolarHBondContact O-CA 3.48Å; Y29-K32 WeakPolarHBondContact O-CB 3.44Å; Y29-K32 PolarHBondContact O-N 3.46Å; Y29-K32 VanDerWaalsContact O-N 3.1Å; Y29-F33 WeakPolarHBondContact O-CD2 3.4Å; Y29-F33 VanDerWaalsContact O-CG 3.26Å; Y29-F33 WeakPolarHBondContact O-CG 3.41Å; Y29-F33 PolarHBondContact O-N 3.39Å
30F84.4Confident81.2Confident58 Ų5868.5 Ų68.525%0.25437%0.369SS..Hα-helixtrans-59.7-42175-72.2-60.1000112.2I7 F10 Y15 S26 I27 K32 F33 I34I7-F30 HydrophobicContact CG1-CD1 4.36Å; I7-F30 HydrophobicContact CG2-CE1 4.09Å; F10-F30 HydrophobicContact CD1-CE1 4.14Å; F10-F30 HydrophobicContact CD1-CZ 4.17Å; F10-F30 HydrophobicContact CE1-CE2 4.46Å; F10-F30 HydrophobicContact CE1-CZ 4.21Å; Y15-F30 HydrophobicContact CE2-CZ 4.35Å; S26-F30 WeakPolarHBondContact O-CD2 3.2Å; S26-F30 PolarHBondContact O-N 3.24Å; I27-F30 PolarHBondContact O-N 2.99Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 2.96Å; F30-F33 HydrophobicContact CD1-CD2 4.45Å; F30-F33 PolarHBondContact O-N 2.82Å; F30-I34 VanDerWaalsContact O-CG1 3.32Å; F30-I34 WeakPolarHBondContact O-CG1 3.44Å; F30-I34 PolarHBondContact O-N 2.95Å
31V85.5Confident81.5Confident75 Ų7567 Ų6746%0.45537%0.371SS..Hα-helixtrans-61-44.1174.11730000110.6I27 Q28 Y29 F33 I34 I35I27-V31 HydrophobicContact CG2-CG2 4.45Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.28Å; I27-V31 PolarHBondContact O-N 3.26Å; Q28-V31 PolarHBondContact O-N 2.83Å; Y29-V31 VanDerWaalsContact C-N 3.31Å; Y29-V31 PolarHBondContact O-N 3.04Å; V31-F33 PolarHBondContact O-N 3Å; V31-I34 PolarHBondContact O-N 3.06Å; V31-I35 HydrophobicContact CG1-CD1 3.85Å; V31-I35 HydrophobicContact CG1-CG1 4.45Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.45Å; V31-I35 PolarHBondContact O-N 3.33Å
32K80.3Confident81.7Confident46 Ų4665.5 Ų65.520%0.235%0.353CS..Hα-helixtrans-58.4-44.5175.3-173-177.5177.8-174.90111.9Q28 Y29 F30 I34 I35 I36 D362Q28-K32 PolarHBondContact O-N 3.48Å; Y29-K32 WeakPolarHBondContact O-CA 3.48Å; Y29-K32 WeakPolarHBondContact O-CB 3.44Å; Y29-K32 PolarHBondContact O-N 3.46Å; Y29-K32 VanDerWaalsContact O-N 3.1Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 2.96Å; K32-I34 PolarHBondContact O-N 3.41Å; K32-I35 PolarHBondContact O-N 3.19Å; K32-I36 HydrophobicContact CG-CD1 4.14Å; K32-I36 WeakPolarHBondContact O-CG1 3.45Å; K32-I36 PolarHBondContact O-N 3.01Å; K32-D362 WeakPolarHBondContact CE-OD1 3.46Å; K32-D362 VanDerWaalsContact CE-OD2 3.31Å; K32-D362 WeakPolarHBondContact CE-OD2 3.27Å; K32-D362 IonicContact NZ-OD1 3.29Å; K32-D362 IonicContact NZ-OD2 2.92Å; K32-D362 PolarHBondContact NZ-OD2 3.27Å
33F82.4Confident81.9Confident4 Ų459.9 Ų59.92%0.01832%0.319CS..Hα-helixtrans-67.1-36.1178.8-58.1-39.6000113.2V6 I7 F10 Y29 F30 V31 I36 S37V6-F33 HydrophobicContact CG1-CB 3.95Å; V6-F33 HydrophobicContact CG1-CD1 3.14Å; V6-F33 HydrophobicContact CG1-CD2 4.15Å; V6-F33 HydrophobicContact CG1-CE1 3.52Å; V6-F33 HydrophobicContact CG1-CE2 4.48Å; V6-F33 HydrophobicContact CG1-CG 3.48Å; V6-F33 VanDerWaalsContact CG1-CG 3.48Å; V6-F33 HydrophobicContact CG1-CZ 4.19Å; I7-F33 HydrophobicContact CG1-CB 4.46Å; F10-F33 HydrophobicContact CB-CD2 4.43Å; F10-F33 HydrophobicContact CB-CE2 3.49Å; F10-F33 VanDerWaalsContact CB-CE2 3.49Å; F10-F33 HydrophobicContact CB-CZ 3.81Å; F10-F33 AromaticContact CD1-CE2 3.78Å; F10-F33 HydrophobicContact CD1-CE2 3.78Å; F10-F33 AromaticContact CD2-CE2 3.6Å; F10-F33 HydrophobicContact CD2-CE2 3.6Å; F10-F33 AromaticContact CD2-CZ 3.56Å; F10-F33 HydrophobicContact CD2-CZ 3.56Å; F10-F33 HydrophobicContact CE1-CE2 4.37Å; F10-F33 HydrophobicContact CE2-CE2 4.21Å; F10-F33 HydrophobicContact CE2-CZ 4.22Å; F10-F33 HydrophobicContact CG-CD2 4.49Å; F10-F33 AromaticContact CG-CE2 3.34Å; F10-F33 HydrophobicContact CG-CE2 3.34Å; F10-F33 AromaticContact CG-CZ 3.75Å; F10-F33 HydrophobicContact CG-CZ 3.75Å; Y29-F33 WeakPolarHBondContact O-CD2 3.4Å; Y29-F33 VanDerWaalsContact O-CG 3.26Å; Y29-F33 WeakPolarHBondContact O-CG 3.41Å; Y29-F33 PolarHBondContact O-N 3.39Å; F30-F33 HydrophobicContact CD1-CD2 4.45Å; F30-F33 PolarHBondContact O-N 2.82Å; V31-F33 PolarHBondContact O-N 3Å; F33-I36 HydrophobicContact CD1-CD1 4.48Å; F33-S37 WeakPolarHBondContact O-CB 3.44Å; F33-S37 PolarHBondContact O-N 2.95Å; F33-S37 PolarHBondContact O-OG 2.78Å
34I84.5Confident82.3Confident92 Ų9259.8 Ų59.847%0.47232%0.322SS..Hα-helixtrans-63.1-45.6171.7-68167.8000109.9F30 V31 K32 I36 S37 V38F30-I34 VanDerWaalsContact O-CG1 3.32Å; F30-I34 WeakPolarHBondContact O-CG1 3.44Å; F30-I34 PolarHBondContact O-N 2.95Å; V31-I34 PolarHBondContact O-N 3.06Å; K32-I34 PolarHBondContact O-N 3.41Å; I34-I36 PolarHBondContact O-N 3.4Å; I34-S37 WeakPolarHBondContact O-CB 3.32Å; I34-S37 PolarHBondContact O-N 2.93Å; I34-S37 VanDerWaalsContact O-N 3.16Å; I34-V38 HydrophobicContact CG2-CG2 4.34Å; I34-V38 WeakPolarHBondContact O-CG2 3.5Å; I34-V38 PolarHBondContact O-N 3.11Å
35I83.4Confident82.5Confident90 Ų9057.4 Ų57.446%0.46231%0.307SS..Hα-helixtrans-60.1-46.9177.8-68.4165.4000111.2V31 K32 S37 V38 T39V31-I35 HydrophobicContact CG1-CD1 3.85Å; V31-I35 HydrophobicContact CG1-CG1 4.45Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.45Å; V31-I35 PolarHBondContact O-N 3.33Å; K32-I35 PolarHBondContact O-N 3.19Å; I35-S37 VanDerWaalsContact C-N 3.26Å; I35-S37 PolarHBondContact O-N 2.99Å; I35-V38 PolarHBondContact O-N 3.16Å; I35-T39 WeakPolarHBondContact O-CB 3.43Å; I35-T39 PolarHBondContact O-N 3.23Å; I35-T39 PolarHBondContact O-OG1 3.43Å
36I79.4Confident82.3Confident15 Ų1555.8 Ų55.88%0.07730%0.302CS..Hα-helixtrans-58.6-42.3176.4-68.6166.8000110.2K32 F33 I34 T39 V40 A357K32-I36 HydrophobicContact CG-CD1 4.14Å; K32-I36 WeakPolarHBondContact O-CG1 3.45Å; K32-I36 PolarHBondContact O-N 3.01Å; F33-I36 HydrophobicContact CD1-CD1 4.48Å; I34-I36 PolarHBondContact O-N 3.4Å; I36-T39 WeakPolarHBondContact O-CB 3.21Å; I36-T39 PolarHBondContact O-N 3.22Å; I36-V40 WeakPolarHBondContact O-CG2 3.3Å; I36-V40 PolarHBondContact O-N 2.9Å; I36-A357 HydrophobicContact CG2-CB 4.01Å
37S81.1Confident82.2Confident10 Ų1060.3 Ų60.37%0.0732%0.322CS..Hα-helixtrans-68.3-41.9-179-60.70000113.5V3 F33 I34 I35 T39 V40 L41V3-S37 WeakPolarHBondContact CA-OG 3.25Å; V3-S37 WeakPolarHBondContact CG2-OG 3.33Å; F33-S37 WeakPolarHBondContact O-CB 3.44Å; F33-S37 PolarHBondContact O-N 2.95Å; F33-S37 PolarHBondContact O-OG 2.78Å; I34-S37 WeakPolarHBondContact O-CB 3.32Å; I34-S37 PolarHBondContact O-N 2.93Å; I34-S37 VanDerWaalsContact O-N 3.16Å; I35-S37 VanDerWaalsContact C-N 3.26Å; I35-S37 PolarHBondContact O-N 2.99Å; S37-T39 VanDerWaalsContact C-N 3.26Å; S37-T39 PolarHBondContact O-N 3.48Å; S37-V40 PolarHBondContact O-N 2.96Å; S37-L41 PolarHBondContact O-N 3.23Å
38V85.1Confident81.8Confident79 Ų7955.4 Ų55.448%0.47930%0.297SS..Hα-helixtrans-62.2-39.5172.6172.70000109.8I34 I35 L41 V42I34-V38 HydrophobicContact CG2-CG2 4.34Å; I34-V38 WeakPolarHBondContact O-CG2 3.5Å; I34-V38 PolarHBondContact O-N 3.11Å; I35-V38 PolarHBondContact O-N 3.16Å; V38-L41 WeakPolarHBondContact O-CB 3.12Å; V38-L41 PolarHBondContact O-N 2.91Å; V38-V42 HydrophobicContact CG1-CG2 4.28Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 3.08Å
39T81.4Confident81.6Confident23 Ų2351.8 Ų51.814%0.14128%0.281CS..Hα-helixtrans-60.8-46.8175.9-54.60000111.3I35 I36 S37 L41 V42 V43 A367 M370I35-T39 WeakPolarHBondContact O-CB 3.43Å; I35-T39 PolarHBondContact O-N 3.23Å; I35-T39 PolarHBondContact O-OG1 3.43Å; I36-T39 WeakPolarHBondContact O-CB 3.21Å; I36-T39 PolarHBondContact O-N 3.22Å; S37-T39 VanDerWaalsContact C-N 3.26Å; S37-T39 PolarHBondContact O-N 3.48Å; T39-L41 VanDerWaalsContact C-N 3.28Å; T39-L41 PolarHBondContact O-N 3.38Å; T39-V42 PolarHBondContact O-N 3.42Å; T39-V43 HydrophobicContact CG2-CG2 4.4Å; T39-V43 WeakPolarHBondContact O-CB 3.29Å; T39-V43 WeakPolarHBondContact O-CG2 3.38Å; T39-V43 PolarHBondContact O-N 2.97Å; T39-A367 HydrophobicContact CG2-CB 3.81Å; T39-A367 VanDerWaalsContact OG1-CB 3.3Å; T39-A367 WeakPolarHBondContact OG1-CB 3.3Å; T39-M370 HydrophobicContact CG2-CB 4.25Å
40V82.7Confident81.6Confident12 Ų1251.2 Ų51.27%0.07329%0.29CS..Hα-helixtrans-60.3-38.91761750000111.4T2 I36 S37 V43 A44 A353T2-V40 HydrophobicContact CG2-CG1 4.04Å; I36-V40 WeakPolarHBondContact O-CG2 3.3Å; I36-V40 PolarHBondContact O-N 2.9Å; S37-V40 PolarHBondContact O-N 2.96Å; V40-V43 PolarHBondContact O-N 3.2Å; V40-A44 WeakPolarHBondContact O-CB 3.3Å; V40-A44 PolarHBondContact O-N 2.92Å; V40-A353 HydrophobicContact CG2-CB 3.79Å
41L83.8Confident81.5Confident119 Ų11952.3 Ų52.362%0.62330%0.298SS*.Hα-helixtrans-66.4-45.8177.6-175.672000111.9S37 V38 T39 V43 A44 V45S37-L41 PolarHBondContact O-N 3.23Å; V38-L41 WeakPolarHBondContact O-CB 3.12Å; V38-L41 PolarHBondContact O-N 2.91Å; T39-L41 VanDerWaalsContact C-N 3.28Å; T39-L41 PolarHBondContact O-N 3.38Å; L41-V43 VanDerWaalsContact C-N 3.3Å; L41-V43 PolarHBondContact O-N 3.35Å; L41-A44 PolarHBondContact O-N 3.16Å; L41-V45 PolarHBondContact O-N 2.84Å
42V83.2Confident81.1Confident53 Ų5348.7 Ų48.732%0.32128%0.277SS..Hα-helixtrans-61-42.9176.71710000110V38 T39 A44 V45 L371V38-V42 HydrophobicContact CG1-CG2 4.28Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 3.08Å; T39-V42 PolarHBondContact O-N 3.42Å; V42-A44 VanDerWaalsContact C-N 3.29Å; V42-A44 PolarHBondContact O-N 3.18Å; V42-V45 PolarHBondContact O-N 3.44Å; V42-L371 HydrophobicContact CG1-CD1 4.3Å
43V80.9Confident81.1Confident2 Ų247.8 Ų47.81%0.01228%0.275CS..Hα-helixtrans-66.2-31.4178.5169.20000112.6T39 V40 L41 V45 N346 A349 V350 M370 N374T39-V43 HydrophobicContact CG2-CG2 4.4Å; T39-V43 WeakPolarHBondContact O-CB 3.29Å; T39-V43 WeakPolarHBondContact O-CG2 3.38Å; T39-V43 PolarHBondContact O-N 2.97Å; V40-V43 PolarHBondContact O-N 3.2Å; L41-V43 VanDerWaalsContact C-N 3.3Å; L41-V43 PolarHBondContact O-N 3.35Å; V43-V45 PolarHBondContact O-N 3.33Å; V43-N346 PolarHBondContact O-OD1 3.06Å; V43-A349 HydrophobicContact CG1-CB 3.48Å; V43-A349 VanDerWaalsContact CG1-CB 3.48Å; V43-V350 HydrophobicContact CG1-CG2 4.05Å; V43-M370 HydrophobicContact CB-CE 4.28Å; V43-M370 HydrophobicContact CG1-CE 3.64Å; V43-M370 HydrophobicContact CG2-CB 3.9Å; V43-M370 HydrophobicContact CG2-CE 3.68Å; V43-N374 VanDerWaalsContact CA-ND2 3.28Å; V43-N374 WeakPolarHBondContact CA-ND2 3.32Å; V43-N374 PolarHBondContact O-ND2 2.88Å; V43-N374 VanDerWaalsContact O-ND2 3.11Å
44A83.6Confident81.1Confident50 Ų5048.8 Ų48.841%0.41328%0.284SS..Hα-helixtrans-71.3-17.8178.100000113.5V40 L41 V42 P46 V350V40-A44 WeakPolarHBondContact O-CB 3.3Å; V40-A44 PolarHBondContact O-N 2.92Å; L41-A44 PolarHBondContact O-N 3.16Å; V42-A44 VanDerWaalsContact C-N 3.29Å; V42-A44 PolarHBondContact O-N 3.18Å; A44-P46 WeakPolarHBondContact O-CD 3.13Å; A44-V350 HydrophobicContact CB-CG2 3.8Å
45V83.1Confident81Confident73 Ų7347.7 Ų47.744%0.44228%0.278SS..SBendtrans-94.9115.2178-178.90000109.1L41 V42 V43 E47L41-V45 PolarHBondContact O-N 2.84Å; V42-V45 PolarHBondContact O-N 3.44Å; V43-V45 PolarHBondContact O-N 3.33Å; V45-E47 HydrophobicContact CG1-CG 4.01Å; V45-E47 PolarHBondContact O-N 2.78Å
46P77.8Confident80.7Confident46 Ų4643.5 Ų43.530%0.29926%0.257SS..  trans-76.875.4177.232.7-36.2000110.3A44 G48 L49 N346A44-P46 WeakPolarHBondContact O-CD 3.13Å; P46-G48 PolarHBondContact O-N 2.86Å; P46-L49 HydrophobicContact CB-CB 4.15Å; P46-L49 HydrophobicContact CG-CB 4.5Å; P46-L49 HydrophobicContact CG-CD2 4.47Å; P46-L49 WeakPolarHBondContact O-CB 3.38Å; P46-L49 PolarHBondContact O-N 2.77Å; P46-L49 VanDerWaalsContact O-N 3.15Å; P46-N346 WeakPolarHBondContact CB-ND2 3.34Å
47E77Confident80.8Confident106 Ų10643.2 Ų43.250%0.49526%0.256SS..Hα-helixtrans-59.2-36.9-179.4-65.6-171.5172.100111.8V45 L49 S50V45-E47 HydrophobicContact CG1-CG 4.01Å; V45-E47 PolarHBondContact O-N 2.78Å; E47-L49 PolarHBondContact O-N 3.44Å; E47-S50 PolarHBondContact O-OG 2.7Å
48G74.7Confident80.9Confident2 Ų244 Ų442%0.02126%0.263CS..Hα-helixtrans-65.8-18.4178.800000115P46 A52 Q342P46-G48 PolarHBondContact O-N 2.86Å; G48-A52 WeakPolarHBondContact O-CB 3.33Å; G48-A52 PolarHBondContact O-N 3.15Å; G48-Q342 VanDerWaalsContact C-NE2 3.25Å; G48-Q342 PolarHBondContact O-NE2 3.14Å
49L78.4Confident80.8Confident42 Ų4243.3 Ų43.322%0.2225%0.252CS..Hα-helixtrans-65-51.4-179-177.757.8000112.2P46 E47 L51 A52 V53 L339P46-L49 HydrophobicContact CB-CB 4.15Å; P46-L49 HydrophobicContact CG-CB 4.5Å; P46-L49 HydrophobicContact CG-CD2 4.47Å; P46-L49 WeakPolarHBondContact O-CB 3.38Å; P46-L49 PolarHBondContact O-N 2.77Å; P46-L49 VanDerWaalsContact O-N 3.15Å; E47-L49 PolarHBondContact O-N 3.44Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.44Å; L49-A52 PolarHBondContact O-N 3.08Å; L49-V53 HydrophobicContact CD1-CG2 4.11Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 3.36Å; L49-L339 HydrophobicContact CD1-CD2 3.4Å; L49-L339 VanDerWaalsContact CD1-CD2 3.4Å; L49-L339 HydrophobicContact CD1-CG 3.91Å; L49-L339 HydrophobicContact CD2-CD2 3.58Å; L49-L339 HydrophobicContact CG-CD2 4.13Å
50S80.6Confident80.8Confident79 Ų7942.3 Ų42.355%0.55225%0.246SC*.Hα-helixtrans-61.3-39.9-177.364.40000111.8E47 A54E47-S50 PolarHBondContact O-OG 2.7Å; S50-A54 WeakPolarHBondContact O-CB 3.23Å; S50-A54 PolarHBondContact O-N 3.37Å
51L82.1Confident80.8Confident80 Ų8042.4 Ų42.442%0.41925%0.246SC..Hα-helixtrans-71.9-43.8178.1-17267.8000111.9L49 V53 A54 L55 I379L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.44Å; L51-V53 PolarHBondContact O-N 3.32Å; L51-A54 PolarHBondContact O-N 3.37Å; L51-L55 HydrophobicContact CD1-CD1 4.49Å; L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CD2-CD1 4.46Å; L51-L55 HydrophobicContact CG-CD1 4Å; L51-L55 HydrophobicContact CG-CG 4.36Å; L51-L55 WeakPolarHBondContact O-CB 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 3.42Å; L51-I379 HydrophobicContact CD2-CD1 3.84Å; L51-I379 HydrophobicContact CD2-CG2 3.82Å
52A78.7Confident80.8Confident0 Ų042.3 Ų42.30%024%0.241CC..Hα-helixtrans-61-44.8179.300000111.6G48 L49 A54 L55 A56 A382G48-A52 WeakPolarHBondContact O-CB 3.33Å; G48-A52 PolarHBondContact O-N 3.15Å; L49-A52 PolarHBondContact O-N 3.08Å; A52-A54 PolarHBondContact O-N 2.92Å; A52-L55 PolarHBondContact O-N 3.19Å; A52-A56 WeakPolarHBondContact O-CB 3.46Å; A52-A56 PolarHBondContact O-N 3.1Å; A52-A382 HydrophobicContact CB-CB 3.71Å
53V79.3Confident80.8Confident26 Ų2640.6 Ų40.616%0.15823%0.23CC..Hα-helixtrans-62.4-43.3176173.70000111.4L49 L51 A56 L57 I335L49-V53 HydrophobicContact CD1-CG2 4.11Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 3.36Å; L51-V53 PolarHBondContact O-N 3.32Å; V53-A56 WeakPolarHBondContact O-CB 3.49Å; V53-A56 PolarHBondContact O-N 3.03Å; V53-L57 HydrophobicContact CG1-CD1 4.09Å; V53-L57 WeakPolarHBondContact O-CG 3.27Å; V53-L57 PolarHBondContact O-N 3.28Å; V53-I335 HydrophobicContact CG1-CD1 4.06Å; V53-I335 HydrophobicContact CG1-CG1 4.14Å; V53-I335 HydrophobicContact CG2-CG1 4.31Å; V53-I335 HydrophobicContact CG2-CG2 4.2Å
54A82.1Confident80.7Confident26 Ų2640.6 Ų40.622%0.21523%0.23CC..Hα-helixtrans-63.5-42.5177.400000112.2S50 L51 A52 A58S50-A54 WeakPolarHBondContact O-CB 3.23Å; S50-A54 PolarHBondContact O-N 3.37Å; L51-A54 PolarHBondContact O-N 3.37Å; A52-A54 PolarHBondContact O-N 2.92Å; A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.46Å; A54-A58 PolarHBondContact O-N 3.07Å
55L82.2Confident80.5Confident68 Ų6841.6 Ų41.636%0.35623%0.227SC..Hα-helixtrans-67.5-38.4176.2-70.9174.3000112.2L51 A52 A58 Y59 L383L51-L55 HydrophobicContact CD1-CD1 4.49Å; L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CD2-CD1 4.46Å; L51-L55 HydrophobicContact CG-CD1 4Å; L51-L55 HydrophobicContact CG-CG 4.36Å; L51-L55 WeakPolarHBondContact O-CB 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 3.42Å; A52-L55 PolarHBondContact O-N 3.19Å; L55-A58 PolarHBondContact O-N 3.48Å; L55-Y59 VanDerWaalsContact O-CB 3.28Å; L55-Y59 WeakPolarHBondContact O-CB 3.19Å; L55-Y59 PolarHBondContact O-N 3.47Å; L55-L383 HydrophobicContact CB-CD1 3.69Å; L55-L383 HydrophobicContact CD1-CD1 4.06Å
56A78.6Confident80.4Confident2 Ų244.7 Ų44.72%0.01723%0.234CC..Hα-helixtrans-59.3-48.9175.100000111.6A52 V53 Y59 S60 A386A52-A56 WeakPolarHBondContact O-CB 3.46Å; A52-A56 PolarHBondContact O-N 3.1Å; V53-A56 WeakPolarHBondContact O-CB 3.49Å; V53-A56 PolarHBondContact O-N 3.03Å; A56-Y59 PolarHBondContact O-N 2.76Å; A56-S60 WeakPolarHBondContact O-CB 3.26Å; A56-S60 PolarHBondContact O-N 2.82Å; A56-S60 PolarHBondContact O-OG 2.96Å; A56-A386 HydrophobicContact CB-CB 3.45Å; A56-A386 VanDerWaalsContact CB-CB 3.45Å
57L80.7Confident80.2Confident9 Ų946.1 Ų46.15%0.04724%0.24CC..Hα-helixtrans-63.6-44.1176.7-75.7168000111.4V53 Y59 S60 V61 L74 V331 F687V53-L57 HydrophobicContact CG1-CD1 4.09Å; V53-L57 WeakPolarHBondContact O-CG 3.27Å; V53-L57 PolarHBondContact O-N 3.28Å; L57-Y59 PolarHBondContact O-N 3.24Å; L57-S60 PolarHBondContact O-N 3.5Å; L57-V61 WeakPolarHBondContact O-CB 3.48Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 2.81Å; L57-L74 HydrophobicContact CB-CD2 4.07Å; L57-V331 HydrophobicContact CD2-CG1 3.41Å; L57-V331 VanDerWaalsContact CD2-CG1 3.41Å; L57-V331 HydrophobicContact CD2-CG2 4.43Å; L57-V331 HydrophobicContact CG-CG1 4.34Å; L57-F687 HydrophobicContact CD1-CD2 4.43Å; L57-F687 HydrophobicContact CD1-CE2 4.16Å
58A83Confident79.9Confident26 Ų2646.6 Ų46.622%0.21525%0.246CC..Hα-helixtrans-59.9-45.8177.500000112.1A54 L55 K62 V683A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.46Å; A54-A58 PolarHBondContact O-N 3.07Å; L55-A58 PolarHBondContact O-N 3.48Å; A58-K62 WeakPolarHBondContact O-CB 3.28Å; A58-K62 PolarHBondContact O-N 2.89Å; A58-V683 HydrophobicContact CB-CG1 3.68Å
59Y83.6Confident79.7Confident66 Ų6647.4 Ų47.426%0.25925%0.249SC..Hα-helixtrans-64.5-45.2178.2-176.2-98.9000111.4L55 A56 L57 K62 N63 T387 I491L55-Y59 VanDerWaalsContact O-CB 3.28Å; L55-Y59 WeakPolarHBondContact O-CB 3.19Å; L55-Y59 PolarHBondContact O-N 3.47Å; A56-Y59 PolarHBondContact O-N 2.76Å; L57-Y59 PolarHBondContact O-N 3.24Å; Y59-K62 WeakPolarHBondContact O-CB 3.07Å; Y59-K62 PolarHBondContact O-N 3.03Å; Y59-N63 WeakPolarHBondContact CE1-ND2 3.45Å; Y59-N63 PolarHBondContact O-N 3.23Å; Y59-N63 PolarHBondContact OH-ND2 2.68Å; Y59-T387 HydrophobicContact CD1-CG2 4.17Å; Y59-T387 HydrophobicContact CD2-CG2 4.38Å; Y59-T387 HydrophobicContact CE1-CG2 4.32Å; Y59-T387 HydrophobicContact CG-CG2 4.2Å; Y59-I491 HydrophobicContact CE2-CD1 3.95Å
60S81.3Confident79.5Confident2 Ų251.1 Ų51.11%0.01427%0.268CS..Hα-helixtrans-62.1-45.9177.5-60.20000111.8A56 L57 K62 N63 M64 V331A56-S60 WeakPolarHBondContact O-CB 3.26Å; A56-S60 PolarHBondContact O-N 2.82Å; A56-S60 PolarHBondContact O-OG 2.96Å; L57-S60 PolarHBondContact O-N 3.5Å; S60-K62 VanDerWaalsContact C-N 3.34Å; S60-K62 PolarHBondContact O-N 3.42Å; S60-N63 PolarHBondContact O-N 2.85Å; S60-M64 WeakPolarHBondContact O-CB 3.45Å; S60-M64 VanDerWaalsContact O-CG 3.3Å; S60-M64 WeakPolarHBondContact O-CG 3.16Å; S60-M64 PolarHBondContact O-N 2.63Å; S60-V331 WeakPolarHBondContact OG-CG2 3.38Å
61V81.7Confident79.1Confident13 Ų1348.7 Ų48.78%0.07925%0.25CS..Hα-helixtrans-62.6-41.2175.3169.10000111.2L57 N63 M64 M65 V71 L74L57-V61 WeakPolarHBondContact O-CB 3.48Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 2.81Å; V61-N63 VanDerWaalsContact C-N 3.31Å; V61-N63 PolarHBondContact O-N 3.07Å; V61-M64 PolarHBondContact O-N 2.95Å; V61-M65 HydrophobicContact CG1-CG 4.38Å; V61-M65 HydrophobicContact CG1-SD 4.3Å; V61-M65 WeakPolarHBondContact O-CB 2.8Å; V61-M65 VanDerWaalsContact O-CG 3.24Å; V61-M65 WeakPolarHBondContact O-CG 2.99Å; V61-M65 PolarHBondContact O-N 3.4Å; V61-V71 HydrophobicContact CG1-CB 4.19Å; V61-V71 HydrophobicContact CG2-CB 4.13Å; V61-V71 HydrophobicContact CG2-CG1 4.12Å; V61-V71 HydrophobicContact CG2-CG2 4.38Å; V61-L74 HydrophobicContact CB-CD2 4.39Å; V61-L74 HydrophobicContact CG2-CD2 3.63Å
62K84.1Confident78.7Confident118 Ų11854.9 Ų54.951%0.51327%0.268SS..Hα-helixtrans-61-39.9177-178.4179.9179.5179.60112.1A58 Y59 S60 K66A58-K62 WeakPolarHBondContact O-CB 3.28Å; A58-K62 PolarHBondContact O-N 2.89Å; Y59-K62 WeakPolarHBondContact O-CB 3.07Å; Y59-K62 PolarHBondContact O-N 3.03Å; S60-K62 VanDerWaalsContact C-N 3.34Å; S60-K62 PolarHBondContact O-N 3.42Å; K62-K66 PolarHBondContact O-N 3.21Å
63N83.7Confident78.3Confident16 Ų1660 Ų609%0.08629%0.292CS..Hα-helixtrans-74.8-40.8177.3-73.2-20.7000112Y59 S60 V61 M65 K66 D67 W327Y59-N63 WeakPolarHBondContact CE1-ND2 3.45Å; Y59-N63 PolarHBondContact O-N 3.23Å; Y59-N63 PolarHBondContact OH-ND2 2.68Å; S60-N63 PolarHBondContact O-N 2.85Å; V61-N63 VanDerWaalsContact C-N 3.31Å; V61-N63 PolarHBondContact O-N 3.07Å; N63-M65 PolarHBondContact O-N 2.58Å; N63-K66 WeakPolarHBondContact O-CA 3.39Å; N63-K66 WeakPolarHBondContact O-CB 3.44Å; N63-K66 PolarHBondContact O-N 3.35Å; N63-D67 PolarHBondContact O-N 3.16Å; N63-W327 HydrophobicContact CB-CH2 3.29Å; N63-W327 HydrophobicContact CB-CZ2 3.69Å; N63-W327 HydrophobicContact CB-CZ3 4.03Å
64M79Confident77.8Confident3 Ų359.4 Ų59.42%0.01529%0.288CS..Hα-helixtrans-54.3-40.9170.2-75.1-176.3-125.300111.6S60 V61 K66 D67 N68 H69 V71 C77 W327 V331S60-M64 WeakPolarHBondContact O-CB 3.45Å; S60-M64 VanDerWaalsContact O-CG 3.3Å; S60-M64 WeakPolarHBondContact O-CG 3.16Å; S60-M64 PolarHBondContact O-N 2.63Å; V61-M64 PolarHBondContact O-N 2.95Å; M64-K66 VanDerWaalsContact C-N 3.3Å; M64-K66 PolarHBondContact O-N 3.05Å; M64-D67 CarbonylContact O-C 3.57Å; M64-D67 WeakPolarHBondContact O-CA 3.05Å; M64-D67 PolarHBondContact O-N 3.31Å; M64-D67 VanDerWaalsContact O-N 3.09Å; M64-N68 PolarHBondContact O-N 3.17Å; M64-H69 CarbonylContact C-O 3.57Å; M64-H69 VanDerWaalsContact C-O 3.23Å; M64-H69 HydrophobicContact CB-CB 4.08Å; M64-H69 CarbonylContact O-C 3.43Å; M64-H69 WeakPolarHBondContact O-CA 3.34Å; M64-H69 WeakPolarHBondContact O-CB 3.33Å; M64-H69 PolarHBondContact O-N 2.99Å; M64-V71 HydrophobicContact CB-CG2 4.38Å; M64-V71 HydrophobicContact SD-CG2 3.73Å; M64-C77 HydrophobicContact CE-CB 3.97Å; M64-C77 VanDerWaalsContact CE-SG 3.5Å; M64-C77 VanDerWaalsContact SD-SG 3.64Å; M64-W327 HydrophobicContact CE-CB 3.5Å; M64-W327 VanDerWaalsContact CE-CB 3.5Å; M64-W327 HydrophobicContact CE-CD2 4.13Å; M64-W327 HydrophobicContact CE-CE3 4.03Å; M64-W327 HydrophobicContact CE-CG 3.95Å; M64-W327 HydrophobicContact CG-CB 3.87Å; M64-W327 HydrophobicContact CG-CD2 3.57Å; M64-W327 HydrophobicContact CG-CE3 4.16Å; M64-W327 HydrophobicContact CG-CG 3.41Å; M64-W327 VanDerWaalsContact CG-CG 3.41Å; M64-W327 HydrophobicContact SD-CB 3.66Å; M64-W327 HydrophobicContact SD-CD2 4.45Å; M64-W327 HydrophobicContact SD-CG 3.93Å; M64-V331 HydrophobicContact CE-CG2 4.39Å
65M79.3Confident77.3Confident70 Ų7060.2 Ų60.235%0.34529%0.288SS..Hα-helixtrans-64.5-31.4175.6-74.2-17568.400113.5V61 N63 D67 N68 H69 L70 M672V61-M65 HydrophobicContact CG1-CG 4.38Å; V61-M65 HydrophobicContact CG1-SD 4.3Å; V61-M65 WeakPolarHBondContact O-CB 2.8Å; V61-M65 VanDerWaalsContact O-CG 3.24Å; V61-M65 WeakPolarHBondContact O-CG 2.99Å; V61-M65 PolarHBondContact O-N 3.4Å; N63-M65 PolarHBondContact O-N 2.58Å; M65-D67 VanDerWaalsContact C-N 3.32Å; M65-N68 PolarHBondContact O-N 3.44Å; M65-H69 PolarHBondContact N-O 3.09Å; M65-L70 HydrophobicContact CE-CD1 4Å; M65-L70 HydrophobicContact CG-CD1 4.36Å; M65-L70 HydrophobicContact SD-CD1 4.39Å; M65-M672 HydrophobicContact CE-CE 3.3Å; M65-M672 HydrophobicContact CE-SD 4.39Å; M65-M672 HydrophobicContact SD-CE 4.15Å
66K81Confident76.9Confident138 Ų13858.2 Ų58.260%0.628%0.281SS*.Hα-helixtrans-69.9-34172.3-67.9175.2-179.4170.70111.4K62 N63 M64 N68K62-K66 PolarHBondContact O-N 3.21Å; N63-K66 WeakPolarHBondContact O-CA 3.39Å; N63-K66 WeakPolarHBondContact O-CB 3.44Å; N63-K66 PolarHBondContact O-N 3.35Å; M64-K66 VanDerWaalsContact C-N 3.3Å; M64-K66 PolarHBondContact O-N 3.05Å; K66-N68 PolarHBondContact O-N 2.92Å
67D73.3Confident76.6Confident76 Ų7658.2 Ų58.241%0.40628%0.281SS..THydrogen-bonded Turntrans-80.516.6176.4-60.3-15000112.4N63 M64 M65 H69 W327N63-D67 PolarHBondContact O-N 3.16Å; M64-D67 CarbonylContact O-C 3.57Å; M64-D67 WeakPolarHBondContact O-CA 3.05Å; M64-D67 PolarHBondContact O-N 3.31Å; M64-D67 VanDerWaalsContact O-N 3.09Å; M65-D67 VanDerWaalsContact C-N 3.32Å; D67-H69 PolarHBondContact O-CD2 3.3Å; D67-H69 PolarHBondContact O-N 3.4Å; D67-H69 PolarHBondContact O-NE2 3.3Å; D67-W327 WeakPolarHBondContact OD2-CZ2 3.5Å; D67-W327 PolarHBondContact OD2-NE1 2.83Å; D67-W327 VanDerWaalsContact OD2-NE1 3.1Å
68N70.7Confident76.4Confident117 Ų11760 Ų6063%0.62629%0.289SS*.THydrogen-bonded Turntrans61.918.2-177.1-58.6-57.1000115.4M64 M65 K66 I319M64-N68 PolarHBondContact O-N 3.17Å; M65-N68 PolarHBondContact O-N 3.44Å; K66-N68 PolarHBondContact O-N 2.92Å; N68-I319 HydrophobicContact CB-CD1 4.16Å
69H70.2Confident76.3Confident19 Ų1960.3 Ų60.39%0.08829%0.288CS..  trans-98.397.2175.1-61.9-67.1000110.4M64 M65 D67 V71 A320 D323M64-H69 CarbonylContact C-O 3.57Å; M64-H69 VanDerWaalsContact C-O 3.23Å; M64-H69 HydrophobicContact CB-CB 4.08Å; M64-H69 CarbonylContact O-C 3.43Å; M64-H69 WeakPolarHBondContact O-CA 3.34Å; M64-H69 WeakPolarHBondContact O-CB 3.33Å; M64-H69 PolarHBondContact O-N 2.99Å; M65-H69 PolarHBondContact N-O 3.09Å; D67-H69 PolarHBondContact O-CD2 3.3Å; D67-H69 PolarHBondContact O-N 3.4Å; D67-H69 PolarHBondContact O-NE2 3.3Å; H69-V71 PolarHBondContact O-N 2.88Å; H69-A320 PolarHBondContact CE1-O 3.14Å; H69-D323 IonicContact CE1-OD2 3.4Å; H69-D323 VanDerWaalsContact NE2-CB 3.29Å; H69-D323 WeakPolarHBondContact NE2-CB 3.35Å; H69-D323 IonicContact NE2-OD2 3.98Å; H69-D323 PolarHBondContact NE2-OD2 3.48Å
70L73.4Confident75.9Confident120 Ų12057.7 Ų57.763%0.62828%0.279SS*.  trans-81.8114.2179.1-178.667.5000111.8M65M65-L70 HydrophobicContact CE-CD1 4Å; M65-L70 HydrophobicContact CG-CD1 4.36Å; M65-L70 HydrophobicContact SD-CD1 4.39Å
71V73.2Confident75.6Confident28 Ų2857.6 Ų57.617%0.1728%0.278CS..  trans-95.6116.8175.2179.90000110V61 M64 H69 H73 C77V61-V71 HydrophobicContact CG1-CB 4.19Å; V61-V71 HydrophobicContact CG2-CB 4.13Å; V61-V71 HydrophobicContact CG2-CG1 4.12Å; V61-V71 HydrophobicContact CG2-CG2 4.38Å; M64-V71 HydrophobicContact CB-CG2 4.38Å; M64-V71 HydrophobicContact SD-CG2 3.73Å; H69-V71 PolarHBondContact O-N 2.88Å; V71-H73 WeakPolarHBondContact CG1-O 3.44Å; V71-C77 WeakPolarHBondContact CG1-SG 3.26Å; V71-C77 WeakPolarHBondContact CG2-SG 3.44Å
72R72.7Confident75.3Confident209 Ų20958.1 Ų58.179%0.78928%0.28SS*.SBendtrans-83.9-27.9176-65.3-176-178.6-179.50.9113.6
73H71.3Confident74.6Confident108 Ų10852.8 Ų52.850%0.526%0.259SS..  trans-130.1120.5-178-65.5-59.7000109.3V71 D75 A76V71-H73 WeakPolarHBondContact CG1-O 3.44Å; H73-D75 VanDerWaalsContact C-N 3.27Å; H73-D75 PolarHBondContact O-N 2.79Å; H73-A76 HydrophobicContact CB-CB 4.23Å; H73-A76 WeakPolarHBondContact O-CB 2.87Å; H73-A76 PolarHBondContact O-N 3.18Å
74L69.1Low74.1Confident14 Ų1453.4 Ų53.47%0.07326%0.263CS..Hα-helixtrans-56.9-40.9-177.1-75.7148.6000112.2L57 V61 A76 C77 V683 A686 F687L57-L74 HydrophobicContact CB-CD2 4.07Å; V61-L74 HydrophobicContact CB-CD2 4.39Å; V61-L74 HydrophobicContact CG2-CD2 3.63Å; L74-A76 PolarHBondContact O-N 3.16Å; L74-C77 WeakPolarHBondContact O-CB 2.92Å; L74-C77 PolarHBondContact O-N 2.84Å; L74-C77 VanDerWaalsContact O-N 3.16Å; L74-V683 HydrophobicContact CD1-CG1 4.22Å; L74-V683 HydrophobicContact CD2-CG1 4.38Å; L74-A686 HydrophobicContact CD1-CB 3.77Å; L74-F687 HydrophobicContact CD1-CB 4.05Å
75D70.7Confident73.2Confident43 Ų4354.4 Ų54.423%0.2327%0.269CS..Hα-helixtrans-64.5-22.4179.9-51.8-11.5000112.6H73 C77 E78 T79H73-D75 VanDerWaalsContact C-N 3.27Å; H73-D75 PolarHBondContact O-N 2.79Å; D75-C77 VanDerWaalsContact C-N 3.28Å; D75-C77 PolarHBondContact O-N 3.33Å; D75-E78 PolarHBondContact O-N 3.04Å; D75-T79 WeakPolarHBondContact O-CB 3.49Å; D75-T79 PolarHBondContact O-N 2.98Å; D75-T79 PolarHBondContact O-OG1 3.18Å
76A73.5Confident72.1Confident25 Ų2555.3 Ų55.321%0.20727%0.273CS..Hα-helixtrans-66.4-32.617800000111.4H73 L74 M80 V313H73-A76 HydrophobicContact CB-CB 4.23Å; H73-A76 WeakPolarHBondContact O-CB 2.87Å; H73-A76 PolarHBondContact O-N 3.18Å; L74-A76 PolarHBondContact O-N 3.16Å; A76-M80 WeakPolarHBondContact O-CB 3.42Å; A76-M80 PolarHBondContact O-N 2.74Å; A76-V313 HydrophobicContact CB-CG1 4.45Å
77C73.2Confident70.9Confident2 Ų250 Ų501%0.01425%0.252CS..Hα-helixtrans-61.3-53.6176.2-66.60000111.2M64 V71 L74 D75 T79 M80 G81 G328M64-C77 HydrophobicContact CE-CB 3.97Å; M64-C77 VanDerWaalsContact CE-SG 3.5Å; M64-C77 VanDerWaalsContact SD-SG 3.64Å; V71-C77 WeakPolarHBondContact CG1-SG 3.26Å; V71-C77 WeakPolarHBondContact CG2-SG 3.44Å; L74-C77 WeakPolarHBondContact O-CB 2.92Å; L74-C77 PolarHBondContact O-N 2.84Å; L74-C77 VanDerWaalsContact O-N 3.16Å; D75-C77 VanDerWaalsContact C-N 3.28Å; D75-C77 PolarHBondContact O-N 3.33Å; C77-T79 VanDerWaalsContact C-N 3.34Å; C77-T79 PolarHBondContact O-N 3.23Å; C77-M80 PolarHBondContact O-N 3.43Å; C77-G81 PolarHBondContact O-N 3.1Å; C77-G328 WeakPolarHBondContact O-CA 3.41Å
78E77.3Confident70Confident46 Ų4650.3 Ų50.322%0.21527%0.266CS..Hα-helixtrans-58.9-48.2178.7-172.3-151.8163.900110.7D75 M80 G81 R694D75-E78 PolarHBondContact O-N 3.04Å; E78-M80 VanDerWaalsContact C-N 3.28Å; E78-M80 PolarHBondContact O-N 3.25Å; E78-G81 PolarHBondContact O-N 3.23Å; E78-G81 VanDerWaalsContact O-N 3.1Å; E78-R694 IonicContact OE2-NH2 3.48Å; E78-R694 PolarHBondContact OE2-NH2 3.44Å
79T79.3Confident69Low33 Ų3345.3 Ų45.320%0.20224%0.24CC..Hα-helixtrans-62.6-36.8-177.4-52.20000111.6D75 C77 G81 N82 A83 V294 D312 V313D75-T79 WeakPolarHBondContact O-CB 3.49Å; D75-T79 PolarHBondContact O-N 2.98Å; D75-T79 PolarHBondContact O-OG1 3.18Å; C77-T79 VanDerWaalsContact C-N 3.34Å; C77-T79 PolarHBondContact O-N 3.23Å; T79-G81 VanDerWaalsContact C-N 3.29Å; T79-G81 PolarHBondContact O-N 3.04Å; T79-N82 PolarHBondContact O-N 3.31Å; T79-N82 VanDerWaalsContact O-N 3.08Å; T79-A83 PolarHBondContact O-N 2.75Å; T79-V294 HydrophobicContact CG2-CG1 3.84Å; T79-D312 HydrophobicContact CG2-CB 3.86Å; T79-V313 HydrophobicContact CG2-CG2 3.59Å
80M77Confident67.9Low12 Ų1251.6 Ų51.66%0.05927%0.273CS..Hα-helixtrans-67.4-29.9178.3-160.4-177.4-39.300112.6A76 C77 E78 N82 A83 V313 L315 A324 V325A76-M80 WeakPolarHBondContact O-CB 3.42Å; A76-M80 PolarHBondContact O-N 2.74Å; C77-M80 PolarHBondContact O-N 3.43Å; E78-M80 VanDerWaalsContact C-N 3.28Å; E78-M80 PolarHBondContact O-N 3.25Å; M80-N82 PolarHBondContact O-N 2.69Å; M80-A83 VanDerWaalsContact O-CB 3.27Å; M80-A83 WeakPolarHBondContact O-CB 3.29Å; M80-A83 PolarHBondContact O-N 3.32Å; M80-A83 VanDerWaalsContact O-N 3.14Å; M80-V313 HydrophobicContact CB-CG1 4.3Å; M80-V313 HydrophobicContact CB-CG2 4.26Å; M80-V313 HydrophobicContact CE-CG1 3.75Å; M80-V313 HydrophobicContact CG-CG1 4.3Å; M80-L315 HydrophobicContact CE-CD2 3.62Å; M80-L315 HydrophobicContact SD-CD1 4.44Å; M80-L315 HydrophobicContact SD-CD2 4.02Å; M80-A324 HydrophobicContact CE-CB 3.76Å; M80-A324 HydrophobicContact SD-CB 3.15Å; M80-A324 WeakPolarHBondContact SD-CB 3.22Å; M80-V325 HydrophobicContact CG-CG2 4Å; M80-V325 HydrophobicContact SD-CG2 4.43Å
81G73.5Confident66.4Low0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-61.5-26.9172.300000113.4C77 E78 T79 G328 R329C77-G81 PolarHBondContact O-N 3.1Å; E78-G81 PolarHBondContact O-N 3.23Å; E78-G81 VanDerWaalsContact O-N 3.1Å; T79-G81 VanDerWaalsContact C-N 3.29Å; T79-G81 PolarHBondContact O-N 3.04Å; G81-G328 VanDerWaalsContact CA-C 3.48Å; G81-R329 WeakPolarHBondContact O-CG 3.48Å
82N76.3Confident64.6Low23 Ų2352.8 Ų52.812%0.12329%0.288CS..THydrogen-bonded Turntrans-96.21.4179.3-60.5-23.9000113.2T79 M80 T84 V294 Y400T79-N82 PolarHBondContact O-N 3.31Å; T79-N82 VanDerWaalsContact O-N 3.08Å; M80-N82 PolarHBondContact O-N 2.69Å; N82-T84 WeakPolarHBondContact O-CG2 3.47Å; N82-T84 PolarHBondContact O-N 3.25Å; N82-V294 HydrophobicContact CB-CG2 4.16Å; N82-V294 WeakPolarHBondContact O-CB 3.45Å; N82-V294 WeakPolarHBondContact O-CG2 3.47Å; N82-Y400 WeakPolarHBondContact OD1-CB 3.15Å
83A70.1Confident62.7Low7 Ų744.1 Ų44.16%0.05826%0.259CS..  trans-57.5121.4-18000000110.8T79 M80 A296 P399T79-A83 PolarHBondContact O-N 2.75Å; M80-A83 VanDerWaalsContact O-CB 3.27Å; M80-A83 WeakPolarHBondContact O-CB 3.29Å; M80-A83 PolarHBondContact O-N 3.32Å; M80-A83 VanDerWaalsContact O-N 3.14Å; A83-A296 HydrophobicContact CB-CB 4.11Å; A83-P399 WeakPolarHBondContact O-CB 3.48Å
84T71.6Confident60.9Low28 Ų2850.2 Ų50.217%0.17228%0.279CS..  trans-105.3-33.2179.659.10000111.7N82 E293 V294 P399N82-T84 WeakPolarHBondContact O-CG2 3.47Å; N82-T84 PolarHBondContact O-N 3.25Å; T84-E293 WeakPolarHBondContact CB-OE2 3.44Å; T84-E293 WeakPolarHBondContact OG1-CA 3.5Å; T84-E293 WeakPolarHBondContact OG1-CB 3.45Å; T84-E293 PolarHBondContact OG1-OE2 2.98Å; T84-V294 PolarHBondContact N-O 3.15Å; T84-V294 PolarHBondContact OG1-N 2.98Å; T84-V294 PolarHBondContact OG1-O 3.29Å; T84-P399 HydrophobicContact CG2-CB 4.1Å; T84-P399 HydrophobicContact CG2-CG 3.93Å
85T60.1Low59.2Low25 Ų2552.1 Ų52.115%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-121.1123.5176.9-58.50000109.5I283 V294 V295 A296T85-I283 HydrophobicContact CG2-CD1 4.35Å; T85-I283 HydrophobicContact CG2-CG2 4.41Å; T85-V294 PolarHBondContact N-O 3.19Å; T85-V295 WeakPolarHBondContact O-CA 3.44Å; T85-A296 PolarHBondContact O-N 2.9Å
86Q57.7Low57.2Low88 Ų8853.9 Ų53.941%0.41131%0.313SS..EExtended strand (participates in β ladder)trans-104.9121.9172.6-64.6-1743.200109.4A296 F657Q86-A296 WeakPolarHBondContact CA-O 3.48Å; Q86-F657 PolarHBondContact OE1-O 3.48Å
87C55.3Low55.3Low26 Ų2660 Ų6018%0.17634%0.336CS..EExtended strand (participates in β ladder)trans-104.1112.5174.6-66.70000108.4A296 E297 T298C87-A296 PolarHBondContact N-O 3.1Å; C87-E297 HydrophobicContact CB-CG 4.43Å; C87-E297 WeakPolarHBondContact O-CA 3.17Å; C87-T298 PolarHBondContact O-N 2.99Å
88A54.4Low53.4Low83 Ų8362.9 Ų62.969%0.68635%0.354SS*.EExtended strand (participates in β ladder)trans-93.8120.1174.500000110.9T298A88-T298 VanDerWaalsContact CA-OG1 3.31Å; A88-T298 WeakPolarHBondContact CA-OG1 3.33Å
89S49.6Very low51.5Low13 Ų1367.1 Ų67.19%0.09137%0.374CS..  trans-105.797.3175.9137.80000108.7N91 K276 T298S89-N91 PolarHBondContact O-N 3.39Å; S89-K276 PolarHBondContact OG-NZ 3.04Å; S89-T298 VanDerWaalsContact CB-O 3.26Å; S89-T298 WeakPolarHBondContact CB-O 3.49Å; S89-T298 PolarHBondContact N-O 3.37Å
90I46.8Very low49.6Very low151 Ų15169.6 Ų69.677%0.77438%0.384SS*.  trans-80.5110.6166.7-54.6174.2000106.4
91N41.9Very low47.8Very low59 Ų5970.3 Ų70.332%0.31640%0.395SS..  trans-99.7109.1173.7-164.69.5000108.2S89 S93 D300 N303S89-N91 PolarHBondContact O-N 3.39Å; N91-S93 PolarHBondContact O-N 2.94Å; N91-D300 WeakPolarHBondContact CB-OD1 3.48Å; N91-D300 WeakPolarHBondContact CB-OD2 3.18Å; N91-N303 PolarHBondContact ND2-ND2 3.12Å
92S36.4Very low46Very low114 Ų11480.8 Ų80.880%0.79744%0.44SS*.  trans-77.465.4167.757.90000108.9
93S32.9Very low44.2Very low26 Ų2683.4 Ų83.418%0.18247%0.473CS..  trans-75.2136.1170.11710000109.3N91 A95N91-S93 PolarHBondContact O-N 2.94Å; S93-A95 PolarHBondContact O-N 3.3Å; S93-A95 VanDerWaalsContact O-N 3.12Å
94Y31.6Very low42.8Very low237 Ų23787.2 Ų87.293%0.92951%0.513SS*.SBendtrans-748.9-175.147.2-93000114.6
95A33.8Very low41.6Very low54 Ų5490.2 Ų90.245%0.44653%0.525SS..  trans-110.8116-178.700000111.9S93S93-A95 PolarHBondContact O-N 3.3Å; S93-A95 VanDerWaalsContact O-N 3.12Å
96S29.1Very low40.7Very low79 Ų7996.2 Ų96.255%0.55255%0.553SS**  trans67151.3157.455.30000120
97H33.6Very low40.3Very low153 Ų15396 Ų9671%0.70855%0.554SS**  cis-162148.3-24.6-94.8-61.8000105.7
98V32.7Very low40Very low64 Ų6497.8 Ų97.839%0.38856%0.56SS.*BIsolated β-bridgetrans-130.3138.9167.5-175.30000107.9I107 E108 Q109V98-I107 WeakPolarHBondContact CG1-O 3.31Å; V98-E108 CarbonylContact O-C 3.23Å; V98-E108 VanDerWaalsContact O-CA 3.26Å; V98-E108 WeakPolarHBondContact O-CA 3.34Å; V98-Q109 HydrophobicContact CB-CB 4.42Å; V98-Q109 PolarHBondContact O-N 2.76Å
99Q38.5Very low40Very low134 Ų13496.4 Ų96.463%0.62654%0.539SS*.  trans-138.6118.8-167.6-93.5-143-36.800110.2E108Q99-E108 VanDerWaalsContact C-CA 3.47Å; Q99-E108 VanDerWaalsContact CA-CB 3.48Å; Q99-E108 WeakPolarHBondContact CA-OE1 3.34Å; Q99-E108 HydrophobicContact CB-CB 4.48Å; Q99-E108 HydrophobicContact CB-CG 4.2Å; Q99-E108 WeakPolarHBondContact CB-OE1 3.26Å; Q99-E108 VanDerWaalsContact CD-CD 3.4Å; Q99-E108 VanDerWaalsContact CD-OE1 3.31Å; Q99-E108 HydrophobicContact CG-CB 4.46Å; Q99-E108 HydrophobicContact CG-CG 4.25Å; Q99-E108 WeakPolarHBondContact CG-OE1 3.43Å; Q99-E108 WeakPolarHBondContact CG-OE2 3.44Å; Q99-E108 PolarHBondContact NE2-OE2 3.14Å
100M39.3Very low39.8Very low85 Ų85102.6 Ų102.642%0.41957%0.57SS.*  trans-64112.1170.5-75.9-69.5-167.600109.4M106 I107 E108M100-M106 WeakPolarHBondContact CA-O 3.17Å; M100-M106 PolarHBondContact N-O 2.98Å; M100-M106 VanDerWaalsContact SD-O 3.39Å; M100-I107 VanDerWaalsContact CE-CA 3.46Å; M100-I107 HydrophobicContact CE-CB 3.67Å; M100-I107 HydrophobicContact CE-CD1 4.41Å; M100-I107 HydrophobicContact CE-CG1 3.11Å; M100-I107 HydrophobicContact CE-CG2 4.02Å; M100-I107 VanDerWaalsContact CG-CA 3.42Å; M100-I107 HydrophobicContact CG-CB 4.44Å; M100-I107 WeakPolarHBondContact SD-CA 3.4Å; M100-I107 HydrophobicContact SD-CB 4.12Å; M100-I107 HydrophobicContact SD-CG1 4.03Å; M100-I107 PolarHBondContact SD-N 3.42Å; M100-E108 HydrophobicContact CB-CB 4.05Å; M100-E108 HydrophobicContact CB-CG 3.6Å; M100-E108 HydrophobicContact CG-CB 4.33Å; M100-E108 HydrophobicContact CG-CG 4.33Å; M100-E108 VanDerWaalsContact N-CD 3.26Å; M100-E108 PolarHBondContact N-OE1 3.1Å
101G39.4Very low40.1Very low28 Ų2898 Ų9829%0.28956%0.561SS.*  trans-65.1140.2152.700000111.8G103G101-G103 PolarHBondContact O-N 3.39Å
102K35.8Very low41.1Very low219 Ų21998.5 Ų98.595%0.95256%0.563SS**THydrogen-bonded Turntrans-64.8111.5166.5-79.5-179.5175.2177.20109.3
103G37.6Very low42.1Very low79 Ų7998.9 Ų98.981%0.81455%0.55SS**THydrogen-bonded Turntrans145.217.1169.400000118.1G101G101-G103 PolarHBondContact O-N 3.39Å
104G41.5Very low43.4Very low87 Ų8799.8 Ų99.890%0.89756%0.555SS**THydrogen-bonded Turntrans97.512.3-177.600000114.6
105E45Very low44.8Very low91 Ų9191.7 Ų91.743%0.42553%0.526SS..  trans-89.1163172.1-65.3-176.5135.300111.8
106M42.9Very low46.3Very low151 Ų15190 Ų9074%0.74451%0.51SS*.  trans-57.1145.9-169.4-77.4-176.7-82.300117.1M100 E108M100-M106 WeakPolarHBondContact CA-O 3.17Å; M100-M106 PolarHBondContact N-O 2.98Å; M100-M106 VanDerWaalsContact SD-O 3.39Å; M106-E108 PolarHBondContact O-N 3.44Å
107I49.3Very low47.9Very low83 Ų8388.1 Ų88.143%0.42650%0.5SS..  trans-47.9115.7-178.5-54.6156.8000115.9V98 M100 Q109V98-I107 WeakPolarHBondContact CG1-O 3.31Å; M100-I107 VanDerWaalsContact CE-CA 3.46Å; M100-I107 HydrophobicContact CE-CB 3.67Å; M100-I107 HydrophobicContact CE-CD1 4.41Å; M100-I107 HydrophobicContact CE-CG1 3.11Å; M100-I107 HydrophobicContact CE-CG2 4.02Å; M100-I107 VanDerWaalsContact CG-CA 3.42Å; M100-I107 HydrophobicContact CG-CB 4.44Å; M100-I107 WeakPolarHBondContact SD-CA 3.4Å; M100-I107 HydrophobicContact SD-CB 4.12Å; M100-I107 HydrophobicContact SD-CG1 4.03Å; M100-I107 PolarHBondContact SD-N 3.42Å; I107-Q109 HydrophobicContact CG2-CG 4.45Å; I107-Q109 PolarHBondContact O-N 3.28Å
108E48.8Very low49.3Very low63 Ų6382.5 Ų82.529%0.29448%0.475SS..  trans-55.2118.1159.2-56.2-92.2111.600106.6V98 Q99 M100 M106V98-E108 CarbonylContact O-C 3.23Å; V98-E108 VanDerWaalsContact O-CA 3.26Å; V98-E108 WeakPolarHBondContact O-CA 3.34Å; Q99-E108 VanDerWaalsContact C-CA 3.47Å; Q99-E108 VanDerWaalsContact CA-CB 3.48Å; Q99-E108 WeakPolarHBondContact CA-OE1 3.34Å; Q99-E108 HydrophobicContact CB-CB 4.48Å; Q99-E108 HydrophobicContact CB-CG 4.2Å; Q99-E108 WeakPolarHBondContact CB-OE1 3.26Å; Q99-E108 VanDerWaalsContact CD-CD 3.4Å; Q99-E108 VanDerWaalsContact CD-OE1 3.31Å; Q99-E108 HydrophobicContact CG-CB 4.46Å; Q99-E108 HydrophobicContact CG-CG 4.25Å; Q99-E108 WeakPolarHBondContact CG-OE1 3.43Å; Q99-E108 WeakPolarHBondContact CG-OE2 3.44Å; Q99-E108 PolarHBondContact NE2-OE2 3.14Å; M100-E108 HydrophobicContact CB-CB 4.05Å; M100-E108 HydrophobicContact CB-CG 3.6Å; M100-E108 HydrophobicContact CG-CB 4.33Å; M100-E108 HydrophobicContact CG-CG 4.33Å; M100-E108 VanDerWaalsContact N-CD 3.26Å; M100-E108 PolarHBondContact N-OE1 3.1Å; M106-E108 PolarHBondContact O-N 3.44Å
109Q52.8Low50.9Low55 Ų5581.6 Ų81.626%0.25747%0.468SS..BIsolated β-bridgetrans-101.799.8170.6-65.7-169.30.500108.3V98 I107 C116V98-Q109 HydrophobicContact CB-CB 4.42Å; V98-Q109 PolarHBondContact O-N 2.76Å; I107-Q109 HydrophobicContact CG2-CG 4.45Å; I107-Q109 PolarHBondContact O-N 3.28Å; Q109-C116 HydrophobicContact CB-CB 3.84Å; Q109-C116 VanDerWaalsContact CD-CB 3.49Å; Q109-C116 HydrophobicContact CG-CB 3.64Å
110L46.7Very low52.3Low142 Ų14276.5 Ų76.574%0.74345%0.451SS*.  trans-91.991.6168.6-78.6157.6000108.5
111G53Low53.7Low55 Ų5577.6 Ų77.657%0.56745%0.453SS*.SBendtrans142.9-165.2178.700000113.2
112N61.8Low54.9Low69 Ų6978.4 Ų78.437%0.36945%0.453SS..  trans-68.7134.8176.2-166.7-40.1000110.2T114 E115 C116 K172N112-T114 PolarHBondContact O-N 3.09Å; N112-T114 PolarHBondContact OD1-N 3.04Å; N112-T114 PolarHBondContact OD1-OG1 3.2Å; N112-E115 HydrophobicContact CB-CB 4.18Å; N112-E115 VanDerWaalsContact CB-CD 3.48Å; N112-E115 HydrophobicContact CB-CG 4.11Å; N112-E115 WeakPolarHBondContact CB-OE1 3.36Å; N112-E115 WeakPolarHBondContact O-CA 3.4Å; N112-E115 WeakPolarHBondContact O-CB 3.15Å; N112-E115 PolarHBondContact O-N 3.24Å; N112-C116 PolarHBondContact O-N 3.35Å; N112-C116 PolarHBondContact O-SG 2.98Å; N112-C116 VanDerWaalsContact O-SG 3.33Å; N112-K172 PolarHBondContact ND2-NZ 2.89Å
113K57.4Low56.5Low122 Ų12273 Ų7353%0.5343%0.431SS..Hα-helixtrans-53-38.9178.9-66-178.6-179.4178.20112.6C116 A117K113-C116 PolarHBondContact O-N 3.41Å; K113-A117 VanDerWaalsContact O-CB 3.29Å; K113-A117 WeakPolarHBondContact O-CB 3.01Å; K113-A117 PolarHBondContact O-N 3.11Å
114T61.7Low58Low46 Ų4673.6 Ų73.628%0.28242%0.422SS..Hα-helixtrans-64.4-40.9177-43.60000111.7N112 L118 I231N112-T114 PolarHBondContact O-N 3.09Å; N112-T114 PolarHBondContact OD1-N 3.04Å; N112-T114 PolarHBondContact OD1-OG1 3.2Å; T114-L118 WeakPolarHBondContact O-CG 3.3Å; T114-L118 PolarHBondContact O-N 3.29Å; T114-L118 VanDerWaalsContact O-N 3.07Å; T114-I231 HydrophobicContact CG2-CD1 3.26Å
115E60.9Low59.5Low67 Ų6774.7 Ų74.731%0.31341%0.407SS..Hα-helixtrans-72.4-39.3177.8-72.2152.4-144.800110.9N112 A117 L118 L119 K172N112-E115 HydrophobicContact CB-CB 4.18Å; N112-E115 VanDerWaalsContact CB-CD 3.48Å; N112-E115 HydrophobicContact CB-CG 4.11Å; N112-E115 WeakPolarHBondContact CB-OE1 3.36Å; N112-E115 WeakPolarHBondContact O-CA 3.4Å; N112-E115 WeakPolarHBondContact O-CB 3.15Å; N112-E115 PolarHBondContact O-N 3.24Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 2.86Å; E115-L118 PolarHBondContact O-N 2.98Å; E115-L119 VanDerWaalsContact O-CG 3.32Å; E115-L119 WeakPolarHBondContact O-CG 3.37Å; E115-L119 PolarHBondContact O-N 3.19Å; E115-K172 IonicContact OE1-NZ 3.23Å; E115-K172 PolarHBondContact OE1-NZ 2.82Å
116C64.2Low61Low17 Ų1773.6 Ų73.612%0.11542%0.42CS..Hα-helixtrans-66.2-36.3174.9-63.20000111.8Q109 N112 K113 L119 G120Q109-C116 HydrophobicContact CB-CB 3.84Å; Q109-C116 VanDerWaalsContact CD-CB 3.49Å; Q109-C116 HydrophobicContact CG-CB 3.64Å; N112-C116 PolarHBondContact O-N 3.35Å; N112-C116 PolarHBondContact O-SG 2.98Å; N112-C116 VanDerWaalsContact O-SG 3.33Å; K113-C116 PolarHBondContact O-N 3.41Å; C116-L119 PolarHBondContact O-N 3.17Å; C116-G120 PolarHBondContact O-N 3.03Å
117A62.8Low62.3Low40 Ų4072.3 Ų72.333%0.33141%0.412SS..Hα-helixtrans-63.7-42.6172.100000111.5K113 E115 G120 F121 I231K113-A117 VanDerWaalsContact O-CB 3.29Å; K113-A117 WeakPolarHBondContact O-CB 3.01Å; K113-A117 PolarHBondContact O-N 3.11Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 2.86Å; A117-G120 PolarHBondContact O-N 2.95Å; A117-F121 WeakPolarHBondContact O-CB 3.38Å; A117-F121 PolarHBondContact O-N 3.31Å; A117-I231 HydrophobicContact CB-CG2 4.3Å
118L62.4Low63.2Low36 Ų3670.1 Ų70.119%0.18840%0.404CS..Hα-helixtrans-64.2-43174.5-74.1166.6000112.2T114 E115 F121 V122 V229 I231 A618T114-L118 WeakPolarHBondContact O-CG 3.3Å; T114-L118 PolarHBondContact O-N 3.29Å; T114-L118 VanDerWaalsContact O-N 3.07Å; E115-L118 PolarHBondContact O-N 2.98Å; L118-F121 WeakPolarHBondContact O-CB 3.45Å; L118-F121 PolarHBondContact O-N 3.09Å; L118-V122 WeakPolarHBondContact O-CG2 3.34Å; L118-V122 PolarHBondContact O-N 3.35Å; L118-V229 HydrophobicContact CD2-CB 4.2Å; L118-V229 HydrophobicContact CD2-CG1 3.85Å; L118-V229 HydrophobicContact CD2-CG2 4.2Å; L118-I231 HydrophobicContact CG-CD1 4.25Å; L118-A618 HydrophobicContact CD1-CB 4.36Å
119L66.7Low64.2Low45 Ų4569.7 Ų69.724%0.23640%0.4CS..Hα-helixtrans-65.8-42176.5-69.3173.3000111.8E115 C116 F121 V122 Q123 Y129E115-L119 VanDerWaalsContact O-CG 3.32Å; E115-L119 WeakPolarHBondContact O-CG 3.37Å; E115-L119 PolarHBondContact O-N 3.19Å; C116-L119 PolarHBondContact O-N 3.17Å; L119-F121 PolarHBondContact O-N 3.19Å; L119-V122 PolarHBondContact O-N 3.48Å; L119-Q123 PolarHBondContact O-N 3.05Å; L119-Y129 HydrophobicContact CB-CD1 4.31Å; L119-Y129 HydrophobicContact CB-CE1 4.24Å; L119-Y129 HydrophobicContact CD2-CD1 4.04Å; L119-Y129 HydrophobicContact CD2-CD2 3.98Å; L119-Y129 HydrophobicContact CD2-CG 3.75Å
120G68.8Low65.1Low27 Ų2772.1 Ų72.128%0.27841%0.412SS..Hα-helixtrans-61.6-33.6172.800000112.5C116 A117 S124C116-G120 PolarHBondContact O-N 3.03Å; A117-G120 PolarHBondContact O-N 2.95Å; G120-S124 WeakPolarHBondContact O-CB 3.45Å; G120-S124 PolarHBondContact O-N 3.34Å; G120-S124 PolarHBondContact O-OG 2.84Å
121F67.8Low66.4Low107 Ų10771.9 Ų71.947%0.46941%0.405SS..Hα-helixtrans-69.1-41.7172.6-177.4-111.2000112.6A117 L118 L119 Q123 S124 L125A117-F121 WeakPolarHBondContact O-CB 3.38Å; A117-F121 PolarHBondContact O-N 3.31Å; L118-F121 WeakPolarHBondContact O-CB 3.45Å; L118-F121 PolarHBondContact O-N 3.09Å; L119-F121 PolarHBondContact O-N 3.19Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 3.11Å; F121-S124 WeakPolarHBondContact CA-OG 3.45Å; F121-S124 PolarHBondContact O-N 2.98Å; F121-S124 PolarHBondContact O-OG 3.41Å; F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.62Å; F121-L125 HydrophobicContact CE1-CG 4.29Å; F121-L125 HydrophobicContact CE2-CG 4.49Å; F121-L125 HydrophobicContact CZ-CD1 3.95Å; F121-L125 HydrophobicContact CZ-CD2 4.27Å; F121-L125 HydrophobicContact CZ-CG 4.22Å; F121-L125 WeakPolarHBondContact O-CG 3.46Å; F121-L125 PolarHBondContact O-N 3.1Å
122V65.2Low67.1Low46 Ų4673.7 Ų73.728%0.27940%0.401SS..Hα-helixtrans-62.3-42.4174.6173.60000111.1L118 L119 S124 L125 Q127L118-V122 WeakPolarHBondContact O-CG2 3.34Å; L118-V122 PolarHBondContact O-N 3.35Å; L119-V122 PolarHBondContact O-N 3.48Å; V122-S124 VanDerWaalsContact C-N 3.33Å; V122-S124 PolarHBondContact O-N 2.99Å; V122-L125 WeakPolarHBondContact O-CB 3.24Å; V122-L125 PolarHBondContact O-N 2.85Å; V122-Q127 CarbonylContact C-O 3.6Å; V122-Q127 HydrophobicContact CG1-CB 3.95Å; V122-Q127 PolarHBondContact O-N 3.45Å
123Q68.5Low67.4Low105 Ų10577.8 Ų77.849%0.49141%0.411SS..Hα-helixtrans-65.4-36.4177.2-166.3173.18.700112L119 F121 L125 G126L119-Q123 PolarHBondContact O-N 3.05Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 3.11Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-G126 PolarHBondContact O-N 2.83Å; Q123-G126 VanDerWaalsContact O-N 3.16Å
124S69.5Low68.2Low91 Ų9179.1 Ų79.164%0.63642%0.419SS*.Hα-helixtrans-72.6-22.7175.773.10000113.8G120 F121 V122 G126G120-S124 WeakPolarHBondContact O-CB 3.45Å; G120-S124 PolarHBondContact O-N 3.34Å; G120-S124 PolarHBondContact O-OG 2.84Å; F121-S124 WeakPolarHBondContact CA-OG 3.45Å; F121-S124 PolarHBondContact O-N 2.98Å; F121-S124 PolarHBondContact O-OG 3.41Å; V122-S124 VanDerWaalsContact C-N 3.33Å; V122-S124 PolarHBondContact O-N 2.99Å; S124-G126 PolarHBondContact O-N 3.13Å
125L74.4Confident68.6Low111 Ų11182.5 Ų82.558%0.58143%0.432SS*.THydrogen-bonded Turntrans-74.8-0.2168.7-69.9173.7000113.7F121 V122 Q123 Q127F121-L125 HydrophobicContact CD1-CD1 4.05Å; F121-L125 HydrophobicContact CE1-CD1 3.62Å; F121-L125 HydrophobicContact CE1-CG 4.29Å; F121-L125 HydrophobicContact CE2-CG 4.49Å; F121-L125 HydrophobicContact CZ-CD1 3.95Å; F121-L125 HydrophobicContact CZ-CD2 4.27Å; F121-L125 HydrophobicContact CZ-CG 4.22Å; F121-L125 WeakPolarHBondContact O-CG 3.46Å; F121-L125 PolarHBondContact O-N 3.1Å; V122-L125 WeakPolarHBondContact O-CB 3.24Å; V122-L125 PolarHBondContact O-N 2.85Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; L125-Q127 VanDerWaalsContact C-N 3.33Å
126G74.9Confident68.9Low67 Ų6781.8 Ų81.869%0.69143%0.432SS*.THydrogen-bonded Turntrans79.312.2-18000000114.4Q123 S124Q123-G126 PolarHBondContact O-N 2.83Å; Q123-G126 VanDerWaalsContact O-N 3.16Å; S124-G126 PolarHBondContact O-N 3.13Å
127Q70Confident69.2Low124 Ų12483.1 Ų83.158%0.57944%0.441SS*.  trans-100134.9174.9-66.6-66.5-22.100109.9V122 L125V122-Q127 CarbonylContact C-O 3.6Å; V122-Q127 HydrophobicContact CG1-CB 3.95Å; V122-Q127 PolarHBondContact O-N 3.45Å; L125-Q127 VanDerWaalsContact C-N 3.33Å
128S70Confident69.4Low37 Ų3789.5 Ų89.526%0.25946%0.464SS..  trans-88.5112172.4168.60000108.9E130 K131S128-E130 PolarHBondContact O-N 3.39Å; S128-E130 PolarHBondContact OG-N 3.37Å; S128-E130 PolarHBondContact OG-OE2 2.92Å; S128-K131 PolarHBondContact O-N 2.85Å; S128-K131 PolarHBondContact OG-N 2.75Å
129Y69.2Low69.8Low54 Ų5494.4 Ų94.421%0.21249%0.49CS..Hα-helixtrans-66.2-20.7173.562.4-99.7000112.2L119 L132 R133L119-Y129 HydrophobicContact CB-CD1 4.31Å; L119-Y129 HydrophobicContact CB-CE1 4.24Å; L119-Y129 HydrophobicContact CD2-CD1 4.04Å; L119-Y129 HydrophobicContact CD2-CD2 3.98Å; L119-Y129 HydrophobicContact CD2-CG 3.75Å; Y129-L132 PolarHBondContact O-N 2.88Å; Y129-R133 WeakPolarHBondContact O-CG 3.42Å; Y129-R133 PolarHBondContact O-N 3.48Å; Y129-R133 VanDerWaalsContact O-N 3.08Å
130E70.9Confident69.9Low106 Ų10697 Ų9750%0.49550%0.497SS..Hα-helixtrans-66-46.4177.1-63.4152.6160.300110.3S128 L132 R133 E134S128-E130 PolarHBondContact O-N 3.39Å; S128-E130 PolarHBondContact OG-N 3.37Å; S128-E130 PolarHBondContact OG-OE2 2.92Å; E130-L132 VanDerWaalsContact C-N 3.31Å; E130-L132 PolarHBondContact O-N 3.24Å; E130-R133 PolarHBondContact O-N 3.42Å; E130-R133 VanDerWaalsContact O-N 3.13Å; E130-E134 WeakPolarHBondContact O-CG 3.4Å; E130-E134 PolarHBondContact O-N 3.43Å
131K74.4Confident70Confident137 Ų13798.3 Ų98.360%0.59650%0.497SS*.Hα-helixtrans-58.8-41.3174.3-68-175.2179.8-177.80112.5S128 R133 E134 E135S128-K131 PolarHBondContact O-N 2.85Å; S128-K131 PolarHBondContact OG-N 2.75Å; K131-R133 VanDerWaalsContact C-N 3.32Å; K131-R133 PolarHBondContact O-N 3.3Å; K131-E134 PolarHBondContact O-N 3.3Å; K131-E135 WeakPolarHBondContact O-CG 3.13Å; K131-E135 PolarHBondContact O-N 3.28Å
132L67.4Low70.1Confident93 Ų9395.9 Ų95.949%0.48749%0.491SS..Hα-helixtrans-63.3-37.1177.1-83.3157.8000112.4Y129 E130 T136Y129-L132 PolarHBondContact O-N 2.88Å; E130-L132 VanDerWaalsContact C-N 3.31Å; E130-L132 PolarHBondContact O-N 3.24Å; L132-T136 PolarHBondContact O-N 3.41Å
133R68.6Low70.5Confident156 Ų15697.6 Ų97.659%0.58950%0.495SS*.Hα-helixtrans-74.2-31.3175.1-72.2-179.2179.1-176.8-0.6112.6Y129 E130 K131 T136Y129-R133 WeakPolarHBondContact O-CG 3.42Å; Y129-R133 PolarHBondContact O-N 3.48Å; Y129-R133 VanDerWaalsContact O-N 3.08Å; E130-R133 PolarHBondContact O-N 3.42Å; E130-R133 VanDerWaalsContact O-N 3.13Å; K131-R133 VanDerWaalsContact C-N 3.32Å; K131-R133 PolarHBondContact O-N 3.3Å; R133-T136 CarbonylContact O-C 3.6Å; R133-T136 PolarHBondContact O-N 3.17Å; R133-T136 VanDerWaalsContact O-O 3.09Å
134E73.9Confident70.7Confident149 Ų14995.9 Ų95.970%0.69649%0.491SS*.Hα-helixtrans-67.5-37.1171.8-71.9172.9-177.400112.1E130 K131 T136E130-E134 WeakPolarHBondContact O-CG 3.4Å; E130-E134 PolarHBondContact O-N 3.43Å; K131-E134 PolarHBondContact O-N 3.3Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-T136 PolarHBondContact O-N 3.21Å
135E71Confident70.8Confident117 Ų11792.2 Ų92.255%0.54746%0.464SS..Hα-helixtrans-69.4-30.1177.3-74.4176.7-172.600113.3K131 R140 R161K131-E135 WeakPolarHBondContact O-CG 3.13Å; K131-E135 PolarHBondContact O-N 3.28Å; E135-R140 PolarHBondContact O-NH1 3.45Å; E135-R140 VanDerWaalsContact O-NH1 3.13Å; E135-R161 PolarHBondContact O-NH2 2.74Å; E135-R161 VanDerWaalsContact O-NH2 3.09Å
136T66.8Low70.8Confident52 Ų5291.3 Ų91.332%0.31946%0.463SS..SBendtrans-129.276.4-179.5-43.80000110.4L132 R133 E134 R140 I158L132-T136 PolarHBondContact O-N 3.41Å; R133-T136 CarbonylContact O-C 3.6Å; R133-T136 PolarHBondContact O-N 3.17Å; R133-T136 VanDerWaalsContact O-O 3.09Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-T136 PolarHBondContact O-N 3.21Å; T136-R140 HydrophobicContact CG2-CB 4.31Å; T136-I158 HydrophobicContact CG2-CG2 3.65Å
137P69.7Low70.5Confident46 Ų4692.9 Ų92.930%0.29945%0.451SS..  trans-66.8161179.328.3-35.3000112.1D139 R140P137-D139 VanDerWaalsContact C-OD1 3.31Å; P137-D139 WeakPolarHBondContact CB-OD1 3.17Å; P137-D139 WeakPolarHBondContact CG-OD1 3.09Å; P137-D139 PolarHBondContact O-N 2.97Å; P137-D139 VanDerWaalsContact O-N 3.14Å; P137-R140 HydrophobicContact CG-CG 4.47Å; P137-R140 WeakPolarHBondContact O-CB 3.2Å; P137-R140 PolarHBondContact O-N 3.28Å
138E68.2Low70.4Confident174 Ų17490 Ų9081%0.81344%0.439SS*.G310 helixtrans-59.1-27.4-171.2-66.5-176.4174.600113.8R140 L141E138-R140 PolarHBondContact O-N 3.09Å; E138-L141 HydrophobicContact CB-CD1 4.47Å; E138-L141 WeakPolarHBondContact O-CB 3.48Å; E138-L141 WeakPolarHBondContact O-CG 3.49Å; E138-L141 PolarHBondContact O-N 2.85Å
139D70.3Confident70.2Confident138 Ų13892.8 Ų92.874%0.73846%0.458SS*.G310 helixtrans-67.2-18.4175.261-42.8000113.7P137P137-D139 VanDerWaalsContact C-OD1 3.31Å; P137-D139 WeakPolarHBondContact CB-OD1 3.17Å; P137-D139 WeakPolarHBondContact CG-OD1 3.09Å; P137-D139 PolarHBondContact O-N 2.97Å; P137-D139 VanDerWaalsContact O-N 3.14Å
140R68.8Low70Confident100 Ų10095.8 Ų95.838%0.37748%0.482SS..G310 helixtrans-87.4-4.7173-75.4-166.7165.2148.5-0.6114.5E135 T136 P137 E138 V142 R161E135-R140 PolarHBondContact O-NH1 3.45Å; E135-R140 VanDerWaalsContact O-NH1 3.13Å; T136-R140 HydrophobicContact CG2-CB 4.31Å; P137-R140 HydrophobicContact CG-CG 4.47Å; P137-R140 WeakPolarHBondContact O-CB 3.2Å; P137-R140 PolarHBondContact O-N 3.28Å; E138-R140 PolarHBondContact O-N 3.09Å; R140-V142 PolarHBondContact O-N 3.13Å; R140-R161 VanDerWaalsContact NH1-NE 3.19Å
141L69.7Low69.6Low54 Ų5493 Ų9328%0.28347%0.467SS..EExtended strand (participates in β ladder)trans-77.6115.1178-56.5178.5000108.8E138 V144 T156 I158E138-L141 HydrophobicContact CB-CD1 4.47Å; E138-L141 WeakPolarHBondContact O-CB 3.48Å; E138-L141 WeakPolarHBondContact O-CG 3.49Å; E138-L141 PolarHBondContact O-N 2.85Å; L141-V144 HydrophobicContact CB-CG2 4.28Å; L141-V144 HydrophobicContact CD1-CG2 3.91Å; L141-T156 HydrophobicContact CD1-CG2 4.45Å; L141-T156 HydrophobicContact CD2-CG2 3.85Å; L141-I158 HydrophobicContact CD2-CD1 4.3Å; L141-I158 HydrophobicContact CD2-CG1 3.82Å
142V70.3Confident69.2Low57 Ų5789.6 Ų89.635%0.34545%0.452SS..EExtended strand (participates in β ladder)trans-64.9-43.4179.7179.70000110.2R140 V157 E159 W213R140-V142 PolarHBondContact O-N 3.13Å; V142-V157 HydrophobicContact CB-CB 4.18Å; V142-V157 HydrophobicContact CB-CG1 3.95Å; V142-V157 HydrophobicContact CG1-CG1 4.35Å; V142-V157 HydrophobicContact CG2-CG1 4.47Å; V142-V157 PolarHBondContact N-O 3.12Å; V142-E159 HydrophobicContact CG2-CB 3.82Å; V142-W213 HydrophobicContact CG1-CD2 4.26Å; V142-W213 HydrophobicContact CG1-CG 4.18Å
143K73.4Confident69.1Low81 Ų8185.5 Ų85.535%0.35243%0.432SS..EExtended strand (participates in β ladder)trans-160.5138.4178.8-165.472.2170.9-163.80111.5Y145 V157K143-Y145 HydrophobicContact CB-CE2 4.49Å; K143-Y145 HydrophobicContact CG-CE1 4.47Å; K143-Y145 HydrophobicContact CG-CE2 4.09Å; K143-V157 HydrophobicContact CB-CB 4.28Å; K143-V157 HydrophobicContact CB-CG2 4.15Å; K143-V157 PolarHBondContact O-N 3.03Å
144V73.1Confident68.9Low69 Ų6980.3 Ų80.342%0.41842%0.415SS..EExtended strand (participates in β ladder)trans-114.1116.5170.9-177.20000109.1L141 T156L141-V144 HydrophobicContact CB-CG2 4.28Å; L141-V144 HydrophobicContact CD1-CG2 3.91Å; V144-T156 HydrophobicContact CG2-CG2 4.06Å
145Y71.2Confident68.6Low15 Ų1573.2 Ų73.26%0.05938%0.381CS..EExtended strand (participates in β ladder)trans-88.7109.4168.3-59-87.8000108.3K143 M154 S155 V157 W213 E216 V219K143-Y145 HydrophobicContact CB-CE2 4.49Å; K143-Y145 HydrophobicContact CG-CE1 4.47Å; K143-Y145 HydrophobicContact CG-CE2 4.09Å; Y145-M154 WeakPolarHBondContact O-CA 3.5Å; Y145-M154 VanDerWaalsContact O-CG 3.27Å; Y145-M154 WeakPolarHBondContact O-CG 3.27Å; Y145-S155 WeakPolarHBondContact CA-O 3.29Å; Y145-S155 PolarHBondContact N-O 3.36Å; Y145-S155 PolarHBondContact O-N 3.27Å; Y145-S155 VanDerWaalsContact O-O 3.07Å; Y145-V157 HydrophobicContact CD2-CG2 4.49Å; Y145-V157 HydrophobicContact CE2-CG2 3.95Å; Y145-W213 PolarHBondContact OH-O 3.01Å; Y145-E216 HydrophobicContact CD1-CG 4.08Å; Y145-E216 HydrophobicContact CE1-CB 4.08Å; Y145-E216 HydrophobicContact CE1-CG 3.89Å; Y145-V219 HydrophobicContact CE2-CG1 4.06Å
146T76.1Confident68.5Low92 Ų9268.9 Ų68.956%0.56436%0.363SS*.EExtended strand (participates in β ladder)trans-61.9-178.3-177.853.20000112.6R151T146-R151 VanDerWaalsContact C-NH2 3.29Å; T146-R151 PolarHBondContact O-NE 3.27Å; T146-R151 VanDerWaalsContact O-NE 3.07Å; T146-R151 PolarHBondContact O-NH2 3.29Å; T146-R151 PolarHBondContact OG1-NH2 3.29Å
147F68.1Low68.5Low100 Ų10066.4 Ų66.444%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-75.4130168.2-176.3-95000110.3K152 S153 M154F147-K152 VanDerWaalsContact CE2-C 3.45Å; F147-K152 HydrophobicContact CZ-CB 4.48Å; F147-S153 WeakPolarHBondContact CA-O 3.32Å; F147-M154 HydrophobicContact CB-CE 4.11Å
148N68.3Low68.3Low64 Ų6466.2 Ų66.234%0.34234%0.344SS..EExtended strand (participates in β ladder)trans-121.7134.6170.7162.5-4.9000109.8V150 R151 K152N148-V150 PolarHBondContact O-N 2.99Å; N148-V150 WeakPolarHBondContact OD1-CB 3.48Å; N148-V150 PolarHBondContact OD1-N 2.8Å; N148-R151 HydrophobicContact CB-CG 3.69Å; N148-R151 WeakPolarHBondContact O-CG 3.43Å; N148-R151 PolarHBondContact O-N 3.47Å; N148-K152 WeakPolarHBondContact O-CA 3.45Å; N148-K152 PolarHBondContact O-N 2.9Å
149S65.5Low68.1Low94 Ų9463.3 Ų63.366%0.65733%0.331SS*.THydrogen-bonded Turntrans-62.2-25.7-17454.80000114K152S149-K152 WeakPolarHBondContact O-CG 3.35Å
150V64.2Low67.7Low118 Ų11860.3 Ų60.372%0.71531%0.311SS*.THydrogen-bonded Turntrans-77.7-47.1176-176.20000110.8N148N148-V150 PolarHBondContact O-N 2.99Å; N148-V150 WeakPolarHBondContact OD1-CB 3.48Å; N148-V150 PolarHBondContact OD1-N 2.8Å
151R61.7Low67Low46 Ų4664.1 Ų64.117%0.17433%0.325CS..THydrogen-bonded Turntrans-77.1-25.6179.966178.4170.4-129.8-15.5113.7T146 N148 S153 E216T146-R151 VanDerWaalsContact C-NH2 3.29Å; T146-R151 PolarHBondContact O-NE 3.27Å; T146-R151 VanDerWaalsContact O-NE 3.07Å; T146-R151 PolarHBondContact O-NH2 3.29Å; T146-R151 PolarHBondContact OG1-NH2 3.29Å; N148-R151 HydrophobicContact CB-CG 3.69Å; N148-R151 WeakPolarHBondContact O-CG 3.43Å; N148-R151 PolarHBondContact O-N 3.47Å; R151-S153 WeakPolarHBondContact CD-O 3.4Å; R151-S153 PolarHBondContact NE-O 3.44Å; R151-S153 PolarHBondContact O-N 3.16Å; R151-S153 VanDerWaalsContact O-N 3.16Å; R151-E216 IonicContact CZ-OE1 2.79Å; R151-E216 IonicContact NE-OE1 3.8Å; R151-E216 IonicContact NH1-OE1 2.64Å; R151-E216 PolarHBondContact NH1-OE1 3.49Å; R151-E216 IonicContact NH1-OE2 3.17Å; R151-E216 PolarHBondContact NH1-OE2 3.36Å
152K66.5Low66Low66 Ų6666.4 Ų66.429%0.28734%0.341SS..THydrogen-bonded Turntrans51.331.7-173.9-62.4-179.3171.6179.80113.7F147 N148 S149 G173 H174 Y177F147-K152 VanDerWaalsContact CE2-C 3.45Å; F147-K152 HydrophobicContact CZ-CB 4.48Å; N148-K152 WeakPolarHBondContact O-CA 3.45Å; N148-K152 PolarHBondContact O-N 2.9Å; S149-K152 WeakPolarHBondContact O-CG 3.35Å; K152-G173 WeakPolarHBondContact O-CA 3.38Å; K152-H174 HydrophobicContact CB-CB 4.16Å; K152-H174 HydrophobicContact CD-CB 4.29Å; K152-H174 PolarHBondContact O-N 2.99Å; K152-Y177 HydrophobicContact CD-CD2 3.92Å; K152-Y177 HydrophobicContact CD-CE2 3.55Å
153S64.7Low64.8Low8 Ų869.5 Ų69.56%0.05636%0.355CS..EExtended strand (participates in β ladder)trans-141.2159.5179.664.20000112.6F147 R151 K172F147-S153 WeakPolarHBondContact CA-O 3.32Å; R151-S153 WeakPolarHBondContact CD-O 3.4Å; R151-S153 PolarHBondContact NE-O 3.44Å; R151-S153 PolarHBondContact O-N 3.16Å; R151-S153 VanDerWaalsContact O-N 3.16Å; S153-K172 CarbonylContact C-O 3.59Å; S153-K172 WeakPolarHBondContact CA-O 3.37Å; S153-K172 WeakPolarHBondContact CB-O 3.19Å
154M65.4Low63.6Low46 Ų4676.4 Ų76.423%0.22738%0.379CS..EExtended strand (participates in β ladder)trans-129.7136172.2179.3-170.6-72.300108.1Y145 F147 T170 P171 K172Y145-M154 WeakPolarHBondContact O-CA 3.5Å; Y145-M154 VanDerWaalsContact O-CG 3.27Å; Y145-M154 WeakPolarHBondContact O-CG 3.27Å; F147-M154 HydrophobicContact CB-CE 4.11Å; M154-T170 WeakPolarHBondContact O-CA 3.12Å; M154-T170 WeakPolarHBondContact O-CG2 3.38Å; M154-P171 WeakPolarHBondContact O-CD 3.44Å; M154-K172 HydrophobicContact CB-CB 4.21Å; M154-K172 PolarHBondContact N-O 3.3Å
155S68.3Low62.4Low0 Ų075 Ų750%037%0.367CS..EExtended strand (participates in β ladder)trans-133.4151.4-177.7-43.50000112.1Y145 F169 T170Y145-S155 WeakPolarHBondContact CA-O 3.29Å; Y145-S155 PolarHBondContact N-O 3.36Å; Y145-S155 PolarHBondContact O-N 3.27Å; Y145-S155 VanDerWaalsContact O-O 3.07Å; S155-F169 CarbonylContact C-O 3.14Å; S155-F169 WeakPolarHBondContact CA-O 3Å; S155-T170 WeakPolarHBondContact OG-CG2 3.5Å
156T67.5Low61.4Low26 Ų2675.3 Ų75.316%0.1637%0.374CS..EExtended strand (participates in β ladder)trans-138.1133.6178-60.60000110.1L141 V144 I158 F169L141-T156 HydrophobicContact CD1-CG2 4.45Å; L141-T156 HydrophobicContact CD2-CG2 3.85Å; V144-T156 HydrophobicContact CG2-CG2 4.06Å; T156-I158 HydrophobicContact CG2-CG1 4.09Å; T156-F169 PolarHBondContact N-O 3.11Å; T156-F169 PolarHBondContact O-N 3.36Å
157V68.4Low60.3Low0 Ų072.4 Ų72.40%035%0.354CS..EExtended strand (participates in β ladder)trans-105.4122.3180-170.90000109.1V142 K143 Y145 A166 I167 V168 W213V142-V157 HydrophobicContact CB-CB 4.18Å; V142-V157 HydrophobicContact CB-CG1 3.95Å; V142-V157 HydrophobicContact CG1-CG1 4.35Å; V142-V157 HydrophobicContact CG2-CG1 4.47Å; V142-V157 PolarHBondContact N-O 3.12Å; K143-V157 HydrophobicContact CB-CB 4.28Å; K143-V157 HydrophobicContact CB-CG2 4.15Å; K143-V157 PolarHBondContact O-N 3.03Å; Y145-V157 HydrophobicContact CD2-CG2 4.49Å; Y145-V157 HydrophobicContact CE2-CG2 3.95Å; V157-A166 HydrophobicContact CG1-CB 3.56Å; V157-I167 WeakPolarHBondContact CA-O 3.28Å; V157-V168 HydrophobicContact CG2-CG1 4.41Å; V157-V168 HydrophobicContact CG2-CG2 4.14Å; V157-W213 HydrophobicContact CG1-CE3 4.01Å; V157-W213 HydrophobicContact CG1-CH2 4.22Å; V157-W213 HydrophobicContact CG1-CZ3 3.76Å; V157-W213 HydrophobicContact CG2-CE3 4.48Å
158I64.5Low59.7Low42 Ų4268 Ų6822%0.21534%0.335CS..EExtended strand (participates in β ladder)trans-120.4131.7-176.6-52.5-178.7000109.4T136 L141 T156 A166 I167 F169T136-I158 HydrophobicContact CG2-CG2 3.65Å; L141-I158 HydrophobicContact CD2-CD1 4.3Å; L141-I158 HydrophobicContact CD2-CG1 3.82Å; T156-I158 HydrophobicContact CG2-CG1 4.09Å; I158-A166 CarbonylContact O-C 3.5Å; I158-A166 VanDerWaalsContact O-CA 3.31Å; I158-A166 WeakPolarHBondContact O-CA 3.43Å; I158-I167 PolarHBondContact N-O 3.08Å; I158-I167 PolarHBondContact O-N 3.36Å; I158-F169 HydrophobicContact CD1-CD2 3.87Å; I158-F169 HydrophobicContact CD1-CE2 3.96Å; I158-F169 HydrophobicContact CG1-CD2 4.27Å; I158-F169 HydrophobicContact CG1-CE2 4.5Å
159E64.1Low59.1Low114 Ų11468.2 Ų68.253%0.53333%0.333SS..EExtended strand (participates in β ladder)trans-80.9133.8172.8-172.4177.3-158.100111.2V142V142-E159 HydrophobicContact CG2-CB 3.82Å
160K61Low58.6Low74 Ų7463.9 Ų63.932%0.32230%0.303SS..  trans-96.6140.1178.6-159.6177.8179.5-174.80111.2T162 E165 I167 Y628K160-T162 PolarHBondContact O-N 2.85Å; K160-E165 PolarHBondContact N-O 2.96Å; K160-I167 HydrophobicContact CD-CD1 4.35Å; K160-Y628 PolarHBondContact NZ-OH 3.43Å
161R55.4Low58Low181 Ų18160.2 Ų60.268%0.68328%0.282SS*.THydrogen-bonded Turntrans-61.6-3.9-171.9-65.6-173.7-173.11766.3116.6E135 R140E135-R161 PolarHBondContact O-NH2 2.74Å; E135-R161 VanDerWaalsContact O-NH2 3.09Å; R140-R161 VanDerWaalsContact NH1-NE 3.19Å
162T49.1Very low57.7Low101 Ų10159.7 Ų59.762%0.6228%0.281SS*.THydrogen-bonded Turntrans-119.7-14.4-162.332.10000118.5K160K160-T162 PolarHBondContact O-N 2.85Å
163I43.8Very low57.2Low123 Ų12356.9 Ų56.963%0.63127%0.27SS*.SBendtrans-168159.6167.2-80.3120.8000104.3E165I163-E165 HydrophobicContact CB-CG 4.29Å; I163-E165 HydrophobicContact CG2-CG 4.2Å; I163-E165 PolarHBondContact O-N 3.04Å
164R48.1Very low56.6Low226 Ų22659.5 Ų59.585%0.85328%0.281SS*.SBendtrans-53.465.8177.2-68-178.4177.6-178.9-1.5113.9
165E48.5Very low56Low38 Ų3859 Ų5918%0.17828%0.282CS..  trans-120.2127-173.6-66.4-175.5163.600108.1K160 I163K160-E165 PolarHBondContact N-O 2.96Å; I163-E165 HydrophobicContact CB-CG 4.29Å; I163-E165 HydrophobicContact CG2-CG 4.2Å; I163-E165 PolarHBondContact O-N 3.04Å
166A49.9Very low55.1Low23 Ų2366.7 Ų66.719%0.1932%0.316CS..EExtended strand (participates in β ladder)trans-114.9130.2172.600000109.1V157 I158 W213V157-A166 HydrophobicContact CG1-CB 3.56Å; I158-A166 CarbonylContact O-C 3.5Å; I158-A166 VanDerWaalsContact O-CA 3.31Å; I158-A166 WeakPolarHBondContact O-CA 3.43Å; A166-W213 HydrophobicContact CB-CH2 3.2Å; A166-W213 HydrophobicContact CB-CZ2 3.53Å; A166-W213 HydrophobicContact CB-CZ3 4.01Å
167I54.4Low54.3Low31 Ų3170.6 Ų70.616%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-101.2124.7175.8-58.4174.9000107.9V157 I158 K160 F169V157-I167 WeakPolarHBondContact CA-O 3.28Å; I158-I167 PolarHBondContact N-O 3.08Å; I158-I167 PolarHBondContact O-N 3.36Å; K160-I167 HydrophobicContact CD-CD1 4.35Å; I167-F169 HydrophobicContact CB-CD2 4.31Å; I167-F169 HydrophobicContact CB-CE2 3.76Å; I167-F169 HydrophobicContact CB-CZ 4.29Å; I167-F169 HydrophobicContact CG2-CD1 4.43Å; I167-F169 HydrophobicContact CG2-CD2 3.73Å; I167-F169 HydrophobicContact CG2-CE1 4.03Å; I167-F169 HydrophobicContact CG2-CE2 3.26Å; I167-F169 HydrophobicContact CG2-CG 4.3Å; I167-F169 HydrophobicContact CG2-CZ 3.44Å; I167-F169 VanDerWaalsContact CG2-CZ 3.44Å
168V54.1Low53.5Low6 Ų671.3 Ų71.34%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-92.9113.3173.6-171.40000108.1V157 V219 F223 A622 R623V157-V168 HydrophobicContact CG2-CG1 4.41Å; V157-V168 HydrophobicContact CG2-CG2 4.14Å; V168-V219 HydrophobicContact CB-CG1 4.43Å; V168-V219 HydrophobicContact CG1-CG1 3.97Å; V168-V219 HydrophobicContact CG2-CG1 3.59Å; V168-F223 HydrophobicContact CB-CE1 4.01Å; V168-F223 HydrophobicContact CG1-CE1 3.72Å; V168-F223 HydrophobicContact CG1-CZ 3.98Å; V168-A622 WeakPolarHBondContact O-CA 3.37Å; V168-R623 PolarHBondContact O-N 3.24Å
169F56.8Low53Low69 Ų6974.4 Ų74.430%0.30334%0.342SS..EExtended strand (participates in β ladder)trans-100.3132.1173.7-71.2-80.3000110.3S155 T156 I158 I167 P171 F621 A622S155-F169 CarbonylContact C-O 3.14Å; S155-F169 WeakPolarHBondContact CA-O 3Å; T156-F169 PolarHBondContact N-O 3.11Å; T156-F169 PolarHBondContact O-N 3.36Å; I158-F169 HydrophobicContact CD1-CD2 3.87Å; I158-F169 HydrophobicContact CD1-CE2 3.96Å; I158-F169 HydrophobicContact CG1-CD2 4.27Å; I158-F169 HydrophobicContact CG1-CE2 4.5Å; I167-F169 HydrophobicContact CB-CD2 4.31Å; I167-F169 HydrophobicContact CB-CE2 3.76Å; I167-F169 HydrophobicContact CB-CZ 4.29Å; I167-F169 HydrophobicContact CG2-CD1 4.43Å; I167-F169 HydrophobicContact CG2-CD2 3.73Å; I167-F169 HydrophobicContact CG2-CE1 4.03Å; I167-F169 HydrophobicContact CG2-CE2 3.26Å; I167-F169 HydrophobicContact CG2-CG 4.3Å; I167-F169 HydrophobicContact CG2-CZ 3.44Å; I167-F169 VanDerWaalsContact CG2-CZ 3.44Å; F169-P171 VanDerWaalsContact C-CD 3.47Å; F169-P171 VanDerWaalsContact O-CD 3.25Å; F169-P171 WeakPolarHBondContact O-CD 2.96Å; F169-F621 WeakPolarHBondContact CA-O 3.29Å; F169-A622 HydrophobicContact CD1-CB 4.13Å; F169-A622 HydrophobicContact CE1-CB 4.06Å
170T54.9Low52.4Low3 Ų374.5 Ų74.52%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-115.681.6174.3-30.30000108.4M154 S155 K172 F223 V619 F621M154-T170 WeakPolarHBondContact O-CA 3.12Å; M154-T170 WeakPolarHBondContact O-CG2 3.38Å; S155-T170 WeakPolarHBondContact OG-CG2 3.5Å; T170-K172 VanDerWaalsContact C-N 3.25Å; T170-K172 PolarHBondContact O-N 3.23Å; T170-F223 WeakPolarHBondContact OG1-CE1 3.36Å; T170-V619 VanDerWaalsContact O-O 3.1Å; T170-F621 PolarHBondContact N-O 2.88Å; T170-F621 PolarHBondContact O-N 3.43Å
171P51.5Low51.9Low42 Ų4274.4 Ų74.427%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-74.2-12.7-173.527.7-35.9000114.4M154 F169 L620M154-P171 WeakPolarHBondContact O-CD 3.44Å; F169-P171 VanDerWaalsContact C-CD 3.47Å; F169-P171 VanDerWaalsContact O-CD 3.25Å; F169-P171 WeakPolarHBondContact O-CD 2.96Å; P171-L620 HydrophobicContact CB-CD2 4.05Å
172K55.1Low51.6Low35 Ų3567.2 Ų67.215%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-140.2126-174.9-161.3178-166.6169.30110N112 E115 S153 M154 T170N112-K172 PolarHBondContact ND2-NZ 2.89Å; E115-K172 IonicContact OE1-NZ 3.23Å; E115-K172 PolarHBondContact OE1-NZ 2.82Å; S153-K172 CarbonylContact C-O 3.59Å; S153-K172 WeakPolarHBondContact CA-O 3.37Å; S153-K172 WeakPolarHBondContact CB-O 3.19Å; M154-K172 HydrophobicContact CB-CB 4.21Å; M154-K172 PolarHBondContact N-O 3.3Å; T170-K172 VanDerWaalsContact C-N 3.25Å; T170-K172 PolarHBondContact O-N 3.23Å
173G55.1Low51.6Low6 Ų664.7 Ų64.76%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-170.6135.7-177.300000111.7K152 S175 C178K152-G173 WeakPolarHBondContact O-CA 3.38Å; G173-S175 PolarHBondContact O-N 2.71Å; G173-C178 VanDerWaalsContact CA-SG 3.56Å
174H53.9Low51.5Low63 Ų6360.8 Ų60.829%0.29230%0.303SS..  trans-66.4128.2173.7-158-42.7000108.6K152 K176 Y177 C178K152-H174 HydrophobicContact CB-CB 4.16Å; K152-H174 HydrophobicContact CD-CB 4.29Å; K152-H174 PolarHBondContact O-N 2.99Å; H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.34Å; H174-Y177 HydrophobicContact CB-CD2 3.89Å; H174-Y177 PolarHBondContact O-N 2.73Å; H174-C178 PolarHBondContact O-N 3.29Å; H174-C178 VanDerWaalsContact O-N 3.09Å
175S51.2Low51Low36 Ų3655.2 Ų55.225%0.25229%0.285SS..Hα-helixtrans-44.9-53-17657.20000111.7G173 Y177 C178 W179G173-S175 PolarHBondContact O-N 2.71Å; S175-Y177 PolarHBondContact O-N 2.94Å; S175-C178 PolarHBondContact O-N 3.22Å; S175-W179 VanDerWaalsContact O-CB 3.3Å; S175-W179 WeakPolarHBondContact O-CB 3.43Å; S175-W179 VanDerWaalsContact O-CG 3.23Å; S175-W179 PolarHBondContact O-N 3.47Å; S175-W179 VanDerWaalsContact O-N 3.1Å
176K49.4Very low50.4Low162 Ų16262.1 Ų62.170%0.70431%0.31SS*.Hα-helixtrans-55-30.8179.6-163.1171.7-177.2173.30115.7H174 V180H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.34Å; K176-V180 VanDerWaalsContact O-CG2 3.28Å; K176-V180 WeakPolarHBondContact O-CG2 3.44Å
177Y52.2Low49.4Very low107 Ų10766 Ų6642%0.4233%0.331SS..Hα-helixtrans-91.8-43.2-175.8-70.6-95.8000112.7K152 H174 S175 W179 V180K152-Y177 HydrophobicContact CD-CD2 3.92Å; K152-Y177 HydrophobicContact CD-CE2 3.55Å; H174-Y177 HydrophobicContact CB-CD2 3.89Å; H174-Y177 PolarHBondContact O-N 2.73Å; S175-Y177 PolarHBondContact O-N 2.94Å; Y177-W179 VanDerWaalsContact C-N 3.31Å; Y177-W179 PolarHBondContact O-N 3.18Å; Y177-V180 PolarHBondContact O-N 3.28Å
178C51.5Low47.9Very low15 Ų1574.2 Ų74.210%0.10136%0.36CS..Hα-helixtrans-72.5-27.9179.9-77.60000113G173 H174 S175 V180 N181 A182 F621G173-C178 VanDerWaalsContact CA-SG 3.56Å; H174-C178 PolarHBondContact O-N 3.29Å; H174-C178 VanDerWaalsContact O-N 3.09Å; S175-C178 PolarHBondContact O-N 3.22Å; C178-V180 VanDerWaalsContact C-N 3.26Å; C178-V180 PolarHBondContact O-N 3.49Å; C178-N181 PolarHBondContact O-N 2.89Å; C178-A182 PolarHBondContact O-N 3.46Å; C178-F621 HydrophobicContact CB-CD2 4.02Å; C178-F621 HydrophobicContact CB-CE2 3.21Å; C178-F621 HydrophobicContact CB-CZ 3.6Å
179W52.1Low46.5Very low107 Ų10782.6 Ų82.641%0.40540%0.401SS..G310 helixtrans-70.3-23.6176.9-70.961.4000112.7S175 Y177 N181 F185S175-W179 VanDerWaalsContact O-CB 3.3Å; S175-W179 WeakPolarHBondContact O-CB 3.43Å; S175-W179 VanDerWaalsContact O-CG 3.23Å; S175-W179 PolarHBondContact O-N 3.47Å; S175-W179 VanDerWaalsContact O-N 3.1Å; Y177-W179 VanDerWaalsContact C-N 3.31Å; Y177-W179 PolarHBondContact O-N 3.18Å; W179-N181 VanDerWaalsContact C-N 3.3Å; W179-F185 AromaticContact CH2-CD2 3.94Å; W179-F185 HydrophobicContact CH2-CD2 3.94Å; W179-F185 AromaticContact CH2-CE2 3.39Å; W179-F185 HydrophobicContact CH2-CE2 3.39Å; W179-F185 HydrophobicContact CH2-CZ 4.24Å; W179-F185 HydrophobicContact CZ2-CE2 4.38Å; W179-F185 AromaticContact CZ3-CD2 3.81Å; W179-F185 HydrophobicContact CZ3-CD2 3.81Å; W179-F185 AromaticContact CZ3-CE2 3.76Å; W179-F185 HydrophobicContact CZ3-CE2 3.76Å
180V52.8Low44.9Very low117 Ų11783.4 Ų83.471%0.70942%0.42SS*.G310 helixtrans-70.7-27.2175173.90000111.9K176 Y177 C178K176-V180 VanDerWaalsContact O-CG2 3.28Å; K176-V180 WeakPolarHBondContact O-CG2 3.44Å; Y177-V180 PolarHBondContact O-N 3.28Å; C178-V180 VanDerWaalsContact C-N 3.26Å; C178-V180 PolarHBondContact O-N 3.49Å
181N51.2Low43.5Very low71 Ų7191.9 Ų91.938%0.3846%0.46SS..G310 helixtrans-101.65.9-178.5-69-10.7000113.5C178 W179 D222 F223C178-N181 PolarHBondContact O-N 2.89Å; W179-N181 VanDerWaalsContact C-N 3.3Å; N181-D222 PolarHBondContact O-N 3.11Å; N181-F223 PolarHBondContact O-N 3.45Å
182A48.6Very low42.3Very low30 Ų3095.6 Ų95.625%0.24848%0.476CS..EExtended strand (participates in β ladder)trans-91.7120.4-179.800000109.9C178 F223 F621C178-A182 PolarHBondContact O-N 3.46Å; A182-F223 WeakPolarHBondContact CA-O 3.28Å; A182-F621 HydrophobicContact CB-CD1 4.4Å; A182-F621 HydrophobicContact CB-CE1 3.66Å; A182-F621 HydrophobicContact CB-CZ 4.48Å
183S48.1Very low41.3Very low49 Ų4997.9 Ų97.934%0.34350%0.497SS..EExtended strand (participates in β ladder)trans-89.9-16.5177.747.20000112.4D222 F223S183-D222 VanDerWaalsContact OG-C 3.32Å; S183-D222 VanDerWaalsContact OG-CA 3.31Å; S183-D222 WeakPolarHBondContact OG-CA 3.46Å; S183-D222 PolarHBondContact OG-O 3.26Å; S183-F223 PolarHBondContact N-O 2.93Å; S183-F223 VanDerWaalsContact N-O 3.16Å
184S41.5Very low40.1Very low41 Ų41101.3 Ų101.329%0.28751%0.514SS..EExtended strand (participates in β ladder)trans-149.8139.3-175.545.70000113.5T224 C225S184-T224 PolarHBondContact OG-OG1 3.14Å; S184-C225 PolarHBondContact O-N 2.82Å; S184-C225 VanDerWaalsContact O-N 3.11Å
185F38.6Very low39.2Very low108 Ų108103.4 Ų103.447%0.47452%0.522SS..EExtended strand (participates in β ladder)trans-107.9135.5174-166.3-105.5000109.4W179 V187 C225W179-F185 AromaticContact CH2-CD2 3.94Å; W179-F185 HydrophobicContact CH2-CD2 3.94Å; W179-F185 AromaticContact CH2-CE2 3.39Å; W179-F185 HydrophobicContact CH2-CE2 3.39Å; W179-F185 HydrophobicContact CH2-CZ 4.24Å; W179-F185 HydrophobicContact CZ2-CE2 4.38Å; W179-F185 AromaticContact CZ3-CD2 3.81Å; W179-F185 HydrophobicContact CZ3-CD2 3.81Å; W179-F185 AromaticContact CZ3-CE2 3.76Å; W179-F185 HydrophobicContact CZ3-CE2 3.76Å; F185-V187 HydrophobicContact CD1-CB 4.14Å; F185-V187 HydrophobicContact CD1-CG2 3.47Å; F185-V187 VanDerWaalsContact CD1-CG2 3.47Å; F185-V187 HydrophobicContact CE1-CG2 3.47Å; F185-V187 VanDerWaalsContact CE1-CG2 3.47Å; F185-V187 PolarHBondContact O-N 2.93Å; F185-C225 HydrophobicContact CD2-CB 4.06Å
186W34.9Very low38.5Very low184 Ų184104.9 Ų104.970%0.69753%0.529SS*.SBendtrans-71.277.4173.6-89.680.7000111.3
187V30Very low38.1Very low105 Ų105106.5 Ų106.564%0.63654%0.54SS*.SBendtrans-133.1115.3158.2171.40000105.2F185 M189F185-V187 HydrophobicContact CD1-CB 4.14Å; F185-V187 HydrophobicContact CD1-CG2 3.47Å; F185-V187 VanDerWaalsContact CD1-CG2 3.47Å; F185-V187 HydrophobicContact CE1-CG2 3.47Å; F185-V187 VanDerWaalsContact CE1-CG2 3.47Å; F185-V187 PolarHBondContact O-N 2.93Å; V187-M189 PolarHBondContact O-N 3.28Å
188R22.9Very low37.5Very low202 Ų202105.5 Ų105.576%0.76255%0.548SS*.SBendtrans-35.9109.3-175.5-79.4-179.2-179.9-175.5-0.8112.9
189M23.4Very low37.1Very low183 Ų183112.3 Ų112.390%0.90158%0.583SS**  trans166.1137147.7-92.1-71.9-175.800109.2V187V187-M189 PolarHBondContact O-N 3.28Å
190A24.3Very low36.6Very low85 Ų85110.4 Ų110.470%0.70259%0.585SS**  trans78.4108157.900000120.7
191Q24.9Very low36.2Very low182 Ų182112.3 Ų112.385%0.8559%0.586SS**  trans31.5109.5131.8-74.4167.8-55.300118.2
192L26.6Very low35.8Very low119 Ų119115.8 Ų115.862%0.62361%0.61SS**  trans-142.9142.8142.9-129.299.9000110.6
193S33.3Very low35.5Very low83 Ų83121.4 Ų121.458%0.5864%0.636SS**  trans-61141.3-152.846.10000117.8
194D30Very low34.9Very low78 Ų78121.9 Ų121.942%0.41763%0.633SS.*  trans-74.6145.2-177.4-61.9-52.9000114.4V196D194-V196 HydrophobicContact CB-CG2 3.87Å; D194-V196 PolarHBondContact O-N 3.14Å
195F35.2Very low34.9Very low108 Ų108127 Ų12747%0.47466%0.656SS.*  trans-73.5108160.6-73.7-96.9000108.6N625F195-N625 HydrophobicContact CD2-CB 3.74Å; F195-N625 VanDerWaalsContact CD2-CG 3.5Å; F195-N625 WeakPolarHBondContact CD2-OD1 3.22Å; F195-N625 HydrophobicContact CE2-CB 4.13Å; F195-N625 VanDerWaalsContact CE2-CG 3.47Å; F195-N625 WeakPolarHBondContact CE2-OD1 3.36Å; F195-N625 HydrophobicContact CG-CB 4.24Å; F195-N625 VanDerWaalsContact CZ-OD1 3.26Å; F195-N625 WeakPolarHBondContact CZ-OD1 3.12Å
196V37Very low34.6Very low66 Ų66126.8 Ų126.840%0.466%0.656SS.*  trans-126.4121.3173-1700000109D194 S198D194-V196 HydrophobicContact CB-CG2 3.87Å; D194-V196 PolarHBondContact O-N 3.14Å; V196-S198 VanDerWaalsContact CG1-O 3.3Å; V196-S198 WeakPolarHBondContact CG1-O 3.29Å; V196-S198 PolarHBondContact O-N 3.4Å
197Q40.9Very low35Very low197 Ų197126.3 Ų126.392%0.92166%0.655SS**SBendtrans-76.41.4179-80.2-178.4-17.300113.4
198S39.5Very low35.4Very low86 Ų86131.3 Ų131.360%0.60166%0.663SS**SBendtrans-141.7123.3-174.559.20000113V196V196-S198 VanDerWaalsContact CG1-O 3.3Å; V196-S198 WeakPolarHBondContact CG1-O 3.29Å; V196-S198 PolarHBondContact O-N 3.4Å
199N44.2Very low36.6Very low157 Ų157128.5 Ų128.584%0.8466%0.663SS**  trans48.193.9173.5-115.714.4000116.9
200P40.5Very low38.1Very low68 Ų68126.6 Ų126.644%0.44266%0.656SS.*  trans-75132.3-179.829.8-32.3000112.4Q204P200-Q204 HydrophobicContact CB-CB 3.7Å
201E44.1Very low39.7Very low156 Ų156126.2 Ų126.273%0.72965%0.645SS**  trans-70162.2154.8-69.2-173.6168.800109.7N203 Q204E201-N203 PolarHBondContact O-N 3.44Å; E201-Q204 PolarHBondContact O-N 3.44Å; E201-Q204 VanDerWaalsContact O-N 3.11Å
202T43.1Very low41.6Very low145 Ų145121.9 Ų121.989%0.8963%0.628SS**THydrogen-bonded Turntrans-50.6-6.1-166.6-31.30000117
203N43.6Very low43.5Very low147 Ų147120.2 Ų120.279%0.78661%0.613SS**THydrogen-bonded Turntrans-123.318.2-174.8-61-26.8000114.5E201E201-N203 PolarHBondContact O-N 3.44Å
204Q34.5Very low45Very low59 Ų59123.5 Ų123.528%0.27662%0.62SS.*  trans-112.4140.5-178.7-65.4-179.55.400113.2P200 E201P200-Q204 HydrophobicContact CB-CB 3.7Å; E201-Q204 PolarHBondContact O-N 3.44Å; E201-Q204 VanDerWaalsContact O-N 3.11Å
205I40.9Very low46.7Very low150 Ų150122.4 Ų122.477%0.76961%0.614SS**PPolyproline II helixtrans-101.7119.1176.3-56.9173.8000109.2Y207I205-Y207 HydrophobicContact CG2-CD2 4.11Å; I205-Y207 HydrophobicContact CG2-CE2 3.79Å
206Q33.9Very low48.1Very low102 Ų102120.5 Ų120.548%0.47761%0.606SS.*PPolyproline II helixtrans-92.3118.6177.7-172.9-179.725.300110.9
207Y42.5Very low49.4Very low174 Ų174121 Ų12168%0.68261%0.61SS**PPolyproline II helixtrans-95.8130.2166.2-81.8-93.7000110.3I205 L218I205-Y207 HydrophobicContact CG2-CD2 4.11Å; I205-Y207 HydrophobicContact CG2-CE2 3.79Å; Y207-L218 HydrophobicContact CE1-CD2 4.32Å
208R38.8Very low50.3Low211 Ų211114.7 Ų114.780%0.79658%0.582SS**  trans-99.9-9.5-175.6-91-176.5-176.8168.21.8115.3
209N47.6Very low51.5Low142 Ų142110.9 Ų110.976%0.75956%0.555SS**SBendtrans-128.8158.4-169.3-62.8-16.4000112.1
210D54.6Low52.3Low143 Ų143104.6 Ų104.677%0.76552%0.522SS*.  trans-51.9138.1170.3-75.5-38.1000110.4D212D210-D212 PolarHBondContact O-N 3.19Å
211V58.5Low53.2Low78 Ų78108.4 Ų108.447%0.47353%0.528SS..  trans-68.1122.9-179.7178.60000108.8W213V211-W213 HydrophobicContact CB-CH2 4.4Å; V211-W213 HydrophobicContact CB-CZ2 4.12Å; V211-W213 HydrophobicContact CG1-CD2 4.23Å; V211-W213 HydrophobicContact CG1-CE3 4.14Å; V211-W213 HydrophobicContact CG1-CH2 4.22Å; V211-W213 HydrophobicContact CG1-CZ2 4.34Å; V211-W213 HydrophobicContact CG1-CZ3 4.14Å; V211-W213 PolarHBondContact O-N 3.14Å
212D63.7Low53.9Low91 Ų91105.4 Ų105.449%0.48752%0.516SS..  trans-72.497.9170-172.3-1.4000109.4D210 E214 D215D210-D212 PolarHBondContact O-N 3.19Å; D212-E214 PolarHBondContact O-N 3.2Å; D212-E214 VanDerWaalsContact OD1-CB 3.3Å; D212-E214 WeakPolarHBondContact OD1-CB 3.4Å; D212-E214 PolarHBondContact OD1-N 2.82Å; D212-D215 HydrophobicContact CB-CB 4.42Å; D212-D215 PolarHBondContact O-N 2.94Å; D212-D215 VanDerWaalsContact O-N 3.15Å
213W67Low54.8Low83 Ų8398.8 Ų98.831%0.31448%0.476SS..THydrogen-bonded Turntrans-67.1-8.2176.3-57.2108000112.9V142 Y145 V157 A166 V211 V219V142-W213 HydrophobicContact CG1-CD2 4.26Å; V142-W213 HydrophobicContact CG1-CG 4.18Å; Y145-W213 PolarHBondContact OH-O 3.01Å; V157-W213 HydrophobicContact CG1-CE3 4.01Å; V157-W213 HydrophobicContact CG1-CH2 4.22Å; V157-W213 HydrophobicContact CG1-CZ3 3.76Å; V157-W213 HydrophobicContact CG2-CE3 4.48Å; A166-W213 HydrophobicContact CB-CH2 3.2Å; A166-W213 HydrophobicContact CB-CZ2 3.53Å; A166-W213 HydrophobicContact CB-CZ3 4.01Å; V211-W213 HydrophobicContact CB-CH2 4.4Å; V211-W213 HydrophobicContact CB-CZ2 4.12Å; V211-W213 HydrophobicContact CG1-CD2 4.23Å; V211-W213 HydrophobicContact CG1-CE3 4.14Å; V211-W213 HydrophobicContact CG1-CH2 4.22Å; V211-W213 HydrophobicContact CG1-CZ2 4.34Å; V211-W213 HydrophobicContact CG1-CZ3 4.14Å; V211-W213 PolarHBondContact O-N 3.14Å; W213-V219 HydrophobicContact CE3-CG2 4.1Å; W213-V219 HydrophobicContact CZ3-CG2 4.48Å
214E64.9Low55.4Low153 Ų15393.6 Ų93.672%0.71545%0.449SS*.THydrogen-bonded Turntrans-82.7-24.9172.2-54.7-142.7137.300112.4D212 E216D212-E214 PolarHBondContact O-N 3.2Å; D212-E214 VanDerWaalsContact OD1-CB 3.3Å; D212-E214 WeakPolarHBondContact OD1-CB 3.4Å; D212-E214 PolarHBondContact OD1-N 2.82Å; E214-E216 PolarHBondContact O-N 2.81Å
215D66.6Low56.3Low55 Ų5590.9 Ų90.929%0.29444%0.437SS..  trans-80.290.1174.6-172.1-4.4000111.2D212 T217 L218 V219D212-D215 HydrophobicContact CB-CB 4.42Å; D212-D215 PolarHBondContact O-N 2.94Å; D212-D215 VanDerWaalsContact O-N 3.15Å; D215-T217 PolarHBondContact O-N 2.95Å; D215-T217 VanDerWaalsContact O-N 3.08Å; D215-T217 WeakPolarHBondContact OD1-CB 3.26Å; D215-T217 PolarHBondContact OD1-N 3.34Å; D215-T217 PolarHBondContact OD1-OG1 3.43Å; D215-L218 HydrophobicContact CB-CB 4.42Å; D215-L218 HydrophobicContact CB-CD1 3.94Å; D215-L218 HydrophobicContact CB-CG 4.42Å; D215-L218 PolarHBondContact O-N 3.41Å; D215-L218 VanDerWaalsContact O-N 3.16Å; D215-L218 WeakPolarHBondContact OD2-CD1 3.34Å; D215-L218 WeakPolarHBondContact OD2-CG 3.48Å; D215-V219 WeakPolarHBondContact O-CG2 3.42Å; D215-V219 PolarHBondContact O-N 3.46Å
216E63.3Low56.9Low67 Ų6787.4 Ų87.431%0.31342%0.419SS..Hα-helixtrans-55.1-26.9176.9-167.3174173.600112.6Y145 R151 E214 V219 V220Y145-E216 HydrophobicContact CD1-CG 4.08Å; Y145-E216 HydrophobicContact CE1-CB 4.08Å; Y145-E216 HydrophobicContact CE1-CG 3.89Å; R151-E216 IonicContact CZ-OE1 2.79Å; R151-E216 IonicContact NE-OE1 3.8Å; R151-E216 IonicContact NH1-OE1 2.64Å; R151-E216 PolarHBondContact NH1-OE1 3.49Å; R151-E216 IonicContact NH1-OE2 3.17Å; R151-E216 PolarHBondContact NH1-OE2 3.36Å; E214-E216 PolarHBondContact O-N 2.81Å; E216-V219 PolarHBondContact O-N 2.92Å; E216-V220 HydrophobicContact CG-CG2 3.71Å; E216-V220 VanDerWaalsContact O-CB 3.27Å; E216-V220 WeakPolarHBondContact O-CB 3.41Å; E216-V220 VanDerWaalsContact O-CG2 3.23Å; E216-V220 WeakPolarHBondContact O-CG2 3.07Å; E216-V220 PolarHBondContact O-N 3.31Å
217T64.3Low57.7Low77 Ų7784.6 Ų84.647%0.47241%0.414SS..Hα-helixtrans-76.4-27-17868.60000113.8D215 R221D215-T217 PolarHBondContact O-N 2.95Å; D215-T217 VanDerWaalsContact O-N 3.08Å; D215-T217 WeakPolarHBondContact OD1-CB 3.26Å; D215-T217 PolarHBondContact OD1-N 3.34Å; D215-T217 PolarHBondContact OD1-OG1 3.43Å; T217-R221 WeakPolarHBondContact O-CD 3.21Å; T217-R221 VanDerWaalsContact O-CG 3.28Å; T217-R221 WeakPolarHBondContact O-CG 3.39Å; T217-R221 PolarHBondContact O-NE 3.04Å
218L61.2Low58.1Low65 Ų6580.1 Ų80.134%0.3441%0.406SS..Hα-helixtrans-75.4-34.2172.9-80.1166.2000111.6Y207 D215 R623Y207-L218 HydrophobicContact CE1-CD2 4.32Å; D215-L218 HydrophobicContact CB-CB 4.42Å; D215-L218 HydrophobicContact CB-CD1 3.94Å; D215-L218 HydrophobicContact CB-CG 4.42Å; D215-L218 PolarHBondContact O-N 3.41Å; D215-L218 VanDerWaalsContact O-N 3.16Å; D215-L218 WeakPolarHBondContact OD2-CD1 3.34Å; D215-L218 WeakPolarHBondContact OD2-CG 3.48Å; L218-R623 PolarHBondContact O-NH1 3.39Å
219V62.9Low58.8Low5 Ų571.3 Ų71.33%0.0338%0.375CS..Hα-helixtrans-82.5-37.6-175.7-177.20000111.6Y145 V168 W213 D215 E216 R221Y145-V219 HydrophobicContact CE2-CG1 4.06Å; V168-V219 HydrophobicContact CB-CG1 4.43Å; V168-V219 HydrophobicContact CG1-CG1 3.97Å; V168-V219 HydrophobicContact CG2-CG1 3.59Å; W213-V219 HydrophobicContact CE3-CG2 4.1Å; W213-V219 HydrophobicContact CZ3-CG2 4.48Å; D215-V219 WeakPolarHBondContact O-CG2 3.42Å; D215-V219 PolarHBondContact O-N 3.46Å; E216-V219 PolarHBondContact O-N 2.92Å; V219-R221 PolarHBondContact O-N 2.96Å
220V61.6Low58.9Low25 Ų2568.1 Ų68.115%0.15238%0.376CS..SBendtrans-97.851.2-173.4-169.70000111.9E216 F223E216-V220 HydrophobicContact CG-CG2 3.71Å; E216-V220 VanDerWaalsContact O-CB 3.27Å; E216-V220 WeakPolarHBondContact O-CB 3.41Å; E216-V220 VanDerWaalsContact O-CG2 3.23Å; E216-V220 WeakPolarHBondContact O-CG2 3.07Å; E216-V220 PolarHBondContact O-N 3.31Å; V220-F223 HydrophobicContact CB-CE2 4.15Å; V220-F223 HydrophobicContact CB-CZ 4.42Å; V220-F223 HydrophobicContact CG1-CE2 3.72Å; V220-F223 HydrophobicContact CG1-CZ 4.28Å
221R60.2Low58.8Low148 Ų14863.4 Ų63.456%0.55835%0.35SS*.SBendtrans-138.7153.6173.4-71.2-179.5-175.5-177.24.3110.9T217 V219 R623T217-R221 WeakPolarHBondContact O-CD 3.21Å; T217-R221 VanDerWaalsContact O-CG 3.28Å; T217-R221 WeakPolarHBondContact O-CG 3.39Å; T217-R221 PolarHBondContact O-NE 3.04Å; V219-R221 PolarHBondContact O-N 2.96Å; R221-R623 PolarHBondContact O-NH1 3.07Å
222D59.2Low58.4Low93 Ų9367.3 Ų67.350%0.49736%0.363SS..SBendtrans56.250.9173.7-56.9-44000115.1N181 S183N181-D222 PolarHBondContact O-N 3.11Å; S183-D222 VanDerWaalsContact OG-C 3.32Å; S183-D222 VanDerWaalsContact OG-CA 3.31Å; S183-D222 WeakPolarHBondContact OG-CA 3.46Å; S183-D222 PolarHBondContact OG-O 3.26Å
223F61.5Low57.6Low7 Ų769.3 Ų69.33%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-78.2150.8177.2-72.7-73.5000113.1V168 T170 N181 A182 S183 V220 F621 R623V168-F223 HydrophobicContact CB-CE1 4.01Å; V168-F223 HydrophobicContact CG1-CE1 3.72Å; V168-F223 HydrophobicContact CG1-CZ 3.98Å; T170-F223 WeakPolarHBondContact OG1-CE1 3.36Å; N181-F223 PolarHBondContact O-N 3.45Å; A182-F223 WeakPolarHBondContact CA-O 3.28Å; S183-F223 PolarHBondContact N-O 2.93Å; S183-F223 VanDerWaalsContact N-O 3.16Å; V220-F223 HydrophobicContact CB-CE2 4.15Å; V220-F223 HydrophobicContact CB-CZ 4.42Å; V220-F223 HydrophobicContact CG1-CE2 3.72Å; V220-F223 HydrophobicContact CG1-CZ 4.28Å; F223-F621 HydrophobicContact CB-CB 3.93Å; F223-F621 HydrophobicContact CB-CD1 3.76Å; F223-F621 HydrophobicContact CB-CG 4.15Å; F223-F621 HydrophobicContact CD1-CB 4.15Å; F223-F621 HydrophobicContact CG-CB 4.14Å; F223-R623 HydrophobicContact CD1-CB 4.41Å
224T55.9Low56.6Low37 Ų3771.4 Ų71.423%0.22740%0.398CS..EExtended strand (participates in β ladder)trans-96.4122.4167.6-56.50000110S184 L226 F621 A622S184-T224 PolarHBondContact OG-OG1 3.14Å; T224-L226 PolarHBondContact O-N 2.93Å; T224-F621 WeakPolarHBondContact O-CA 3.46Å; T224-A622 WeakPolarHBondContact CA-O 3.48Å; T224-A622 VanDerWaalsContact CB-O 3.28Å; T224-A622 WeakPolarHBondContact CB-O 3.38Å; T224-A622 PolarHBondContact N-O 3.34Å; T224-A622 PolarHBondContact O-N 3.48Å
225C52.5Low55.5Low3 Ų369.2 Ų69.22%0.0240%0.395CS..EExtended strand (participates in β ladder)trans-73.4114.5177.2-172.60000110.7S184 F185 F621S184-C225 PolarHBondContact O-N 2.82Å; S184-C225 VanDerWaalsContact O-N 3.11Å; F185-C225 HydrophobicContact CD2-CB 4.06Å; C225-F621 VanDerWaalsContact CA-CD1 3.45Å; C225-F621 HydrophobicContact CB-CD1 3.9Å; C225-F621 HydrophobicContact CB-CE1 3.48Å; C225-F621 VanDerWaalsContact CB-CE1 3.48Å; C225-F621 HydrophobicContact CB-CZ 4.26Å
226L55.3Low54Low77 Ų7775.5 Ų75.540%0.40342%0.415SS..EExtended strand (participates in β ladder)trans-77.6-60179.8-67.4174.7000111.5T224 L620 A622T224-L226 PolarHBondContact O-N 2.93Å; L226-L620 HydrophobicContact CB-CB 4.08Å; L226-L620 WeakPolarHBondContact CB-O 3.41Å; L226-L620 HydrophobicContact CD1-CB 4.28Å; L226-L620 PolarHBondContact N-O 3.37Å; L226-A622 HydrophobicContact CD1-CB 3.76Å; L226-A622 HydrophobicContact CD2-CB 4.16Å; L226-A622 HydrophobicContact CG-CB 4.01Å
227A50Low52.3Low43 Ų4380.9 Ų80.936%0.35544%0.439SS..EExtended strand (participates in β ladder)trans-164.7140.1179.400000111.1L620A227-L620 PolarHBondContact O-N 2.88Å; A227-L620 VanDerWaalsContact O-N 3.08Å
228P51.2Low50.7Low79 Ų7983.6 Ų83.651%0.51345%0.447SS..EExtended strand (participates in β ladder)trans-76.9136.7161.831.4-31.2000110.4
229V52.5Low49.1Very low27 Ų2784.4 Ų84.416%0.16446%0.463CS..EExtended strand (participates in β ladder)trans-111.8116.7173.5-175.60000108.6L118 I231 A618 L620L118-V229 HydrophobicContact CD2-CB 4.2Å; L118-V229 HydrophobicContact CD2-CG1 3.85Å; L118-V229 HydrophobicContact CD2-CG2 4.2Å; V229-I231 HydrophobicContact CG1-CG1 4.3Å; V229-A618 PolarHBondContact N-O 3.24Å; V229-A618 PolarHBondContact O-N 2.98Å; V229-L620 HydrophobicContact CG2-CD1 3.93Å
230G49.7Very low47.3Very low75 Ų7593.6 Ų93.677%0.77351%0.506SS*.EExtended strand (participates in β ladder)trans-76.3120.3171.800000110
231I54.1Low45.6Very low43 Ų4398.1 Ų98.122%0.22153%0.528CS..  trans-109.3117.7174.4-62.1173.3000106.4T114 A117 L118 V229 A618T114-I231 HydrophobicContact CG2-CD1 3.26Å; A117-I231 HydrophobicContact CB-CG2 4.3Å; L118-I231 HydrophobicContact CG-CD1 4.25Å; V229-I231 HydrophobicContact CG1-CG1 4.3Å; I231-A618 HydrophobicContact CD1-CB 3.93Å
232Q50.1Low44.1Very low160 Ų16096 Ų9675%0.74854%0.536SS*.  trans-123.6122179.7-173.1171.914.900108
233D46.6Very low42.6Very low133 Ų13396 Ų9671%0.71154%0.539SS*.  trans-60.4129.2163.5-80.4-22000107.3V235D233-V235 VanDerWaalsContact C-N 3.35Å; D233-V235 WeakPolarHBondContact O-CG2 3.45Å; D233-V235 PolarHBondContact O-N 2.88Å
234P46.2Very low41.1Very low127 Ų12799.5 Ų99.583%0.82556%0.562SS**  trans-60.6100.2-18023.5-32.1000109.2R236P234-R236 PolarHBondContact O-N 3.46Å
235V40.6Very low40.1Very low107 Ų107102.6 Ų102.665%0.64859%0.592SS**  trans-70.2119.5177.1-173.10000106.5D233 H237D233-V235 VanDerWaalsContact C-N 3.35Å; D233-V235 WeakPolarHBondContact O-CG2 3.45Å; D233-V235 PolarHBondContact O-N 2.88Å; V235-H237 PolarHBondContact O-N 3.27Å
236R34.3Very low39.3Very low188 Ų188105.3 Ų105.371%0.70961%0.61SS**  trans-58.8125.6167.3-67.2-178.4-159.5-138.70.7106.8P234 E238P234-R236 PolarHBondContact O-N 3.46Å; R236-E238 PolarHBondContact O-N 2.96Å
237H28.3Very low38.3Very low179 Ų179104.3 Ų104.383%0.82962%0.619SS**SBendtrans-54115.4-179.5-82.6-66.4000110.1V235V235-H237 PolarHBondContact O-N 3.27Å
238E30Very low37.8Very low134 Ų134106.8 Ų106.863%0.62663%0.625SS**  trans-178.4118.1146.4-99.1154.9-121.700111.5R236 F657R236-E238 PolarHBondContact O-N 2.96Å; E238-F657 HydrophobicContact CB-CE1 4.48Å; E238-F657 HydrophobicContact CB-CE2 3.61Å; E238-F657 HydrophobicContact CB-CZ 3.38Å; E238-F657 VanDerWaalsContact CD-CZ 3.43Å; E238-F657 HydrophobicContact CG-CE2 4.19Å; E238-F657 HydrophobicContact CG-CZ 3.99Å; E238-F657 WeakPolarHBondContact OE2-CD2 2.93Å; E238-F657 VanDerWaalsContact OE2-CE1 3.26Å; E238-F657 WeakPolarHBondContact OE2-CE1 3.41Å; E238-F657 WeakPolarHBondContact OE2-CE2 3.43Å; E238-F657 WeakPolarHBondContact OE2-CZ 3.19Å
239A28.7Very low36.9Very low83 Ų83111 Ų11169%0.68664%0.638SS**  trans47.7106.4156.700000121.9
240E24.4Very low36.2Very low197 Ų197119.8 Ų119.892%0.92167%0.674SS**  trans-72118.1153.5-72.3174.9159.200110.6
241I27.5Very low36.2Very low120 Ų120119.9 Ų119.962%0.61568%0.675SS**  trans-141.2132.9160.7-57.6-178.8000110.4
242S27.5Very low36.1Very low104 Ų104126 Ų12673%0.72770%0.703SS**PPolyproline II helixtrans-51.3134.6-175.757.50000116.2P244S242-P244 WeakPolarHBondContact O-CD 3.34Å
243T27.2Very low36.6Very low92 Ų92121 Ų12156%0.56468%0.683SS**PPolyproline II helixtrans-75.5123168.945.50000112.1V267T243-V267 WeakPolarHBondContact CG2-O 3.48Å
244P31.6Very low37.5Very low81 Ų81123.9 Ų123.953%0.52668%0.684SS.*PPolyproline II helixtrans-75125.9150.827.5-22000108S242 C246S242-P244 WeakPolarHBondContact O-CD 3.34Å; P244-C246 PolarHBondContact O-N 3.11Å
245A33.3Very low38.7Very low102 Ų102120.6 Ų120.684%0.84366%0.657SS**  trans-61.193.6176.100000110.3G247A245-G247 PolarHBondContact O-N 3.2Å
246C36.9Very low40.1Very low60 Ų60122.8 Ų122.841%0.40566%0.661SS.*  trans-70.5116.2169.4-174.90000107.9P244 I248P244-C246 PolarHBondContact O-N 3.11Å; C246-I248 PolarHBondContact O-N 3.42Å
247G34Very low41.8Very low57 Ų57117.9 Ų117.959%0.58865%0.648SS**  trans-59.396-173.100000113.4A245 Q249A245-G247 PolarHBondContact O-N 3.2Å; G247-Q249 PolarHBondContact O-N 3.44Å
248I38.8Very low44Very low95 Ų95110.1 Ų110.149%0.48761%0.612SS.*  trans-88.387.6162.4-56.3175.8000106.4C246C246-I248 PolarHBondContact O-N 3.42Å
249Q33.3Very low46.3Very low167 Ų167105.5 Ų105.578%0.7859%0.592SS**  trans-107.9119.7167.4-73.2-1710.600109G247 G251G247-Q249 PolarHBondContact O-N 3.44Å; Q249-G251 PolarHBondContact O-N 3.2Å
250K36.9Very low48.5Very low211 Ų211108.5 Ų108.592%0.91759%0.592SS**THydrogen-bonded Turntrans55.747.9167.3-65.8-176174.7179.70117.4E252K250-E252 PolarHBondContact O-N 2.78Å
251G49.5Very low50.6Low77 Ų77100.1 Ų100.179%0.79456%0.559SS**THydrogen-bonded Turntrans73.7-8.3158.300000117.9Q249Q249-G251 PolarHBondContact O-N 3.2Å
252E52Low53Low172 Ų17296 Ų9680%0.80454%0.536SS*.  trans-108115.3170.7-72.6-174.9160.400110K250K250-E252 PolarHBondContact O-N 2.78Å
253V60Low55.1Low55 Ų5594.8 Ų94.833%0.33353%0.525SS..  trans-89.4121.6176.7168.30000110.1Q255 L258 T278V253-Q255 PolarHBondContact O-N 3.38Å; V253-L258 HydrophobicContact CG1-CB 4.27Å; V253-L258 HydrophobicContact CG1-CD2 4.45Å; V253-T278 HydrophobicContact CB-CG2 3.84Å; V253-T278 HydrophobicContact CG1-CG2 4.42Å; V253-T278 HydrophobicContact CG2-CG2 3.23Å
254R65.5Low57.1Low194 Ų194100.1 Ų100.173%0.73254%0.535SS*.  trans-73109.7168.7-66.1-174.1-179.6-171.60.3108.8E256 L257 L258R254-E256 PolarHBondContact O-N 2.86Å; R254-L257 HydrophobicContact CB-CB 4.46Å; R254-L257 HydrophobicContact CB-CD1 4.1Å; R254-L257 HydrophobicContact CB-CG 4.23Å; R254-L257 PolarHBondContact O-N 2.82Å; R254-L257 VanDerWaalsContact O-N 3.16Å; R254-L258 PolarHBondContact O-N 3.21Å
255Q72.3Confident58.8Low58 Ų5898.9 Ų98.927%0.27152%0.523SS..Hα-helixtrans-54.7-37.3-177.5-171.563.139.300112.7V253 L257 L258 D259 G282V253-Q255 PolarHBondContact O-N 3.38Å; Q255-L257 PolarHBondContact O-N 3.03Å; Q255-L258 WeakPolarHBondContact O-CB 3.46Å; Q255-L258 PolarHBondContact O-N 3.43Å; Q255-D259 PolarHBondContact NE2-OD1 3.47Å; Q255-D259 WeakPolarHBondContact O-CB 3.34Å; Q255-D259 VanDerWaalsContact O-CG 3.23Å; Q255-D259 PolarHBondContact O-N 3.22Å; Q255-G282 PolarHBondContact NE2-O 3.34Å
256E69.7Low60.3Low153 Ų15398.7 Ų98.772%0.71552%0.516SS*.Hα-helixtrans-62.9-38.7-179.8-63.8173.9-178.700113.5R254 D259 Q260R254-E256 PolarHBondContact O-N 2.86Å; E256-D259 PolarHBondContact O-N 3.48Å; E256-Q260 WeakPolarHBondContact O-CG 3.28Å; E256-Q260 PolarHBondContact O-N 2.51Å
257L70.7Confident61.5Low85 Ų8599.4 Ų99.445%0.44552%0.518SS..Hα-helixtrans-71.7-36.9177.6-67.8177.4000110.9R254 Q255 Q260 G261R254-L257 HydrophobicContact CB-CB 4.46Å; R254-L257 HydrophobicContact CB-CD1 4.1Å; R254-L257 HydrophobicContact CB-CG 4.23Å; R254-L257 PolarHBondContact O-N 2.82Å; R254-L257 VanDerWaalsContact O-N 3.16Å; Q255-L257 PolarHBondContact O-N 3.03Å; L257-Q260 PolarHBondContact O-N 3.19Å; L257-G261 PolarHBondContact O-N 2.9Å
258L75Confident63Low15 Ų15100 Ų1008%0.07951%0.507CS..Hα-helixtrans-64.5-45.7175-167.576.6000110.5V253 R254 Q255 Q260 G261 W262 L279 G282V253-L258 HydrophobicContact CG1-CB 4.27Å; V253-L258 HydrophobicContact CG1-CD2 4.45Å; R254-L258 PolarHBondContact O-N 3.21Å; Q255-L258 WeakPolarHBondContact O-CB 3.46Å; Q255-L258 PolarHBondContact O-N 3.43Å; L258-Q260 PolarHBondContact O-N 3.43Å; L258-G261 PolarHBondContact O-N 3.46Å; L258-W262 HydrophobicContact CG-CB 4.38Å; L258-W262 WeakPolarHBondContact O-CB 3.34Å; L258-W262 PolarHBondContact O-N 3.39Å; L258-L279 HydrophobicContact CD1-CD1 4.23Å; L258-G282 VanDerWaalsContact CD2-C 3.48Å
259D76.5Confident64.1Low38 Ų3898.8 Ų98.820%0.20351%0.511CS..Hα-helixtrans-57.9-31179.2-74.1-4.1000112.9Q255 E256 P263 S286Q255-D259 PolarHBondContact NE2-OD1 3.47Å; Q255-D259 WeakPolarHBondContact O-CB 3.34Å; Q255-D259 VanDerWaalsContact O-CG 3.23Å; Q255-D259 PolarHBondContact O-N 3.22Å; E256-D259 PolarHBondContact O-N 3.48Å; D259-P263 WeakPolarHBondContact O-CD 3.04Å; D259-S286 VanDerWaalsContact CG-OG 3.24Å; D259-S286 WeakPolarHBondContact OD1-CA 3.39Å; D259-S286 WeakPolarHBondContact OD1-CB 3.26Å; D259-S286 PolarHBondContact OD1-OG 3.29Å
260Q75.4Confident65.5Low145 Ų145101.9 Ų101.968%0.67852%0.516SS*.Hα-helixtrans-77.9-35.9174.6-68.3173.818.600113.1E256 L257 L258E256-Q260 WeakPolarHBondContact O-CG 3.28Å; E256-Q260 PolarHBondContact O-N 2.51Å; L257-Q260 PolarHBondContact O-N 3.19Å; L258-Q260 PolarHBondContact O-N 3.43Å
261G69.2Low66.8Low22 Ų2293.2 Ų93.223%0.22748%0.482CS..Hα-helixtrans-92.1-39.4-171.300000114.8L257 L258 P263 R264 L265L257-G261 PolarHBondContact O-N 2.9Å; L258-G261 PolarHBondContact O-N 3.46Å; G261-P263 VanDerWaalsContact C-CD 3.45Å; G261-R264 PolarHBondContact O-N 3.31Å; G261-R264 VanDerWaalsContact O-N 3.13Å; G261-L265 PolarHBondContact O-N 3.39Å
262W77.2Confident67.6Low34 Ų3491.8 Ų91.813%0.12946%0.46CS..G310 helixtrans-63.6-33.5-170.885.4-103.4000114.4L258 R264 L265 I283 S286 A288 E293L258-W262 HydrophobicContact CG-CB 4.38Å; L258-W262 WeakPolarHBondContact O-CB 3.34Å; L258-W262 PolarHBondContact O-N 3.39Å; W262-R264 PolarHBondContact O-N 2.92Å; W262-R264 VanDerWaalsContact O-N 3.09Å; W262-L265 WeakPolarHBondContact O-CB 3.2Å; W262-L265 PolarHBondContact O-N 3.35Å; W262-I283 HydrophobicContact CD2-CG1 4.23Å; W262-I283 HydrophobicContact CE3-CG1 4.24Å; W262-I283 HydrophobicContact CE3-CG2 4.5Å; W262-I283 HydrophobicContact CG-CG1 4.35Å; W262-I283 HydrophobicContact CZ3-CG2 4.43Å; W262-S286 PolarHBondContact NE1-OG 3.37Å; W262-A288 HydrophobicContact CZ2-CB 4.3Å; W262-E293 HydrophobicContact CH2-CG 3.68Å; W262-E293 HydrophobicContact CZ2-CG 4.04Å
263P72.9Confident68.4Low77 Ų7787.1 Ų87.150%0.544%0.444SS..G310 helixtrans-63.1-19.4177.2-24.135.8000113.6D259 G261D259-P263 WeakPolarHBondContact O-CD 3.04Å; G261-P263 VanDerWaalsContact C-CD 3.45Å
264R68.8Low68.9Low205 Ų20588.9 Ų88.977%0.77446%0.456SS*.G310 helixtrans-102.1-5.3175.8-62.5-177.5178.6-1790.2112.9G261 W262 S266G261-R264 PolarHBondContact O-N 3.31Å; G261-R264 VanDerWaalsContact O-N 3.13Å; W262-R264 PolarHBondContact O-N 2.92Å; W262-R264 VanDerWaalsContact O-N 3.09Å; R264-S266 PolarHBondContact O-N 2.7Å
265L65.8Low69.3Low54 Ų5482 Ų8228%0.28343%0.433SS..  trans-82.2103.2-176.5-176.271.3000109.9G261 W262 L279G261-L265 PolarHBondContact O-N 3.39Å; W262-L265 WeakPolarHBondContact O-CB 3.2Å; W262-L265 PolarHBondContact O-N 3.35Å; L265-L279 HydrophobicContact CD2-CD1 3.74Å; L265-L279 HydrophobicContact CD2-CD2 4.03Å
266S65Low69.4Low99 Ų9980.5 Ų80.569%0.69243%0.426SS*.  trans-96.1-31.2175.2-55.70000113.4R264R264-S266 PolarHBondContact O-N 2.7Å
267V63.2Low69.8Low74 Ų7476.8 Ų76.845%0.44841%0.406SS..  trans-132.4128.8-176.2-178.60000110.1T243T243-V267 WeakPolarHBondContact CG2-O 3.48Å
268L65.7Low70.2Confident70 Ų7074.8 Ų74.837%0.36640%0.397SS..  trans-113.992170-174.674.7000109.4L279L268-L279 HydrophobicContact CD2-CD2 4.06Å
269A61.3Low70.4Confident69 Ų6975.5 Ų75.557%0.5740%0.401SS*.THydrogen-bonded Turntrans-81.5153.9-179.700000112.6S271A269-S271 PolarHBondContact O-N 2.74Å; A269-S271 VanDerWaalsContact O-N 3.09Å
270R63.2Low70.6Confident232 Ų23273.8 Ų73.888%0.87539%0.392SS*.THydrogen-bonded Turntrans50.732.5176.8-50.8-174.3-155.7-171.11.2114.5D615R270-D615 IonicContact NH2-OD2 2.73Å
271S63.9Low71Confident30 Ų3071 Ų7121%0.2138%0.378CS..  trans-76.5134.8-176.668.20000112.6A269 K276A269-S271 PolarHBondContact O-N 2.74Å; A269-S271 VanDerWaalsContact O-N 3.09Å; S271-K276 WeakPolarHBondContact OG-CE 3.48Å
272S67.1Low71.7Confident47 Ų4770.1 Ų70.133%0.32937%0.368SS..  trans-71159.1165.272.30000111.3T274 N275 K276S272-T274 PolarHBondContact O-N 2.98Å; S272-N275 WeakPolarHBondContact O-CB 3.29Å; S272-N275 PolarHBondContact O-N 3.17Å; S272-N275 PolarHBondContact OG-N 2.79Å; S272-N275 VanDerWaalsContact OG-N 3.14Å; S272-N275 PolarHBondContact OG-OD1 3.03Å; S272-N275 VanDerWaalsContact OG-OD1 3.08Å; S272-K276 PolarHBondContact O-N 2.9Å
273P68.1Low71.9Confident73 Ų7368.8 Ų68.847%0.47436%0.364SS..Hα-helixtrans-55.5-33.3173.2-26.335000113.4K276 Y277P273-K276 PolarHBondContact O-N 3.19Å; P273-Y277 PolarHBondContact O-N 3.08Å; P273-Y277 VanDerWaalsContact O-N 3.14Å
274T71.2Confident72.4Confident93 Ų9366.5 Ų66.557%0.57135%0.347SS*.Hα-helixtrans-65.8-40.8174.7-47.40000111.7S272 K276 Y277 T278S272-T274 PolarHBondContact O-N 2.98Å; T274-K276 VanDerWaalsContact C-N 3.32Å; T274-K276 PolarHBondContact O-N 3.35Å; T274-Y277 PolarHBondContact O-N 3.41Å; T274-T278 PolarHBondContact O-N 3.39Å; T274-T278 PolarHBondContact O-OG1 3.15Å
275N73.6Confident73.1Confident49 Ų4960.5 Ų60.526%0.26233%0.33SS..Hα-helixtrans-62.9-40.6177.5-65.6-4.1000111.2S272 T278 L279S272-N275 WeakPolarHBondContact O-CB 3.29Å; S272-N275 PolarHBondContact O-N 3.17Å; S272-N275 PolarHBondContact OG-N 2.79Å; S272-N275 VanDerWaalsContact OG-N 3.14Å; S272-N275 PolarHBondContact OG-OD1 3.03Å; S272-N275 VanDerWaalsContact OG-OD1 3.08Å; N275-T278 PolarHBondContact O-N 3.18Å; N275-L279 WeakPolarHBondContact O-CB 3.06Å; N275-L279 PolarHBondContact O-N 3.41Å
276K73.2Confident73.8Confident26 Ų2658.1 Ų58.111%0.11332%0.318CS..Hα-helixtrans-59.8-47.9174.8-64-179.1178.4-1790111.4S89 S271 S272 P273 T274 T278 L279 V280 A307S89-K276 PolarHBondContact OG-NZ 3.04Å; S271-K276 WeakPolarHBondContact OG-CE 3.48Å; S272-K276 PolarHBondContact O-N 2.9Å; P273-K276 PolarHBondContact O-N 3.19Å; T274-K276 VanDerWaalsContact C-N 3.32Å; T274-K276 PolarHBondContact O-N 3.35Å; K276-T278 VanDerWaalsContact C-N 3.33Å; K276-T278 PolarHBondContact O-N 2.86Å; K276-L279 PolarHBondContact O-N 3.46Å; K276-V280 WeakPolarHBondContact O-CG2 3.43Å; K276-V280 PolarHBondContact O-N 3.35Å; K276-A307 HydrophobicContact CB-CB 3.77Å
277Y79.8Confident74.4Confident76 Ų7660.9 Ų60.930%0.29832%0.317SS..Hα-helixtrans-58.7-45.1177.4171.7-88.1000112.3P273 T274 V280 K281 P306 K310P273-Y277 PolarHBondContact O-N 3.08Å; P273-Y277 VanDerWaalsContact O-N 3.14Å; T274-Y277 PolarHBondContact O-N 3.41Å; Y277-V280 PolarHBondContact O-N 3.43Å; Y277-K281 HydrophobicContact CE1-CB 4.49Å; Y277-K281 HydrophobicContact CE1-CD 4.05Å; Y277-K281 VanDerWaalsContact O-CB 3.29Å; Y277-K281 WeakPolarHBondContact O-CB 3.05Å; Y277-K281 PolarHBondContact O-N 2.64Å; Y277-P306 HydrophobicContact CD2-CB 3.93Å; Y277-P306 HydrophobicContact CD2-CG 4.38Å; Y277-P306 HydrophobicContact CG-CB 4.5Å; Y277-P306 HydrophobicContact CG-CG 4.48Å; Y277-K310 HydrophobicContact CD2-CB 3.67Å; Y277-K310 HydrophobicContact CD2-CG 3.88Å; Y277-K310 HydrophobicContact CE2-CB 3.59Å; Y277-K310 HydrophobicContact CE2-CD 3.87Å; Y277-K310 HydrophobicContact CE2-CG 3.53Å
278T79Confident74.9Confident43 Ų4360.1 Ų60.126%0.26432%0.319SS..Hα-helixtrans-67.1-38.4-178.8-55.80000111.9V253 T274 N275 K276 G282V253-T278 HydrophobicContact CB-CG2 3.84Å; V253-T278 HydrophobicContact CG1-CG2 4.42Å; V253-T278 HydrophobicContact CG2-CG2 3.23Å; T274-T278 PolarHBondContact O-N 3.39Å; T274-T278 PolarHBondContact O-OG1 3.15Å; N275-T278 PolarHBondContact O-N 3.18Å; K276-T278 VanDerWaalsContact C-N 3.33Å; K276-T278 PolarHBondContact O-N 2.86Å; T278-G282 PolarHBondContact O-N 2.97Å
279L79.2Confident75.2Confident29 Ų2958.5 Ų58.515%0.15231%0.313CS..Hα-helixtrans-61.7-51.2173.3177.663.9000110.9L258 L265 L268 N275 K276 K281 G282 I283L258-L279 HydrophobicContact CD1-CD1 4.23Å; L265-L279 HydrophobicContact CD2-CD1 3.74Å; L265-L279 HydrophobicContact CD2-CD2 4.03Å; L268-L279 HydrophobicContact CD2-CD2 4.06Å; N275-L279 WeakPolarHBondContact O-CB 3.06Å; N275-L279 PolarHBondContact O-N 3.41Å; K276-L279 PolarHBondContact O-N 3.46Å; L279-K281 PolarHBondContact O-N 3.3Å; L279-G282 PolarHBondContact O-N 2.89Å; L279-G282 VanDerWaalsContact O-N 3.15Å; L279-I283 HydrophobicContact CD1-CD1 3.93Å; L279-I283 HydrophobicContact CD1-CG1 4.19Å; L279-I283 HydrophobicContact CG-CD1 3.88Å; L279-I283 WeakPolarHBondContact O-CG1 3.5Å; L279-I283 PolarHBondContact O-N 3.46Å
280V79.8Confident75.6Confident3 Ų362.6 Ų62.62%0.01833%0.326CS..Hα-helixtrans-61-46.5-179.4169.10000111.2K276 Y277 G282 I283 I284 V295 E297 K310 A311K276-V280 WeakPolarHBondContact O-CG2 3.43Å; K276-V280 PolarHBondContact O-N 3.35Å; Y277-V280 PolarHBondContact O-N 3.43Å; V280-G282 VanDerWaalsContact C-N 3.3Å; V280-G282 PolarHBondContact O-N 3.34Å; V280-I283 PolarHBondContact O-N 3.18Å; V280-I284 HydrophobicContact CG1-CD1 3.91Å; V280-I284 VanDerWaalsContact O-CG1 3.28Å; V280-I284 WeakPolarHBondContact O-CG1 3.21Å; V280-I284 PolarHBondContact O-N 2.84Å; V280-I284 VanDerWaalsContact O-N 3.08Å; V280-V295 HydrophobicContact CG1-CG1 4.1Å; V280-V295 HydrophobicContact CG2-CG1 4.39Å; V280-E297 WeakPolarHBondContact CG2-OE2 3.39Å; V280-K310 HydrophobicContact CG1-CB 4.46Å; V280-K310 HydrophobicContact CG1-CG 4.34Å; V280-A311 HydrophobicContact CG1-CB 4Å
281K84.2Confident75.8Confident86 Ų8655.8 Ų55.837%0.37431%0.307SS..Hα-helixtrans-57.4-45.8174.6-179.5179.5176.4-170.40111.1Y277 L279 I284 D285 K310Y277-K281 HydrophobicContact CE1-CB 4.49Å; Y277-K281 HydrophobicContact CE1-CD 4.05Å; Y277-K281 VanDerWaalsContact O-CB 3.29Å; Y277-K281 WeakPolarHBondContact O-CB 3.05Å; Y277-K281 PolarHBondContact O-N 2.64Å; L279-K281 PolarHBondContact O-N 3.3Å; K281-I284 PolarHBondContact O-N 3.18Å; K281-D285 WeakPolarHBondContact CG-OD2 3.26Å; K281-D285 WeakPolarHBondContact O-CB 3.3Å; K281-D285 VanDerWaalsContact O-CG 3.31Å; K281-D285 PolarHBondContact O-N 3.16Å; K281-K310 HydrophobicContact CB-CG 4.34Å
282G82.6Confident76.4Confident3 Ų360.6 Ų60.63%0.03132%0.32CS..Hα-helixtrans-70-31.4-17800000114.1Q255 L258 T278 L279 V280 S286Q255-G282 PolarHBondContact NE2-O 3.34Å; L258-G282 VanDerWaalsContact CD2-C 3.48Å; T278-G282 PolarHBondContact O-N 2.97Å; L279-G282 PolarHBondContact O-N 2.89Å; L279-G282 VanDerWaalsContact O-N 3.15Å; V280-G282 VanDerWaalsContact C-N 3.3Å; V280-G282 PolarHBondContact O-N 3.34Å; G282-S286 WeakPolarHBondContact O-CB 3.41Å; G282-S286 PolarHBondContact O-N 3.08Å
283I83.1Confident77Confident6 Ų659.6 Ų59.63%0.03131%0.311CS..Hα-helixtrans-68.4-42.8171.8-64.1164.8000110.3T85 W262 L279 V280 D285 S286 E293 V295T85-I283 HydrophobicContact CG2-CD1 4.35Å; T85-I283 HydrophobicContact CG2-CG2 4.41Å; W262-I283 HydrophobicContact CD2-CG1 4.23Å; W262-I283 HydrophobicContact CE3-CG1 4.24Å; W262-I283 HydrophobicContact CE3-CG2 4.5Å; W262-I283 HydrophobicContact CG-CG1 4.35Å; W262-I283 HydrophobicContact CZ3-CG2 4.43Å; L279-I283 HydrophobicContact CD1-CD1 3.93Å; L279-I283 HydrophobicContact CD1-CG1 4.19Å; L279-I283 HydrophobicContact CG-CD1 3.88Å; L279-I283 WeakPolarHBondContact O-CG1 3.5Å; L279-I283 PolarHBondContact O-N 3.46Å; V280-I283 PolarHBondContact O-N 3.18Å; I283-D285 VanDerWaalsContact C-N 3.31Å; I283-D285 PolarHBondContact O-N 3.44Å; I283-S286 VanDerWaalsContact O-CB 3.29Å; I283-S286 WeakPolarHBondContact O-CB 3.46Å; I283-S286 PolarHBondContact O-N 3.1Å; I283-E293 HydrophobicContact CG2-CB 4.13Å; I283-V295 HydrophobicContact CB-CG2 3.91Å; I283-V295 HydrophobicContact CG2-CG2 3.4Å; I283-V295 VanDerWaalsContact CG2-CG2 3.4Å
284I83.4Confident77.6Confident30 Ų3056.4 Ų56.415%0.15429%0.289CS..Hα-helixtrans-61.8-40.9177-67.7166.8000111.3V280 K281 S286 V295 K310V280-I284 HydrophobicContact CG1-CD1 3.91Å; V280-I284 VanDerWaalsContact O-CG1 3.28Å; V280-I284 WeakPolarHBondContact O-CG1 3.21Å; V280-I284 PolarHBondContact O-N 2.84Å; V280-I284 VanDerWaalsContact O-N 3.08Å; K281-I284 PolarHBondContact O-N 3.18Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-V295 HydrophobicContact CD1-CB 4.49Å; I284-V295 HydrophobicContact CG1-CB 4.08Å; I284-V295 HydrophobicContact CG1-CG2 3.71Å; I284-K310 WeakPolarHBondContact CD1-O 3.29Å
285D83.7Confident78Confident79 Ų7952 Ų5242%0.42226%0.262SS..Hα-helixtrans-81.5-9.7-179.4-66.9-22.9000112.6K281 I283K281-D285 WeakPolarHBondContact CG-OD2 3.26Å; K281-D285 WeakPolarHBondContact O-CB 3.3Å; K281-D285 VanDerWaalsContact O-CG 3.31Å; K281-D285 PolarHBondContact O-N 3.16Å; I283-D285 VanDerWaalsContact C-N 3.31Å; I283-D285 PolarHBondContact O-N 3.44Å
286S80.3Confident78.1Confident3 Ų349.8 Ų49.82%0.02125%0.251CS..  trans-66.7139.3-177-170.20000112.6D259 W262 G282 I283 I284 A288D259-S286 VanDerWaalsContact CG-OG 3.24Å; D259-S286 WeakPolarHBondContact OD1-CA 3.39Å; D259-S286 WeakPolarHBondContact OD1-CB 3.26Å; D259-S286 PolarHBondContact OD1-OG 3.29Å; W262-S286 PolarHBondContact NE1-OG 3.37Å; G282-S286 WeakPolarHBondContact O-CB 3.41Å; G282-S286 PolarHBondContact O-N 3.08Å; I283-S286 VanDerWaalsContact O-CB 3.29Å; I283-S286 WeakPolarHBondContact O-CB 3.46Å; I283-S286 PolarHBondContact O-N 3.1Å; I284-S286 VanDerWaalsContact C-N 3.3Å; S286-A288 PolarHBondContact OG-N 3.41Å
287K77.6Confident78.1Confident157 Ų15748.7 Ų48.768%0.68325%0.247SC*.  trans-109.712.6174.5-63.5-178.6-175.71730113.1S289K287-S289 PolarHBondContact O-N 3.32Å
288A73.2Confident77.7Confident58 Ų5846.6 Ų46.648%0.47924%0.242SC..SBendtrans-58.6-31.4-179.400000112.8W262 S286W262-A288 HydrophobicContact CZ2-CB 4.3Å; S286-A288 PolarHBondContact OG-N 3.41Å
289S71.3Confident76.9Confident36 Ų3644.9 Ų44.925%0.25223%0.232SC..SBendtrans-110.5128.4176.3173.90000110.2K287 N291 R292 E293K287-S289 PolarHBondContact O-N 3.32Å; S289-N291 PolarHBondContact O-N 3.34Å; S289-N291 VanDerWaalsContact O-N 3.07Å; S289-R292 PolarHBondContact O-N 3Å; S289-E293 WeakPolarHBondContact CB-OE1 3.39Å; S289-E293 PolarHBondContact OG-OE1 2.87Å
290N70.2Confident76.1Confident155 Ų15545.4 Ų45.483%0.82924%0.235SC*.THydrogen-bonded Turntrans-56-27176.6-77.5-16.2000112.9R292N290-R292 VanDerWaalsContact C-N 3.33Å
291N67.1Low74.8Confident89 Ų8948.1 Ų48.148%0.47626%0.264SS..THydrogen-bonded Turntrans-82.3-12.6-176.2-75.4-9.9000113.6S289 R402 T403S289-N291 PolarHBondContact O-N 3.34Å; S289-N291 VanDerWaalsContact O-N 3.07Å; N291-R402 PolarHBondContact O-N 2.99Å; N291-T403 PolarHBondContact O-N 3.25Å
292R77.1Confident73.2Confident132 Ų13248.2 Ų48.250%0.49827%0.272SS..  trans51.9139.9-166.7-56.4-170.7-168.1-174.35.2113.2S289 N290 R402S289-R292 PolarHBondContact O-N 3Å; N290-R292 VanDerWaalsContact C-N 3.33Å; R292-R402 HydrophobicContact CB-CB 4.2Å; R292-R402 HydrophobicContact CB-CG 4.34Å
293E78.8Confident71.7Confident26 Ų2651.2 Ų51.212%0.12129%0.287CS..  trans-85.7146-174-54.9-58.1136.100111.6T84 W262 I283 S289 R402T84-E293 WeakPolarHBondContact CB-OE2 3.44Å; T84-E293 WeakPolarHBondContact OG1-CA 3.5Å; T84-E293 WeakPolarHBondContact OG1-CB 3.45Å; T84-E293 PolarHBondContact OG1-OE2 2.98Å; W262-E293 HydrophobicContact CH2-CG 3.68Å; W262-E293 HydrophobicContact CZ2-CG 4.04Å; I283-E293 HydrophobicContact CG2-CB 4.13Å; S289-E293 WeakPolarHBondContact CB-OE1 3.39Å; S289-E293 PolarHBondContact OG-OE1 2.87Å; E293-R402 VanDerWaalsContact O-CD 3.3Å; E293-R402 WeakPolarHBondContact O-CD 3.33Å
294V80.4Confident70.3Confident5 Ų561.8 Ų61.83%0.0333%0.328CS..  trans-104.8121.8168.2178.80000107.5T79 N82 T84 T85 D312 R402T79-V294 HydrophobicContact CG2-CG1 3.84Å; N82-V294 HydrophobicContact CB-CG2 4.16Å; N82-V294 WeakPolarHBondContact O-CB 3.45Å; N82-V294 WeakPolarHBondContact O-CG2 3.47Å; T84-V294 PolarHBondContact N-O 3.15Å; T84-V294 PolarHBondContact OG1-N 2.98Å; T84-V294 PolarHBondContact OG1-O 3.29Å; T85-V294 PolarHBondContact N-O 3.19Å; V294-D312 WeakPolarHBondContact CA-OD2 3.41Å; V294-D312 HydrophobicContact CG1-CB 3.82Å; V294-R402 HydrophobicContact CG2-CG 3.29Å
295V79.9Confident69.3Low0 Ų061.4 Ų61.40%033%0.328CS..EExtended strand (participates in β ladder)trans-101.8120.2-172.2-175.10000110.8T85 V280 I283 I284 D312 V313T85-V295 WeakPolarHBondContact O-CA 3.44Å; V280-V295 HydrophobicContact CG1-CG1 4.1Å; V280-V295 HydrophobicContact CG2-CG1 4.39Å; I283-V295 HydrophobicContact CB-CG2 3.91Å; I283-V295 HydrophobicContact CG2-CG2 3.4Å; I283-V295 VanDerWaalsContact CG2-CG2 3.4Å; I284-V295 HydrophobicContact CD1-CB 4.49Å; I284-V295 HydrophobicContact CG1-CB 4.08Å; I284-V295 HydrophobicContact CG1-CG2 3.71Å; V295-D312 PolarHBondContact N-OD2 3.25Å; V295-D312 WeakPolarHBondContact O-CB 3.28Å; V295-D312 PolarHBondContact O-N 3.26Å; V295-V313 PolarHBondContact O-N 3.41Å
296A76.2Confident68.8Low3 Ų360.2 Ų60.23%0.02533%0.325CS..EExtended strand (participates in β ladder)trans-103.7127.5167.500000109.7A83 T85 Q86 C87 V313A83-A296 HydrophobicContact CB-CB 4.11Å; T85-A296 PolarHBondContact O-N 2.9Å; Q86-A296 WeakPolarHBondContact CA-O 3.48Å; C87-A296 PolarHBondContact N-O 3.1Å; A296-V313 CarbonylContact C-O 3.59Å; A296-V313 VanDerWaalsContact CA-O 3.29Å; A296-V313 WeakPolarHBondContact CA-O 3.4Å; A296-V313 HydrophobicContact CB-CB 4.31Å
297E74.2Confident68.4Low4 Ų460.1 Ų60.12%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-115125.4177.2-173.8-179.3170.400111.2C87 V280 A307 P308 A311 V313 L315C87-E297 HydrophobicContact CB-CG 4.43Å; C87-E297 WeakPolarHBondContact O-CA 3.17Å; V280-E297 WeakPolarHBondContact CG2-OE2 3.39Å; E297-A307 VanDerWaalsContact CD-CB 3.45Å; E297-A307 WeakPolarHBondContact OE1-CB 3.08Å; E297-A307 VanDerWaalsContact OE2-CA 3.28Å; E297-A307 WeakPolarHBondContact OE2-CA 3.34Å; E297-A307 WeakPolarHBondContact OE2-CB 3.41Å; E297-P308 HydrophobicContact CG-CG 4.31Å; E297-A311 HydrophobicContact CB-CB 3.77Å; E297-V313 PolarHBondContact N-O 2.85Å; E297-L315 PolarHBondContact O-N 3.49Å
298T70.2Confident68.2Low32 Ų3254.1 Ų54.120%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-94.8129.1171.560.20000110.7C87 A88 S89 L315C87-T298 PolarHBondContact O-N 2.99Å; A88-T298 VanDerWaalsContact CA-OG1 3.31Å; A88-T298 WeakPolarHBondContact CA-OG1 3.33Å; S89-T298 VanDerWaalsContact CB-O 3.26Å; S89-T298 WeakPolarHBondContact CB-O 3.49Å; S89-T298 PolarHBondContact N-O 3.37Å; T298-L315 CarbonylContact C-O 3.39Å; T298-L315 WeakPolarHBondContact CA-O 3.5Å; T298-L315 HydrophobicContact CG2-CB 3.69Å; T298-L315 HydrophobicContact CG2-CD1 3.58Å; T298-L315 HydrophobicContact CG2-CG 4.26Å
299G63.1Low68.5Low6 Ų660 Ų606%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-131.1156.8175.700000111.8G301 L315 A316 M317G299-G301 PolarHBondContact O-N 3.32Å; G299-G301 VanDerWaalsContact O-N 3.13Å; G299-L315 PolarHBondContact N-O 2.93Å; G299-A316 CarbonylContact O-C 3.57Å; G299-A316 WeakPolarHBondContact O-CA 3.44Å; G299-M317 PolarHBondContact O-N 3.25Å
300D61.1Low69.1Low40 Ų4061.6 Ų61.621%0.21432%0.318CS..  trans-757-175.962.2-37.2000114.8N91 T302 N303N91-D300 WeakPolarHBondContact CB-OD1 3.48Å; N91-D300 WeakPolarHBondContact CB-OD2 3.18Å; D300-T302 PolarHBondContact O-N 3.05Å; D300-T302 PolarHBondContact OD2-OG1 2.91Å; D300-N303 PolarHBondContact OD2-ND2 3.45Å
301G53.1Low69.5Low60 Ų6054.7 Ų54.762%0.61928%0.283SS*.SBendtrans69.6-17.1172.100000116.4G299G299-G301 PolarHBondContact O-N 3.32Å; G299-G301 VanDerWaalsContact O-N 3.13Å
302T51.4Low70.2Confident89 Ų8952.9 Ų52.955%0.54627%0.273SS..SBendtrans-88.4-11-174.657.70000114.1D300D300-T302 PolarHBondContact O-N 3.05Å; D300-T302 PolarHBondContact OD2-OG1 2.91Å
303N50.2Low70.2Confident66 Ų6646.8 Ų46.835%0.35325%0.25SS..SBendtrans-123142.5-172.7-69.4-66.6000112.6N91 D300 S305N91-N303 PolarHBondContact ND2-ND2 3.12Å; D300-N303 PolarHBondContact OD2-ND2 3.45Å; N303-S305 PolarHBondContact O-N 3.49Å
304Y53.6Low69.9Low228 Ų22847.6 Ų47.689%0.89427%0.266SS*.  trans-67.842.1176.1-61.4-86.8000113.5P306Y304-P306 WeakPolarHBondContact O-CD 3.31Å
305S62Low69.4Low22 Ų2249.1 Ų49.115%0.15427%0.274CS..  trans-61.9125.7-179.8-172.60000109.6N303 A307 P308N303-S305 PolarHBondContact O-N 3.49Å; S305-A307 PolarHBondContact O-N 3.44Å; S305-A307 PolarHBondContact OG-N 3.16Å; S305-P308 WeakPolarHBondContact OG-CD 3.46Å
306P74Confident68.6Low54 Ų5452.6 Ų52.635%0.35130%0.302SS..SBendtrans-71.4-15.3175.627.1-31.6000112.3Y277 Y304 K310Y277-P306 HydrophobicContact CD2-CB 3.93Å; Y277-P306 HydrophobicContact CD2-CG 4.38Å; Y277-P306 HydrophobicContact CG-CB 4.5Å; Y277-P306 HydrophobicContact CG-CG 4.48Å; Y304-P306 WeakPolarHBondContact O-CD 3.31Å; P306-K310 PolarHBondContact O-N 3.39Å
307A72Confident67.9Low0 Ų058.2 Ų58.20%033%0.33CS..Hα-helixtrans-71.9-48.8-170.900000112.8K276 E297 S305 K309 K310 A311K276-A307 HydrophobicContact CB-CB 3.77Å; E297-A307 VanDerWaalsContact CD-CB 3.45Å; E297-A307 WeakPolarHBondContact OE1-CB 3.08Å; E297-A307 VanDerWaalsContact OE2-CA 3.28Å; E297-A307 WeakPolarHBondContact OE2-CA 3.34Å; E297-A307 WeakPolarHBondContact OE2-CB 3.41Å; S305-A307 PolarHBondContact O-N 3.44Å; S305-A307 PolarHBondContact OG-N 3.16Å; A307-K309 PolarHBondContact O-N 2.74Å; A307-K309 VanDerWaalsContact O-N 3.07Å; A307-K310 WeakPolarHBondContact O-CA 3.31Å; A307-K310 WeakPolarHBondContact O-CB 3.46Å; A307-K310 PolarHBondContact O-N 2.96Å; A307-A311 PolarHBondContact O-N 2.81Å
308P74Confident66.7Low31 Ų3160.5 Ų60.520%0.20135%0.354CS..Hα-helixtrans-61.9-23.7176.6-25.434.1000114E297 S305 G314E297-P308 HydrophobicContact CG-CG 4.31Å; S305-P308 WeakPolarHBondContact OG-CD 3.46Å; P308-G314 WeakPolarHBondContact O-CA 3.3Å
309K79.7Confident65.7Low181 Ų18163.5 Ų63.579%0.78737%0.368SS*.Hα-helixtrans-77.7-23.3173.2-69.8-177.9179.4176.10113.1A307A307-K309 PolarHBondContact O-N 2.74Å; A307-K309 VanDerWaalsContact O-N 3.07Å
310K82.6Confident65.1Low70 Ų7064.9 Ų64.930%0.30438%0.378SS..Hα-helixtrans-90.4-30179.2-177.956.9179.21660112.2Y277 V280 K281 I284 P306 A307Y277-K310 HydrophobicContact CD2-CB 3.67Å; Y277-K310 HydrophobicContact CD2-CG 3.88Å; Y277-K310 HydrophobicContact CE2-CB 3.59Å; Y277-K310 HydrophobicContact CE2-CD 3.87Å; Y277-K310 HydrophobicContact CE2-CG 3.53Å; V280-K310 HydrophobicContact CG1-CB 4.46Å; V280-K310 HydrophobicContact CG1-CG 4.34Å; K281-K310 HydrophobicContact CB-CG 4.34Å; I284-K310 WeakPolarHBondContact CD1-O 3.29Å; P306-K310 PolarHBondContact O-N 3.39Å; A307-K310 WeakPolarHBondContact O-CA 3.31Å; A307-K310 WeakPolarHBondContact O-CB 3.46Å; A307-K310 PolarHBondContact O-N 2.96Å
311A78.2Confident65Low11 Ų1164.3 Ų64.39%0.09138%0.382CS..SBendtrans-55.7153.1172.500000111.5V280 E297 A307 V313V280-A311 HydrophobicContact CG1-CB 4Å; E297-A311 HydrophobicContact CB-CB 3.77Å; A307-A311 PolarHBondContact O-N 2.81Å; A311-V313 PolarHBondContact O-N 3.07Å
312D81.8Confident65.5Low50 Ų5062.3 Ų62.327%0.26736%0.358SS..SBendtrans-63-33.8173.1-67.5-63.3000110.5T79 V294 V295 R402T79-D312 HydrophobicContact CG2-CB 3.86Å; V294-D312 WeakPolarHBondContact CA-OD2 3.41Å; V294-D312 HydrophobicContact CG1-CB 3.82Å; V295-D312 PolarHBondContact N-OD2 3.25Å; V295-D312 WeakPolarHBondContact O-CB 3.28Å; V295-D312 PolarHBondContact O-N 3.26Å; D312-R402 IonicContact OD1-CZ 3.78Å; D312-R402 IonicContact OD1-NH1 3.96Å; D312-R402 PolarHBondContact OD1-NH1 3Å; D312-R402 IonicContact OD1-NH2 3.19Å; D312-R402 IonicContact OD2-NH1 2.71Å; D312-R402 PolarHBondContact OD2-NH1 3.03Å
313V76.9Confident66.4Low4 Ų460.7 Ų60.72%0.02435%0.346CS..EExtended strand (participates in β ladder)trans-136.7117.8174-178.20000110.2A76 T79 M80 V295 A296 E297 A311 L315A76-V313 HydrophobicContact CB-CG1 4.45Å; T79-V313 HydrophobicContact CG2-CG2 3.59Å; M80-V313 HydrophobicContact CB-CG1 4.3Å; M80-V313 HydrophobicContact CB-CG2 4.26Å; M80-V313 HydrophobicContact CE-CG1 3.75Å; M80-V313 HydrophobicContact CG-CG1 4.3Å; V295-V313 PolarHBondContact O-N 3.41Å; A296-V313 CarbonylContact C-O 3.59Å; A296-V313 VanDerWaalsContact CA-O 3.29Å; A296-V313 WeakPolarHBondContact CA-O 3.4Å; A296-V313 HydrophobicContact CB-CB 4.31Å; E297-V313 PolarHBondContact N-O 2.85Å; A311-V313 PolarHBondContact O-N 3.07Å; V313-L315 HydrophobicContact CG1-CD2 4.44Å; V313-L315 HydrophobicContact CG1-CG 4.37Å
314G73.8Confident67.3Low43 Ų4357.9 Ų57.944%0.44333%0.332SS..EExtended strand (participates in β ladder)trans-94.8122.6171.800000111.4P308P308-G314 WeakPolarHBondContact O-CA 3.3Å
315L69.1Low68.4Low37 Ų3747.5 Ų47.519%0.19429%0.292CS..EExtended strand (participates in β ladder)trans-107123.2177.4-68.3169000109.3M80 E297 T298 G299 V313M80-L315 HydrophobicContact CE-CD2 3.62Å; M80-L315 HydrophobicContact SD-CD1 4.44Å; M80-L315 HydrophobicContact SD-CD2 4.02Å; E297-L315 PolarHBondContact O-N 3.49Å; T298-L315 CarbonylContact C-O 3.39Å; T298-L315 WeakPolarHBondContact CA-O 3.5Å; T298-L315 HydrophobicContact CG2-CB 3.69Å; T298-L315 HydrophobicContact CG2-CD1 3.58Å; T298-L315 HydrophobicContact CG2-CG 4.26Å; G299-L315 PolarHBondContact N-O 2.93Å; V313-L315 HydrophobicContact CG1-CD2 4.44Å; V313-L315 HydrophobicContact CG1-CG 4.37Å
316A64.1Low69.3Low73 Ų7347.9 Ų47.960%0.60329%0.292SS*.EExtended strand (participates in β ladder)trans-89.3125.6168.300000108.4G299 G318G299-A316 CarbonylContact O-C 3.57Å; G299-A316 WeakPolarHBondContact O-CA 3.44Å; A316-G318 PolarHBondContact O-N 2.95Å; A316-G318 VanDerWaalsContact O-N 3.11Å
317M60.3Low69.7Low122 Ų12245.8 Ų45.860%0.60128%0.277SS*.SBendtrans-63115.1-176.5-71.8-132.6-6400110.5G299G299-M317 PolarHBondContact O-N 3.25Å
318G49.7Very low70.2Confident51 Ų5145.8 Ų45.853%0.52628%0.277SS..SBendtrans-138.1-48.4174.200000111.4A316A316-G318 PolarHBondContact O-N 2.95Å; A316-G318 VanDerWaalsContact O-N 3.11Å
319I48.1Very low70.6Confident96 Ų9645.2 Ų45.249%0.49227%0.271SS..SBendtrans-157.4161.4176.6-73108.1000108.6N68N68-I319 HydrophobicContact CB-CD1 4.16Å
320A51.9Low70.9Confident34 Ų3436.9 Ų36.928%0.28124%0.235SC..  trans-38.7120.1-169.100000117.7H69 T322H69-A320 PolarHBondContact CE1-O 3.14Å; A320-T322 PolarHBondContact O-N 3.09Å; A320-T322 VanDerWaalsContact O-N 3.11Å
321G58Low71Confident29 Ų2933.7 Ų33.730%0.29922%0.221SC..Hα-helixtrans-67.3-8.4177.700000115.3V325G321-V325 PolarHBondContact O-N 3.22Å
322T65Low71.2Confident18 Ų1834 Ų3411%0.1122%0.22CC..Hα-helixtrans-66.4-42.1179.3530000112A320 A324 V325 M326 V658 I659A320-T322 PolarHBondContact O-N 3.09Å; A320-T322 VanDerWaalsContact O-N 3.11Å; T322-A324 VanDerWaalsContact C-N 3.32Å; T322-A324 PolarHBondContact O-N 3.12Å; T322-V325 PolarHBondContact O-N 3.44Å; T322-M326 PolarHBondContact O-N 3.37Å; T322-V658 HydrophobicContact CG2-CB 3.96Å; T322-V658 HydrophobicContact CG2-CG1 3.32Å; T322-V658 HydrophobicContact CG2-CG2 4.37Å; T322-I659 WeakPolarHBondContact CG2-O 3.19Å
323D68.5Low71.3Confident54 Ų5432 Ų3229%0.28921%0.21SC..Hα-helixtrans-70-36.9-176.8-58-11000110.3H69 V325 M326 W327H69-D323 IonicContact CE1-OD2 3.4Å; H69-D323 VanDerWaalsContact NE2-CB 3.29Å; H69-D323 WeakPolarHBondContact NE2-CB 3.35Å; H69-D323 IonicContact NE2-OD2 3.98Å; H69-D323 PolarHBondContact NE2-OD2 3.48Å; D323-V325 VanDerWaalsContact C-N 3.33Å; D323-V325 PolarHBondContact O-N 3.03Å; D323-M326 HydrophobicContact CB-CE 4.48Å; D323-M326 WeakPolarHBondContact O-CB 3.26Å; D323-M326 PolarHBondContact O-N 3.02Å; D323-W327 WeakPolarHBondContact O-CB 3.3Å; D323-W327 PolarHBondContact O-N 2.85Å
324A70.2Confident71.6Confident8 Ų831.8 Ų31.87%0.06621%0.209CC..Hα-helixtrans-67.9-34.4179.600000111.7M80 T322 G328M80-A324 HydrophobicContact CE-CB 3.76Å; M80-A324 HydrophobicContact SD-CB 3.15Å; M80-A324 WeakPolarHBondContact SD-CB 3.22Å; T322-A324 VanDerWaalsContact C-N 3.32Å; T322-A324 PolarHBondContact O-N 3.12Å; A324-G328 PolarHBondContact O-N 3.23Å
325V76.5Confident72.1Confident9 Ų930.7 Ų30.76%0.05519%0.192CC..Hα-helixtrans-66.8-43.8169.3174.20000111.3M80 G321 T322 D323 W327 G328 R329 L395M80-V325 HydrophobicContact CG-CG2 4Å; M80-V325 HydrophobicContact SD-CG2 4.43Å; G321-V325 PolarHBondContact O-N 3.22Å; T322-V325 PolarHBondContact O-N 3.44Å; D323-V325 VanDerWaalsContact C-N 3.33Å; D323-V325 PolarHBondContact O-N 3.03Å; V325-W327 PolarHBondContact O-N 3.3Å; V325-G328 PolarHBondContact O-N 3.2Å; V325-R329 HydrophobicContact CG1-CG 4.38Å; V325-R329 WeakPolarHBondContact O-CB 3.39Å; V325-R329 WeakPolarHBondContact O-CG 3.22Å; V325-R329 PolarHBondContact O-N 2.93Å; V325-L395 HydrophobicContact CG1-CD2 4.39Å
326M80.4Confident72.9Confident30 Ų3029.1 Ų29.115%0.14819%0.185CC..Hα-helixtrans-58.2-48.6177.7176.4178.262.300111.1T322 D323 R329 N330 P390 L395T322-M326 PolarHBondContact O-N 3.37Å; D323-M326 HydrophobicContact CB-CE 4.48Å; D323-M326 WeakPolarHBondContact O-CB 3.26Å; D323-M326 PolarHBondContact O-N 3.02Å; M326-R329 PolarHBondContact O-N 2.86Å; M326-N330 WeakPolarHBondContact O-CB 3.32Å; M326-N330 PolarHBondContact O-N 2.94Å; M326-P390 HydrophobicContact CE-CB 4.4Å; M326-P390 HydrophobicContact CE-CG 4.14Å; M326-P390 HydrophobicContact CG-CB 3.62Å; M326-P390 HydrophobicContact CG-CG 4.36Å; M326-P390 HydrophobicContact SD-CB 4.02Å; M326-P390 HydrophobicContact SD-CG 4.35Å; M326-L395 HydrophobicContact CB-CD2 4.03Å; M326-L395 HydrophobicContact CB-CG 4.3Å
327W83.4Confident74Confident10 Ų1026.7 Ų26.74%0.03816%0.161CC..Hα-helixtrans-62.5-42.3175.7-87.4110.5000112.7N63 M64 D67 D323 V325 R329 N330 V331 P390N63-W327 HydrophobicContact CB-CH2 3.29Å; N63-W327 HydrophobicContact CB-CZ2 3.69Å; N63-W327 HydrophobicContact CB-CZ3 4.03Å; M64-W327 HydrophobicContact CE-CB 3.5Å; M64-W327 VanDerWaalsContact CE-CB 3.5Å; M64-W327 HydrophobicContact CE-CD2 4.13Å; M64-W327 HydrophobicContact CE-CE3 4.03Å; M64-W327 HydrophobicContact CE-CG 3.95Å; M64-W327 HydrophobicContact CG-CB 3.87Å; M64-W327 HydrophobicContact CG-CD2 3.57Å; M64-W327 HydrophobicContact CG-CE3 4.16Å; M64-W327 HydrophobicContact CG-CG 3.41Å; M64-W327 VanDerWaalsContact CG-CG 3.41Å; M64-W327 HydrophobicContact SD-CB 3.66Å; M64-W327 HydrophobicContact SD-CD2 4.45Å; M64-W327 HydrophobicContact SD-CG 3.93Å; D67-W327 WeakPolarHBondContact OD2-CZ2 3.5Å; D67-W327 PolarHBondContact OD2-NE1 2.83Å; D67-W327 VanDerWaalsContact OD2-NE1 3.1Å; D323-W327 WeakPolarHBondContact O-CB 3.3Å; D323-W327 PolarHBondContact O-N 2.85Å; V325-W327 PolarHBondContact O-N 3.3Å; W327-R329 VanDerWaalsContact C-N 3.34Å; W327-R329 PolarHBondContact O-N 3.35Å; W327-N330 WeakPolarHBondContact O-CB 3.35Å; W327-N330 PolarHBondContact O-N 2.93Å; W327-V331 WeakPolarHBondContact O-CG2 3.43Å; W327-V331 PolarHBondContact O-N 3.38Å; W327-P390 HydrophobicContact CD2-CG 4.25Å; W327-P390 HydrophobicContact CE3-CG 4.45Å; W327-P390 HydrophobicContact CH2-CG 4.33Å; W327-P390 HydrophobicContact CZ2-CG 4.17Å; W327-P390 HydrophobicContact CZ3-CG 4.49Å
328G81Confident75.2Confident0 Ų021 Ų210%013%0.133CC..Hα-helixtrans-61.8-41.1175.500000113.3C77 G81 A324 V325 N330 V331 Y332C77-G328 WeakPolarHBondContact O-CA 3.41Å; G81-G328 VanDerWaalsContact CA-C 3.48Å; A324-G328 PolarHBondContact O-N 3.23Å; V325-G328 PolarHBondContact O-N 3.2Å; G328-N330 VanDerWaalsContact C-N 3.34Å; G328-V331 PolarHBondContact O-N 3.41Å; G328-Y332 PolarHBondContact O-N 2.91Å; G328-Y332 VanDerWaalsContact O-N 3.16Å
329R83.8Confident76.9Confident19 Ų1919.3 Ų19.37%0.07211%0.111CC..Hα-helixtrans-65-37.7174.1-77.4-175.2-177.7-1733.6112G81 V325 M326 W327 D333 L394 L395 R397G81-R329 WeakPolarHBondContact O-CG 3.48Å; V325-R329 HydrophobicContact CG1-CG 4.38Å; V325-R329 WeakPolarHBondContact O-CB 3.39Å; V325-R329 WeakPolarHBondContact O-CG 3.22Å; V325-R329 PolarHBondContact O-N 2.93Å; M326-R329 PolarHBondContact O-N 2.86Å; W327-R329 VanDerWaalsContact C-N 3.34Å; W327-R329 PolarHBondContact O-N 3.35Å; R329-D333 PolarHBondContact O-N 3.35Å; R329-L394 HydrophobicContact CB-CB 4.29Å; R329-L394 WeakPolarHBondContact CD-O 3.31Å; R329-L394 PolarHBondContact NH1-O 3.3Å; R329-L395 PolarHBondContact NH1-O 3Å; R329-R397 PolarHBondContact NH1-O 3.47Å; R329-R397 PolarHBondContact O-NH2 3.11Å
330N85.7Confident78.9Confident7 Ų714.8 Ų14.84%0.0379%0.088CC..Hα-helixtrans-65.4-45.6176.2-170.658.5000111.5M326 W327 G328 Y332 D333 S334 E388 P390 L394M326-N330 WeakPolarHBondContact O-CB 3.32Å; M326-N330 PolarHBondContact O-N 2.94Å; W327-N330 WeakPolarHBondContact O-CB 3.35Å; W327-N330 PolarHBondContact O-N 2.93Å; G328-N330 VanDerWaalsContact C-N 3.34Å; N330-Y332 VanDerWaalsContact C-N 3.32Å; N330-Y332 PolarHBondContact O-N 3.46Å; N330-D333 PolarHBondContact O-N 3.02Å; N330-S334 WeakPolarHBondContact O-CB 3.38Å; N330-S334 PolarHBondContact O-N 2.99Å; N330-S334 PolarHBondContact O-OG 3.01Å; N330-E388 PolarHBondContact ND2-O 3.4Å; N330-P390 HydrophobicContact CB-CB 3.91Å; N330-L394 HydrophobicContact CB-CD1 3.79Å
331V83.6Confident80.6Confident2 Ų213.2 Ų13.21%0.0128%0.075CC..Hα-helixtrans-55.4-47.1175.5166.70000111.3L57 S60 M64 W327 G328 D333 S334 I335L57-V331 HydrophobicContact CD2-CG1 3.41Å; L57-V331 VanDerWaalsContact CD2-CG1 3.41Å; L57-V331 HydrophobicContact CD2-CG2 4.43Å; L57-V331 HydrophobicContact CG-CG1 4.34Å; S60-V331 WeakPolarHBondContact OG-CG2 3.38Å; M64-V331 HydrophobicContact CE-CG2 4.39Å; W327-V331 WeakPolarHBondContact O-CG2 3.43Å; W327-V331 PolarHBondContact O-N 3.38Å; G328-V331 PolarHBondContact O-N 3.41Å; V331-D333 VanDerWaalsContact C-N 3.35Å; V331-D333 PolarHBondContact O-N 2.84Å; V331-S334 PolarHBondContact O-N 3.37Å; V331-I335 HydrophobicContact CG1-CD1 3.84Å; V331-I335 VanDerWaalsContact O-CG1 3.26Å; V331-I335 WeakPolarHBondContact O-CG1 3.49Å; V331-I335 PolarHBondContact O-N 3.3Å
332Y83.4Confident82.1Confident17 Ų1712 Ų127%0.0676%0.062CC..Hα-helixtrans-59.9-44.8178.5-176-88000112.1G328 N330 I335 A336 Y400 L406G328-Y332 PolarHBondContact O-N 2.91Å; G328-Y332 VanDerWaalsContact O-N 3.16Å; N330-Y332 VanDerWaalsContact C-N 3.32Å; N330-Y332 PolarHBondContact O-N 3.46Å; Y332-I335 PolarHBondContact O-N 3.49Å; Y332-A336 PolarHBondContact O-N 3.11Å; Y332-Y400 HydrophobicContact CD1-CD2 4Å; Y332-Y400 HydrophobicContact CD1-CE1 4.29Å; Y332-Y400 AromaticContact CD1-CE2 3.57Å; Y332-Y400 HydrophobicContact CD1-CE2 3.57Å; Y332-Y400 AromaticContact CD1-CZ 3.76Å; Y332-Y400 AromaticContact CE1-CD1 3.82Å; Y332-Y400 HydrophobicContact CE1-CD1 3.82Å; Y332-Y400 AromaticContact CE1-CD2 4Å; Y332-Y400 HydrophobicContact CE1-CD2 4Å; Y332-Y400 AromaticContact CE1-CE1 3.57Å; Y332-Y400 HydrophobicContact CE1-CE1 3.57Å; Y332-Y400 AromaticContact CE1-CE2 3.7Å; Y332-Y400 HydrophobicContact CE1-CE2 3.7Å; Y332-Y400 HydrophobicContact CE1-CG 4.08Å; Y332-Y400 AromaticContact CE1-CZ 3.5Å; Y332-Y400 HydrophobicContact CG-CE2 4.4Å; Y332-L406 HydrophobicContact CD2-CD1 4.35Å; Y332-L406 HydrophobicContact CE1-CD1 4.41Å; Y332-L406 HydrophobicContact CE2-CD1 3.6Å
333D83.9Confident83.2Confident9 Ų913.6 Ų13.65%0.0487%0.069CC..Hα-helixtrans-66.3-45.3178.6-76.710.6000111.7R329 N330 V331 I335 A336 K337 L394 R397 Y400 H477R329-D333 PolarHBondContact O-N 3.35Å; N330-D333 PolarHBondContact O-N 3.02Å; V331-D333 VanDerWaalsContact C-N 3.35Å; V331-D333 PolarHBondContact O-N 2.84Å; D333-I335 VanDerWaalsContact C-N 3.3Å; D333-I335 PolarHBondContact O-N 3.47Å; D333-A336 CarbonylContact O-C 3.18Å; D333-A336 PolarHBondContact O-N 3.49Å; D333-K337 VanDerWaalsContact O-CG 3.32Å; D333-K337 WeakPolarHBondContact O-CG 3.33Å; D333-K337 PolarHBondContact O-N 3.49Å; D333-L394 WeakPolarHBondContact OD2-CD2 3.45Å; D333-R397 IonicContact OD1-CZ 2.98Å; D333-R397 VanDerWaalsContact OD1-CZ 3.23Å; D333-R397 IonicContact OD1-NH1 3.97Å; D333-R397 PolarHBondContact OD1-NH1 3.01Å; D333-R397 IonicContact OD1-NH2 3.64Å; D333-R397 PolarHBondContact OD1-NH2 2.92Å; D333-R397 IonicContact OD2-CZ 3.99Å; D333-R397 VanDerWaalsContact OD2-CZ 3.26Å; D333-R397 IonicContact OD2-NH1 3.75Å; D333-R397 PolarHBondContact OD2-NH1 3.48Å; D333-R397 IonicContact OD2-NH2 3.64Å; D333-R397 PolarHBondContact OD2-NH2 3.4Å; D333-Y400 PolarHBondContact OD1-OH 2.88Å; D333-H477 IonicContact OD2-NE2 4Å
334S84Confident84.2Confident0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-55.8-42.6175.2-75.80000112.5N330 V331 K337 C338 P385N330-S334 WeakPolarHBondContact O-CB 3.38Å; N330-S334 PolarHBondContact O-N 2.99Å; N330-S334 PolarHBondContact O-OG 3.01Å; V331-S334 PolarHBondContact O-N 3.37Å; S334-K337 PolarHBondContact O-N 3.3Å; S334-C338 VanDerWaalsContact O-CB 3.3Å; S334-C338 WeakPolarHBondContact O-CB 3.46Å; S334-C338 PolarHBondContact O-N 2.94Å; S334-P385 PolarHBondContact OG-O 3.34Å
335I83.7Confident85Confident19 Ų1910.7 Ų10.710%0.0975%0.053CC..Hα-helixtrans-63.2-43.6174.6-67.6167.2000110.5V53 V331 Y332 D333 C338 L339V53-I335 HydrophobicContact CG1-CD1 4.06Å; V53-I335 HydrophobicContact CG1-CG1 4.14Å; V53-I335 HydrophobicContact CG2-CG1 4.31Å; V53-I335 HydrophobicContact CG2-CG2 4.2Å; V331-I335 HydrophobicContact CG1-CD1 3.84Å; V331-I335 VanDerWaalsContact O-CG1 3.26Å; V331-I335 WeakPolarHBondContact O-CG1 3.49Å; V331-I335 PolarHBondContact O-N 3.3Å; Y332-I335 PolarHBondContact O-N 3.49Å; D333-I335 VanDerWaalsContact C-N 3.3Å; D333-I335 PolarHBondContact O-N 3.47Å; I335-C338 PolarHBondContact O-N 3Å; I335-L339 HydrophobicContact CG2-CD1 3.91Å; I335-L339 HydrophobicContact CG2-CG 4.48Å; I335-L339 WeakPolarHBondContact O-CB 3.37Å; I335-L339 WeakPolarHBondContact O-CG 3.47Å; I335-L339 PolarHBondContact O-N 3.46Å
336A85.2Confident85.6Confident5 Ų510.7 Ų10.74%0.0415%0.052CC..Hα-helixtrans-66.1-37.4178.100000112.6Y332 D333 L339 Q340 M411 I476Y332-A336 PolarHBondContact O-N 3.11Å; D333-A336 CarbonylContact O-C 3.18Å; D333-A336 PolarHBondContact O-N 3.49Å; A336-L339 PolarHBondContact O-N 3.12Å; A336-Q340 PolarHBondContact O-N 3.36Å; A336-M411 VanDerWaalsContact O-CE 3.3Å; A336-M411 WeakPolarHBondContact O-CE 3.46Å; A336-I476 HydrophobicContact CB-CD1 3.46Å; A336-I476 VanDerWaalsContact CB-CD1 3.46Å
337K86.8Confident86.1Confident22 Ų2212.2 Ų12.210%0.0966%0.063CC..Hα-helixtrans-64-47.7176.1-68.2176.3-169.8-157.10110.4D333 S334 L339 Q340 F341 P385 E388 R474 I476D333-K337 VanDerWaalsContact O-CG 3.32Å; D333-K337 WeakPolarHBondContact O-CG 3.33Å; D333-K337 PolarHBondContact O-N 3.49Å; S334-K337 PolarHBondContact O-N 3.3Å; K337-L339 PolarHBondContact O-N 3.41Å; K337-Q340 PolarHBondContact O-N 3.25Å; K337-F341 PolarHBondContact O-N 3.4Å; K337-F341 VanDerWaalsContact O-N 3.11Å; K337-P385 HydrophobicContact CB-CB 3.81Å; K337-P385 HydrophobicContact CB-CG 4.49Å; K337-P385 HydrophobicContact CD-CB 4.36Å; K337-E388 VanDerWaalsContact CD-OE2 3.3Å; K337-E388 WeakPolarHBondContact CD-OE2 3.5Å; K337-E388 WeakPolarHBondContact CE-OE2 3.31Å; K337-E388 IonicContact NZ-OE2 2.85Å; K337-E388 PolarHBondContact NZ-OE2 3.06Å; K337-R474 WeakPolarHBondContact CD-O 3.21Å; K337-R474 WeakPolarHBondContact CE-O 3.17Å; K337-R474 PolarHBondContact NZ-O 2.97Å; K337-I476 HydrophobicContact CB-CD1 4.35Å; K337-I476 HydrophobicContact CG-CD1 3.55Å; K337-I476 HydrophobicContact CG-CG1 3.66Å
338C86.2Confident86.4Confident2 Ų211.7 Ų11.71%0.0146%0.061CC..Hα-helixtrans-56.9-47.6174.5168.50000111.9S334 I335 Q340 F341 Q342S334-C338 VanDerWaalsContact O-CB 3.3Å; S334-C338 WeakPolarHBondContact O-CB 3.46Å; S334-C338 PolarHBondContact O-N 2.94Å; I335-C338 PolarHBondContact O-N 3Å; C338-Q340 PolarHBondContact O-N 3.35Å; C338-F341 PolarHBondContact O-N 2.95Å; C338-Q342 WeakPolarHBondContact O-CG 2.97Å; C338-Q342 PolarHBondContact O-N 2.95Å
339L86.5Confident86.8Confident15 Ų1511.7 Ų11.78%0.0796%0.061CC..Hα-helixtrans-62.3-40.4177.1-79.7167.1000112.9L49 I335 A336 K337 F341 L343 L406 M411L49-L339 HydrophobicContact CD1-CD2 3.4Å; L49-L339 VanDerWaalsContact CD1-CD2 3.4Å; L49-L339 HydrophobicContact CD1-CG 3.91Å; L49-L339 HydrophobicContact CD2-CD2 3.58Å; L49-L339 HydrophobicContact CG-CD2 4.13Å; I335-L339 HydrophobicContact CG2-CD1 3.91Å; I335-L339 HydrophobicContact CG2-CG 4.48Å; I335-L339 WeakPolarHBondContact O-CB 3.37Å; I335-L339 WeakPolarHBondContact O-CG 3.47Å; I335-L339 PolarHBondContact O-N 3.46Å; A336-L339 PolarHBondContact O-N 3.12Å; K337-L339 PolarHBondContact O-N 3.41Å; L339-F341 VanDerWaalsContact C-N 3.35Å; L339-L343 VanDerWaalsContact O-CB 3.31Å; L339-L343 WeakPolarHBondContact O-CB 3.16Å; L339-L343 VanDerWaalsContact O-CG 3.32Å; L339-L343 WeakPolarHBondContact O-CG 3.29Å; L339-L343 PolarHBondContact O-N 2.87Å; L339-L406 HydrophobicContact CD1-CD2 3.38Å; L339-L406 HydrophobicContact CD1-CG 3.96Å; L339-M411 HydrophobicContact CB-CE 3.59Å
340Q88.9Confident87Confident2 Ų212.9 Ų12.91%0.0097%0.07CC..Hα-helixtrans-60.2-48.9178.2-178.4175.6-50.100110.1A336 K337 C338 T344 M411 I415 A473A336-Q340 PolarHBondContact O-N 3.36Å; K337-Q340 PolarHBondContact O-N 3.25Å; C338-Q340 PolarHBondContact O-N 3.35Å; Q340-T344 WeakPolarHBondContact O-CG2 3.36Å; Q340-T344 PolarHBondContact O-N 3.41Å; Q340-T344 PolarHBondContact O-OG1 2.96Å; Q340-M411 HydrophobicContact CB-CE 3.84Å; Q340-M411 HydrophobicContact CB-CG 4.19Å; Q340-M411 HydrophobicContact CG-CG 4.33Å; Q340-M411 VanDerWaalsContact N-CE 3.3Å; Q340-I415 HydrophobicContact CG-CG1 3.94Å; Q340-A473 HydrophobicContact CG-CB 4.5Å
341F88.4Confident87.3Confident1 Ų114.9 Ų14.90%0.0048%0.083CC..Hα-helixtrans-62.3-55178.6174.2-102.2000112K337 C338 L339 L343 T344 V345 A381 A382 T466 E470 A473K337-F341 PolarHBondContact O-N 3.4Å; K337-F341 VanDerWaalsContact O-N 3.11Å; C338-F341 PolarHBondContact O-N 2.95Å; L339-F341 VanDerWaalsContact C-N 3.35Å; F341-L343 PolarHBondContact O-N 3.41Å; F341-T344 PolarHBondContact O-N 3.15Å; F341-T344 VanDerWaalsContact O-N 3.13Å; F341-T344 PolarHBondContact O-OG1 3.49Å; F341-V345 HydrophobicContact CE1-CG2 4.38Å; F341-V345 HydrophobicContact CE2-CG2 4.04Å; F341-V345 HydrophobicContact CZ-CG2 3.97Å; F341-V345 PolarHBondContact O-N 3.29Å; F341-A381 HydrophobicContact CD1-CB 4.37Å; F341-A381 HydrophobicContact CE1-CB 3.4Å; F341-A381 HydrophobicContact CE2-CB 4.24Å; F341-A381 HydrophobicContact CZ-CB 3.31Å; F341-A382 HydrophobicContact CD1-CB 4.46Å; F341-T466 HydrophobicContact CE2-CG2 3.65Å; F341-T466 WeakPolarHBondContact CE2-O 3.18Å; F341-T466 HydrophobicContact CZ-CG2 3.48Å; F341-T466 VanDerWaalsContact CZ-CG2 3.48Å; F341-E470 HydrophobicContact CD2-CB 4.09Å; F341-E470 HydrophobicContact CD2-CG 4.49Å; F341-E470 HydrophobicContact CE2-CB 3.78Å; F341-E470 HydrophobicContact CE2-CG 4.32Å; F341-A473 HydrophobicContact CB-CB 3.84Å; F341-A473 HydrophobicContact CD2-CB 4.48Å
342Q88.4Confident87.5Confident3 Ų314.8 Ų14.81%0.0148%0.082CC..Hα-helixtrans-66.2-37-174.2-71.8-176.6-13.900113.1G48 C338 T344 N346 D378 A382G48-Q342 VanDerWaalsContact C-NE2 3.25Å; G48-Q342 PolarHBondContact O-NE2 3.14Å; C338-Q342 WeakPolarHBondContact O-CG 2.97Å; C338-Q342 PolarHBondContact O-N 2.95Å; Q342-T344 VanDerWaalsContact C-N 3.31Å; Q342-T344 PolarHBondContact O-N 3.48Å; Q342-N346 VanDerWaalsContact O-CB 3.31Å; Q342-N346 WeakPolarHBondContact O-CB 3.39Å; Q342-N346 PolarHBondContact O-N 3.35Å; Q342-N346 PolarHBondContact O-ND2 3.34Å; Q342-D378 PolarHBondContact NE2-O 2.85Å; Q342-A382 HydrophobicContact CG-CB 3.96Å
343L87.7Confident87.6Confident52 Ų5214.1 Ų14.127%0.2728%0.08SC..Hα-helixtrans-68.5-31.8176.6-71.6173.9000112.2L339 F341 V347 F407 I415L339-L343 VanDerWaalsContact O-CB 3.31Å; L339-L343 WeakPolarHBondContact O-CB 3.16Å; L339-L343 VanDerWaalsContact O-CG 3.32Å; L339-L343 WeakPolarHBondContact O-CG 3.29Å; L339-L343 PolarHBondContact O-N 2.87Å; F341-L343 PolarHBondContact O-N 3.41Å; L343-V347 WeakPolarHBondContact O-CB 3.44Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 3.2Å; L343-V347 VanDerWaalsContact O-N 3.1Å; L343-F407 HydrophobicContact CD1-CD1 4.36Å; L343-F407 HydrophobicContact CD1-CE1 3.28Å; L343-F407 HydrophobicContact CD1-CZ 3.59Å; L343-I415 HydrophobicContact CB-CD1 4.38Å; L343-I415 HydrophobicContact CD1-CD1 4.33Å
344T89.6Confident87.6Confident0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-63.7-51.7174.348.10000111.8Q340 F341 Q342 N346 V347 V348 I415 N418 N419 N469Q340-T344 WeakPolarHBondContact O-CG2 3.36Å; Q340-T344 PolarHBondContact O-N 3.41Å; Q340-T344 PolarHBondContact O-OG1 2.96Å; F341-T344 PolarHBondContact O-N 3.15Å; F341-T344 VanDerWaalsContact O-N 3.13Å; F341-T344 PolarHBondContact O-OG1 3.49Å; Q342-T344 VanDerWaalsContact C-N 3.31Å; Q342-T344 PolarHBondContact O-N 3.48Å; T344-N346 PolarHBondContact O-N 3.04Å; T344-V347 PolarHBondContact O-N 3.05Å; T344-V348 WeakPolarHBondContact O-CG2 3.42Å; T344-V348 PolarHBondContact O-N 3.44Å; T344-V348 VanDerWaalsContact O-N 3.15Å; T344-I415 HydrophobicContact CG2-CB 4.03Å; T344-I415 HydrophobicContact CG2-CG1 4.06Å; T344-I415 HydrophobicContact CG2-CG2 3.84Å; T344-N418 HydrophobicContact CG2-CB 4.26Å; T344-N419 WeakPolarHBondContact CA-OD1 3.31Å; T344-N419 WeakPolarHBondContact CB-OD1 3.46Å; T344-N419 PolarHBondContact O-OD1 2.9Å; T344-N469 PolarHBondContact OG1-ND2 3.3Å
345V88.3Confident87.7Confident0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-62.9-46.3-178.6-176.90000111F341 V347 V348 A349 V373 D378 F462 T466F341-V345 HydrophobicContact CE1-CG2 4.38Å; F341-V345 HydrophobicContact CE2-CG2 4.04Å; F341-V345 HydrophobicContact CZ-CG2 3.97Å; F341-V345 PolarHBondContact O-N 3.29Å; V345-V347 PolarHBondContact O-N 3Å; V345-V348 PolarHBondContact O-N 3.03Å; V345-A349 WeakPolarHBondContact O-CB 3.48Å; V345-A349 PolarHBondContact O-N 3.33Å; V345-V373 HydrophobicContact CG1-CG1 4Å; V345-D378 WeakPolarHBondContact CG1-OD1 3.28Å; V345-F462 HydrophobicContact CG1-CZ 4.03Å; V345-T466 HydrophobicContact CG1-CG2 4.43Å; V345-T466 HydrophobicContact CG2-CG2 3.52Å
346N88.6Confident87.6Confident10 Ų1018.5 Ų18.55%0.05310%0.102CC..Hα-helixtrans-64.6-40.9-178.7-76.1-56000113V43 P46 Q342 T344 A349 V350 N374V43-N346 PolarHBondContact O-OD1 3.06Å; P46-N346 WeakPolarHBondContact CB-ND2 3.34Å; Q342-N346 VanDerWaalsContact O-CB 3.31Å; Q342-N346 WeakPolarHBondContact O-CB 3.39Å; Q342-N346 PolarHBondContact O-N 3.35Å; Q342-N346 PolarHBondContact O-ND2 3.34Å; T344-N346 PolarHBondContact O-N 3.04Å; N346-A349 PolarHBondContact O-N 3.42Å; N346-V350 WeakPolarHBondContact O-CB 3.26Å; N346-V350 VanDerWaalsContact O-CG2 3.27Å; N346-V350 WeakPolarHBondContact O-CG2 3.5Å; N346-V350 PolarHBondContact O-N 2.96Å; N346-N374 PolarHBondContact OD1-ND2 3.3Å
347V90.3Very high87.4Confident61 Ų6118.4 Ų18.437%0.3710%0.102SC..Hα-helixtrans-64.7-44.8178169.80000110.9L343 T344 V345 V351 N419L343-V347 WeakPolarHBondContact O-CB 3.44Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 3.2Å; L343-V347 VanDerWaalsContact O-N 3.1Å; T344-V347 PolarHBondContact O-N 3.05Å; V345-V347 PolarHBondContact O-N 3Å; V347-V351 HydrophobicContact CG1-CG2 4.46Å; V347-V351 WeakPolarHBondContact O-CB 3.43Å; V347-V351 VanDerWaalsContact O-CG2 3.25Å; V347-V351 WeakPolarHBondContact O-CG2 3.48Å; V347-V351 PolarHBondContact O-N 3.13Å; V347-N419 WeakPolarHBondContact CB-ND2 3.45Å; V347-N419 WeakPolarHBondContact CG1-ND2 3.32Å
348V91.3Very high87.1Confident0 Ų019.1 Ų19.10%011%0.109CC..Hα-helixtrans-63.6-46.3178.1175.50000110.3T344 V345 V350 V351 V352 N419 Q422 L423 F462T344-V348 WeakPolarHBondContact O-CG2 3.42Å; T344-V348 PolarHBondContact O-N 3.44Å; T344-V348 VanDerWaalsContact O-N 3.15Å; V345-V348 PolarHBondContact O-N 3.03Å; V348-V350 PolarHBondContact O-N 3.09Å; V348-V351 PolarHBondContact O-N 3.49Å; V348-V352 HydrophobicContact CG1-CG2 4.07Å; V348-V352 WeakPolarHBondContact O-CB 3.41Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.47Å; V348-N419 HydrophobicContact CG2-CB 4.08Å; V348-Q422 HydrophobicContact CG1-CB 4.04Å; V348-Q422 HydrophobicContact CG2-CB 3.86Å; V348-L423 HydrophobicContact CG1-CD2 4.22Å; V348-L423 HydrophobicContact CG2-CG 4.43Å; V348-F462 HydrophobicContact CB-CE2 4.36Å; V348-F462 HydrophobicContact CG1-CD2 4.38Å; V348-F462 HydrophobicContact CG1-CE2 3.73Å
349A88.5Confident86.9Confident0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-58.1-47179.200000112.5V43 V345 N346 A353 M370 F462V43-A349 HydrophobicContact CG1-CB 3.48Å; V43-A349 VanDerWaalsContact CG1-CB 3.48Å; V345-A349 WeakPolarHBondContact O-CB 3.48Å; V345-A349 PolarHBondContact O-N 3.33Å; N346-A349 PolarHBondContact O-N 3.42Å; A349-A353 VanDerWaalsContact O-CB 3.22Å; A349-A353 WeakPolarHBondContact O-CB 3.3Å; A349-A353 PolarHBondContact O-N 3.5Å; A349-M370 HydrophobicContact CB-CE 3.65Å; A349-F462 HydrophobicContact CB-CZ 4.31Å
350V88.4Confident86.4Confident43 Ų4320.3 Ų20.326%0.26112%0.12SC..Hα-helixtrans-65-45178.1171.70000111.6V43 A44 N346 V348 A353 F354V43-V350 HydrophobicContact CG1-CG2 4.05Å; A44-V350 HydrophobicContact CB-CG2 3.8Å; N346-V350 WeakPolarHBondContact O-CB 3.26Å; N346-V350 VanDerWaalsContact O-CG2 3.27Å; N346-V350 WeakPolarHBondContact O-CG2 3.5Å; N346-V350 PolarHBondContact O-N 2.96Å; V348-V350 PolarHBondContact O-N 3.09Å; V350-A353 PolarHBondContact O-N 2.92Å; V350-F354 VanDerWaalsContact O-CB 3.23Å; V350-F354 WeakPolarHBondContact O-CB 3.45Å; V350-F354 PolarHBondContact O-N 3.5Å
351V90.3Very high85.6Confident49 Ų4923 Ų2330%0.29713%0.133SC..Hα-helixtrans-67.7-41.7-178.61720000111.1V347 V348 F354 T355 L423 F427V347-V351 HydrophobicContact CG1-CG2 4.46Å; V347-V351 WeakPolarHBondContact O-CB 3.43Å; V347-V351 VanDerWaalsContact O-CG2 3.25Å; V347-V351 WeakPolarHBondContact O-CG2 3.48Å; V347-V351 PolarHBondContact O-N 3.13Å; V348-V351 PolarHBondContact O-N 3.49Å; V351-F354 PolarHBondContact O-N 3.5Å; V351-T355 WeakPolarHBondContact O-CB 3.38Å; V351-T355 PolarHBondContact O-N 3.29Å; V351-T355 PolarHBondContact O-OG1 3.2Å; V351-T355 VanDerWaalsContact O-OG1 3.11Å; V351-L423 HydrophobicContact CB-CD1 4.48Å; V351-L423 HydrophobicContact CB-CD2 3.84Å; V351-L423 HydrophobicContact CG1-CD1 4.01Å; V351-L423 HydrophobicContact CG1-CD2 3.51Å; V351-L423 HydrophobicContact CG1-CG 4.43Å; V351-F427 HydrophobicContact CG1-CE2 4.41Å; V351-F427 HydrophobicContact CG1-CZ 3.96Å
352V89Confident84.8Confident1 Ų125 Ų251%0.00614%0.144CC..Hα-helixtrans-64.7-45176.4170.40000110.9V348 F354 G356 P364 L365 L423 I426V348-V352 HydrophobicContact CG1-CG2 4.07Å; V348-V352 WeakPolarHBondContact O-CB 3.41Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.47Å; V352-F354 VanDerWaalsContact C-N 3.35Å; V352-F354 PolarHBondContact O-N 3.35Å; V352-G356 WeakPolarHBondContact O-CA 3.31Å; V352-G356 PolarHBondContact O-N 3.29Å; V352-P364 HydrophobicContact CG1-CG 3.72Å; V352-L365 HydrophobicContact CG1-CD1 4.21Å; V352-L423 HydrophobicContact CG2-CD2 3.9Å; V352-I426 HydrophobicContact CB-CG2 4.42Å; V352-I426 HydrophobicContact CG1-CG2 3.85Å; V352-I426 HydrophobicContact CG2-CB 4.23Å; V352-I426 HydrophobicContact CG2-CG2 3.61Å
353A84.5Confident84.1Confident3 Ų325.4 Ų25.43%0.02515%0.147CC..Hα-helixtrans-65.9-38.5178.400000111.8V40 A349 V350 A357 M370V40-A353 HydrophobicContact CG2-CB 3.79Å; A349-A353 VanDerWaalsContact O-CB 3.22Å; A349-A353 WeakPolarHBondContact O-CB 3.3Å; A349-A353 PolarHBondContact O-N 3.5Å; V350-A353 PolarHBondContact O-N 2.92Å; A353-A357 VanDerWaalsContact O-CB 3.26Å; A353-A357 WeakPolarHBondContact O-CB 3.36Å; A353-A357 PolarHBondContact O-N 2.98Å; A353-M370 HydrophobicContact CB-CE 4.48Å
354F85.3Confident83.4Confident75 Ų7523 Ų2333%0.32913%0.134SC..Hα-helixtrans-66.2-52.9175.8177.2-114.3000112.6T2 I5 V350 V351 V352 G356 A357 C358T2-F354 HydrophobicContact CG2-CD2 3.35Å; T2-F354 HydrophobicContact CG2-CE2 3.83Å; T2-F354 HydrophobicContact CG2-CG 4.42Å; I5-F354 HydrophobicContact CD1-CE2 3.97Å; I5-F354 HydrophobicContact CD1-CZ 4Å; V350-F354 VanDerWaalsContact O-CB 3.23Å; V350-F354 WeakPolarHBondContact O-CB 3.45Å; V350-F354 PolarHBondContact O-N 3.5Å; V351-F354 PolarHBondContact O-N 3.5Å; V352-F354 VanDerWaalsContact C-N 3.35Å; V352-F354 PolarHBondContact O-N 3.35Å; F354-G356 VanDerWaalsContact C-N 3.33Å; F354-G356 PolarHBondContact O-N 3.49Å; F354-A357 PolarHBondContact O-N 2.87Å; F354-C358 VanDerWaalsContact CE2-SG 3.59Å; F354-C358 WeakPolarHBondContact O-CB 3.35Å; F354-C358 PolarHBondContact O-N 3.23Å; F354-C358 PolarHBondContact O-SG 3.3Å
355T86.3Confident82.8Confident42 Ų4223.1 Ų23.126%0.25813%0.134SC..Hα-helixtrans-66.6-37.7-179.7-60.90000111.2V351 C358 A359 F427V351-T355 WeakPolarHBondContact O-CB 3.38Å; V351-T355 PolarHBondContact O-N 3.29Å; V351-T355 PolarHBondContact O-OG1 3.2Å; V351-T355 VanDerWaalsContact O-OG1 3.11Å; T355-C358 PolarHBondContact O-N 3.16Å; T355-A359 VanDerWaalsContact O-CB 3.25Å; T355-A359 WeakPolarHBondContact O-CB 3.41Å; T355-A359 PolarHBondContact O-N 3.42Å; T355-F427 HydrophobicContact CG2-CD1 4.34Å; T355-F427 HydrophobicContact CG2-CE1 3.56Å; T355-F427 HydrophobicContact CG2-CZ 3.81Å
356G81.9Confident82Confident2 Ų227.6 Ų27.62%0.02115%0.154CC..Hα-helixtrans-56.9-53.4172.700000111.8V352 F354 C358 A359 I360 D362V352-G356 WeakPolarHBondContact O-CA 3.31Å; V352-G356 PolarHBondContact O-N 3.29Å; F354-G356 VanDerWaalsContact C-N 3.33Å; F354-G356 PolarHBondContact O-N 3.49Å; G356-C358 VanDerWaalsContact C-N 3.28Å; G356-C358 PolarHBondContact O-N 3.32Å; G356-A359 PolarHBondContact O-N 3.1Å; G356-I360 PolarHBondContact O-N 3.48Å; G356-D362 CarbonylContact C-O 3.41Å
357A79.3Confident81.1Confident4 Ų429 Ų293%0.03317%0.167CC..Hα-helixtrans-60.4-36.7176.800000112.7V6 I36 A353 F354V6-A357 HydrophobicContact CG2-CB 3.95Å; I36-A357 HydrophobicContact CG2-CB 4.01Å; A353-A357 VanDerWaalsContact O-CB 3.26Å; A353-A357 WeakPolarHBondContact O-CB 3.36Å; A353-A357 PolarHBondContact O-N 2.98Å; F354-A357 PolarHBondContact O-N 2.87Å
358C80.5Confident80.2Confident36 Ų3631.4 Ų31.424%0.24318%0.177CC..Hα-helixtrans-74.7-31.4178.5-66.90000113.5R9 F354 T355 G356R9-C358 PolarHBondContact NH1-O 3.2Å; F354-C358 VanDerWaalsContact CE2-SG 3.59Å; F354-C358 WeakPolarHBondContact O-CB 3.35Å; F354-C358 PolarHBondContact O-N 3.23Å; F354-C358 PolarHBondContact O-SG 3.3Å; T355-C358 PolarHBondContact O-N 3.16Å; G356-C358 VanDerWaalsContact C-N 3.28Å; G356-C358 PolarHBondContact O-N 3.32Å
359A82.5Confident79.7Confident34 Ų3431.9 Ų31.928%0.28118%0.179SC..Hα-helixtrans-95.6-45.3-174.500000113R9 T355 G356 F431R9-A359 PolarHBondContact NH1-O 3.44Å; T355-A359 VanDerWaalsContact O-CB 3.25Å; T355-A359 WeakPolarHBondContact O-CB 3.41Å; T355-A359 PolarHBondContact O-N 3.42Å; G356-A359 PolarHBondContact O-N 3.1Å; A359-F431 HydrophobicContact CB-CE1 4.12Å; A359-F431 HydrophobicContact CB-CZ 3.89Å
360I77.1Confident79.1Confident9 Ų931.9 Ų31.95%0.04618%0.18CC..Hα-helixtrans-106.3-3.4-166.3-63.5164000112.2G356 D362 V430 R443G356-I360 PolarHBondContact O-N 3.48Å; I360-D362 HydrophobicContact CG2-CB 4.45Å; I360-D362 PolarHBondContact O-N 3.29Å; I360-V430 HydrophobicContact CD1-CG1 3.38Å; I360-R443 HydrophobicContact CD1-CG 4Å; I360-R443 HydrophobicContact CG1-CG 4.32Å; I360-R443 HydrophobicContact CG2-CB 3.83Å; I360-R443 HydrophobicContact CG2-CG 4.23Å; I360-R443 WeakPolarHBondContact CG2-O 3.13Å
361E70.6Confident78.5Confident59 Ų5933.5 Ų33.528%0.27619%0.186SC..SBendtrans59.53.2-171.1-49.6-172.3150.800114.2
362D71.6Confident78Confident43 Ų4332.1 Ų32.123%0.2318%0.176CC..SBendtrans-138.8154.7173.5-149.1-10.5000109.3K32 G356 I360K32-D362 WeakPolarHBondContact CE-OD1 3.46Å; K32-D362 VanDerWaalsContact CE-OD2 3.31Å; K32-D362 WeakPolarHBondContact CE-OD2 3.27Å; K32-D362 IonicContact NZ-OD1 3.29Å; K32-D362 IonicContact NZ-OD2 2.92Å; K32-D362 PolarHBondContact NZ-OD2 3.27Å; G356-D362 CarbonylContact C-O 3.41Å; I360-D362 HydrophobicContact CG2-CB 4.45Å; I360-D362 PolarHBondContact O-N 3.29Å
363S74.9Confident77.5Confident11 Ų1132.1 Ų32.18%0.07718%0.176CC..  trans-80131.1172.6175.70000108.9L365S363-L365 WeakPolarHBondContact CB-O 3.4Å; S363-L365 PolarHBondContact O-N 2.86Å; S363-L365 PolarHBondContact OG-N 3.07Å; S363-L365 PolarHBondContact OG-O 3.19Å
364P72.7Confident77.1Confident1 Ų132.6 Ų32.61%0.00618%0.178CC..SBendtrans-61.1-19.4176.926.8-35.8000112.4V352 V430 F455V352-P364 HydrophobicContact CG1-CG 3.72Å; P364-V430 HydrophobicContact CB-CG2 4.01Å; P364-V430 HydrophobicContact CG-CG2 4.21Å; P364-F455 HydrophobicContact CB-CD1 4.32Å; P364-F455 HydrophobicContact CB-CE1 4.2Å; P364-F455 WeakPolarHBondContact O-CD1 3.49Å
365L75.9Confident76.6Confident2 Ų232.8 Ų32.81%0.0118%0.182CC..SBendtrans-112.3120.9175.4-61.7169.3000108.5V352 S363 M370 I458 F459 F462V352-L365 HydrophobicContact CG1-CD1 4.21Å; S363-L365 WeakPolarHBondContact CB-O 3.4Å; S363-L365 PolarHBondContact O-N 2.86Å; S363-L365 PolarHBondContact OG-N 3.07Å; S363-L365 PolarHBondContact OG-O 3.19Å; L365-M370 HydrophobicContact CB-CG 3.57Å; L365-M370 HydrophobicContact CB-SD 3.39Å; L365-M370 WeakPolarHBondContact CB-SD 2.94Å; L365-M370 HydrophobicContact CD1-CE 4.38Å; L365-M370 HydrophobicContact CD1-SD 3.28Å; L365-M370 WeakPolarHBondContact CD1-SD 3.46Å; L365-M370 HydrophobicContact CG-SD 3.92Å; L365-I458 HydrophobicContact CD2-CG2 4.24Å; L365-F459 HydrophobicContact CD2-CB 4.07Å; L365-F459 HydrophobicContact CD2-CD2 4.2Å; L365-F462 HydrophobicContact CD1-CD1 4.25Å; L365-F462 HydrophobicContact CD1-CE1 4.47Å
366K72.3Confident76.1Confident94 Ų9434 Ų3441%0.40919%0.186SC..  trans-64150178.9-70.7-175.9177.9179.90110L368 Q369 M370K366-L368 PolarHBondContact O-N 2.54Å; K366-L368 VanDerWaalsContact O-N 3.13Å; K366-Q369 HydrophobicContact CB-CG 4.42Å; K366-Q369 WeakPolarHBondContact O-CB 3.34Å; K366-Q369 PolarHBondContact O-N 2.89Å; K366-M370 PolarHBondContact O-N 2.8Å
367A69.8Low76Confident41 Ų4134.2 Ų34.234%0.33919%0.187SC..Hα-helixtrans-53.2-39.4-177.800000113.8T39 M370 L371T39-A367 HydrophobicContact CG2-CB 3.81Å; T39-A367 VanDerWaalsContact OG1-CB 3.3Å; T39-A367 WeakPolarHBondContact OG1-CB 3.3Å; A367-M370 PolarHBondContact O-N 3.21Å; A367-L371 WeakPolarHBondContact O-CB 3.42Å; A367-L371 PolarHBondContact O-N 3.07Å
368L72.4Confident76.1Confident110 Ų11034.2 Ų34.258%0.57619%0.186SC*.Hα-helixtrans-66.1-39.3177-174.966.7000112.8K366 L371 W372K366-L368 PolarHBondContact O-N 2.54Å; K366-L368 VanDerWaalsContact O-N 3.13Å; L368-L371 PolarHBondContact O-N 3.44Å; L368-W372 WeakPolarHBondContact O-CB 3.33Å; L368-W372 PolarHBondContact O-N 3.46Å
369Q80.3Confident76.2Confident10 Ų1033.9 Ų33.95%0.04718%0.181CC..Hα-helixtrans-68-42.8178.4-71.6171.6-22.200110.7K366 W372 V373 F459K366-Q369 HydrophobicContact CB-CG 4.42Å; K366-Q369 WeakPolarHBondContact O-CB 3.34Å; K366-Q369 PolarHBondContact O-N 2.89Å; Q369-W372 PolarHBondContact O-N 3.28Å; Q369-V373 WeakPolarHBondContact O-CG2 3.44Å; Q369-V373 PolarHBondContact O-N 3.15Å; Q369-V373 VanDerWaalsContact O-N 3.1Å; Q369-F459 HydrophobicContact CB-CD2 3.81Å; Q369-F459 HydrophobicContact CB-CE2 3.71Å; Q369-F459 HydrophobicContact CB-CZ 4.49Å; Q369-F459 HydrophobicContact CG-CD2 4.11Å; Q369-F459 HydrophobicContact CG-CE2 4.09Å; Q369-F459 HydrophobicContact CG-CZ 4.48Å
370M75.9Confident76.2Confident1 Ų137.2 Ų37.21%0.00519%0.19CC..Hα-helixtrans-62.8-43.6174.9-69.9-62.7-75.700112.2T39 V43 A349 A353 L365 K366 A367 W372 V373 N374T39-M370 HydrophobicContact CG2-CB 4.25Å; V43-M370 HydrophobicContact CB-CE 4.28Å; V43-M370 HydrophobicContact CG1-CE 3.64Å; V43-M370 HydrophobicContact CG2-CB 3.9Å; V43-M370 HydrophobicContact CG2-CE 3.68Å; A349-M370 HydrophobicContact CB-CE 3.65Å; A353-M370 HydrophobicContact CB-CE 4.48Å; L365-M370 HydrophobicContact CB-CG 3.57Å; L365-M370 HydrophobicContact CB-SD 3.39Å; L365-M370 WeakPolarHBondContact CB-SD 2.94Å; L365-M370 HydrophobicContact CD1-CE 4.38Å; L365-M370 HydrophobicContact CD1-SD 3.28Å; L365-M370 WeakPolarHBondContact CD1-SD 3.46Å; L365-M370 HydrophobicContact CG-SD 3.92Å; K366-M370 PolarHBondContact O-N 2.8Å; A367-M370 PolarHBondContact O-N 3.21Å; M370-W372 VanDerWaalsContact C-N 3.29Å; M370-W372 PolarHBondContact O-N 3.36Å; M370-V373 PolarHBondContact O-N 3.44Å; M370-N374 PolarHBondContact O-N 3.12Å; M370-N374 PolarHBondContact O-OD1 3Å
371L75.9Confident76.2Confident76 Ų7636.8 Ų36.840%0.39819%0.188SC..Hα-helixtrans-61.2-40.8176.4-177.467.4000111.3V42 A367 L368 N374 L375V42-L371 HydrophobicContact CG1-CD1 4.3Å; A367-L371 WeakPolarHBondContact O-CB 3.42Å; A367-L371 PolarHBondContact O-N 3.07Å; L368-L371 PolarHBondContact O-N 3.44Å; L371-N374 PolarHBondContact O-N 3.28Å; L371-L375 HydrophobicContact CD1-CB 4.47Å; L371-L375 HydrophobicContact CD1-CD1 4.38Å; L371-L375 WeakPolarHBondContact O-CB 3.36Å; L371-L375 PolarHBondContact O-N 3.16Å
372W79.7Confident76.5Confident21 Ų2134 Ų348%0.0818%0.175CC..Hα-helixtrans-62.5-42.3177.117882.7000112.3L368 Q369 M370 I376 M377 F459 V463 A502 F508L368-W372 WeakPolarHBondContact O-CB 3.33Å; L368-W372 PolarHBondContact O-N 3.46Å; Q369-W372 PolarHBondContact O-N 3.28Å; M370-W372 VanDerWaalsContact C-N 3.29Å; M370-W372 PolarHBondContact O-N 3.36Å; W372-I376 WeakPolarHBondContact O-CB 3.12Å; W372-I376 PolarHBondContact O-N 3.32Å; W372-M377 HydrophobicContact CE3-CE 4.05Å; W372-M377 HydrophobicContact CH2-CE 3.52Å; W372-M377 HydrophobicContact CZ3-CE 3.14Å; W372-M377 PolarHBondContact O-N 3.21Å; W372-F459 HydrophobicContact CE3-CE2 4.14Å; W372-F459 AromaticContact CE3-CZ 3.73Å; W372-F459 HydrophobicContact CE3-CZ 3.73Å; W372-F459 HydrophobicContact CZ3-CE2 4.35Å; W372-F459 AromaticContact CZ3-CZ 3.77Å; W372-F459 HydrophobicContact CZ3-CZ 3.77Å; W372-V463 HydrophobicContact CH2-CG1 4.39Å; W372-V463 HydrophobicContact CZ3-CG1 4.33Å; W372-V463 HydrophobicContact CZ3-CG2 3.83Å; W372-A502 HydrophobicContact CZ2-CB 4.03Å; W372-F508 HydrophobicContact CB-CE1 4.33Å; W372-F508 AromaticContact CD1-CE1 3.27Å; W372-F508 AromaticContact CD1-CZ 3.36Å; W372-F508 HydrophobicContact CD2-CE1 4.29Å; W372-F508 HydrophobicContact CD2-CZ 4.27Å; W372-F508 AromaticContact CE2-CZ 3.78Å; W372-F508 HydrophobicContact CG-CD1 4.33Å; W372-F508 AromaticContact CG-CE1 3.72Å; W372-F508 HydrophobicContact CG-CE1 3.72Å; W372-F508 HydrophobicContact CG-CZ 4.05Å; W372-F508 HydrophobicContact CZ2-CE2 4.46Å; W372-F508 AromaticContact NE1-CE1 3.64Å; W372-F508 AromaticContact NE1-CE2 3.94Å; W372-F508 AromaticContact NE1-CZ 3.18Å
373V78.3Confident76.9Confident1 Ų133.4 Ų33.41%0.00617%0.171CC..Iπ-helixtrans-61.2-52.1175.4178.20000110.3V345 Q369 M370 L375 M377 D378 F459 F462V345-V373 HydrophobicContact CG1-CG1 4Å; Q369-V373 WeakPolarHBondContact O-CG2 3.44Å; Q369-V373 PolarHBondContact O-N 3.15Å; Q369-V373 VanDerWaalsContact O-N 3.1Å; M370-V373 PolarHBondContact O-N 3.44Å; V373-L375 PolarHBondContact O-N 3.1Å; V373-M377 HydrophobicContact CG1-CE 4.37Å; V373-M377 HydrophobicContact CG1-SD 4.18Å; V373-M377 HydrophobicContact CG2-CE 4.09Å; V373-M377 WeakPolarHBondContact O-CB 3.18Å; V373-M377 PolarHBondContact O-N 2.99Å; V373-D378 PolarHBondContact O-N 3.33Å; V373-F459 HydrophobicContact CG2-CE2 4.11Å; V373-F462 HydrophobicContact CB-CE1 4.43Å; V373-F462 HydrophobicContact CG1-CE1 3.89Å; V373-F462 HydrophobicContact CG2-CD1 4.33Å; V373-F462 HydrophobicContact CG2-CE1 4.11Å
374N75.7Confident77.1Confident13 Ų1332.9 Ų32.97%0.0717%0.168CC..Iπ-helixtrans-71.4-29.2-174.6-79.144.8000114.7V43 N346 M370 L371V43-N374 VanDerWaalsContact CA-ND2 3.28Å; V43-N374 WeakPolarHBondContact CA-ND2 3.32Å; V43-N374 PolarHBondContact O-ND2 2.88Å; V43-N374 VanDerWaalsContact O-ND2 3.11Å; N346-N374 PolarHBondContact OD1-ND2 3.3Å; M370-N374 PolarHBondContact O-N 3.12Å; M370-N374 PolarHBondContact O-OD1 3Å; L371-N374 PolarHBondContact O-N 3.28Å
375L75.9Confident77.1Confident79 Ų7933 Ų3341%0.41417%0.169SC..Iπ-helixtrans-99.2-33.8-174.5-168.9142.5000113.1L371 V373 I379L371-L375 HydrophobicContact CD1-CB 4.47Å; L371-L375 HydrophobicContact CD1-CD1 4.38Å; L371-L375 WeakPolarHBondContact O-CB 3.36Å; L371-L375 PolarHBondContact O-N 3.16Å; V373-L375 PolarHBondContact O-N 3.1Å; L375-I379 WeakPolarHBondContact O-CD1 2.94Å; L375-I379 WeakPolarHBondContact O-CG1 3.46Å
376I75.9Confident77.2Confident68 Ų6833 Ų3335%0.34917%0.169SC..Iπ-helixtrans-105.1-60-176.5-61.6-169.1000109.5W372 D378 I379 F380W372-I376 WeakPolarHBondContact O-CB 3.12Å; W372-I376 PolarHBondContact O-N 3.32Å; I376-D378 PolarHBondContact O-N 2.96Å; I376-I379 PolarHBondContact O-N 3.34Å; I376-F380 HydrophobicContact CG2-CD2 3.74Å; I376-F380 HydrophobicContact CG2-CE2 3.87Å; I376-F380 WeakPolarHBondContact O-CD2 3.35Å; I376-F380 PolarHBondContact O-N 3.36Å
377M78.6Confident77.6Confident6 Ų628.6 Ų28.63%0.0315%0.15CC..Iπ-helixtrans-61.7-50.2-176.1-173.6-169.2-52.600111.4W372 V373 I379 F380 A381 V463 T466W372-M377 HydrophobicContact CE3-CE 4.05Å; W372-M377 HydrophobicContact CH2-CE 3.52Å; W372-M377 HydrophobicContact CZ3-CE 3.14Å; W372-M377 PolarHBondContact O-N 3.21Å; V373-M377 HydrophobicContact CG1-CE 4.37Å; V373-M377 HydrophobicContact CG1-SD 4.18Å; V373-M377 HydrophobicContact CG2-CE 4.09Å; V373-M377 WeakPolarHBondContact O-CB 3.18Å; V373-M377 PolarHBondContact O-N 2.99Å; M377-I379 VanDerWaalsContact C-N 3.25Å; M377-I379 PolarHBondContact O-N 3.44Å; M377-F380 PolarHBondContact O-N 2.95Å; M377-A381 HydrophobicContact CG-CB 4.49Å; M377-A381 WeakPolarHBondContact O-CB 3.46Å; M377-A381 PolarHBondContact O-N 3.21Å; M377-V463 HydrophobicContact CE-CB 3.89Å; M377-V463 HydrophobicContact CE-CG1 3.36Å; M377-V463 HydrophobicContact CE-CG2 3.69Å; M377-V463 HydrophobicContact SD-CG1 4.41Å; M377-T466 HydrophobicContact CG-CG2 4.47Å; M377-T466 HydrophobicContact SD-CG2 3.43Å; M377-T466 WeakPolarHBondContact SD-CG2 3.3Å
378D82Confident78.1Confident3 Ų327.2 Ų27.22%0.01614%0.137CC..Hα-helixtrans-64.4-28.5-177.9-81.52.3000113.3Q342 V345 V373 I376 A382Q342-D378 PolarHBondContact NE2-O 2.85Å; V345-D378 WeakPolarHBondContact CG1-OD1 3.28Å; V373-D378 PolarHBondContact O-N 3.33Å; I376-D378 PolarHBondContact O-N 2.96Å; D378-A382 WeakPolarHBondContact O-CB 3.41Å; D378-A382 PolarHBondContact O-N 3.45Å
379I82.4Confident78.5Confident29 Ų2927.3 Ų27.315%0.14914%0.135CC..Hα-helixtrans-74.1-48.9175.6-64.5-173.5000110.2L51 L375 I376 M377 L383L51-I379 HydrophobicContact CD2-CD1 3.84Å; L51-I379 HydrophobicContact CD2-CG2 3.82Å; L375-I379 WeakPolarHBondContact O-CD1 2.94Å; L375-I379 WeakPolarHBondContact O-CG1 3.46Å; I376-I379 PolarHBondContact O-N 3.34Å; M377-I379 VanDerWaalsContact C-N 3.25Å; M377-I379 PolarHBondContact O-N 3.44Å; I379-L383 WeakPolarHBondContact O-CB 3.38Å; I379-L383 PolarHBondContact O-N 3.29Å
380F82.5Confident78.5Confident104 Ų10428.2 Ų28.246%0.45614%0.142SC..Hα-helixtrans-71.5-48-178.2-75.2-65.5000111.8I376 M377 A382 L383 A384 I495I376-F380 HydrophobicContact CG2-CD2 3.74Å; I376-F380 HydrophobicContact CG2-CE2 3.87Å; I376-F380 WeakPolarHBondContact O-CD2 3.35Å; I376-F380 PolarHBondContact O-N 3.36Å; M377-F380 PolarHBondContact O-N 2.95Å; F380-A382 PolarHBondContact O-N 2.81Å; F380-L383 WeakPolarHBondContact O-CA 3.46Å; F380-L383 VanDerWaalsContact O-CB 3.32Å; F380-L383 WeakPolarHBondContact O-CB 3.18Å; F380-L383 PolarHBondContact O-N 3.22Å; F380-A384 PolarHBondContact O-N 2.85Å; F380-A384 VanDerWaalsContact O-N 3.09Å; F380-I495 HydrophobicContact CB-CG1 4.41Å; F380-I495 HydrophobicContact CB-CG2 3.91Å; F380-I495 HydrophobicContact CD1-CG1 4.47Å; F380-I495 WeakPolarHBondContact O-CD1 3.36Å
381A76.6Confident78.7Confident1 Ų130.5 Ų30.51%0.00816%0.161CC..Hα-helixtrans-64.1-27.8178.100000112.4F341 M377 P385 E470F341-A381 HydrophobicContact CD1-CB 4.37Å; F341-A381 HydrophobicContact CE1-CB 3.4Å; F341-A381 HydrophobicContact CE2-CB 4.24Å; F341-A381 HydrophobicContact CZ-CB 3.31Å; M377-A381 HydrophobicContact CG-CB 4.49Å; M377-A381 WeakPolarHBondContact O-CB 3.46Å; M377-A381 PolarHBondContact O-N 3.21Å; A381-P385 WeakPolarHBondContact O-CD 3.42Å; A381-E470 HydrophobicContact CB-CG 4.26Å; A381-E470 WeakPolarHBondContact CB-OE2 3.17Å
382A76.3Confident78.7Confident0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-79.4-26.2170.300000113.9A52 F341 Q342 D378 F380 A384 P385 A386A52-A382 HydrophobicContact CB-CB 3.71Å; F341-A382 HydrophobicContact CD1-CB 4.46Å; Q342-A382 HydrophobicContact CG-CB 3.96Å; D378-A382 WeakPolarHBondContact O-CB 3.41Å; D378-A382 PolarHBondContact O-N 3.45Å; F380-A382 PolarHBondContact O-N 2.81Å; A382-A384 VanDerWaalsContact C-N 3.31Å; A382-P385 WeakPolarHBondContact O-CD 3.4Å; A382-P385 WeakPolarHBondContact O-CG 3.26Å; A382-A386 WeakPolarHBondContact O-CB 3.43Å
383L80.3Confident78.6Confident30 Ų3038.5 Ų38.516%0.15720%0.197CC..Hα-helixtrans-69-33174.3-176.663.4000111.5L55 I379 F380 A386 T387 I495L55-L383 HydrophobicContact CB-CD1 3.69Å; L55-L383 HydrophobicContact CD1-CD1 4.06Å; I379-L383 WeakPolarHBondContact O-CB 3.38Å; I379-L383 PolarHBondContact O-N 3.29Å; F380-L383 WeakPolarHBondContact O-CA 3.46Å; F380-L383 VanDerWaalsContact O-CB 3.32Å; F380-L383 WeakPolarHBondContact O-CB 3.18Å; F380-L383 PolarHBondContact O-N 3.22Å; L383-A386 WeakPolarHBondContact O-CA 3.35Å; L383-A386 WeakPolarHBondContact O-CB 3.5Å; L383-A386 PolarHBondContact O-N 3.38Å; L383-A386 VanDerWaalsContact O-N 3.15Å; L383-T387 HydrophobicContact CD1-CG2 4.09Å; L383-T387 HydrophobicContact CG-CG2 4.21Å; L383-T387 WeakPolarHBondContact O-CG2 3.24Å; L383-T387 PolarHBondContact O-N 3.4Å; L383-T387 VanDerWaalsContact O-N 3.12Å; L383-T387 PolarHBondContact O-OG1 2.83Å; L383-I495 HydrophobicContact CB-CD1 4.42Å
384A79.7Confident78.5Confident0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-57.7-56.2-178.600000113F380 A382 A386 T387 E470 Y492 I495F380-A384 PolarHBondContact O-N 2.85Å; F380-A384 VanDerWaalsContact O-N 3.09Å; A382-A384 VanDerWaalsContact C-N 3.31Å; A384-A386 PolarHBondContact O-N 3.32Å; A384-T387 PolarHBondContact O-N 3.3Å; A384-T387 PolarHBondContact O-OG1 2.96Å; A384-E470 WeakPolarHBondContact CB-OE1 3.36Å; A384-Y492 HydrophobicContact CB-CD2 3.41Å; A384-Y492 VanDerWaalsContact CB-CD2 3.41Å; A384-Y492 HydrophobicContact CB-CE2 3.93Å; A384-Y492 HydrophobicContact CB-CG 4.27Å; A384-I495 HydrophobicContact CB-CD1 4.01Å; A384-I495 HydrophobicContact CB-CG2 4.44Å
385P73Confident78.5Confident4 Ų441.9 Ų41.93%0.02622%0.215CC..Hα-helixtrans-69.4-17.8174.829.8-36.2000113.3S334 K337 A381 A382 T387 E388S334-P385 PolarHBondContact OG-O 3.34Å; K337-P385 HydrophobicContact CB-CB 3.81Å; K337-P385 HydrophobicContact CB-CG 4.49Å; K337-P385 HydrophobicContact CD-CB 4.36Å; A381-P385 WeakPolarHBondContact O-CD 3.42Å; A382-P385 WeakPolarHBondContact O-CD 3.4Å; A382-P385 WeakPolarHBondContact O-CG 3.26Å; P385-T387 VanDerWaalsContact C-N 3.32Å; P385-E388 WeakPolarHBondContact O-CG 3.46Å
386A77.5Confident78.4Confident1 Ų147.4 Ų47.41%0.00823%0.23CC..Hα-helixtrans-75.3-19.317500000114A56 A382 L383 A384A56-A386 HydrophobicContact CB-CB 3.45Å; A56-A386 VanDerWaalsContact CB-CB 3.45Å; A382-A386 WeakPolarHBondContact O-CB 3.43Å; L383-A386 WeakPolarHBondContact O-CA 3.35Å; L383-A386 WeakPolarHBondContact O-CB 3.5Å; L383-A386 PolarHBondContact O-N 3.38Å; L383-A386 VanDerWaalsContact O-N 3.15Å; A384-A386 PolarHBondContact O-N 3.32Å
387T81.4Confident78.2Confident3 Ų346.6 Ų46.62%0.01822%0.223CC..THydrogen-bonded Turntrans-979.4-178.657.30000114Y59 L383 A384 P385 I491Y59-T387 HydrophobicContact CD1-CG2 4.17Å; Y59-T387 HydrophobicContact CD2-CG2 4.38Å; Y59-T387 HydrophobicContact CE1-CG2 4.32Å; Y59-T387 HydrophobicContact CG-CG2 4.2Å; L383-T387 HydrophobicContact CD1-CG2 4.09Å; L383-T387 HydrophobicContact CG-CG2 4.21Å; L383-T387 WeakPolarHBondContact O-CG2 3.24Å; L383-T387 PolarHBondContact O-N 3.4Å; L383-T387 VanDerWaalsContact O-N 3.12Å; L383-T387 PolarHBondContact O-OG1 2.83Å; A384-T387 PolarHBondContact O-N 3.3Å; A384-T387 PolarHBondContact O-OG1 2.96Å; P385-T387 VanDerWaalsContact C-N 3.32Å; T387-I491 HydrophobicContact CG2-CD1 4.01Å; T387-I491 HydrophobicContact CG2-CG2 4.25Å
388E78.9Confident78Confident12 Ų1255.1 Ų55.16%0.05626%0.26CS..PPolyproline II helixtrans-67.3137.9-179.1-64.6-168.713500112.8N330 K337 P385 R474N330-E388 PolarHBondContact ND2-O 3.4Å; K337-E388 VanDerWaalsContact CD-OE2 3.3Å; K337-E388 WeakPolarHBondContact CD-OE2 3.5Å; K337-E388 WeakPolarHBondContact CE-OE2 3.31Å; K337-E388 IonicContact NZ-OE2 2.85Å; K337-E388 PolarHBondContact NZ-OE2 3.06Å; P385-E388 WeakPolarHBondContact O-CG 3.46Å; E388-R474 VanDerWaalsContact OE1-CD 3.29Å; E388-R474 WeakPolarHBondContact OE1-CD 3.21Å; E388-R474 WeakPolarHBondContact OE1-CG 3.4Å; E388-R474 IonicContact OE1-CZ 3.35Å; E388-R474 IonicContact OE1-NE 2.68Å; E388-R474 PolarHBondContact OE1-NE 3.44Å; E388-R474 IonicContact OE1-NH2 3.7Å
389M81.6Confident77.6Confident111 Ų11157.3 Ų57.355%0.54727%0.274SS..PPolyproline II helixtrans-73.5146.9174.3-62-171.7-133.700110.9N489M389-N489 WeakPolarHBondContact CE-OD1 3.27Å
390P80.8Confident77.1Confident29 Ų2956.4 Ų56.419%0.18827%0.269CS..PPolyproline II helixtrans-63136.3179.725-33.5000112.1M326 W327 N330 L394M326-P390 HydrophobicContact CE-CB 4.4Å; M326-P390 HydrophobicContact CE-CG 4.14Å; M326-P390 HydrophobicContact CG-CB 3.62Å; M326-P390 HydrophobicContact CG-CG 4.36Å; M326-P390 HydrophobicContact SD-CB 4.02Å; M326-P390 HydrophobicContact SD-CG 4.35Å; W327-P390 HydrophobicContact CD2-CG 4.25Å; W327-P390 HydrophobicContact CE3-CG 4.45Å; W327-P390 HydrophobicContact CH2-CG 4.33Å; W327-P390 HydrophobicContact CZ2-CG 4.17Å; W327-P390 HydrophobicContact CZ3-CG 4.49Å; N330-P390 HydrophobicContact CB-CB 3.91Å; P390-L394 HydrophobicContact CB-CD1 4.28Å
391A79.5Confident76.3Confident50 Ų5051.8 Ų51.841%0.41325%0.251SS..PPolyproline II helixtrans-94.7142.9170.600000111.2E393 L394A391-E393 PolarHBondContact O-N 3.41Å; A391-L394 HydrophobicContact CB-CG 4.4Å; A391-L394 WeakPolarHBondContact O-CB 3.47Å; A391-L394 WeakPolarHBondContact O-CG 3.27Å; A391-L394 PolarHBondContact O-N 2.73Å
392E76.8Confident76Confident151 Ų15157.4 Ų57.471%0.70627%0.272SS*.THydrogen-bonded Turntrans-63.2-23.9176.8-65.5-176.2177.200113.1L394 L395E392-L394 PolarHBondContact O-N 3.05Å; E392-L394 VanDerWaalsContact O-N 3.17Å; E392-L395 PolarHBondContact O-N 3.36Å
393E76.3Confident75.6Confident113 Ų11361.4 Ų61.453%0.52830%0.296SS..Hα-helixtrans-58.6-27.3174.2-168.4179.3-178.300111.9A391 L395 R396 Q479A391-E393 PolarHBondContact O-N 3.41Å; E393-L395 PolarHBondContact O-N 3.04Å; E393-L395 VanDerWaalsContact O-N 3.12Å; E393-R396 WeakPolarHBondContact O-CB 3.46Å; E393-R396 PolarHBondContact O-N 3.31Å; E393-Q479 PolarHBondContact OE1-NE2 3.05Å; E393-Q479 PolarHBondContact OE2-NE2 3.29Å
394L77.1Confident75.1Confident16 Ų1665.4 Ų65.48%0.08431%0.312CS..Hα-helixtrans-60-22.7175.7-61.7175.6000112.8R329 N330 D333 P390 A391 E392 R397R329-L394 HydrophobicContact CB-CB 4.29Å; R329-L394 WeakPolarHBondContact CD-O 3.31Å; R329-L394 PolarHBondContact NH1-O 3.3Å; N330-L394 HydrophobicContact CB-CD1 3.79Å; D333-L394 WeakPolarHBondContact OD2-CD2 3.45Å; P390-L394 HydrophobicContact CB-CD1 4.28Å; A391-L394 HydrophobicContact CB-CG 4.4Å; A391-L394 WeakPolarHBondContact O-CB 3.47Å; A391-L394 WeakPolarHBondContact O-CG 3.27Å; A391-L394 PolarHBondContact O-N 2.73Å; E392-L394 PolarHBondContact O-N 3.05Å; E392-L394 VanDerWaalsContact O-N 3.17Å; L394-R397 WeakPolarHBondContact O-CG 3.31Å
395L75.6Confident74.9Confident69 Ų6968.6 Ų68.636%0.36134%0.339SS..Hα-helixtrans-82.4-25.6176.2-67.5176.1000112.5V325 M326 R329 E392 E393 R397V325-L395 HydrophobicContact CG1-CD2 4.39Å; M326-L395 HydrophobicContact CB-CD2 4.03Å; M326-L395 HydrophobicContact CB-CG 4.3Å; R329-L395 PolarHBondContact NH1-O 3Å; E392-L395 PolarHBondContact O-N 3.36Å; E393-L395 PolarHBondContact O-N 3.04Å; E393-L395 VanDerWaalsContact O-N 3.12Å; L395-R397 VanDerWaalsContact C-N 3.34Å; L395-R397 PolarHBondContact O-N 2.94Å
396R73.4Confident75Confident196 Ų19671.5 Ų71.574%0.7435%0.354SS*.Hα-helixtrans-74.8-22.7-178.2-61.3-177.1-179-178.91.1113.3E393E393-R396 WeakPolarHBondContact O-CB 3.46Å; E393-R396 PolarHBondContact O-N 3.31Å
397R71.8Confident75.1Confident50 Ų5075.7 Ų75.719%0.18937%0.372CS..SBendtrans-76.8150.6176.663.6179-175.1-178.73.7112.1R329 D333 L394 L395 Y400 H477R329-R397 PolarHBondContact NH1-O 3.47Å; R329-R397 PolarHBondContact O-NH2 3.11Å; D333-R397 IonicContact OD1-CZ 2.98Å; D333-R397 VanDerWaalsContact OD1-CZ 3.23Å; D333-R397 IonicContact OD1-NH1 3.97Å; D333-R397 PolarHBondContact OD1-NH1 3.01Å; D333-R397 IonicContact OD1-NH2 3.64Å; D333-R397 PolarHBondContact OD1-NH2 2.92Å; D333-R397 IonicContact OD2-CZ 3.99Å; D333-R397 VanDerWaalsContact OD2-CZ 3.26Å; D333-R397 IonicContact OD2-NH1 3.75Å; D333-R397 PolarHBondContact OD2-NH1 3.48Å; D333-R397 IonicContact OD2-NH2 3.64Å; D333-R397 PolarHBondContact OD2-NH2 3.4Å; L394-R397 WeakPolarHBondContact O-CG 3.31Å; L395-R397 VanDerWaalsContact C-N 3.34Å; L395-R397 PolarHBondContact O-N 2.94Å; R397-Y400 PolarHBondContact NH1-OH 3.27Å; R397-H477 PolarHBondContact NH1-NE2 3.19Å
398K74.4Confident75Confident185 Ų18577.8 Ų77.880%0.80439%0.387SS*.PPolyproline II helixtrans-64145.5169.7-67.1-176.2179.1-178.50110.3
399P73.6Confident75.1Confident49 Ų4987.5 Ų87.532%0.31842%0.423SS..PPolyproline II helixtrans-61.6153.2176.225.8-33.6000111.7A83 T84A83-P399 WeakPolarHBondContact O-CB 3.48Å; T84-P399 HydrophobicContact CG2-CB 4.1Å; T84-P399 HydrophobicContact CG2-CG 3.93Å
400Y73.2Confident75.1Confident11 Ų1184.5 Ų84.54%0.04341%0.411CS..PPolyproline II helixtrans-75.6127.4170.6-61.9-93000109N82 Y332 D333 R397 K404 H477N82-Y400 WeakPolarHBondContact OD1-CB 3.15Å; Y332-Y400 HydrophobicContact CD1-CD2 4Å; Y332-Y400 HydrophobicContact CD1-CE1 4.29Å; Y332-Y400 AromaticContact CD1-CE2 3.57Å; Y332-Y400 HydrophobicContact CD1-CE2 3.57Å; Y332-Y400 AromaticContact CD1-CZ 3.76Å; Y332-Y400 AromaticContact CE1-CD1 3.82Å; Y332-Y400 HydrophobicContact CE1-CD1 3.82Å; Y332-Y400 AromaticContact CE1-CD2 4Å; Y332-Y400 HydrophobicContact CE1-CD2 4Å; Y332-Y400 AromaticContact CE1-CE1 3.57Å; Y332-Y400 HydrophobicContact CE1-CE1 3.57Å; Y332-Y400 AromaticContact CE1-CE2 3.7Å; Y332-Y400 HydrophobicContact CE1-CE2 3.7Å; Y332-Y400 HydrophobicContact CE1-CG 4.08Å; Y332-Y400 AromaticContact CE1-CZ 3.5Å; Y332-Y400 HydrophobicContact CG-CE2 4.4Å; D333-Y400 PolarHBondContact OD1-OH 2.88Å; R397-Y400 PolarHBondContact NH1-OH 3.27Å; Y400-K404 HydrophobicContact CD1-CD 3.6Å; Y400-K404 VanDerWaalsContact CD1-CE 3.5Å; Y400-K404 HydrophobicContact CD1-CG 4.3Å; Y400-K404 HydrophobicContact CE1-CD 4.31Å; Y400-H477 PolarHBondContact OH-CE1 3.24Å; Y400-H477 PolarHBondContact OH-NE2 3.06Å
401G65.4Low75.3Confident7 Ų783.2 Ų83.27%0.07240%0.402CS..PPolyproline II helixtrans-70160.9172.500000112.3T403 K404G401-T403 PolarHBondContact O-N 2.75Å; G401-T403 VanDerWaalsContact O-N 3.1Å; G401-K404 PolarHBondContact O-N 2.97Å; G401-K404 VanDerWaalsContact O-N 3.16Å
402R68.9Low75.5Confident119 Ų11984.9 Ų84.945%0.44940%0.402SS..THydrogen-bonded Turntrans-56-30.5-179.4-69.7-17572.3111.83114N291 R292 E293 V294 D312N291-R402 PolarHBondContact O-N 2.99Å; R292-R402 HydrophobicContact CB-CB 4.2Å; R292-R402 HydrophobicContact CB-CG 4.34Å; E293-R402 VanDerWaalsContact O-CD 3.3Å; E293-R402 WeakPolarHBondContact O-CD 3.33Å; V294-R402 HydrophobicContact CG2-CG 3.29Å; D312-R402 IonicContact OD1-CZ 3.78Å; D312-R402 IonicContact OD1-NH1 3.96Å; D312-R402 PolarHBondContact OD1-NH1 3Å; D312-R402 IonicContact OD1-NH2 3.19Å; D312-R402 IonicContact OD2-NH1 2.71Å; D312-R402 PolarHBondContact OD2-NH1 3.03Å
403T67.7Low76Confident83 Ų8383.8 Ų83.851%0.50940%0.395SS..THydrogen-bonded Turntrans-96.6-1.8-173.657.80000113.7N291 G401 A405N291-T403 PolarHBondContact O-N 3.25Å; G401-T403 PolarHBondContact O-N 2.75Å; G401-T403 VanDerWaalsContact O-N 3.1Å; T403-A405 PolarHBondContact O-N 3.48Å
404K70.8Confident76.5Confident114 Ų11478.9 Ų78.950%0.49637%0.373SS..  trans-70.7122.8-178-174.6161.3164.1-163.10109.8Y400 G401Y400-K404 HydrophobicContact CD1-CD 3.6Å; Y400-K404 VanDerWaalsContact CD1-CE 3.5Å; Y400-K404 HydrophobicContact CD1-CG 4.3Å; Y400-K404 HydrophobicContact CE1-CD 4.31Å; G401-K404 PolarHBondContact O-N 2.97Å; G401-K404 VanDerWaalsContact O-N 3.16Å
405A74.7Confident77.1Confident68 Ų6878.6 Ų78.656%0.56237%0.371SS*.  trans-60.1137.4178.400000111T403 F407T403-A405 PolarHBondContact O-N 3.48Å; A405-F407 PolarHBondContact O-N 3.35Å
406L75.5Confident77.8Confident65 Ų6579.5 Ų79.534%0.3438%0.375SS..SBendtrans-60.1-35.8175.1-169.764.3000111.4Y332 L339 S408Y332-L406 HydrophobicContact CD2-CD1 4.35Å; Y332-L406 HydrophobicContact CE1-CD1 4.41Å; Y332-L406 HydrophobicContact CE2-CD1 3.6Å; L339-L406 HydrophobicContact CD1-CD2 3.38Å; L339-L406 HydrophobicContact CD1-CG 3.96Å; L406-S408 PolarHBondContact O-N 3.49Å
407F80.2Confident78.6Confident89 Ų8970.5 Ų70.539%0.3934%0.344SS..SBendtrans-8397.4172.1-64.4-68.6000111.2L343 A405 M411L343-F407 HydrophobicContact CD1-CD1 4.36Å; L343-F407 HydrophobicContact CD1-CE1 3.28Å; L343-F407 HydrophobicContact CD1-CZ 3.59Å; A405-F407 PolarHBondContact O-N 3.35Å; F407-M411 HydrophobicContact CD1-CE 3.84Å; F407-M411 HydrophobicContact CD1-SD 3.88Å; F407-M411 HydrophobicContact CE1-CE 3.83Å; F407-M411 HydrophobicContact CE1-SD 4.46Å
408S78.7Confident79.5Confident46 Ų4668.3 Ų68.332%0.32234%0.336SS..  trans-66149.2169.2-179.80000111.1L406 T410 M411 M412L406-S408 PolarHBondContact O-N 3.49Å; S408-T410 PolarHBondContact O-N 3.25Å; S408-T410 PolarHBondContact OG-N 3.2Å; S408-M411 WeakPolarHBondContact O-CB 3.46Å; S408-M411 PolarHBondContact O-N 3.39Å; S408-M411 VanDerWaalsContact O-N 3.14Å; S408-M412 PolarHBondContact O-N 3.1Å
409R80.8Confident80.3Confident217 Ų21760 Ų6082%0.81930%0.301SS*.Hα-helixtrans-57.8-35.7174.4-64.7-176.2-178.7-158.10.1111.7K413R409-K413 WeakPolarHBondContact O-CG 3.42Å; R409-K413 PolarHBondContact O-N 3.03Å
410T81.2Confident81.3Confident47 Ų4762.6 Ų62.629%0.28831%0.311SS..Hα-helixtrans-66.6-44.5176.7-48.80000111.4S408 M412 K413 N414S408-T410 PolarHBondContact O-N 3.25Å; S408-T410 PolarHBondContact OG-N 3.2Å; T410-M412 PolarHBondContact O-N 3.44Å; T410-K413 WeakPolarHBondContact O-CB 3.28Å; T410-K413 PolarHBondContact O-N 3.47Å; T410-N414 PolarHBondContact O-N 3.42Å
411M85.3Confident82.3Confident2 Ų264.1 Ų64.11%0.0132%0.317CS..Hα-helixtrans-60.4-45176.2-179.5-169.8178.200110.8A336 L339 Q340 F407 S408 K413 N414 I415 I476A336-M411 VanDerWaalsContact O-CE 3.3Å; A336-M411 WeakPolarHBondContact O-CE 3.46Å; L339-M411 HydrophobicContact CB-CE 3.59Å; Q340-M411 HydrophobicContact CB-CE 3.84Å; Q340-M411 HydrophobicContact CB-CG 4.19Å; Q340-M411 HydrophobicContact CG-CG 4.33Å; Q340-M411 VanDerWaalsContact N-CE 3.3Å; F407-M411 HydrophobicContact CD1-CE 3.84Å; F407-M411 HydrophobicContact CD1-SD 3.88Å; F407-M411 HydrophobicContact CE1-CE 3.83Å; F407-M411 HydrophobicContact CE1-SD 4.46Å; S408-M411 WeakPolarHBondContact O-CB 3.46Å; S408-M411 PolarHBondContact O-N 3.39Å; S408-M411 VanDerWaalsContact O-N 3.14Å; M411-K413 PolarHBondContact O-N 2.87Å; M411-N414 WeakPolarHBondContact O-CB 3.18Å; M411-N414 PolarHBondContact O-N 3.19Å; M411-N414 VanDerWaalsContact O-N 3.15Å; M411-I415 HydrophobicContact CE-CD1 4.17Å; M411-I415 HydrophobicContact CG-CD1 4.01Å; M411-I415 VanDerWaalsContact O-CG1 3.31Å; M411-I415 WeakPolarHBondContact O-CG1 3.26Å; M411-I415 PolarHBondContact O-N 2.95Å; M411-I476 HydrophobicContact CB-CG2 4.32Å
412M85.2Confident83.6Confident85 Ų8563.8 Ų63.842%0.41931%0.313SS..Hα-helixtrans-61.2-42.5176.5-173.761.870.200112.4S408 T410 N414 I415 I416S408-M412 PolarHBondContact O-N 3.1Å; T410-M412 PolarHBondContact O-N 3.44Å; M412-N414 VanDerWaalsContact C-N 3.32Å; M412-N414 PolarHBondContact O-N 2.93Å; M412-I415 PolarHBondContact O-N 3.36Å; M412-I416 HydrophobicContact CG-CD1 3.79Å; M412-I416 HydrophobicContact CG-CG1 4.41Å; M412-I416 VanDerWaalsContact O-CG1 3.32Å; M412-I416 WeakPolarHBondContact O-CG1 3.36Å; M412-I416 PolarHBondContact O-N 3.41Å; M412-I416 HydrophobicContact SD-CD1 3.99Å; M412-I416 HydrophobicContact SD-CG1 4.18Å
413K87Confident84.8Confident129 Ų12959.4 Ų59.456%0.56130%0.299SS*.Hα-helixtrans-59.6-42.8173.9-73.8177.3-179.7-177.50111.2R409 T410 M411 G417 R535R409-K413 WeakPolarHBondContact O-CG 3.42Å; R409-K413 PolarHBondContact O-N 3.03Å; T410-K413 WeakPolarHBondContact O-CB 3.28Å; T410-K413 PolarHBondContact O-N 3.47Å; M411-K413 PolarHBondContact O-N 2.87Å; K413-G417 PolarHBondContact O-N 3.26Å; K413-R535 PolarHBondContact O-NH1 2.82Å
414N85.8Confident86Confident10 Ų1059.9 Ų59.95%0.05330%0.302CS..Hα-helixtrans-62.5-49.2177.3-72.6-1.2000111.4T410 M411 M412 G417 N418 R535T410-N414 PolarHBondContact O-N 3.42Å; M411-N414 WeakPolarHBondContact O-CB 3.18Å; M411-N414 PolarHBondContact O-N 3.19Å; M411-N414 VanDerWaalsContact O-N 3.15Å; M412-N414 VanDerWaalsContact C-N 3.32Å; M412-N414 PolarHBondContact O-N 2.93Å; N414-G417 PolarHBondContact O-N 3.43Å; N414-N418 PolarHBondContact O-N 2.87Å; N414-N418 VanDerWaalsContact O-N 3.13Å; N414-R535 PolarHBondContact O-NH1 3.46Å; N414-R535 PolarHBondContact O-NH2 2.86Å
415I89.3Confident87.1Confident9 Ų955.1 Ų55.15%0.04628%0.282CS..Hα-helixtrans-56.3-54.5177.9-66.6167.9000110.9Q340 L343 T344 M411 M412 G417 N418 N419Q340-I415 HydrophobicContact CG-CG1 3.94Å; L343-I415 HydrophobicContact CB-CD1 4.38Å; L343-I415 HydrophobicContact CD1-CD1 4.33Å; T344-I415 HydrophobicContact CG2-CB 4.03Å; T344-I415 HydrophobicContact CG2-CG1 4.06Å; T344-I415 HydrophobicContact CG2-CG2 3.84Å; M411-I415 HydrophobicContact CE-CD1 4.17Å; M411-I415 HydrophobicContact CG-CD1 4.01Å; M411-I415 VanDerWaalsContact O-CG1 3.31Å; M411-I415 WeakPolarHBondContact O-CG1 3.26Å; M411-I415 PolarHBondContact O-N 2.95Å; M412-I415 PolarHBondContact O-N 3.36Å; I415-G417 PolarHBondContact O-N 3.41Å; I415-N418 PolarHBondContact O-N 2.91Å; I415-N419 WeakPolarHBondContact O-CB 3.37Å; I415-N419 PolarHBondContact O-N 2.9Å; I415-N419 PolarHBondContact O-ND2 3.12Å; I415-N419 PolarHBondContact O-OD1 3.2Å
416I91.2Very high88Confident88 Ų8851.9 Ų51.945%0.45126%0.255SS..Hα-helixtrans-59.6-46.8-175.2-69.4170.3000111.1M412 N418 N419 L420M412-I416 HydrophobicContact CG-CD1 3.79Å; M412-I416 HydrophobicContact CG-CG1 4.41Å; M412-I416 VanDerWaalsContact O-CG1 3.32Å; M412-I416 WeakPolarHBondContact O-CG1 3.36Å; M412-I416 PolarHBondContact O-N 3.41Å; M412-I416 HydrophobicContact SD-CD1 3.99Å; M412-I416 HydrophobicContact SD-CG1 4.18Å; I416-N418 PolarHBondContact O-N 3.31Å; I416-N419 PolarHBondContact O-N 3.3Å; I416-L420 HydrophobicContact CG2-CD1 4.1Å; I416-L420 HydrophobicContact CG2-CG 4.43Å; I416-L420 WeakPolarHBondContact O-CG 3.43Å; I416-L420 PolarHBondContact O-N 3.45Å
417G89.4Confident88.8Confident8 Ų851.3 Ų51.38%0.08225%0.25CC..Hα-helixtrans-77.7-18.9-176.200000115.1K413 N414 I415 Y421 W531K413-G417 PolarHBondContact O-N 3.26Å; N414-G417 PolarHBondContact O-N 3.43Å; I415-G417 PolarHBondContact O-N 3.41Å; G417-Y421 PolarHBondContact O-N 3.34Å; G417-W531 PolarHBondContact O-NE1 3.5Å
418N90.6Very high89.3Confident3 Ų350.1 Ų50.12%0.01625%0.25CS..Hα-helixtrans-75.4-45.1169.7-82.4-1.8000107.8T344 N414 I415 I416 L420 Y421 Q422 N469 R535T344-N418 HydrophobicContact CG2-CB 4.26Å; N414-N418 PolarHBondContact O-N 2.87Å; N414-N418 VanDerWaalsContact O-N 3.13Å; I415-N418 PolarHBondContact O-N 2.91Å; I416-N418 PolarHBondContact O-N 3.31Å; N418-L420 VanDerWaalsContact C-N 3.27Å; N418-L420 PolarHBondContact O-N 3.47Å; N418-Y421 PolarHBondContact O-N 3.24Å; N418-Y421 VanDerWaalsContact O-N 3.11Å; N418-Q422 WeakPolarHBondContact O-CG 3.37Å; N418-Q422 PolarHBondContact O-N 3.26Å; N418-N469 PolarHBondContact ND2-OD1 3.26Å; N418-R535 PolarHBondContact OD1-NH2 3.32Å
419N92.7Very high89.9Confident12 Ų1248.2 Ų48.26%0.06424%0.236CC..Hα-helixtrans-54.4-42.9173.5-68.9-9.6000112.3T344 V347 V348 I415 I416 Q422 L423T344-N419 WeakPolarHBondContact CA-OD1 3.31Å; T344-N419 WeakPolarHBondContact CB-OD1 3.46Å; T344-N419 PolarHBondContact O-OD1 2.9Å; V347-N419 WeakPolarHBondContact CB-ND2 3.45Å; V347-N419 WeakPolarHBondContact CG1-ND2 3.32Å; V348-N419 HydrophobicContact CG2-CB 4.08Å; I415-N419 WeakPolarHBondContact O-CB 3.37Å; I415-N419 PolarHBondContact O-N 2.9Å; I415-N419 PolarHBondContact O-ND2 3.12Å; I415-N419 PolarHBondContact O-OD1 3.2Å; I416-N419 PolarHBondContact O-N 3.3Å; N419-Q422 PolarHBondContact O-N 3.46Å; N419-L423 VanDerWaalsContact O-CB 3.3Å; N419-L423 WeakPolarHBondContact O-CB 3.33Å; N419-L423 WeakPolarHBondContact O-CG 3.47Å; N419-L423 PolarHBondContact O-N 3.49Å
420L93.1Very high90.2Very high102 Ų10238 Ų3853%0.53420%0.198SC..Hα-helixtrans-61.3-47.6176.8-74.9172.7000112.3I416 N418 V424I416-L420 HydrophobicContact CG2-CD1 4.1Å; I416-L420 HydrophobicContact CG2-CG 4.43Å; I416-L420 WeakPolarHBondContact O-CG 3.43Å; I416-L420 PolarHBondContact O-N 3.45Å; N418-L420 VanDerWaalsContact C-N 3.27Å; N418-L420 PolarHBondContact O-N 3.47Å; L420-V424 VanDerWaalsContact O-CG2 3.24Å; L420-V424 WeakPolarHBondContact O-CG2 3.38Å; L420-V424 PolarHBondContact O-N 2.9Å
421Y94.1Very high90.4Very high43 Ų4340 Ų4017%0.16920%0.203CC..Hα-helixtrans-60.3-49.1176.8176.6-92.2000110.8G417 N418 L423 V424 V425 L524 G527 D528 W531G417-Y421 PolarHBondContact O-N 3.34Å; N418-Y421 PolarHBondContact O-N 3.24Å; N418-Y421 VanDerWaalsContact O-N 3.11Å; Y421-L423 VanDerWaalsContact C-N 3.34Å; Y421-L423 PolarHBondContact O-N 2.89Å; Y421-V424 PolarHBondContact O-N 3.21Å; Y421-V425 HydrophobicContact CD1-CG2 4.21Å; Y421-V425 HydrophobicContact CD2-CG2 4.48Å; Y421-V425 HydrophobicContact CE1-CG2 3.73Å; Y421-V425 HydrophobicContact CE2-CG2 4.05Å; Y421-V425 WeakPolarHBondContact O-CG2 2.91Å; Y421-V425 PolarHBondContact O-N 3.25Å; Y421-L524 PolarHBondContact OH-O 3.46Å; Y421-G527 VanDerWaalsContact OH-C 3.31Å; Y421-G527 VanDerWaalsContact OH-CA 3.31Å; Y421-G527 WeakPolarHBondContact OH-CA 3.22Å; Y421-D528 HydrophobicContact CD1-CB 3.83Å; Y421-D528 WeakPolarHBondContact CD1-OD1 3.4Å; Y421-D528 VanDerWaalsContact CE1-CA 3.5Å; Y421-D528 HydrophobicContact CE1-CB 3.57Å; Y421-D528 PolarHBondContact OH-N 2.97Å; Y421-W531 HydrophobicContact CD2-CB 4.08Å; Y421-W531 HydrophobicContact CD2-CD2 4.22Å; Y421-W531 AromaticContact CD2-CG 3.93Å; Y421-W531 HydrophobicContact CD2-CG 3.93Å; Y421-W531 HydrophobicContact CE2-CB 4.45Å; Y421-W531 HydrophobicContact CG-CB 4.35Å; Y421-W531 HydrophobicContact CG-CG 4.15Å
422Q93.7Very high90.6Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-63.3-40.7-177-62.4-166.6-7.100112.4V348 N418 N419 V425 I426 M465 D528V348-Q422 HydrophobicContact CG1-CB 4.04Å; V348-Q422 HydrophobicContact CG2-CB 3.86Å; N418-Q422 WeakPolarHBondContact O-CG 3.37Å; N418-Q422 PolarHBondContact O-N 3.26Å; N419-Q422 PolarHBondContact O-N 3.46Å; Q422-V425 PolarHBondContact O-N 3.07Å; Q422-I426 WeakPolarHBondContact O-CB 3.42Å; Q422-I426 WeakPolarHBondContact O-CG1 3.31Å; Q422-I426 PolarHBondContact O-N 3.48Å; Q422-M465 HydrophobicContact CB-CE 3.4Å; Q422-M465 VanDerWaalsContact CB-CE 3.4Å; Q422-M465 HydrophobicContact CG-CE 3.4Å; Q422-D528 PolarHBondContact NE2-OD2 3.25Å
423L93.7Very high90.6Very high28 Ų2839.1 Ų39.115%0.14720%0.203CC..Hα-helixtrans-64.3-41.9174.9-72.5173.3000112.6V348 V351 V352 N419 Y421 F427V348-L423 HydrophobicContact CG1-CD2 4.22Å; V348-L423 HydrophobicContact CG2-CG 4.43Å; V351-L423 HydrophobicContact CB-CD1 4.48Å; V351-L423 HydrophobicContact CB-CD2 3.84Å; V351-L423 HydrophobicContact CG1-CD1 4.01Å; V351-L423 HydrophobicContact CG1-CD2 3.51Å; V351-L423 HydrophobicContact CG1-CG 4.43Å; V352-L423 HydrophobicContact CG2-CD2 3.9Å; N419-L423 VanDerWaalsContact O-CB 3.3Å; N419-L423 WeakPolarHBondContact O-CB 3.33Å; N419-L423 WeakPolarHBondContact O-CG 3.47Å; N419-L423 PolarHBondContact O-N 3.49Å; Y421-L423 VanDerWaalsContact C-N 3.34Å; Y421-L423 PolarHBondContact O-N 2.89Å; L423-F427 HydrophobicContact CB-CD2 4.3Å; L423-F427 HydrophobicContact CB-CE2 4.16Å; L423-F427 HydrophobicContact CD2-CE2 4Å; L423-F427 HydrophobicContact CD2-CZ 4.09Å; L423-F427 VanDerWaalsContact O-CB 3.29Å; L423-F427 WeakPolarHBondContact O-CB 3.47Å; L423-F427 WeakPolarHBondContact O-CD2 3.37Å; L423-F427 VanDerWaalsContact O-CG 3.3Å; L423-F427 WeakPolarHBondContact O-CG 3.35Å; L423-F427 PolarHBondContact O-N 2.89Å
424V94Very high90.5Very high93 Ų9334.9 Ų34.956%0.56419%0.185SC*.Hα-helixtrans-62.8-46.8178.2169.10000110.8L420 Y421 T428L420-V424 VanDerWaalsContact O-CG2 3.24Å; L420-V424 WeakPolarHBondContact O-CG2 3.38Å; L420-V424 PolarHBondContact O-N 2.9Å; Y421-V424 PolarHBondContact O-N 3.21Å; V424-T428 VanDerWaalsContact O-CB 3.3Å; V424-T428 WeakPolarHBondContact O-CB 3.48Å; V424-T428 PolarHBondContact O-N 3.05Å; V424-T428 PolarHBondContact O-OG1 3.45Å
425V93.8Very high90.5Very high14 Ų1444 Ų449%0.08522%0.218CC..Hα-helixtrans-63.1-50.6178.5174.60000110.6Y421 Q422 F427 T428 L429 T461 M465 L524Y421-V425 HydrophobicContact CD1-CG2 4.21Å; Y421-V425 HydrophobicContact CD2-CG2 4.48Å; Y421-V425 HydrophobicContact CE1-CG2 3.73Å; Y421-V425 HydrophobicContact CE2-CG2 4.05Å; Y421-V425 WeakPolarHBondContact O-CG2 2.91Å; Y421-V425 PolarHBondContact O-N 3.25Å; Q422-V425 PolarHBondContact O-N 3.07Å; V425-F427 PolarHBondContact O-N 2.98Å; V425-T428 WeakPolarHBondContact O-CB 3.34Å; V425-T428 PolarHBondContact O-N 2.86Å; V425-L429 HydrophobicContact CG1-CD1 4.1Å; V425-L429 HydrophobicContact CG1-CG 4.49Å; V425-L429 WeakPolarHBondContact O-CG 3.43Å; V425-L429 PolarHBondContact O-N 3.15Å; V425-T461 HydrophobicContact CG1-CG2 4.11Å; V425-M465 HydrophobicContact CB-CE 4.17Å; V425-M465 HydrophobicContact CB-SD 4.19Å; V425-M465 HydrophobicContact CG1-CE 4.36Å; V425-M465 HydrophobicContact CG1-SD 3.74Å; V425-L524 HydrophobicContact CG1-CB 4.28Å; V425-L524 HydrophobicContact CG1-CD1 4.08Å; V425-L524 HydrophobicContact CG1-CD2 4.26Å; V425-L524 HydrophobicContact CG1-CG 4.44Å
426I92Very high90.3Very high0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-64.3-44-177.8-65.6-65.6000111.4V352 Q422 T428 L429 V430 I458 F462 M465V352-I426 HydrophobicContact CB-CG2 4.42Å; V352-I426 HydrophobicContact CG1-CG2 3.85Å; V352-I426 HydrophobicContact CG2-CB 4.23Å; V352-I426 HydrophobicContact CG2-CG2 3.61Å; Q422-I426 WeakPolarHBondContact O-CB 3.42Å; Q422-I426 WeakPolarHBondContact O-CG1 3.31Å; Q422-I426 PolarHBondContact O-N 3.48Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 3.47Å; I426-L429 PolarHBondContact O-N 2.9Å; I426-V430 HydrophobicContact CG2-CG2 4.06Å; I426-V430 WeakPolarHBondContact O-CB 3.13Å; I426-V430 WeakPolarHBondContact O-CG2 3.39Å; I426-V430 PolarHBondContact O-N 3.43Å; I426-I458 HydrophobicContact CD1-CG2 4.29Å; I426-I458 HydrophobicContact CG2-CG2 4.36Å; I426-F462 HydrophobicContact CD1-CB 3.88Å; I426-F462 HydrophobicContact CD1-CD2 4.31Å; I426-F462 HydrophobicContact CG1-CD2 4.46Å; I426-M465 HydrophobicContact CD1-SD 4.47Å; I426-M465 HydrophobicContact CG1-CE 4.31Å
427F92Very high89.9Confident52 Ų5245.3 Ų45.323%0.22822%0.224CC..Hα-helixtrans-65.5-35.9176.6-69.9-37.1000112.6V351 T355 L423 V425 L429 V430 F431V351-F427 HydrophobicContact CG1-CE2 4.41Å; V351-F427 HydrophobicContact CG1-CZ 3.96Å; T355-F427 HydrophobicContact CG2-CD1 4.34Å; T355-F427 HydrophobicContact CG2-CE1 3.56Å; T355-F427 HydrophobicContact CG2-CZ 3.81Å; L423-F427 HydrophobicContact CB-CD2 4.3Å; L423-F427 HydrophobicContact CB-CE2 4.16Å; L423-F427 HydrophobicContact CD2-CE2 4Å; L423-F427 HydrophobicContact CD2-CZ 4.09Å; L423-F427 VanDerWaalsContact O-CB 3.29Å; L423-F427 WeakPolarHBondContact O-CB 3.47Å; L423-F427 WeakPolarHBondContact O-CD2 3.37Å; L423-F427 VanDerWaalsContact O-CG 3.3Å; L423-F427 WeakPolarHBondContact O-CG 3.35Å; L423-F427 PolarHBondContact O-N 2.89Å; V425-F427 PolarHBondContact O-N 2.98Å; F427-L429 VanDerWaalsContact C-N 3.35Å; F427-V430 PolarHBondContact O-N 2.61Å; F427-F431 HydrophobicContact CB-CD2 4.38Å; F427-F431 HydrophobicContact CD1-CE2 4.38Å; F427-F431 VanDerWaalsContact O-CD2 3.28Å; F427-F431 WeakPolarHBondContact O-CD2 3.47Å; F427-F431 PolarHBondContact O-N 2.85Å
428T91.8Very high89.5Confident64 Ų6452.3 Ų52.339%0.39326%0.26SS..Hα-helixtrans-61.6-44.7173.2-57.20000110.8V424 V425 I426 V432 G433 I436V424-T428 VanDerWaalsContact O-CB 3.3Å; V424-T428 WeakPolarHBondContact O-CB 3.48Å; V424-T428 PolarHBondContact O-N 3.05Å; V424-T428 PolarHBondContact O-OG1 3.45Å; V425-T428 WeakPolarHBondContact O-CB 3.34Å; V425-T428 PolarHBondContact O-N 2.86Å; I426-T428 VanDerWaalsContact C-N 3.32Å; I426-T428 PolarHBondContact O-N 3.47Å; T428-V432 HydrophobicContact CG2-CB 4.48Å; T428-V432 CarbonylContact O-C 3.42Å; T428-V432 WeakPolarHBondContact O-CA 3.44Å; T428-V432 WeakPolarHBondContact O-CB 3.49Å; T428-V432 PolarHBondContact O-N 2.98Å; T428-G433 PolarHBondContact O-N 3.13Å; T428-G433 VanDerWaalsContact O-N 3.17Å; T428-I436 HydrophobicContact CG2-CD1 4.27Å
429L90.4Very high89Confident6 Ų653 Ų533%0.03126%0.264CS..Hα-helixtrans-66.7-38.5176.5-67.6176.3000112.7V425 I426 F427 G433 F437 H454 I458 T461 L524V425-L429 HydrophobicContact CG1-CD1 4.1Å; V425-L429 HydrophobicContact CG1-CG 4.49Å; V425-L429 WeakPolarHBondContact O-CG 3.43Å; V425-L429 PolarHBondContact O-N 3.15Å; I426-L429 PolarHBondContact O-N 2.9Å; F427-L429 VanDerWaalsContact C-N 3.35Å; L429-G433 WeakPolarHBondContact O-CA 3.38Å; L429-G433 PolarHBondContact O-N 3.29Å; L429-G433 VanDerWaalsContact O-N 3.09Å; L429-F437 HydrophobicContact CD2-CE2 3.63Å; L429-F437 HydrophobicContact CD2-CZ 4.43Å; L429-H454 PolarHBondContact O-NE2 3.47Å; L429-I458 HydrophobicContact CB-CG1 3.96Å; L429-T461 HydrophobicContact CD1-CG2 3.61Å; L429-L524 HydrophobicContact CD1-CD1 4.12Å; L429-L524 HydrophobicContact CD2-CD1 4.17Å; L429-L524 HydrophobicContact CG-CD1 4.49Å
430V87.9Confident88.4Confident4 Ų459.3 Ų59.32%0.02430%0.297CS..Hα-helixtrans-65.1-44.81781690000111.4I360 P364 I426 F427 I458I360-V430 HydrophobicContact CD1-CG1 3.38Å; P364-V430 HydrophobicContact CB-CG2 4.01Å; P364-V430 HydrophobicContact CG-CG2 4.21Å; I426-V430 HydrophobicContact CG2-CG2 4.06Å; I426-V430 WeakPolarHBondContact O-CB 3.13Å; I426-V430 WeakPolarHBondContact O-CG2 3.39Å; I426-V430 PolarHBondContact O-N 3.43Å; F427-V430 PolarHBondContact O-N 2.61Å; V430-I458 HydrophobicContact CB-CD1 4.47Å; V430-I458 HydrophobicContact CG2-CD1 3.83Å; V430-I458 HydrophobicContact CG2-CG2 4.46Å
431F86.5Confident87.8Confident89 Ų8956.6 Ų56.639%0.3929%0.287SS..Hα-helixtrans-93.4-36-173.3-70.3-67.7000114.9A359 F427 R443A359-F431 HydrophobicContact CB-CE1 4.12Å; A359-F431 HydrophobicContact CB-CZ 3.89Å; F427-F431 HydrophobicContact CB-CD2 4.38Å; F427-F431 HydrophobicContact CD1-CE2 4.38Å; F427-F431 VanDerWaalsContact O-CD2 3.28Å; F427-F431 WeakPolarHBondContact O-CD2 3.47Å; F427-F431 PolarHBondContact O-N 2.85Å; F431-R443 PolarHBondContact O-NH1 3.14Å
432V88.8Confident86.8Confident67 Ų6754.6 Ų54.641%0.40628%0.279SS..Hα-helixtrans-115-14.5-172.2-166.20000111.9T428 E434 R435 I436T428-V432 HydrophobicContact CG2-CB 4.48Å; T428-V432 CarbonylContact O-C 3.42Å; T428-V432 WeakPolarHBondContact O-CA 3.44Å; T428-V432 WeakPolarHBondContact O-CB 3.49Å; T428-V432 PolarHBondContact O-N 2.98Å; V432-E434 PolarHBondContact O-N 3.28Å; V432-E434 VanDerWaalsContact O-N 3.14Å; V432-R435 PolarHBondContact O-N 3.37Å; V432-I436 HydrophobicContact CB-CD1 4.16Å; V432-I436 HydrophobicContact CG1-CD1 3.91Å; V432-I436 HydrophobicContact CG1-CG1 4.05Å; V432-I436 PolarHBondContact O-N 2.97Å
433G85Confident85.9Confident1 Ų156.3 Ų56.31%0.0129%0.286CS..Hα-helixtrans-57.8-30.5-175.500000115T428 L429 R435 I436 F437T428-G433 PolarHBondContact O-N 3.13Å; T428-G433 VanDerWaalsContact O-N 3.17Å; L429-G433 WeakPolarHBondContact O-CA 3.38Å; L429-G433 PolarHBondContact O-N 3.29Å; L429-G433 VanDerWaalsContact O-N 3.09Å; G433-R435 VanDerWaalsContact C-N 3.26Å; G433-R435 PolarHBondContact O-N 3.32Å; G433-I436 PolarHBondContact O-N 3.47Å; G433-F437 WeakPolarHBondContact O-CD2 3.32Å; G433-F437 PolarHBondContact O-N 3.5Å; G433-F437 VanDerWaalsContact O-N 3.12Å
434E84.2Confident84.8Confident39 Ų3963.6 Ų63.618%0.18231%0.313CS..Hα-helixtrans-59.3-37174.272.4-174.2-171.800112.2V432 D438 V439 S441 R443V432-E434 PolarHBondContact O-N 3.28Å; V432-E434 VanDerWaalsContact O-N 3.14Å; E434-D438 WeakPolarHBondContact O-CA 3.32Å; E434-D438 PolarHBondContact O-N 2.9Å; E434-V439 PolarHBondContact O-N 2.85Å; E434-S441 WeakPolarHBondContact OE2-CB 3.32Å; E434-S441 PolarHBondContact OE2-OG 2.93Å; E434-R443 IonicContact OE1-CZ 2.69Å; E434-R443 IonicContact OE1-NH2 3.67Å; E434-R443 PolarHBondContact OE1-NH2 3.38Å; E434-R443 IonicContact OE2-CZ 3.47Å; E434-R443 IonicContact OE2-NE 2.71Å; E434-R443 PolarHBondContact OE2-NE 3.28Å; E434-R443 IonicContact OE2-NH2 3.86Å; E434-R443 PolarHBondContact OE2-NH2 3.48Å
435R85.5Confident83.5Confident201 Ų20160.8 Ų60.876%0.75830%0.299SS*.Hα-helixtrans-83.6-31-179.2-62-173.9-175.6177.1-1.2112.3V432 G433V432-R435 PolarHBondContact O-N 3.37Å; G433-R435 VanDerWaalsContact C-N 3.26Å; G433-R435 PolarHBondContact O-N 3.32Å
436I85.8Confident82.1Confident94 Ų9468.9 Ų68.948%0.48233%0.333SS..Hα-helixtrans-71.7-40-178-67.3168.3000110.5T428 V432 G433T428-I436 HydrophobicContact CG2-CD1 4.27Å; V432-I436 HydrophobicContact CB-CD1 4.16Å; V432-I436 HydrophobicContact CG1-CD1 3.91Å; V432-I436 HydrophobicContact CG1-CG1 4.05Å; V432-I436 PolarHBondContact O-N 2.97Å; G433-I436 PolarHBondContact O-N 3.47Å
437F82.2Confident80.4Confident32 Ų3272.4 Ų72.414%0.1436%0.358CS..THydrogen-bonded Turntrans-103.2-0.3-175.5-65.8-73.5000114.2L429 G433 V439 I457 Q517 W520L429-F437 HydrophobicContact CD2-CE2 3.63Å; L429-F437 HydrophobicContact CD2-CZ 4.43Å; G433-F437 WeakPolarHBondContact O-CD2 3.32Å; G433-F437 PolarHBondContact O-N 3.5Å; G433-F437 VanDerWaalsContact O-N 3.12Å; F437-V439 VanDerWaalsContact C-N 3.32Å; F437-V439 HydrophobicContact CB-CG2 3.79Å; F437-V439 WeakPolarHBondContact O-CG2 3.44Å; F437-V439 PolarHBondContact O-N 2.96Å; F437-I457 HydrophobicContact CB-CD1 4.2Å; F437-I457 HydrophobicContact CD2-CD1 4.31Å; F437-I457 HydrophobicContact CD2-CG2 4.4Å; F437-I457 HydrophobicContact CE2-CG2 4.17Å; F437-I457 HydrophobicContact CG-CD1 4.13Å; F437-Q517 HydrophobicContact CD1-CG 4.44Å; F437-W520 HydrophobicContact CE1-CB 3.55Å; F437-W520 AromaticContact CE1-CD1 3.57Å; F437-W520 HydrophobicContact CE1-CD2 4.36Å; F437-W520 AromaticContact CE1-CG 3.55Å; F437-W520 HydrophobicContact CE1-CG 3.55Å; F437-W520 HydrophobicContact CZ-CB 3.79Å; F437-W520 HydrophobicContact CZ-CG 4.08Å
438D81.7Confident78.9Confident155 Ų15578.2 Ų78.283%0.82939%0.385SS*.THydrogen-bonded Turntrans5150.2-174.9-158.926.3000112.2E434E434-D438 WeakPolarHBondContact O-CA 3.32Å; E434-D438 PolarHBondContact O-N 2.9Å
439V80.5Confident77.6Confident16 Ų1677.4 Ų77.410%0.09738%0.382CS..  trans-117.9142.2-176.8179.10000110E434 F437 S441 Q453 H454 I457E434-V439 PolarHBondContact O-N 2.85Å; F437-V439 VanDerWaalsContact C-N 3.32Å; F437-V439 HydrophobicContact CB-CG2 3.79Å; F437-V439 WeakPolarHBondContact O-CG2 3.44Å; F437-V439 PolarHBondContact O-N 2.96Å; V439-S441 PolarHBondContact O-N 2.73Å; V439-Q453 HydrophobicContact CG1-CB 3.45Å; V439-Q453 VanDerWaalsContact CG1-CB 3.45Å; V439-H454 HydrophobicContact CG1-CB 4.21Å; V439-I457 HydrophobicContact CG2-CD1 4.23Å
440D80.5Confident76.5Confident145 Ų14582 Ų8278%0.77541%0.412SS*.  trans-51.4129.6174.3-70-33.5000112.5G442D440-G442 PolarHBondContact O-N 3Å
441S78.8Confident75.6Confident45 Ų4584.2 Ų84.232%0.31543%0.427SS..  trans-63.2121.8-177.1-161.30000111.5E434 V439 R443E434-S441 WeakPolarHBondContact OE2-CB 3.32Å; E434-S441 PolarHBondContact OE2-OG 2.93Å; V439-S441 PolarHBondContact O-N 2.73Å; S441-R443 VanDerWaalsContact C-N 3.28Å; S441-R443 PolarHBondContact O-N 2.79Å; S441-R443 PolarHBondContact OG-NE 3.21Å
442G74.7Confident75.3Confident1 Ų181.3 Ų81.31%0.0142%0.417CS..  trans-75.9-15.7174.100000114.3D440 Y444 A445 H454 F455D440-G442 PolarHBondContact O-N 3Å; G442-Y444 VanDerWaalsContact C-N 3.32Å; G442-Y444 PolarHBondContact O-N 2.6Å; G442-A445 WeakPolarHBondContact O-CB 3.46Å; G442-A445 PolarHBondContact O-N 3.45Å; G442-H454 PolarHBondContact N-ND1 2.95Å; G442-F455 WeakPolarHBondContact O-CE2 3.31Å; G442-F455 WeakPolarHBondContact O-CZ 3.44Å
443R74.3Confident75Confident37 Ų3782 Ų8214%0.1442%0.415CS..THydrogen-bonded Turntrans-61.4-33.9-164-66-173-73.3-166.52.8114.5I360 F431 E434 S441I360-R443 HydrophobicContact CD1-CG 4Å; I360-R443 HydrophobicContact CG1-CG 4.32Å; I360-R443 HydrophobicContact CG2-CB 3.83Å; I360-R443 HydrophobicContact CG2-CG 4.23Å; I360-R443 WeakPolarHBondContact CG2-O 3.13Å; F431-R443 PolarHBondContact O-NH1 3.14Å; E434-R443 IonicContact OE1-CZ 2.69Å; E434-R443 IonicContact OE1-NH2 3.67Å; E434-R443 PolarHBondContact OE1-NH2 3.38Å; E434-R443 IonicContact OE2-CZ 3.47Å; E434-R443 IonicContact OE2-NE 2.71Å; E434-R443 PolarHBondContact OE2-NE 3.28Å; E434-R443 IonicContact OE2-NH2 3.86Å; E434-R443 PolarHBondContact OE2-NH2 3.48Å; S441-R443 VanDerWaalsContact C-N 3.28Å; S441-R443 PolarHBondContact O-N 2.79Å; S441-R443 PolarHBondContact OG-NE 3.21Å
444Y69.5Low75.1Confident180 Ų18082.1 Ų82.171%0.70642%0.416SS*.THydrogen-bonded Turntrans-11522.3-175.8-54.5-72000112.7G442 K446G442-Y444 VanDerWaalsContact C-N 3.32Å; G442-Y444 PolarHBondContact O-N 2.6Å; Y444-K446 PolarHBondContact O-N 3.28Å
445A68.4Low75.1Confident34 Ų3481.2 Ų81.228%0.28141%0.411SS..  trans-65.9130.8-176.300000110.5G442 S449 T452G442-A445 WeakPolarHBondContact O-CB 3.46Å; G442-A445 PolarHBondContact O-N 3.45Å; A445-S449 WeakPolarHBondContact CB-OG 3.34Å; A445-T452 HydrophobicContact CB-CG2 4.29Å
446K63.1Low75.1Confident185 Ų18571.8 Ų71.880%0.80438%0.376SS*.  trans-59.8151.4179.9-70.4178.2-178.1173.10110.4Y444 H448 S449Y444-K446 PolarHBondContact O-N 3.28Å; K446-H448 PolarHBondContact O-N 3.26Å; K446-S449 WeakPolarHBondContact O-CB 3.34Å; K446-S449 PolarHBondContact O-N 3.39Å; K446-S449 PolarHBondContact O-OG 3.03Å
447S57Low75.1Confident74 Ų7467.4 Ų67.452%0.51735%0.353SS..THydrogen-bonded Turntrans-52.8-9.3-171.3-163.80000117.3
448H60.5Low75.4Confident173 Ų17365.9 Ų65.980%0.80135%0.347SS*.THydrogen-bonded Turntrans-128.519.6179.1-68.5-67.6000113.7K446K446-H448 PolarHBondContact O-N 3.26Å
449S64.1Low75.7Confident47 Ų4758.7 Ų58.733%0.32931%0.308SS..PPolyproline II helixtrans-71.7148.9176.9490000112A445 K446A445-S449 WeakPolarHBondContact CB-OG 3.34Å; K446-S449 WeakPolarHBondContact O-CB 3.34Å; K446-S449 PolarHBondContact O-N 3.39Å; K446-S449 PolarHBondContact O-OG 3.03Å
450P67.4Low76Confident102 Ų10258.1 Ų58.166%0.66230%0.304SS*.PPolyproline II helixtrans-59158.817326.1-34.2000111T452P450-T452 PolarHBondContact O-N 3.18Å
451P68.9Low76.4Confident51 Ų5151.2 Ų51.233%0.33127%0.268SS..PPolyproline II helixtrans-57.6126.9177.726.5-34.5000110.4S509P451-S509 WeakPolarHBondContact CB-O 3.11Å; P451-S509 WeakPolarHBondContact CG-O 3.48Å
452T80.1Confident76.9Confident28 Ų2849.1 Ų49.117%0.17225%0.253CS..PPolyproline II helixtrans-81.5144.1-178.357.80000109.5A445 P450 H454 F455 T456A445-T452 HydrophobicContact CB-CG2 4.29Å; P450-T452 PolarHBondContact O-N 3.18Å; T452-H454 PolarHBondContact O-N 3.4Å; T452-F455 PolarHBondContact O-N 3.34Å; T452-F455 WeakPolarHBondContact OG1-CD2 3.15Å; T452-F455 WeakPolarHBondContact OG1-CG 3.27Å; T452-T456 PolarHBondContact O-N 3.1Å; T452-T456 PolarHBondContact O-OG1 3.41Å
453Q83.3Confident77.6Confident81 Ų8149.1 Ų49.138%0.37925%0.253SS..Hα-helixtrans-60.9-36.6175.2-75.3179.3-1.700110.9V439 F455 T456 I457 A511V439-Q453 HydrophobicContact CG1-CB 3.45Å; V439-Q453 VanDerWaalsContact CG1-CB 3.45Å; Q453-F455 PolarHBondContact O-N 2.96Å; Q453-T456 WeakPolarHBondContact O-CB 3.31Å; Q453-T456 PolarHBondContact O-N 3.47Å; Q453-T456 VanDerWaalsContact O-N 3.13Å; Q453-I457 WeakPolarHBondContact O-CG1 3.5Å; Q453-I457 PolarHBondContact O-N 3Å; Q453-A511 HydrophobicContact CB-CB 4.5Å; Q453-A511 HydrophobicContact CG-CB 3.73Å
454H86Confident78.2Confident4 Ų447.5 Ų47.52%0.01925%0.247CC..Hα-helixtrans-57.3-50.6178-178.4-149.6000113.2L429 V439 G442 T452 T456 I457 I458L429-H454 PolarHBondContact O-NE2 3.47Å; V439-H454 HydrophobicContact CG1-CB 4.21Å; G442-H454 PolarHBondContact N-ND1 2.95Å; T452-H454 PolarHBondContact O-N 3.4Å; H454-T456 VanDerWaalsContact C-N 3.28Å; H454-T456 PolarHBondContact O-N 2.88Å; H454-I457 PolarHBondContact O-N 3.49Å; H454-I458 PolarHBondContact O-N 3.26Å
455F83.8Confident79.2Confident21 Ų2139 Ų399%0.09221%0.213CC..Hα-helixtrans-68.5-29.1176.7-67.8-37.4000112.8P364 G442 T452 Q453 I458 F459P364-F455 HydrophobicContact CB-CD1 4.32Å; P364-F455 HydrophobicContact CB-CE1 4.2Å; P364-F455 WeakPolarHBondContact O-CD1 3.49Å; G442-F455 WeakPolarHBondContact O-CE2 3.31Å; G442-F455 WeakPolarHBondContact O-CZ 3.44Å; T452-F455 PolarHBondContact O-N 3.34Å; T452-F455 WeakPolarHBondContact OG1-CD2 3.15Å; T452-F455 WeakPolarHBondContact OG1-CG 3.27Å; Q453-F455 PolarHBondContact O-N 2.96Å; F455-I458 HydrophobicContact CD1-CD1 4.14Å; F455-I458 PolarHBondContact O-N 2.98Å; F455-F459 WeakPolarHBondContact O-CB 3.41Å; F455-F459 PolarHBondContact O-N 3.3Å
456T85.3Confident80.2Confident2 Ų237.3 Ų37.31%0.01220%0.2CC..Hα-helixtrans-66.3-38.6174.8-51.30000111.3T452 Q453 H454 F459 N460 T510 A511 Q513T452-T456 PolarHBondContact O-N 3.1Å; T452-T456 PolarHBondContact O-OG1 3.41Å; Q453-T456 WeakPolarHBondContact O-CB 3.31Å; Q453-T456 PolarHBondContact O-N 3.47Å; Q453-T456 VanDerWaalsContact O-N 3.13Å; H454-T456 VanDerWaalsContact C-N 3.28Å; H454-T456 PolarHBondContact O-N 2.88Å; T456-F459 PolarHBondContact O-N 3.43Å; T456-N460 WeakPolarHBondContact O-CB 3.17Å; T456-N460 PolarHBondContact O-N 2.89Å; T456-T510 HydrophobicContact CG2-CG2 3.76Å; T456-A511 PolarHBondContact OG1-N 3.23Å; T456-A511 VanDerWaalsContact OG1-N 3.13Å; T456-Q513 HydrophobicContact CG2-CG 4.08Å; T456-Q513 PolarHBondContact O-NE2 3.38Å; T456-Q513 VanDerWaalsContact O-NE2 3.12Å
457I87.7Confident81.4Confident2 Ų228.9 Ų28.91%0.0116%0.164CC..Hα-helixtrans-64-43.3175.9-66.1165.9000110.7F437 V439 Q453 H454 N460 T461 Q517F437-I457 HydrophobicContact CB-CD1 4.2Å; F437-I457 HydrophobicContact CD2-CD1 4.31Å; F437-I457 HydrophobicContact CD2-CG2 4.4Å; F437-I457 HydrophobicContact CE2-CG2 4.17Å; F437-I457 HydrophobicContact CG-CD1 4.13Å; V439-I457 HydrophobicContact CG2-CD1 4.23Å; Q453-I457 WeakPolarHBondContact O-CG1 3.5Å; Q453-I457 PolarHBondContact O-N 3Å; H454-I457 PolarHBondContact O-N 3.49Å; I457-N460 PolarHBondContact O-N 3.07Å; I457-T461 VanDerWaalsContact O-CB 3.27Å; I457-T461 WeakPolarHBondContact O-CB 3.49Å; I457-T461 PolarHBondContact O-N 3.13Å; I457-T461 PolarHBondContact O-OG1 3.03Å; I457-Q517 HydrophobicContact CD1-CB 4.48Å; I457-Q517 HydrophobicContact CD1-CG 3.93Å; I457-Q517 HydrophobicContact CG1-CB 4.45Å; I457-Q517 HydrophobicContact CG1-CG 4.41Å
458I88.5Confident82.9Confident0 Ų026.6 Ų26.60%014%0.144CC..Hα-helixtrans-61.5-46.3176.8-64.6166.8000110.4L365 I426 L429 V430 H454 F455 F462L365-I458 HydrophobicContact CD2-CG2 4.24Å; I426-I458 HydrophobicContact CD1-CG2 4.29Å; I426-I458 HydrophobicContact CG2-CG2 4.36Å; L429-I458 HydrophobicContact CB-CG1 3.96Å; V430-I458 HydrophobicContact CB-CD1 4.47Å; V430-I458 HydrophobicContact CG2-CD1 3.83Å; V430-I458 HydrophobicContact CG2-CG2 4.46Å; H454-I458 PolarHBondContact O-N 3.26Å; F455-I458 HydrophobicContact CD1-CD1 4.14Å; F455-I458 PolarHBondContact O-N 2.98Å; I458-F462 VanDerWaalsContact O-CB 3.31Å; I458-F462 WeakPolarHBondContact O-CB 3.47Å; I458-F462 PolarHBondContact O-N 3.09Å
459F86.6Confident84.2Confident4 Ų418.3 Ų18.32%0.01811%0.106CC..Hα-helixtrans-60.7-54.6177.1175.7-106.2000111.7L365 Q369 W372 V373 F455 T456 T461 F462 V463 T510L365-F459 HydrophobicContact CD2-CB 4.07Å; L365-F459 HydrophobicContact CD2-CD2 4.2Å; Q369-F459 HydrophobicContact CB-CD2 3.81Å; Q369-F459 HydrophobicContact CB-CE2 3.71Å; Q369-F459 HydrophobicContact CB-CZ 4.49Å; Q369-F459 HydrophobicContact CG-CD2 4.11Å; Q369-F459 HydrophobicContact CG-CE2 4.09Å; Q369-F459 HydrophobicContact CG-CZ 4.48Å; W372-F459 HydrophobicContact CE3-CE2 4.14Å; W372-F459 AromaticContact CE3-CZ 3.73Å; W372-F459 HydrophobicContact CE3-CZ 3.73Å; W372-F459 HydrophobicContact CZ3-CE2 4.35Å; W372-F459 AromaticContact CZ3-CZ 3.77Å; W372-F459 HydrophobicContact CZ3-CZ 3.77Å; V373-F459 HydrophobicContact CG2-CE2 4.11Å; F455-F459 WeakPolarHBondContact O-CB 3.41Å; F455-F459 PolarHBondContact O-N 3.3Å; T456-F459 PolarHBondContact O-N 3.43Å; F459-T461 VanDerWaalsContact C-N 3.31Å; F459-T461 PolarHBondContact O-N 3.35Å; F459-F462 WeakPolarHBondContact O-CB 3.48Å; F459-F462 PolarHBondContact O-N 3.27Å; F459-F462 VanDerWaalsContact O-N 3.12Å; F459-V463 HydrophobicContact CD1-CG2 4.39Å; F459-V463 HydrophobicContact CD2-CG2 4.14Å; F459-V463 HydrophobicContact CE1-CG2 4.03Å; F459-V463 HydrophobicContact CE2-CG2 3.76Å; F459-V463 HydrophobicContact CG-CG2 4.45Å; F459-V463 HydrophobicContact CZ-CG2 3.7Å; F459-V463 WeakPolarHBondContact O-CG2 3.5Å; F459-V463 PolarHBondContact O-N 3.15Å; F459-T510 HydrophobicContact CD1-CG2 4.07Å; F459-T510 HydrophobicContact CE1-CG2 4.31Å
460N87.1Confident85.2Confident4 Ų416.3 Ų16.32%0.0219%0.091CC..Hα-helixtrans-62.3-38.1-178.2-75-1.6000112.4T456 I457 V463 L464 Q513T456-N460 WeakPolarHBondContact O-CB 3.17Å; T456-N460 PolarHBondContact O-N 2.89Å; I457-N460 PolarHBondContact O-N 3.07Å; N460-V463 PolarHBondContact O-N 2.92Å; N460-L464 WeakPolarHBondContact O-CB 3.24Å; N460-L464 WeakPolarHBondContact O-CG 3.5Å; N460-L464 PolarHBondContact O-N 3.21Å; N460-Q513 PolarHBondContact ND2-NE2 2.96Å; N460-Q513 PolarHBondContact ND2-OE1 2.92Å
461T89.8Confident86.1Confident0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-64.5-43.7174.6-55.90000111.3V425 L429 I457 F459 L464 M465 C521 L524V425-T461 HydrophobicContact CG1-CG2 4.11Å; L429-T461 HydrophobicContact CD1-CG2 3.61Å; I457-T461 VanDerWaalsContact O-CB 3.27Å; I457-T461 WeakPolarHBondContact O-CB 3.49Å; I457-T461 PolarHBondContact O-N 3.13Å; I457-T461 PolarHBondContact O-OG1 3.03Å; F459-T461 VanDerWaalsContact C-N 3.31Å; F459-T461 PolarHBondContact O-N 3.35Å; T461-L464 PolarHBondContact O-N 3.35Å; T461-M465 HydrophobicContact CG2-CG 4.25Å; T461-M465 HydrophobicContact CG2-SD 3.48Å; T461-M465 WeakPolarHBondContact CG2-SD 3.45Å; T461-M465 WeakPolarHBondContact O-CB 3.3Å; T461-M465 WeakPolarHBondContact O-CG 3.38Å; T461-M465 PolarHBondContact O-N 3.26Å; T461-C521 PolarHBondContact OG1-SG 3.34Å; T461-L524 HydrophobicContact CG2-CB 3.87Å; T461-L524 HydrophobicContact CG2-CD1 3.96Å
462F89.7Confident86.9Confident2 Ų210.1 Ų10.11%0.0095%0.05CC..Hα-helixtrans-60.6-46.4176.5-179.7-117.3000112V345 V348 A349 L365 V373 I426 I458 F459 M465 T466V345-F462 HydrophobicContact CG1-CZ 4.03Å; V348-F462 HydrophobicContact CB-CE2 4.36Å; V348-F462 HydrophobicContact CG1-CD2 4.38Å; V348-F462 HydrophobicContact CG1-CE2 3.73Å; A349-F462 HydrophobicContact CB-CZ 4.31Å; L365-F462 HydrophobicContact CD1-CD1 4.25Å; L365-F462 HydrophobicContact CD1-CE1 4.47Å; V373-F462 HydrophobicContact CB-CE1 4.43Å; V373-F462 HydrophobicContact CG1-CE1 3.89Å; V373-F462 HydrophobicContact CG2-CD1 4.33Å; V373-F462 HydrophobicContact CG2-CE1 4.11Å; I426-F462 HydrophobicContact CD1-CB 3.88Å; I426-F462 HydrophobicContact CD1-CD2 4.31Å; I426-F462 HydrophobicContact CG1-CD2 4.46Å; I458-F462 VanDerWaalsContact O-CB 3.31Å; I458-F462 WeakPolarHBondContact O-CB 3.47Å; I458-F462 PolarHBondContact O-N 3.09Å; F459-F462 WeakPolarHBondContact O-CB 3.48Å; F459-F462 PolarHBondContact O-N 3.27Å; F459-F462 VanDerWaalsContact O-N 3.12Å; F462-M465 PolarHBondContact O-N 2.78Å; F462-T466 PolarHBondContact O-N 3.46Å; F462-T466 PolarHBondContact O-OG1 3.25Å; F462-T466 VanDerWaalsContact O-OG1 3.07Å
463V87.6Confident87.1Confident1 Ų18.8 Ų8.81%0.0064%0.042CC..Hα-helixtrans-61-46.11771730000111.5W372 M377 F459 N460 T466 L467 Q503W372-V463 HydrophobicContact CH2-CG1 4.39Å; W372-V463 HydrophobicContact CZ3-CG1 4.33Å; W372-V463 HydrophobicContact CZ3-CG2 3.83Å; M377-V463 HydrophobicContact CE-CB 3.89Å; M377-V463 HydrophobicContact CE-CG1 3.36Å; M377-V463 HydrophobicContact CE-CG2 3.69Å; M377-V463 HydrophobicContact SD-CG1 4.41Å; F459-V463 HydrophobicContact CD1-CG2 4.39Å; F459-V463 HydrophobicContact CD2-CG2 4.14Å; F459-V463 HydrophobicContact CE1-CG2 4.03Å; F459-V463 HydrophobicContact CE2-CG2 3.76Å; F459-V463 HydrophobicContact CG-CG2 4.45Å; F459-V463 HydrophobicContact CZ-CG2 3.7Å; F459-V463 WeakPolarHBondContact O-CG2 3.5Å; F459-V463 PolarHBondContact O-N 3.15Å; N460-V463 PolarHBondContact O-N 2.92Å; V463-T466 PolarHBondContact O-N 2.96Å; V463-L467 PolarHBondContact O-N 3.25Å; V463-Q503 HydrophobicContact CG1-CG 3.79Å
464L88.3Confident87.1Confident3 Ų35.9 Ų5.92%0.0163%0.027CC..Hα-helixtrans-66.8-40.1179.9-75.5168.5000112.2N460 T461 T466 L467 F468 L500 W518 C521N460-L464 WeakPolarHBondContact O-CB 3.24Å; N460-L464 WeakPolarHBondContact O-CG 3.5Å; N460-L464 PolarHBondContact O-N 3.21Å; T461-L464 PolarHBondContact O-N 3.35Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 PolarHBondContact O-N 3.38Å; L464-L467 WeakPolarHBondContact O-CB 3.29Å; L464-L467 PolarHBondContact O-N 3.24Å; L464-F468 WeakPolarHBondContact O-CD2 3.17Å; L464-F468 PolarHBondContact O-N 3.24Å; L464-L500 HydrophobicContact CD2-CD2 3.84Å; L464-W518 HydrophobicContact CD1-CE3 4.43Å; L464-W518 HydrophobicContact CD1-CZ3 4.25Å; L464-C521 HydrophobicContact CD1-CB 3.66Å
465M90.6Very high86.7Confident0 Ų07 Ų70%03%0.033CC..Hα-helixtrans-60.8-43.2173.3-72.2162.549.400111.4Q422 V425 I426 T461 F462 L467 F468 N469Q422-M465 HydrophobicContact CB-CE 3.4Å; Q422-M465 VanDerWaalsContact CB-CE 3.4Å; Q422-M465 HydrophobicContact CG-CE 3.4Å; V425-M465 HydrophobicContact CB-CE 4.17Å; V425-M465 HydrophobicContact CB-SD 4.19Å; V425-M465 HydrophobicContact CG1-CE 4.36Å; V425-M465 HydrophobicContact CG1-SD 3.74Å; I426-M465 HydrophobicContact CD1-SD 4.47Å; I426-M465 HydrophobicContact CG1-CE 4.31Å; T461-M465 HydrophobicContact CG2-CG 4.25Å; T461-M465 HydrophobicContact CG2-SD 3.48Å; T461-M465 WeakPolarHBondContact CG2-SD 3.45Å; T461-M465 WeakPolarHBondContact O-CB 3.3Å; T461-M465 WeakPolarHBondContact O-CG 3.38Å; T461-M465 PolarHBondContact O-N 3.26Å; F462-M465 PolarHBondContact O-N 2.78Å; M465-L467 VanDerWaalsContact C-N 3.31Å; M465-L467 PolarHBondContact O-N 3.15Å; M465-F468 PolarHBondContact O-N 3.36Å; M465-N469 VanDerWaalsContact O-CB 3.26Å; M465-N469 WeakPolarHBondContact O-CB 3.3Å; M465-N469 PolarHBondContact O-N 3.38Å
466T89.1Confident86.3Confident0 Ų06.4 Ų6.40%03%0.03CC..Hα-helixtrans-59.3-42.2174.4-63.10000111.8F341 V345 M377 F462 V463 L464 N469 E470F341-T466 HydrophobicContact CE2-CG2 3.65Å; F341-T466 WeakPolarHBondContact CE2-O 3.18Å; F341-T466 HydrophobicContact CZ-CG2 3.48Å; F341-T466 VanDerWaalsContact CZ-CG2 3.48Å; V345-T466 HydrophobicContact CG1-CG2 4.43Å; V345-T466 HydrophobicContact CG2-CG2 3.52Å; M377-T466 HydrophobicContact CG-CG2 4.47Å; M377-T466 HydrophobicContact SD-CG2 3.43Å; M377-T466 WeakPolarHBondContact SD-CG2 3.3Å; F462-T466 PolarHBondContact O-N 3.46Å; F462-T466 PolarHBondContact O-OG1 3.25Å; F462-T466 VanDerWaalsContact O-OG1 3.07Å; V463-T466 PolarHBondContact O-N 2.96Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 PolarHBondContact O-N 3.38Å; T466-N469 WeakPolarHBondContact O-CB 3.35Å; T466-N469 PolarHBondContact O-N 3.15Å; T466-E470 PolarHBondContact O-N 3.3Å
467L87.7Confident85.5Confident8 Ų811.2 Ų11.24%0.0425%0.052CC..Hα-helixtrans-62.7-43.8176.8-176.2149.1000112.8V463 L464 M465 E470 L496 T499 L500V463-L467 PolarHBondContact O-N 3.25Å; L464-L467 WeakPolarHBondContact O-CB 3.29Å; L464-L467 PolarHBondContact O-N 3.24Å; M465-L467 VanDerWaalsContact C-N 3.31Å; M465-L467 PolarHBondContact O-N 3.15Å; L467-E470 VanDerWaalsContact O-CB 3.27Å; L467-E470 WeakPolarHBondContact O-CB 3.45Å; L467-E470 PolarHBondContact O-N 2.97Å; L467-L496 HydrophobicContact CD1-CD1 4.02Å; L467-L496 HydrophobicContact CD1-CG 4.47Å; L467-L496 HydrophobicContact CD2-CD1 3.6Å; L467-L496 HydrophobicContact CD2-CG 4.35Å; L467-L496 HydrophobicContact CG-CD1 3.58Å; L467-L496 HydrophobicContact CG-CG 4.48Å; L467-T499 WeakPolarHBondContact CD1-OG1 3.37Å; L467-L500 HydrophobicContact CD1-CD1 4.48Å; L467-L500 HydrophobicContact CD1-CD2 3.89Å; L467-L500 HydrophobicContact CD1-CG 3.74Å
468F88.1Confident84.3Confident25 Ų2512 Ų1211%0.116%0.061CC..Hα-helixtrans-71.7-31.1176-74-67.5000112.8L464 M465 E470 I471 N472 L522 G525 F526 L529L464-F468 WeakPolarHBondContact O-CD2 3.17Å; L464-F468 PolarHBondContact O-N 3.24Å; M465-F468 PolarHBondContact O-N 3.36Å; F468-E470 VanDerWaalsContact C-N 3.3Å; F468-I471 HydrophobicContact CD1-CD1 4.11Å; F468-I471 WeakPolarHBondContact O-CB 3.45Å; F468-I471 PolarHBondContact O-N 3.33Å; F468-N472 PolarHBondContact O-N 2.86Å; F468-L522 HydrophobicContact CE2-CD1 4.03Å; F468-L522 HydrophobicContact CZ-CD1 3.91Å; F468-G525 WeakPolarHBondContact CB-O 3.21Å; F468-G525 VanDerWaalsContact CD2-CA 3.49Å; F468-G525 VanDerWaalsContact CD2-O 3.28Å; F468-G525 WeakPolarHBondContact CD2-O 3.36Å; F468-G525 WeakPolarHBondContact CG-O 3.36Å; F468-F526 HydrophobicContact CE1-CD2 4.22Å; F468-F526 HydrophobicContact CZ-CB 4.43Å; F468-L529 HydrophobicContact CB-CB 4.25Å; F468-L529 HydrophobicContact CD1-CB 4.27Å; F468-L529 HydrophobicContact CD1-CD2 4.25Å
469N87.8Confident83.1Confident0 Ų015.3 Ų15.30%08%0.076CC..Hα-helixtrans-65.3-33171.7-179.853.4000112.2T344 N418 M465 T466 I471 N472 A473 D528T344-N469 PolarHBondContact OG1-ND2 3.3Å; N418-N469 PolarHBondContact ND2-OD1 3.26Å; M465-N469 VanDerWaalsContact O-CB 3.26Å; M465-N469 WeakPolarHBondContact O-CB 3.3Å; M465-N469 PolarHBondContact O-N 3.38Å; T466-N469 WeakPolarHBondContact O-CB 3.35Å; T466-N469 PolarHBondContact O-N 3.15Å; N469-I471 VanDerWaalsContact C-N 3.31Å; N469-I471 PolarHBondContact O-N 3.42Å; N469-N472 PolarHBondContact O-N 3.16Å; N469-A473 VanDerWaalsContact O-CB 3.31Å; N469-A473 WeakPolarHBondContact O-CB 3.37Å; N469-A473 PolarHBondContact O-N 3.31Å; N469-D528 WeakPolarHBondContact CB-OD2 3.08Å
470E86.2Confident81.8Confident5 Ų517.1 Ų17.12%0.02310%0.096CC..Hα-helixtrans-57.9-43.8172.6-170.5-176.7164.700111.4F341 A381 A384 T466 L467 F468 A473 R474 Y492F341-E470 HydrophobicContact CD2-CB 4.09Å; F341-E470 HydrophobicContact CD2-CG 4.49Å; F341-E470 HydrophobicContact CE2-CB 3.78Å; F341-E470 HydrophobicContact CE2-CG 4.32Å; A381-E470 HydrophobicContact CB-CG 4.26Å; A381-E470 WeakPolarHBondContact CB-OE2 3.17Å; A384-E470 WeakPolarHBondContact CB-OE1 3.36Å; T466-E470 PolarHBondContact O-N 3.3Å; L467-E470 VanDerWaalsContact O-CB 3.27Å; L467-E470 WeakPolarHBondContact O-CB 3.45Å; L467-E470 PolarHBondContact O-N 2.97Å; F468-E470 VanDerWaalsContact C-N 3.3Å; E470-A473 PolarHBondContact O-N 2.91Å; E470-R474 PolarHBondContact O-N 3.3Å; E470-Y492 HydrophobicContact CG-CE2 4.36Å
471I86Confident80.9Confident11 Ų1122.6 Ų22.66%0.05613%0.126CC..Hα-helixtrans-61.2-47.6175.2-61.8168.1000110.1F468 N469 A473 R474 V482 L486 Y492 L496 L529F468-I471 HydrophobicContact CD1-CD1 4.11Å; F468-I471 WeakPolarHBondContact O-CB 3.45Å; F468-I471 PolarHBondContact O-N 3.33Å; N469-I471 VanDerWaalsContact C-N 3.31Å; N469-I471 PolarHBondContact O-N 3.42Å; I471-A473 PolarHBondContact O-N 3.33Å; I471-R474 WeakPolarHBondContact O-CB 3.4Å; I471-R474 PolarHBondContact O-N 3.5Å; I471-V482 HydrophobicContact CG2-CG1 3.56Å; I471-V482 WeakPolarHBondContact O-CG1 3.44Å; I471-L486 HydrophobicContact CG1-CD1 4.46Å; I471-L486 HydrophobicContact CG2-CD1 4.11Å; I471-Y492 WeakPolarHBondContact CA-OH 3.35Å; I471-Y492 VanDerWaalsContact CG1-OH 3.26Å; I471-Y492 WeakPolarHBondContact CG1-OH 3.39Å; I471-L496 HydrophobicContact CG1-CD1 4.5Å; I471-L529 HydrophobicContact CB-CD1 3.97Å; I471-L529 HydrophobicContact CG2-CD1 3.71Å
472N85.9Confident80Confident11 Ų1122.8 Ų22.86%0.05913%0.127CC..Hα-helixtrans-64.5-34177.1-84.6-23.1000114F468 N469 R474 D528 L529 Q533F468-N472 PolarHBondContact O-N 2.86Å; N469-N472 PolarHBondContact O-N 3.16Å; N472-R474 PolarHBondContact O-N 3.35Å; N472-D528 PolarHBondContact ND2-O 3.4Å; N472-L529 VanDerWaalsContact ND2-CA 3.34Å; N472-L529 WeakPolarHBondContact ND2-CA 3.49Å; N472-L529 PolarHBondContact ND2-O 3.03Å; N472-L529 WeakPolarHBondContact OD1-CD1 3.43Å; N472-L529 PolarHBondContact OD1-O 3.24Å; N472-Q533 PolarHBondContact OD1-NE2 3.24Å
473A83.6Confident79.2Confident1 Ų128.7 Ų28.71%0.00815%0.153CC..Hα-helixtrans-73.4-12.4-178.400000113.4Q340 F341 N469 E470 I471 E475Q340-A473 HydrophobicContact CG-CB 4.5Å; F341-A473 HydrophobicContact CB-CB 3.84Å; F341-A473 HydrophobicContact CD2-CB 4.48Å; N469-A473 VanDerWaalsContact O-CB 3.31Å; N469-A473 WeakPolarHBondContact O-CB 3.37Å; N469-A473 PolarHBondContact O-N 3.31Å; E470-A473 PolarHBondContact O-N 2.91Å; I471-A473 PolarHBondContact O-N 3.33Å; A473-E475 PolarHBondContact O-N 2.85Å
474R82.4Confident78.2Confident20 Ų2034.2 Ų34.28%0.07518%0.182CC..THydrogen-bonded Turntrans-62.6-27.8175.9-165.2172.1163.4-109-13113.3K337 E388 E470 I471 N472 V482 N484 G485K337-R474 WeakPolarHBondContact CD-O 3.21Å; K337-R474 WeakPolarHBondContact CE-O 3.17Å; K337-R474 PolarHBondContact NZ-O 2.97Å; E388-R474 VanDerWaalsContact OE1-CD 3.29Å; E388-R474 WeakPolarHBondContact OE1-CD 3.21Å; E388-R474 WeakPolarHBondContact OE1-CG 3.4Å; E388-R474 IonicContact OE1-CZ 3.35Å; E388-R474 IonicContact OE1-NE 2.68Å; E388-R474 PolarHBondContact OE1-NE 3.44Å; E388-R474 IonicContact OE1-NH2 3.7Å; E470-R474 PolarHBondContact O-N 3.3Å; I471-R474 WeakPolarHBondContact O-CB 3.4Å; I471-R474 PolarHBondContact O-N 3.5Å; N472-R474 PolarHBondContact O-N 3.35Å; R474-V482 PolarHBondContact NH1-O 2.81Å; R474-N484 VanDerWaalsContact CZ-O 3.31Å; R474-N484 PolarHBondContact NH1-O 3.31Å; R474-N484 PolarHBondContact NH2-O 3.17Å; R474-G485 VanDerWaalsContact NH2-C 3.32Å; R474-G485 PolarHBondContact NH2-O 3.44Å; R474-G485 VanDerWaalsContact NH2-O 3.11Å
475E78.3Confident77.2Confident27 Ų2735.1 Ų35.113%0.12619%0.192CC..  trans-113.7119.2178.8-69.5-59.9157.500112.2A473 Q479 V482A473-E475 PolarHBondContact O-N 2.85Å; E475-Q479 PolarHBondContact OE2-OE1 3.5Å; E475-V482 HydrophobicContact CB-CG2 4.05Å; E475-V482 HydrophobicContact CG-CG2 3.94Å
476I75.6Confident76.4Confident9 Ų935.7 Ų35.75%0.04620%0.195CC..  trans-98.4-38.1-178.4-50177.4000111.7A336 K337 M411 G478A336-I476 HydrophobicContact CB-CD1 3.46Å; A336-I476 VanDerWaalsContact CB-CD1 3.46Å; K337-I476 HydrophobicContact CB-CD1 4.35Å; K337-I476 HydrophobicContact CG-CD1 3.55Å; K337-I476 HydrophobicContact CG-CG1 3.66Å; M411-I476 HydrophobicContact CB-CG2 4.32Å; I476-G478 PolarHBondContact O-N 3.05Å
477H69.3Low75.5Confident102 Ų10244.6 Ų44.647%0.47223%0.229SC..SBendtrans-87.717.4-163.3-66.8-53000114.6D333 R397 Y400 Q479D333-H477 IonicContact OD2-NE2 4Å; R397-H477 PolarHBondContact NH1-NE2 3.19Å; Y400-H477 PolarHBondContact OH-CE1 3.24Å; Y400-H477 PolarHBondContact OH-NE2 3.06Å; H477-Q479 VanDerWaalsContact C-N 3.34Å
478G61.9Low74.8Confident19 Ų1948.2 Ų48.220%0.19625%0.254CS..  trans75.522.1178.200000113.9I476 G480I476-G478 PolarHBondContact O-N 3.05Å; G478-G480 PolarHBondContact O-N 3.28Å
479Q64.1Low74Confident69 Ų6947.5 Ų47.532%0.32225%0.251SS..  trans-68.2126.5169.5-60.8-168.8-6.500108.7E393 E475 H477 N481E393-Q479 PolarHBondContact OE1-NE2 3.05Å; E393-Q479 PolarHBondContact OE2-NE2 3.29Å; E475-Q479 PolarHBondContact OE2-OE1 3.5Å; H477-Q479 VanDerWaalsContact C-N 3.34Å; Q479-N481 VanDerWaalsContact C-N 3.31Å; Q479-N481 PolarHBondContact O-N 3.22Å
480G57.8Low73.5Confident42 Ų4252.1 Ų52.143%0.43328%0.281SS..SBendtrans-76.4-12-17500000115.1G478 V482 Q533G478-G480 PolarHBondContact O-N 3.28Å; G480-V482 PolarHBondContact O-N 2.98Å; G480-Q533 PolarHBondContact O-OE1 3.39Å
481N68.3Low73.2Confident119 Ų11954.7 Ų54.764%0.63630%0.295SS*.  trans-102.176.1-175-73.7-4.8000111.7Q479 F483 N484Q479-N481 VanDerWaalsContact C-N 3.31Å; Q479-N481 PolarHBondContact O-N 3.22Å; N481-F483 PolarHBondContact O-N 3.47Å; N481-N484 HydrophobicContact CB-CB 4.22Å; N481-N484 WeakPolarHBondContact O-CB 3.33Å; N481-N484 PolarHBondContact O-N 3.19Å; N481-N484 VanDerWaalsContact O-N 3.16Å
482V71.6Confident73Confident4 Ų454.3 Ų54.32%0.02429%0.292CS..THydrogen-bonded Turntrans-67.5-22.6-178.4171.40000114.1I471 R474 E475 G480 N484 Q533I471-V482 HydrophobicContact CG2-CG1 3.56Å; I471-V482 WeakPolarHBondContact O-CG1 3.44Å; R474-V482 PolarHBondContact NH1-O 2.81Å; E475-V482 HydrophobicContact CB-CG2 4.05Å; E475-V482 HydrophobicContact CG-CG2 3.94Å; G480-V482 PolarHBondContact O-N 2.98Å; V482-N484 VanDerWaalsContact C-N 3.29Å; V482-N484 PolarHBondContact O-N 2.78Å; V482-Q533 VanDerWaalsContact CB-NE2 3.31Å
483F72.4Confident72.6Confident126 Ų12654.9 Ų54.955%0.55330%0.295SS*.THydrogen-bonded Turntrans-79-7.7176.1-60.4-69.5000114.1N481 G485 L486 L529N481-F483 PolarHBondContact O-N 3.47Å; F483-G485 PolarHBondContact O-N 3.06Å; F483-L486 PolarHBondContact O-N 2.95Å; F483-L529 HydrophobicContact CE1-CD2 4.2Å; F483-L529 HydrophobicContact CZ-CD2 3.76Å
484N67.1Low72.6Confident118 Ų11859 Ų5963%0.63132%0.324SS*.THydrogen-bonded Turntrans-70.3117.1-175.4-167.210.7000111R474 N481 V482R474-N484 VanDerWaalsContact CZ-O 3.31Å; R474-N484 PolarHBondContact NH1-O 3.31Å; R474-N484 PolarHBondContact NH2-O 3.17Å; N481-N484 HydrophobicContact CB-CB 4.22Å; N481-N484 WeakPolarHBondContact O-CB 3.33Å; N481-N484 PolarHBondContact O-N 3.19Å; N481-N484 VanDerWaalsContact O-N 3.16Å; V482-N484 VanDerWaalsContact C-N 3.29Å; V482-N484 PolarHBondContact O-N 2.78Å
485G68.1Low72.6Confident21 Ų2158.9 Ų58.922%0.21632%0.324CS..THydrogen-bonded Turntrans74.618.7-179.600000115.5R474 F483 W487 C488R474-G485 VanDerWaalsContact NH2-C 3.32Å; R474-G485 PolarHBondContact NH2-O 3.44Å; R474-G485 VanDerWaalsContact NH2-O 3.11Å; F483-G485 PolarHBondContact O-N 3.06Å; G485-W487 PolarHBondContact O-N 3.11Å; G485-C488 VanDerWaalsContact CA-SG 3.6Å; G485-C488 WeakPolarHBondContact O-CB 3.47Å; G485-C488 PolarHBondContact O-N 3.31Å
486L72.6Confident72.6Confident13 Ų1358.5 Ų58.57%0.06832%0.323CS..G310 helixtrans-53.4-44.3177.2-163.983.8000111.4I471 F483 C488 Y492I471-L486 HydrophobicContact CG1-CD1 4.46Å; I471-L486 HydrophobicContact CG2-CD1 4.11Å; F483-L486 PolarHBondContact O-N 2.95Å; L486-C488 VanDerWaalsContact C-N 3.34Å; L486-C488 PolarHBondContact O-N 3.5Å; L486-Y492 HydrophobicContact CD1-CE1 3.66Å; L486-Y492 HydrophobicContact CG-CE1 3.93Å
487W71.6Confident72.9Confident186 Ų18662.3 Ų62.371%0.70534%0.342SS*.G310 helixtrans-88.710.6-174.8-55.898.3000114.5G485G485-W487 PolarHBondContact O-N 3.11Å
488C71.6Confident73.4Confident85 Ų8559.1 Ų59.157%0.57434%0.337SS*.G310 helixtrans-78.8-26.5-179.2-69.20000112.4G485 L486G485-C488 VanDerWaalsContact CA-SG 3.6Å; G485-C488 WeakPolarHBondContact O-CB 3.47Å; G485-C488 PolarHBondContact O-N 3.31Å; L486-C488 VanDerWaalsContact C-N 3.34Å; L486-C488 PolarHBondContact O-N 3.5Å
489N71.8Confident74.1Confident9 Ų959 Ų595%0.04833%0.332CS..  trans-111.5106.2-173.5-65.5-39.9000110.5M389 I491 Y492 D493M389-N489 WeakPolarHBondContact CE-OD1 3.27Å; N489-I491 PolarHBondContact O-N 3.3Å; N489-I491 VanDerWaalsContact O-N 3.11Å; N489-Y492 VanDerWaalsContact O-CB 3.29Å; N489-Y492 WeakPolarHBondContact O-CB 3.28Å; N489-Y492 PolarHBondContact O-N 2.92Å; N489-D493 PolarHBondContact O-N 2.96Å
490P77.4Confident74.8Confident97 Ų9758.6 Ų58.663%0.6333%0.332SS*.Hα-helixtrans-64.8-22.6-176.626.1-35.3000113.2C494P490-C494 WeakPolarHBondContact O-CB 3.4Å; P490-C494 PolarHBondContact O-N 3.38Å
491I80.5Confident75.6Confident60 Ų6061.9 Ų61.931%0.30834%0.339SS..Hα-helixtrans-67.2-41.3174.2-60.5173.4000110.2Y59 T387 N489 C494 I495Y59-I491 HydrophobicContact CE2-CD1 3.95Å; T387-I491 HydrophobicContact CG2-CD1 4.01Å; T387-I491 HydrophobicContact CG2-CG2 4.25Å; N489-I491 PolarHBondContact O-N 3.3Å; N489-I491 VanDerWaalsContact O-N 3.11Å; I491-C494 PolarHBondContact O-N 3.43Å; I491-I495 HydrophobicContact CG2-CD1 3.71Å; I491-I495 WeakPolarHBondContact O-CD1 3.46Å; I491-I495 VanDerWaalsContact O-CG1 3.26Å; I491-I495 WeakPolarHBondContact O-CG1 3.42Å; I491-I495 PolarHBondContact O-N 3.37Å
492Y80.2Confident75.9Confident2 Ų257.6 Ų57.61%0.00832%0.32CS..Hα-helixtrans-61.8-51.5178-177-89.1000110.6A384 E470 I471 L486 N489 C494 I495 L496A384-Y492 HydrophobicContact CB-CD2 3.41Å; A384-Y492 VanDerWaalsContact CB-CD2 3.41Å; A384-Y492 HydrophobicContact CB-CE2 3.93Å; A384-Y492 HydrophobicContact CB-CG 4.27Å; E470-Y492 HydrophobicContact CG-CE2 4.36Å; I471-Y492 WeakPolarHBondContact CA-OH 3.35Å; I471-Y492 VanDerWaalsContact CG1-OH 3.26Å; I471-Y492 WeakPolarHBondContact CG1-OH 3.39Å; L486-Y492 HydrophobicContact CD1-CE1 3.66Å; L486-Y492 HydrophobicContact CG-CE1 3.93Å; N489-Y492 VanDerWaalsContact O-CB 3.29Å; N489-Y492 WeakPolarHBondContact O-CB 3.28Å; N489-Y492 PolarHBondContact O-N 2.92Å; Y492-C494 VanDerWaalsContact C-N 3.3Å; Y492-C494 PolarHBondContact O-N 2.88Å; Y492-I495 PolarHBondContact O-N 3.4Å; Y492-I495 VanDerWaalsContact O-N 3.14Å; Y492-L496 PolarHBondContact O-N 3.38Å
493D78.9Confident76Confident23 Ų2357.9 Ų57.912%0.12332%0.321CS..Hα-helixtrans-61.2-39.9179.4-61.2-27.4000112N489 I495 L496 I497N489-D493 PolarHBondContact O-N 2.96Å; D493-I495 VanDerWaalsContact C-N 3.34Å; D493-I495 PolarHBondContact O-N 3.47Å; D493-L496 PolarHBondContact O-N 3.49Å; D493-I497 WeakPolarHBondContact O-CB 3.28Å; D493-I497 WeakPolarHBondContact O-CD1 2.97Å; D493-I497 WeakPolarHBondContact O-CG1 3.41Å; D493-I497 PolarHBondContact O-N 2.98Å
494C83.2Confident76Confident89 Ų8959 Ų5960%0.60133%0.326SS*.Hα-helixtrans-62.5-40.2177.1-174.10000112.2P490 I491 Y492 G498P490-C494 WeakPolarHBondContact O-CB 3.4Å; P490-C494 PolarHBondContact O-N 3.38Å; I491-C494 PolarHBondContact O-N 3.43Å; Y492-C494 VanDerWaalsContact C-N 3.3Å; Y492-C494 PolarHBondContact O-N 2.88Å; C494-G498 WeakPolarHBondContact O-CA 3.35Å; C494-G498 PolarHBondContact O-N 2.95Å
495I81.8Confident75.9Confident16 Ų1654.8 Ų54.88%0.08231%0.31CS..Hα-helixtrans-70.6-43.3178.6-69.6164.1000110.6F380 L383 A384 I491 Y492 D493 I497 G498 T499F380-I495 HydrophobicContact CB-CG1 4.41Å; F380-I495 HydrophobicContact CB-CG2 3.91Å; F380-I495 HydrophobicContact CD1-CG1 4.47Å; F380-I495 WeakPolarHBondContact O-CD1 3.36Å; L383-I495 HydrophobicContact CB-CD1 4.42Å; A384-I495 HydrophobicContact CB-CD1 4.01Å; A384-I495 HydrophobicContact CB-CG2 4.44Å; I491-I495 HydrophobicContact CG2-CD1 3.71Å; I491-I495 WeakPolarHBondContact O-CD1 3.46Å; I491-I495 VanDerWaalsContact O-CG1 3.26Å; I491-I495 WeakPolarHBondContact O-CG1 3.42Å; I491-I495 PolarHBondContact O-N 3.37Å; Y492-I495 PolarHBondContact O-N 3.4Å; Y492-I495 VanDerWaalsContact O-N 3.14Å; D493-I495 VanDerWaalsContact C-N 3.34Å; D493-I495 PolarHBondContact O-N 3.47Å; I495-I497 PolarHBondContact O-N 2.78Å; I495-G498 PolarHBondContact O-N 3.46Å; I495-T499 WeakPolarHBondContact O-CB 3.43Å; I495-T499 VanDerWaalsContact O-CG2 3.31Å; I495-T499 WeakPolarHBondContact O-CG2 3.43Å; I495-T499 PolarHBondContact O-N 3.19Å; I495-T499 PolarHBondContact O-OG1 2.99Å
496L79.7Confident75.6Confident20 Ų2056.9 Ų56.911%0.10533%0.332CS..Hα-helixtrans-61.4-45.2177.3-16478000111.7L467 I471 Y492 D493 T499 L500L467-L496 HydrophobicContact CD1-CD1 4.02Å; L467-L496 HydrophobicContact CD1-CG 4.47Å; L467-L496 HydrophobicContact CD2-CD1 3.6Å; L467-L496 HydrophobicContact CD2-CG 4.35Å; L467-L496 HydrophobicContact CG-CD1 3.58Å; L467-L496 HydrophobicContact CG-CG 4.48Å; I471-L496 HydrophobicContact CG1-CD1 4.5Å; Y492-L496 PolarHBondContact O-N 3.38Å; D493-L496 PolarHBondContact O-N 3.49Å; L496-T499 PolarHBondContact O-OG1 2.99Å; L496-L500 WeakPolarHBondContact O-CG 3.22Å; L496-L500 PolarHBondContact O-N 3.01Å
497I81.4Confident74.9Confident88 Ų8864.5 Ų64.545%0.45137%0.365SS..Hα-helixtrans-70.5-43.1177.9-66.4166.6000110.6D493 I495 T499 L500 I501D493-I497 WeakPolarHBondContact O-CB 3.28Å; D493-I497 WeakPolarHBondContact O-CD1 2.97Å; D493-I497 WeakPolarHBondContact O-CG1 3.41Å; D493-I497 PolarHBondContact O-N 2.98Å; I495-I497 PolarHBondContact O-N 2.78Å; I497-T499 VanDerWaalsContact C-N 3.32Å; I497-T499 PolarHBondContact O-N 3.23Å; I497-L500 PolarHBondContact O-N 3.37Å; I497-I501 HydrophobicContact CG2-CD1 3.66Å; I497-I501 HydrophobicContact CG2-CG1 4.28Å; I497-I501 VanDerWaalsContact O-CG1 3.31Å; I497-I501 WeakPolarHBondContact O-CG1 3.38Å; I497-I501 PolarHBondContact O-N 3.12Å
498G79.8Confident74.4Confident35 Ų3557.2 Ų57.236%0.36134%0.338SS..Hα-helixtrans-61.8-38.9-179.600000112.8C494 I495 I501 A502C494-G498 WeakPolarHBondContact O-CA 3.35Å; C494-G498 PolarHBondContact O-N 2.95Å; I495-G498 PolarHBondContact O-N 3.46Å; G498-I501 PolarHBondContact O-N 3.46Å; G498-A502 WeakPolarHBondContact O-CB 3.46Å; G498-A502 PolarHBondContact O-N 2.87Å
499T76.9Confident73.8Confident16 Ų1656.6 Ų56.610%0.09834%0.335CS..Hα-helixtrans-69.8-37.8175.4510000112.2L467 I495 L496 I497 A502 Q503L467-T499 WeakPolarHBondContact CD1-OG1 3.37Å; I495-T499 WeakPolarHBondContact O-CB 3.43Å; I495-T499 VanDerWaalsContact O-CG2 3.31Å; I495-T499 WeakPolarHBondContact O-CG2 3.43Å; I495-T499 PolarHBondContact O-N 3.19Å; I495-T499 PolarHBondContact O-OG1 2.99Å; L496-T499 PolarHBondContact O-OG1 2.99Å; I497-T499 VanDerWaalsContact C-N 3.32Å; I497-T499 PolarHBondContact O-N 3.23Å; T499-A502 PolarHBondContact O-N 3.15Å; T499-Q503 WeakPolarHBondContact O-CG 3.46Å; T499-Q503 PolarHBondContact O-N 3.42Å
500L78Confident73.7Confident62 Ų6257.6 Ų57.633%0.32534%0.341SS..Hα-helixtrans-62.6-45.4171.7-73.7168.6000111.9L464 L467 L496 I497 A502 Q503 F504L464-L500 HydrophobicContact CD2-CD2 3.84Å; L467-L500 HydrophobicContact CD1-CD1 4.48Å; L467-L500 HydrophobicContact CD1-CD2 3.89Å; L467-L500 HydrophobicContact CD1-CG 3.74Å; L496-L500 WeakPolarHBondContact O-CG 3.22Å; L496-L500 PolarHBondContact O-N 3.01Å; I497-L500 PolarHBondContact O-N 3.37Å; L500-A502 VanDerWaalsContact C-N 3.31Å; L500-A502 PolarHBondContact O-N 3.37Å; L500-Q503 PolarHBondContact O-N 3.48Å; L500-F504 VanDerWaalsContact O-CD2 3.28Å; L500-F504 WeakPolarHBondContact O-CD2 3.48Å
501I75.5Confident73.5Confident110 Ų11053.9 Ų53.956%0.56432%0.319SS*.Hα-helixtrans-62.1-40.3177.4-67.3168.6000110.9I497 G498 Q503 F504 G505I497-I501 HydrophobicContact CG2-CD1 3.66Å; I497-I501 HydrophobicContact CG2-CG1 4.28Å; I497-I501 VanDerWaalsContact O-CG1 3.31Å; I497-I501 WeakPolarHBondContact O-CG1 3.38Å; I497-I501 PolarHBondContact O-N 3.12Å; G498-I501 PolarHBondContact O-N 3.46Å; I501-Q503 PolarHBondContact O-N 3.1Å; I501-F504 PolarHBondContact O-N 2.8Å; I501-F504 VanDerWaalsContact O-N 3.1Å; I501-G505 PolarHBondContact O-N 3.12Å
502A74Confident73.3Confident29 Ų2956.1 Ų56.124%0.2434%0.34CS..Hα-helixtrans-60.2-28.9-179.900000112.9W372 G498 T499 L500 G505W372-A502 HydrophobicContact CZ2-CB 4.03Å; G498-A502 WeakPolarHBondContact O-CB 3.46Å; G498-A502 PolarHBondContact O-N 2.87Å; T499-A502 PolarHBondContact O-N 3.15Å; L500-A502 VanDerWaalsContact C-N 3.31Å; L500-A502 PolarHBondContact O-N 3.37Å; A502-G505 PolarHBondContact O-N 3.27Å
503Q73.6Confident73.1Confident11 Ų1157.3 Ų57.35%0.05135%0.345CS..Hα-helixtrans-74.3-27.4177.9-55.4174.439.500113.3V463 T499 L500 I501 G505 W518V463-Q503 HydrophobicContact CG1-CG 3.79Å; T499-Q503 WeakPolarHBondContact O-CG 3.46Å; T499-Q503 PolarHBondContact O-N 3.42Å; L500-Q503 PolarHBondContact O-N 3.48Å; I501-Q503 PolarHBondContact O-N 3.1Å; Q503-G505 VanDerWaalsContact C-N 3.26Å; Q503-W518 HydrophobicContact CB-CH2 3.62Å; Q503-W518 HydrophobicContact CB-CZ3 4.34Å; Q503-W518 VanDerWaalsContact OE1-CZ3 3.31Å
504F72.6Confident73.3Confident148 Ų14858.8 Ų58.865%0.64936%0.357SS*.Hα-helixtrans-74.8-19.4172.6-68.9-77.6000112.4L500 I501 G506 W518L500-F504 VanDerWaalsContact O-CD2 3.28Å; L500-F504 WeakPolarHBondContact O-CD2 3.48Å; I501-F504 PolarHBondContact O-N 2.8Å; I501-F504 VanDerWaalsContact O-N 3.1Å; F504-G506 PolarHBondContact O-N 3.39Å; F504-W518 HydrophobicContact CD1-CZ2 4.32Å; F504-W518 HydrophobicContact CE1-CZ2 4.3Å
505G63.8Low73.4Confident30 Ų3060 Ų6031%0.30936%0.362SS..  trans-67.8112.2175.300000111.1I501 A502 Q503 F507I501-G505 PolarHBondContact O-N 3.12Å; A502-G505 PolarHBondContact O-N 3.27Å; Q503-G505 VanDerWaalsContact C-N 3.26Å; G505-F507 PolarHBondContact O-N 2.96Å
506G62.1Low73.7Confident65 Ų6565.4 Ų65.467%0.6739%0.387SS*.G310 helixtrans-62.29.4169.900000114.8F504 F508F504-G506 PolarHBondContact O-N 3.39Å; G506-F508 PolarHBondContact O-N 2.9Å
507F59.5Low74Confident174 Ų17465.2 Ų65.276%0.76339%0.385SS*.G310 helixtrans-61.8-22.9178.8-167-102.1000112.7G505 S509G505-F507 PolarHBondContact O-N 2.96Å; F507-S509 PolarHBondContact O-N 3.34Å
508F59.4Low74.3Confident33 Ų3363.5 Ų63.515%0.14537%0.373CS..G310 helixtrans-10029.5-169-65.4-68.3000116W372 G506 T510W372-F508 HydrophobicContact CB-CE1 4.33Å; W372-F508 AromaticContact CD1-CE1 3.27Å; W372-F508 AromaticContact CD1-CZ 3.36Å; W372-F508 HydrophobicContact CD2-CE1 4.29Å; W372-F508 HydrophobicContact CD2-CZ 4.27Å; W372-F508 AromaticContact CE2-CZ 3.78Å; W372-F508 HydrophobicContact CG-CD1 4.33Å; W372-F508 AromaticContact CG-CE1 3.72Å; W372-F508 HydrophobicContact CG-CE1 3.72Å; W372-F508 HydrophobicContact CG-CZ 4.05Å; W372-F508 HydrophobicContact CZ2-CE2 4.46Å; W372-F508 AromaticContact NE1-CE1 3.64Å; W372-F508 AromaticContact NE1-CE2 3.94Å; W372-F508 AromaticContact NE1-CZ 3.18Å; G506-F508 PolarHBondContact O-N 2.9Å; F508-T510 HydrophobicContact CB-CG2 4.22Å; F508-T510 PolarHBondContact O-N 3.49Å; F508-T510 VanDerWaalsContact O-N 3.08Å
509S60.6Low74.8Confident72 Ų7266.9 Ų66.950%0.50338%0.383SS..SBendtrans49.338-179.9-60.50000112.1P451 F507P451-S509 WeakPolarHBondContact CB-O 3.11Å; P451-S509 WeakPolarHBondContact CG-O 3.48Å; F507-S509 PolarHBondContact O-N 3.34Å
510T69.3Low75.4Confident30 Ų3071.6 Ų71.618%0.18440%0.399CS..PPolyproline II helixtrans-93.5141.1178.543.50000109T456 F459 F508T456-T510 HydrophobicContact CG2-CG2 3.76Å; F459-T510 HydrophobicContact CD1-CG2 4.07Å; F459-T510 HydrophobicContact CE1-CG2 4.31Å; F508-T510 HydrophobicContact CB-CG2 4.22Å; F508-T510 PolarHBondContact O-N 3.49Å; F508-T510 VanDerWaalsContact O-N 3.08Å
511A72.9Confident75.9Confident19 Ų1968.7 Ų68.716%0.15738%0.383CS..PPolyproline II helixtrans-72.8148.6170.700000109.5Q453 T456 Q513Q453-A511 HydrophobicContact CB-CB 4.5Å; Q453-A511 HydrophobicContact CG-CB 3.73Å; T456-A511 PolarHBondContact OG1-N 3.23Å; T456-A511 VanDerWaalsContact OG1-N 3.13Å; A511-Q513 PolarHBondContact O-N 2.9Å
512S75.9Confident76.6Confident107 Ų10767.2 Ų67.275%0.74838%0.376SS*.PPolyproline II helixtrans-61.3129.1173.551.10000110
513Q77.1Confident77.5Confident26 Ų2672.1 Ų72.112%0.12139%0.393CS..PPolyproline II helixtrans-99.9146.4177.6-73.5-173.3-16.600111.2T456 N460 A511 Q517T456-Q513 HydrophobicContact CG2-CG 4.08Å; T456-Q513 PolarHBondContact O-NE2 3.38Å; T456-Q513 VanDerWaalsContact O-NE2 3.12Å; N460-Q513 PolarHBondContact ND2-NE2 2.96Å; N460-Q513 PolarHBondContact ND2-OE1 2.92Å; A511-Q513 PolarHBondContact O-N 2.9Å; Q513-Q517 HydrophobicContact CB-CB 4.28Å
514S82.6Confident78.4Confident54 Ų5473.1 Ų73.138%0.37840%0.398SS..PPolyproline II helixtrans-70.7156.8171.669.20000110.9E516 Q517 W518S514-E516 PolarHBondContact O-N 3.47Å; S514-Q517 PolarHBondContact O-N 3.27Å; S514-Q517 VanDerWaalsContact O-N 3.15Å; S514-Q517 VanDerWaalsContact OG-CG 3.31Å; S514-Q517 WeakPolarHBondContact OG-CG 3.42Å; S514-Q517 PolarHBondContact OG-N 3.1Å; S514-W518 PolarHBondContact O-N 3.03Å; S514-W518 VanDerWaalsContact O-N 3.09Å
515V85Confident79.3Confident114 Ų11466.1 Ų66.169%0.69137%0.367SS*.Hα-helixtrans-58.6-34.3176.1178.70000111.1W518 L519V515-W518 WeakPolarHBondContact O-CB 3.36Å; V515-W518 PolarHBondContact O-N 3.3Å; V515-L519 HydrophobicContact CG1-CD1 4.38Å; V515-L519 WeakPolarHBondContact O-CG 3.37Å; V515-L519 PolarHBondContact O-N 3.43Å
516E88Confident80.6Confident130 Ų13069 Ų6961%0.60737%0.371SS*.Hα-helixtrans-63.6-45.8175.9-174.1179.5176.200112.1S514 W518 L519 W520S514-E516 PolarHBondContact O-N 3.47Å; E516-W518 VanDerWaalsContact C-N 3.28Å; E516-W518 PolarHBondContact O-N 3.22Å; E516-L519 PolarHBondContact O-N 3.21Å; E516-W520 PolarHBondContact O-N 3.3Å
517Q86.9Confident82Confident16 Ų1666.7 Ų66.78%0.07535%0.347CS..Hα-helixtrans-60.3-41175.9-72168.2-300111.2F437 I457 Q513 S514 W520 C521F437-Q517 HydrophobicContact CD1-CG 4.44Å; I457-Q517 HydrophobicContact CD1-CB 4.48Å; I457-Q517 HydrophobicContact CD1-CG 3.93Å; I457-Q517 HydrophobicContact CG1-CB 4.45Å; I457-Q517 HydrophobicContact CG1-CG 4.41Å; Q513-Q517 HydrophobicContact CB-CB 4.28Å; S514-Q517 PolarHBondContact O-N 3.27Å; S514-Q517 VanDerWaalsContact O-N 3.15Å; S514-Q517 VanDerWaalsContact OG-CG 3.31Å; S514-Q517 WeakPolarHBondContact OG-CG 3.42Å; S514-Q517 PolarHBondContact OG-N 3.1Å; Q517-W520 PolarHBondContact O-N 2.88Å; Q517-C521 PolarHBondContact O-N 2.85Å; Q517-C521 PolarHBondContact O-SG 3.42Å
518W87.1Confident83.5Confident52 Ų5258.4 Ų58.420%0.19731%0.311CS..Hα-helixtrans-60.3-44.3174-87.3106.6000113.1L464 Q503 F504 S514 V515 E516 W520 C521 L522L464-W518 HydrophobicContact CD1-CE3 4.43Å; L464-W518 HydrophobicContact CD1-CZ3 4.25Å; Q503-W518 HydrophobicContact CB-CH2 3.62Å; Q503-W518 HydrophobicContact CB-CZ3 4.34Å; Q503-W518 VanDerWaalsContact OE1-CZ3 3.31Å; F504-W518 HydrophobicContact CD1-CZ2 4.32Å; F504-W518 HydrophobicContact CE1-CZ2 4.3Å; S514-W518 PolarHBondContact O-N 3.03Å; S514-W518 VanDerWaalsContact O-N 3.09Å; V515-W518 WeakPolarHBondContact O-CB 3.36Å; V515-W518 PolarHBondContact O-N 3.3Å; E516-W518 VanDerWaalsContact C-N 3.28Å; E516-W518 PolarHBondContact O-N 3.22Å; W518-W520 VanDerWaalsContact C-N 3.32Å; W518-W520 PolarHBondContact O-N 3.42Å; W518-C521 PolarHBondContact O-N 3.08Å; W518-L522 WeakPolarHBondContact O-CB 3.28Å; W518-L522 PolarHBondContact O-N 3.49Å
519L90.3Very high84.9Confident107 Ų10757 Ų5756%0.5631%0.305SS*.Hα-helixtrans-62.9-39.5177.6-73.3172.9000111.8V515 E516 L522 F523V515-L519 HydrophobicContact CG1-CD1 4.38Å; V515-L519 WeakPolarHBondContact O-CG 3.37Å; V515-L519 PolarHBondContact O-N 3.43Å; E516-L519 PolarHBondContact O-N 3.21Å; L519-L522 PolarHBondContact O-N 3.23Å; L519-F523 VanDerWaalsContact O-CB 3.31Å; L519-F523 WeakPolarHBondContact O-CB 3.25Å; L519-F523 PolarHBondContact O-N 2.95Å
520W90.1Very high86.2Confident115 Ų11557.8 Ų57.844%0.43630%0.303SS..Hα-helixtrans-66.8-41174-78.1113.2000112.8F437 E516 Q517 W518 L522 F523 L524F437-W520 HydrophobicContact CE1-CB 3.55Å; F437-W520 AromaticContact CE1-CD1 3.57Å; F437-W520 HydrophobicContact CE1-CD2 4.36Å; F437-W520 AromaticContact CE1-CG 3.55Å; F437-W520 HydrophobicContact CE1-CG 3.55Å; F437-W520 HydrophobicContact CZ-CB 3.79Å; F437-W520 HydrophobicContact CZ-CG 4.08Å; E516-W520 PolarHBondContact O-N 3.3Å; Q517-W520 PolarHBondContact O-N 2.88Å; W518-W520 VanDerWaalsContact C-N 3.32Å; W518-W520 PolarHBondContact O-N 3.42Å; W520-L522 VanDerWaalsContact C-N 3.32Å; W520-L522 PolarHBondContact O-N 3.01Å; W520-F523 HydrophobicContact CE3-CD1 4.04Å; W520-F523 HydrophobicContact CZ3-CD1 4.02Å; W520-F523 HydrophobicContact CZ3-CE1 4.27Å; W520-F523 PolarHBondContact O-N 3.13Å; W520-L524 WeakPolarHBondContact O-CG 3.41Å; W520-L524 PolarHBondContact O-N 3.47Å
521C88.7Confident87Confident0 Ų061.6 Ų61.60%031%0.314CS..Hα-helixtrans-61.7-42.1174.3-61.50000111.1T461 L464 Q517 W518 L524 G525T461-C521 PolarHBondContact OG1-SG 3.34Å; L464-C521 HydrophobicContact CD1-CB 3.66Å; Q517-C521 PolarHBondContact O-N 2.85Å; Q517-C521 PolarHBondContact O-SG 3.42Å; W518-C521 PolarHBondContact O-N 3.08Å; C521-L524 PolarHBondContact O-N 2.98Å; C521-G525 PolarHBondContact O-N 3.35Å
522L89.6Confident87.5Confident80 Ų8060.9 Ų60.942%0.41931%0.309SS..Hα-helixtrans-64.9-42.1176.5-17371.5000111.8F468 W518 L519 W520 G525 F526F468-L522 HydrophobicContact CE2-CD1 4.03Å; F468-L522 HydrophobicContact CZ-CD1 3.91Å; W518-L522 WeakPolarHBondContact O-CB 3.28Å; W518-L522 PolarHBondContact O-N 3.49Å; L519-L522 PolarHBondContact O-N 3.23Å; W520-L522 VanDerWaalsContact C-N 3.32Å; W520-L522 PolarHBondContact O-N 3.01Å; L522-G525 PolarHBondContact O-N 3.29Å; L522-F526 WeakPolarHBondContact O-CB 3.23Å; L522-F526 PolarHBondContact O-N 3.41Å
523F93.1Very high87.7Confident132 Ų13257.3 Ų57.358%0.57928%0.28SS*.Hα-helixtrans-61.9-46.8177176.2-100.4000111.9L519 W520 G525 F526 G527L519-F523 VanDerWaalsContact O-CB 3.31Å; L519-F523 WeakPolarHBondContact O-CB 3.25Å; L519-F523 PolarHBondContact O-N 2.95Å; W520-F523 HydrophobicContact CE3-CD1 4.04Å; W520-F523 HydrophobicContact CZ3-CD1 4.02Å; W520-F523 HydrophobicContact CZ3-CE1 4.27Å; W520-F523 PolarHBondContact O-N 3.13Å; F523-G525 VanDerWaalsContact C-N 3.33Å; F523-G525 PolarHBondContact O-N 3.32Å; F523-F526 PolarHBondContact O-N 3.23Å; F523-G527 PolarHBondContact O-N 3.23Å
524L92.4Very high87.8Confident32 Ų3260.8 Ų60.817%0.16830%0.299CS..Hα-helixtrans-65.2-37.3177.4-68.8174.5000112.1Y421 V425 L429 T461 W520 C521 G527 D528Y421-L524 PolarHBondContact OH-O 3.46Å; V425-L524 HydrophobicContact CG1-CB 4.28Å; V425-L524 HydrophobicContact CG1-CD1 4.08Å; V425-L524 HydrophobicContact CG1-CD2 4.26Å; V425-L524 HydrophobicContact CG1-CG 4.44Å; L429-L524 HydrophobicContact CD1-CD1 4.12Å; L429-L524 HydrophobicContact CD2-CD1 4.17Å; L429-L524 HydrophobicContact CG-CD1 4.49Å; T461-L524 HydrophobicContact CG2-CB 3.87Å; T461-L524 HydrophobicContact CG2-CD1 3.96Å; W520-L524 WeakPolarHBondContact O-CG 3.41Å; W520-L524 PolarHBondContact O-N 3.47Å; C521-L524 PolarHBondContact O-N 2.98Å; L524-G527 PolarHBondContact O-N 3.48Å; L524-D528 PolarHBondContact O-N 3.46Å
525G90.9Very high87.5Confident0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-62.3-49.5171.800000112.6F468 C521 L522 F523 G527 D528F468-G525 WeakPolarHBondContact CB-O 3.21Å; F468-G525 VanDerWaalsContact CD2-CA 3.49Å; F468-G525 VanDerWaalsContact CD2-O 3.28Å; F468-G525 WeakPolarHBondContact CD2-O 3.36Å; F468-G525 WeakPolarHBondContact CG-O 3.36Å; C521-G525 PolarHBondContact O-N 3.35Å; L522-G525 PolarHBondContact O-N 3.29Å; F523-G525 VanDerWaalsContact C-N 3.33Å; F523-G525 PolarHBondContact O-N 3.32Å; G525-G527 PolarHBondContact O-N 3.36Å; G525-D528 WeakPolarHBondContact O-CB 3.39Å; G525-D528 PolarHBondContact O-N 3.04Å
526F91.7Very high86.9Confident91 Ų9155.6 Ų55.640%0.39926%0.261SS..Hα-helixtrans-62.7-30176.8-172.3-101.8000112.3F468 L522 F523 D528 L529 L530F468-F526 HydrophobicContact CE1-CD2 4.22Å; F468-F526 HydrophobicContact CZ-CB 4.43Å; L522-F526 WeakPolarHBondContact O-CB 3.23Å; L522-F526 PolarHBondContact O-N 3.41Å; F523-F526 PolarHBondContact O-N 3.23Å; F526-D528 VanDerWaalsContact C-N 3.26Å; F526-D528 PolarHBondContact O-N 3.3Å; F526-L529 HydrophobicContact CD2-CD2 3.95Å; F526-L529 HydrophobicContact CE2-CD2 3.71Å; F526-L529 VanDerWaalsContact O-CB 3.26Å; F526-L529 WeakPolarHBondContact O-CB 3.41Å; F526-L529 PolarHBondContact O-N 3.02Å; F526-L529 VanDerWaalsContact O-N 3.12Å; F526-L530 HydrophobicContact CD1-CD1 3.86Å; F526-L530 HydrophobicContact CD1-CG 4.02Å; F526-L530 HydrophobicContact CE1-CD1 3.66Å; F526-L530 HydrophobicContact CE1-CD2 3.97Å; F526-L530 HydrophobicContact CE1-CG 3.71Å; F526-L530 HydrophobicContact CZ-CD2 4.29Å; F526-L530 HydrophobicContact CZ-CG 4.37Å; F526-L530 PolarHBondContact O-N 3.42Å; F526-L530 VanDerWaalsContact O-N 3.07Å
527G92.1Very high85.9Confident16 Ų1653.7 Ų53.717%0.16526%0.258CS..Hα-helixtrans-59.3-33.4171.500000113.5Y421 F523 L524 G525 L529 L530 W531Y421-G527 VanDerWaalsContact OH-C 3.31Å; Y421-G527 VanDerWaalsContact OH-CA 3.31Å; Y421-G527 WeakPolarHBondContact OH-CA 3.22Å; F523-G527 PolarHBondContact O-N 3.23Å; L524-G527 PolarHBondContact O-N 3.48Å; G525-G527 PolarHBondContact O-N 3.36Å; G527-L529 VanDerWaalsContact C-N 3.34Å; G527-L530 PolarHBondContact O-N 3.22Å; G527-W531 VanDerWaalsContact O-CB 3.27Å; G527-W531 WeakPolarHBondContact O-CB 3.15Å; G527-W531 PolarHBondContact O-N 2.94Å
528D89.6Confident84.8Confident0 Ų059.7 Ų59.70%028%0.284CS..Hα-helixtrans-67.2-38.1174.5-158.928.7000111Y421 Q422 N469 N472 L524 G525 F526 W531 G532Y421-D528 HydrophobicContact CD1-CB 3.83Å; Y421-D528 WeakPolarHBondContact CD1-OD1 3.4Å; Y421-D528 VanDerWaalsContact CE1-CA 3.5Å; Y421-D528 HydrophobicContact CE1-CB 3.57Å; Y421-D528 PolarHBondContact OH-N 2.97Å; Q422-D528 PolarHBondContact NE2-OD2 3.25Å; N469-D528 WeakPolarHBondContact CB-OD2 3.08Å; N472-D528 PolarHBondContact ND2-O 3.4Å; L524-D528 PolarHBondContact O-N 3.46Å; G525-D528 WeakPolarHBondContact O-CB 3.39Å; G525-D528 PolarHBondContact O-N 3.04Å; F526-D528 VanDerWaalsContact C-N 3.26Å; F526-D528 PolarHBondContact O-N 3.3Å; D528-W531 PolarHBondContact O-N 3.23Å; D528-G532 PolarHBondContact O-N 3.43Å
529L88.3Confident83.8Confident5 Ų558.5 Ų58.53%0.02628%0.284CS..Hα-helixtrans-58-54.1173.7-168.970.7000110.9F468 I471 N472 F483 F526 G527 W531 G532 Q533F468-L529 HydrophobicContact CB-CB 4.25Å; F468-L529 HydrophobicContact CD1-CB 4.27Å; F468-L529 HydrophobicContact CD1-CD2 4.25Å; I471-L529 HydrophobicContact CB-CD1 3.97Å; I471-L529 HydrophobicContact CG2-CD1 3.71Å; N472-L529 VanDerWaalsContact ND2-CA 3.34Å; N472-L529 WeakPolarHBondContact ND2-CA 3.49Å; N472-L529 PolarHBondContact ND2-O 3.03Å; N472-L529 WeakPolarHBondContact OD1-CD1 3.43Å; N472-L529 PolarHBondContact OD1-O 3.24Å; F483-L529 HydrophobicContact CE1-CD2 4.2Å; F483-L529 HydrophobicContact CZ-CD2 3.76Å; F526-L529 HydrophobicContact CD2-CD2 3.95Å; F526-L529 HydrophobicContact CE2-CD2 3.71Å; F526-L529 VanDerWaalsContact O-CB 3.26Å; F526-L529 WeakPolarHBondContact O-CB 3.41Å; F526-L529 PolarHBondContact O-N 3.02Å; F526-L529 VanDerWaalsContact O-N 3.12Å; G527-L529 VanDerWaalsContact C-N 3.34Å; L529-W531 PolarHBondContact O-N 3.2Å; L529-G532 PolarHBondContact O-N 3.33Å; L529-Q533 WeakPolarHBondContact O-CG 3.34Å; L529-Q533 PolarHBondContact O-N 2.93Å; L529-Q533 VanDerWaalsContact O-N 3.15Å
530L88Confident82.4Confident88 Ų8859 Ų5946%0.46128%0.283SS..Hα-helixtrans-61.6-42179.3-69.8177.7000112.4F526 G527 G532 Q533 L534F526-L530 HydrophobicContact CD1-CD1 3.86Å; F526-L530 HydrophobicContact CD1-CG 4.02Å; F526-L530 HydrophobicContact CE1-CD1 3.66Å; F526-L530 HydrophobicContact CE1-CD2 3.97Å; F526-L530 HydrophobicContact CE1-CG 3.71Å; F526-L530 HydrophobicContact CZ-CD2 4.29Å; F526-L530 HydrophobicContact CZ-CG 4.37Å; F526-L530 PolarHBondContact O-N 3.42Å; F526-L530 VanDerWaalsContact O-N 3.07Å; G527-L530 PolarHBondContact O-N 3.22Å; L530-G532 VanDerWaalsContact C-N 3.35Å; L530-G532 PolarHBondContact O-N 2.68Å; L530-Q533 PolarHBondContact O-N 3.48Å; L530-L534 WeakPolarHBondContact O-CG 3.33Å; L530-L534 PolarHBondContact O-N 2.87Å
531W86.9Confident81.2Confident109 Ų10960 Ų6041%0.41329%0.29SS..Hα-helixtrans-62.6-42178.8-176.1-106.1000112G417 Y421 G527 D528 L529 L534 R535G417-W531 PolarHBondContact O-NE1 3.5Å; Y421-W531 HydrophobicContact CD2-CB 4.08Å; Y421-W531 HydrophobicContact CD2-CD2 4.22Å; Y421-W531 AromaticContact CD2-CG 3.93Å; Y421-W531 HydrophobicContact CD2-CG 3.93Å; Y421-W531 HydrophobicContact CE2-CB 4.45Å; Y421-W531 HydrophobicContact CG-CB 4.35Å; Y421-W531 HydrophobicContact CG-CG 4.15Å; G527-W531 VanDerWaalsContact O-CB 3.27Å; G527-W531 WeakPolarHBondContact O-CB 3.15Å; G527-W531 PolarHBondContact O-N 2.94Å; D528-W531 PolarHBondContact O-N 3.23Å; L529-W531 PolarHBondContact O-N 3.2Å; W531-L534 PolarHBondContact O-N 3.42Å; W531-R535 WeakPolarHBondContact O-CG 3.41Å; W531-R535 PolarHBondContact O-N 3.34Å
532G82.5Confident79.9Confident4 Ų464.6 Ų64.64%0.04131%0.314CS..Hα-helixtrans-58.5-49.7173.200000112.4D528 L529 L530 L534 R535 V536D528-G532 PolarHBondContact O-N 3.43Å; L529-G532 PolarHBondContact O-N 3.33Å; L530-G532 VanDerWaalsContact C-N 3.35Å; L530-G532 PolarHBondContact O-N 2.68Å; G532-L534 PolarHBondContact O-N 3.12Å; G532-R535 PolarHBondContact O-N 2.97Å; G532-V536 WeakPolarHBondContact O-CG2 3.08Å; G532-V536 PolarHBondContact O-N 3.44Å; G532-V536 VanDerWaalsContact O-N 3.1Å
533Q81.7Confident78.5Confident32 Ų3264.6 Ų64.615%0.1532%0.315CS..Hα-helixtrans-59.8-45.4178.3-65.4-48.1-48.200112.8N472 G480 V482 L529 L530 R535 V536 V537N472-Q533 PolarHBondContact OD1-NE2 3.24Å; G480-Q533 PolarHBondContact O-OE1 3.39Å; V482-Q533 VanDerWaalsContact CB-NE2 3.31Å; L529-Q533 WeakPolarHBondContact O-CG 3.34Å; L529-Q533 PolarHBondContact O-N 2.93Å; L529-Q533 VanDerWaalsContact O-N 3.15Å; L530-Q533 PolarHBondContact O-N 3.48Å; Q533-R535 VanDerWaalsContact C-N 3.27Å; Q533-R535 PolarHBondContact O-N 2.89Å; Q533-V536 PolarHBondContact O-N 2.97Å; Q533-V537 WeakPolarHBondContact O-CG2 3.31Å; Q533-V537 PolarHBondContact O-N 3.48Å
534L78.8Confident76.9Confident100 Ų10063.2 Ų63.252%0.52431%0.312SS..Hα-helixtrans-59.8-37.5180-76.1169.8000112.4L530 W531 G532 K538L530-L534 WeakPolarHBondContact O-CG 3.33Å; L530-L534 PolarHBondContact O-N 2.87Å; W531-L534 PolarHBondContact O-N 3.42Å; G532-L534 PolarHBondContact O-N 3.12Å; L534-K538 WeakPolarHBondContact O-CB 3.47Å; L534-K538 WeakPolarHBondContact O-CG 3.3Å; L534-K538 PolarHBondContact O-N 3.41Å; L534-K538 VanDerWaalsContact O-N 3.09Å
535R76.9Confident75.3Confident44 Ų4465.2 Ų65.217%0.16632%0.322CS..Hα-helixtrans-73.8-36.9178.2-69-169.6-58.4118.21.6112.2K413 N414 N418 W531 G532 Q533 K538 A539K413-R535 PolarHBondContact O-NH1 2.82Å; N414-R535 PolarHBondContact O-NH1 3.46Å; N414-R535 PolarHBondContact O-NH2 2.86Å; N418-R535 PolarHBondContact OD1-NH2 3.32Å; W531-R535 WeakPolarHBondContact O-CG 3.41Å; W531-R535 PolarHBondContact O-N 3.34Å; G532-R535 PolarHBondContact O-N 2.97Å; Q533-R535 VanDerWaalsContact C-N 3.27Å; Q533-R535 PolarHBondContact O-N 2.89Å; R535-K538 PolarHBondContact O-N 3.25Å; R535-A539 VanDerWaalsContact O-CB 3.24Å; R535-A539 WeakPolarHBondContact O-CB 3.32Å; R535-A539 PolarHBondContact O-N 3.13Å
536V70.6Confident73.8Confident15 Ų1570.3 Ų70.39%0.09135%0.349CS..Hα-helixtrans-61.7-47.6173.8169.90000110.7G532 Q533 K538 A539 F540G532-V536 WeakPolarHBondContact O-CG2 3.08Å; G532-V536 PolarHBondContact O-N 3.44Å; G532-V536 VanDerWaalsContact O-N 3.1Å; Q533-V536 PolarHBondContact O-N 2.97Å; V536-K538 PolarHBondContact O-N 3.39Å; V536-A539 PolarHBondContact O-N 3.06Å; V536-F540 WeakPolarHBondContact O-CB 3.07Å; V536-F540 PolarHBondContact O-N 3.11Å
537V67.7Low72.1Confident90 Ų9072.5 Ų72.555%0.54536%0.363SS..Hα-helixtrans-62.6-43.9179.11740000111.7Q533 F540 K541Q533-V537 WeakPolarHBondContact O-CG2 3.31Å; Q533-V537 PolarHBondContact O-N 3.48Å; V537-F540 PolarHBondContact O-N 3.48Å; V537-K541 PolarHBondContact O-N 3.37Å
538K64.8Low70.4Confident142 Ų14276 Ų7662%0.61738%0.378SS*.Hα-helixtrans-65.9-40.5176.2-77.4178.9-179.3175.50112.5L534 R535 V536 F540 K541 N542L534-K538 WeakPolarHBondContact O-CB 3.47Å; L534-K538 WeakPolarHBondContact O-CG 3.3Å; L534-K538 PolarHBondContact O-N 3.41Å; L534-K538 VanDerWaalsContact O-N 3.09Å; R535-K538 PolarHBondContact O-N 3.25Å; V536-K538 PolarHBondContact O-N 3.39Å; K538-F540 VanDerWaalsContact C-N 3.32Å; K538-F540 PolarHBondContact O-N 2.99Å; K538-K541 PolarHBondContact O-N 3.46Å; K538-N542 VanDerWaalsContact O-CG 3.32Å; K538-N542 PolarHBondContact O-N 3.13Å; K538-N542 PolarHBondContact O-OD1 3.21Å
539A65Low68.8Low26 Ų2680.9 Ų80.922%0.21540%0.404CS..Hα-helixtrans-65.2-38.4177.800000111.8R535 V536 N543R535-A539 VanDerWaalsContact O-CB 3.24Å; R535-A539 WeakPolarHBondContact O-CB 3.32Å; R535-A539 PolarHBondContact O-N 3.13Å; V536-A539 PolarHBondContact O-N 3.06Å; A539-N543 PolarHBondContact O-N 2.95Å; A539-N543 VanDerWaalsContact O-N 3.13Å; A539-N543 PolarHBondContact O-ND2 3.41Å
540F61.3Low67Low119 Ų11987.5 Ų87.552%0.52243%0.434SS..Hα-helixtrans-62.8-46.6174.3-174.2-95.2000111.4V536 V537 K538 N542 N543 M544V536-F540 WeakPolarHBondContact O-CB 3.07Å; V536-F540 PolarHBondContact O-N 3.11Å; V537-F540 PolarHBondContact O-N 3.48Å; K538-F540 VanDerWaalsContact C-N 3.32Å; K538-F540 PolarHBondContact O-N 2.99Å; F540-N542 PolarHBondContact O-N 3.21Å; F540-N543 PolarHBondContact O-N 3.23Å; F540-M544 HydrophobicContact CD1-SD 4.42Å; F540-M544 HydrophobicContact CE1-CE 4.26Å; F540-M544 HydrophobicContact CE1-SD 3.68Å; F540-M544 HydrophobicContact CZ-CE 4.38Å; F540-M544 HydrophobicContact CZ-SD 4.27Å; F540-M544 PolarHBondContact O-N 3.39Å
541K63.8Low65.1Low135 Ų13592.7 Ų92.759%0.58745%0.448SS*.Hα-helixtrans-58.8-49.1177.4-171.2175.2179.5179.30112.2V537 K538 N543 M544 D545V537-K541 PolarHBondContact O-N 3.37Å; K538-K541 PolarHBondContact O-N 3.46Å; K541-N543 VanDerWaalsContact C-N 3.31Å; K541-N543 PolarHBondContact O-N 3.21Å; K541-M544 WeakPolarHBondContact O-CA 3.25Å; K541-M544 WeakPolarHBondContact O-CB 3.12Å; K541-M544 PolarHBondContact O-N 2.89Å; K541-D545 VanDerWaalsContact O-CG 3.29Å; K541-D545 PolarHBondContact O-N 3.13Å
542N61.9Low63.3Low96 Ų9690.8 Ų90.851%0.51345%0.451SS..Hα-helixtrans-61.6-37.7179.5-687000112.8K538 F540 M544 D545 D546K538-N542 VanDerWaalsContact O-CG 3.32Å; K538-N542 PolarHBondContact O-N 3.13Å; K538-N542 PolarHBondContact O-OD1 3.21Å; F540-N542 PolarHBondContact O-N 3.21Å; N542-M544 VanDerWaalsContact C-N 3.3Å; N542-D545 PolarHBondContact O-N 3Å; N542-D546 PolarHBondContact O-N 2.93Å
543N60.8Low61.5Low80 Ų8096.7 Ų96.743%0.42848%0.479SS..Hα-helixtrans-68.8-30.7176.1-74.1-16.6000112.1A539 F540 K541 M547A539-N543 PolarHBondContact O-N 2.95Å; A539-N543 VanDerWaalsContact O-N 3.13Å; A539-N543 PolarHBondContact O-ND2 3.41Å; F540-N543 PolarHBondContact O-N 3.23Å; K541-N543 VanDerWaalsContact C-N 3.31Å; K541-N543 PolarHBondContact O-N 3.21Å; N543-M547 WeakPolarHBondContact O-CG 3.48Å; N543-M547 PolarHBondContact O-N 3.49Å
544M59.1Low59.9Low104 Ų104100.3 Ų100.351%0.51250%0.503SS..Hα-helixtrans-69.9-43.4175.2-131.7169.8-173.900110.6F540 K541 N542 D546 M547 D548F540-M544 HydrophobicContact CD1-SD 4.42Å; F540-M544 HydrophobicContact CE1-CE 4.26Å; F540-M544 HydrophobicContact CE1-SD 3.68Å; F540-M544 HydrophobicContact CZ-CE 4.38Å; F540-M544 HydrophobicContact CZ-SD 4.27Å; F540-M544 PolarHBondContact O-N 3.39Å; K541-M544 WeakPolarHBondContact O-CA 3.25Å; K541-M544 WeakPolarHBondContact O-CB 3.12Å; K541-M544 PolarHBondContact O-N 2.89Å; N542-M544 VanDerWaalsContact C-N 3.3Å; M544-D546 PolarHBondContact O-N 3.49Å; M544-M547 PolarHBondContact O-N 2.9Å; M544-M547 VanDerWaalsContact O-N 3.14Å; M544-D548 PolarHBondContact O-N 3.26Å
545D59.8Low58.1Low74 Ų7499.3 Ų99.340%0.39651%0.505SS..Hα-helixtrans-60.2-44.9175.8-60.7-30.8000111K541 N542 M547 D548 D549K541-D545 VanDerWaalsContact O-CG 3.29Å; K541-D545 PolarHBondContact O-N 3.13Å; N542-D545 PolarHBondContact O-N 3Å; D545-M547 VanDerWaalsContact C-N 3.3Å; D545-M547 PolarHBondContact O-N 3.48Å; D545-D548 PolarHBondContact O-N 3.39Å; D545-D549 PolarHBondContact O-N 3.42Å
546D59.3Low56.4Low106 Ų10699.2 Ų99.257%0.56752%0.517SS*.Hα-helixtrans-60.5-36.7174.8-83.1-16.7000112.5N542 M544 Q550N542-D546 PolarHBondContact O-N 2.93Å; M544-D546 PolarHBondContact O-N 3.49Å; D546-Q550 VanDerWaalsContact O-CG 3.22Å; D546-Q550 WeakPolarHBondContact O-CG 3.26Å; D546-Q550 PolarHBondContact O-N 2.97Å; D546-Q550 VanDerWaalsContact O-N 3.15Å
547M54.7Low54.9Low137 Ų137105.7 Ų105.768%0.67555%0.547SS*.Hα-helixtrans-73.1-37.9178.5-78.1-168.568.100112.5N543 M544 D545 Q550 R551N543-M547 WeakPolarHBondContact O-CG 3.48Å; N543-M547 PolarHBondContact O-N 3.49Å; M544-M547 PolarHBondContact O-N 2.9Å; M544-M547 VanDerWaalsContact O-N 3.14Å; D545-M547 VanDerWaalsContact C-N 3.3Å; D545-M547 PolarHBondContact O-N 3.48Å; M547-Q550 PolarHBondContact O-N 3.34Å; M547-R551 WeakPolarHBondContact O-CB 3.31Å; M547-R551 PolarHBondContact O-N 3.09Å
548D58Low53.3Low90 Ų90104.7 Ų104.748%0.48154%0.544SS..Hα-helixtrans-70.2-35.7177.3-76.1-25.4000111.4M544 D545 R551 S552M544-D548 PolarHBondContact O-N 3.26Å; D545-D548 PolarHBondContact O-N 3.39Å; D548-R551 PolarHBondContact O-N 3.04Å; D548-S552 WeakPolarHBondContact O-CB 3.44Å; D548-S552 PolarHBondContact O-N 3.45Å; D548-S552 PolarHBondContact O-OG 3.05Å
549D55.7Low52Low102 Ų102102.8 Ų102.855%0.54555%0.547SS..Hα-helixtrans-62.6-44.9171.1-79.9-14.2000111.6D545 R551 S552 M553D545-D549 PolarHBondContact O-N 3.42Å; D549-R551 VanDerWaalsContact C-N 3.32Å; D549-R551 PolarHBondContact O-N 2.95Å; D549-S552 PolarHBondContact O-N 3.34Å; D549-S552 PolarHBondContact O-OG 3.47Å; D549-M553 WeakPolarHBondContact O-CG 3.35Å; D549-M553 PolarHBondContact O-N 3.02Å; D549-M553 VanDerWaalsContact O-N 3.12Å
550Q49.7Very low50.7Low144 Ų144108.9 Ų108.967%0.67358%0.575SS**Hα-helixtrans-61-40.1173.7-71.2-108.6-57.700112D546 M547 V554D546-Q550 VanDerWaalsContact O-CG 3.22Å; D546-Q550 WeakPolarHBondContact O-CG 3.26Å; D546-Q550 PolarHBondContact O-N 2.97Å; D546-Q550 VanDerWaalsContact O-N 3.15Å; M547-Q550 PolarHBondContact O-N 3.34Å; Q550-V554 WeakPolarHBondContact O-CG2 3.17Å; Q550-V554 PolarHBondContact O-N 3.06Å
551R47.6Very low49.7Very low198 Ų198106.9 Ų106.975%0.74758%0.576SS**Hα-helixtrans-70-36.5179.9-132.7174.5-170.81761.6112.2M547 D548 D549 S555M547-R551 WeakPolarHBondContact O-CB 3.31Å; M547-R551 PolarHBondContact O-N 3.09Å; D548-R551 PolarHBondContact O-N 3.04Å; D549-R551 VanDerWaalsContact C-N 3.32Å; D549-R551 PolarHBondContact O-N 2.95Å; R551-S555 PolarHBondContact O-N 3.44Å
552S50Low48.3Very low69 Ų69107.6 Ų107.648%0.48359%0.585SS.*Hα-helixtrans-70.5-37.6178.972.90000112.7D548 D549 V554 S555 G556D548-S552 WeakPolarHBondContact O-CB 3.44Å; D548-S552 PolarHBondContact O-N 3.45Å; D548-S552 PolarHBondContact O-OG 3.05Å; D549-S552 PolarHBondContact O-N 3.34Å; D549-S552 PolarHBondContact O-OG 3.47Å; S552-V554 PolarHBondContact O-N 3.47Å; S552-S555 PolarHBondContact O-N 3.41Å; S552-G556 PolarHBondContact O-N 2.95Å; S552-G556 VanDerWaalsContact O-N 3.11Å
553M45.4Very low47Very low127 Ų127114.9 Ų114.963%0.62661%0.606SS**Hα-helixtrans-64.7-38.4175.7-73.6-179.782.500113D549 G556 Q557D549-M553 WeakPolarHBondContact O-CG 3.35Å; D549-M553 PolarHBondContact O-N 3.02Å; D549-M553 VanDerWaalsContact O-N 3.12Å; M553-G556 PolarHBondContact O-N 3.06Å; M553-Q557 PolarHBondContact O-N 3.11Å
554V47.1Very low46.1Very low108 Ų108116 Ų11666%0.65562%0.62SS**Hα-helixtrans-71.7-31.4178.9176.80000111.7Q550 S552Q550-V554 WeakPolarHBondContact O-CG2 3.17Å; Q550-V554 PolarHBondContact O-N 3.06Å; S552-V554 PolarHBondContact O-N 3.47Å
555S41.7Very low45.1Very low79 Ų79118.8 Ų118.855%0.55264%0.636SS**Hα-helixtrans-69.5-43.3173.9-176.40000112.1R551 S552 Q557 S558R551-S555 PolarHBondContact O-N 3.44Å; S552-S555 PolarHBondContact O-N 3.41Å; S555-Q557 PolarHBondContact O-N 3.2Å; S555-S558 PolarHBondContact O-N 3.37Å; S555-S558 PolarHBondContact O-OG 3.44Å
556G40.1Very low43.6Very low42 Ų42126.5 Ų126.543%0.43366%0.66SS.*Hα-helixtrans-66.3-28-177.200000115.6S552 M553S552-G556 PolarHBondContact O-N 2.95Å; S552-G556 VanDerWaalsContact O-N 3.11Å; M553-G556 PolarHBondContact O-N 3.06Å
557Q39.2Very low42.6Very low151 Ų151128.3 Ų128.371%0.70668%0.675SS**Hα-helixtrans-76.9-19.4-179.3-75.3-177.7-17.600114M553 S555M553-Q557 PolarHBondContact O-N 3.11Å; S555-Q557 PolarHBondContact O-N 3.2Å
558S34.5Very low41.5Very low70 Ų70125.6 Ų125.649%0.4968%0.682SS.*Hα-helixtrans-82.4-18.4-178.260.80000114.3S555S555-S558 PolarHBondContact O-N 3.37Å; S555-S558 PolarHBondContact O-OG 3.44Å
559C36.7Very low40.3Very low102 Ų102126.7 Ų126.769%0.68970%0.696SS**Hα-helixtrans-89.6-18.5-179.8-71.90000114.5
560L37.7Very low39.1Very low154 Ų154129.1 Ų129.181%0.80671%0.709SS**SBendtrans-87.2-14.5-175.8-85.7154.6000114.3
561S40.4Very low38.2Very low77 Ų77131 Ų13154%0.53872%0.717SS.*SBendtrans-90.7-11.9-178.765.40000114.9
562L35.9Very low37.3Very low149 Ų149127.2 Ų127.278%0.7872%0.718SS**THydrogen-bonded Turntrans-86.8-4.6-172.6-87.5160.2000115.6
563R34.1Very low36.4Very low249 Ų249131.5 Ų131.594%0.9474%0.735SS**THydrogen-bonded Turntrans-93.5-2179.3-93-177.1177.3-179.8-0.2115.5
564S42.3Very low35.6Very low103 Ų103130.4 Ų130.472%0.7274%0.74SS**SBendtrans-103.2-13.6-166.7-170.30000116.3
565L36.3Very low34.7Very low164 Ų164132.5 Ų132.586%0.85975%0.747SS**  trans-115.144.2-163.8-81154.6000114.9
566R30.2Very low33.9Very low235 Ų235136.3 Ų136.389%0.88776%0.76SS**  trans-111.750.6-177.2-149.5-175.7-157.5-175.66.2113.7
567T37.4Very low33.3Very low145 Ų145146.4 Ų146.489%0.8979%0.786SS**  trans-169.9126.1164.1430000111.1
568G32.3Very low32.5Very low79 Ų79148.6 Ų148.681%0.81479%0.789SS**  trans119.190.2154.300000119.3
569S32.5Very low32.2Very low113 Ų113151 Ų15179%0.7981%0.805SS**  trans45.4113.2135.8-159.70000123.8
570L29.3Very low31.6Very low154 Ų154156.3 Ų156.381%0.80681%0.812SS**  trans28.5117.3140.7-79.788.4000122
571H31.2Very low31.5Very low183 Ų183153.8 Ų153.885%0.84781%0.805SS**  trans-150.1134.2132.2-104.3-82.9000109.3
572P29.3Very low31Very low118 Ų118161.3 Ų161.377%0.76682%0.823SS**  trans-94111176.733.6-24.6000109.5
573L30.3Very low30.4Very low160 Ų160160.3 Ų160.384%0.83882%0.819SS**  trans-125.4106.4164.7-86.5163.9000108.3D575L573-D575 PolarHBondContact O-N 3.01Å; L573-D575 VanDerWaalsContact O-N 3.17Å
574S29Very low30.2Very low104 Ų104154 Ų15473%0.72781%0.808SS**  trans-49.6106.7158.647.20000109.6
575D27.4Very low29.3Very low151 Ų151153.8 Ų153.881%0.80781%0.807SS**  trans160.483.1147.3-85.2-20.5000109L573L573-D575 PolarHBondContact O-N 3.01Å; L573-D575 VanDerWaalsContact O-N 3.17Å
576L26.8Very low28.8Very low159 Ų159150 Ų15083%0.83279%0.794SS**  trans-173.899160.1-101.4149.2000108.9
577R26.1Very low28.6Very low255 Ų255146.9 Ų146.996%0.96279%0.794SS**  trans-127.489.2155.8-88-163.3-83-153.9-3.5109.7
578Y23.6Very low28.1Very low197 Ų197145 Ų14577%0.77379%0.786SS**  trans-77.6127.5140.5-96.2-91.6000107.9
579S27.2Very low27.7Very low120 Ų120151.8 Ų151.884%0.83979%0.787SS**  trans-176.2115.3146.1-88.10000111.6
580Y24.2Very low27.4Very low214 Ų214153.6 Ų153.684%0.83979%0.788SS**  trans-58.2-174.3148.6-68.4-90.4000110.4
581P35.6Very low27.2Very low101 Ų101151.4 Ų151.466%0.65679%0.786SS**  cis-126.5173.3-27.830.5-12000111.2
582Y29.2Very low27Very low234 Ų234151.1 Ų151.192%0.91878%0.782SS**  trans-143114.4154.2-87.7-72.8000113.9
583D23.9Very low26.9Very low128 Ų128151.8 Ų151.868%0.68479%0.79SS**  trans-54.3134.4154.4-153.9-19.2000110.5S585D583-S585 PolarHBondContact OD1-OG 2.95Å; D583-S585 VanDerWaalsContact OD1-OG 3.1Å
584V30.3Very low26.8Very low117 Ų117147.5 Ų147.571%0.70977%0.773SS**  trans-139.962.1165.4-1600000110S586V584-S586 WeakPolarHBondContact CG1-O 3.37Å; V584-S586 PolarHBondContact O-N 3.14Å
585S23.3Very low26.7Very low99 Ų99150 Ų15069%0.69278%0.778SS**  trans-82.652.6155.551.20000110.5D583D583-S585 PolarHBondContact OD1-OG 2.95Å; D583-S585 VanDerWaalsContact OD1-OG 3.1Å
586S25.1Very low26.8Very low84 Ų84154.9 Ų154.959%0.58779%0.785SS**  trans-178.6108.7163.8470000109V584V584-S586 WeakPolarHBondContact CG1-O 3.37Å; V584-S586 PolarHBondContact O-N 3.14Å
587L27.2Very low26.9Very low169 Ų169155.2 Ų155.289%0.88578%0.782SS**  -168.3105.5128.3-122.282.2000109.1
588S26.7Very low27Very low105 Ų105146.8 Ų146.873%0.73477%0.767SS**  trans-45.5148.4162.7166.20000112.5
589R24.4Very low27.2Very low223 Ų223149.2 Ų149.284%0.84277%0.774SS**SBendtrans-32.3145.1155.1-65.1169.8-178176.4-0.9111.9
590N24.5Very low27.3Very low150 Ų150149 Ų14980%0.80277%0.768SS**  trans95.488.3167.4-49.2-19.2000115.3
591S25.4Very low27.5Very low108 Ų108146.9 Ų146.976%0.75576%0.764SS**  trans-175.6151.9141-820000109.7
592F28.2Very low27.2Very low178 Ų178146.6 Ų146.678%0.78177%0.77SS**  trans96.352.5178.5-61.9-81.1000117.3S594F592-S594 WeakPolarHBondContact CD1-OG 3.47Å; F592-S594 PolarHBondContact O-N 2.83Å
593S26.9Very low27.1Very low132 Ų132142.9 Ų142.992%0.92377%0.766SS**  trans-59.861.7141.652.10000113.1
594S27.1Very low27.3Very low70 Ų70139.8 Ų139.849%0.4975%0.754SS.*  trans-148.652.9-179.568.40000113.3F592F592-S594 WeakPolarHBondContact CD1-OG 3.47Å; F592-S594 PolarHBondContact O-N 2.83Å
595L28Very low27.1Very low157 Ų157143.9 Ų143.982%0.82276%0.762SS**  trans-140.349.1168.3-79.1175.7000111.2
596R28.3Very low27.2Very low252 Ų252147.6 Ų147.695%0.95177%0.766SS**SBendtrans-83.79.4165.6-146.8179.3-169-171.62.6112.4
597E29.8Very low27.2Very low167 Ų167150 Ų15078%0.7877%0.772SS**  trans-110.55.2-174.2-73.7-179.1159.600115R599 T600E597-R599 VanDerWaalsContact C-N 3.27Å; E597-R599 PolarHBondContact O-N 3.17Å; E597-T600 PolarHBondContact O-OG1 3.43Å
598A28.9Very low27.2Very low77 Ų77150 Ų15064%0.63677%0.772SS**THydrogen-bonded Turntrans-83.314.4-177.200000115.3
599R28Very low27.3Very low248 Ų248148.6 Ų148.694%0.93676%0.762SS**THydrogen-bonded Turntrans-94.77.8-175.9-125.9177.6-168.5179.52.5114.8E597E597-R599 VanDerWaalsContact C-N 3.27Å; E597-R599 PolarHBondContact O-N 3.17Å
600T28.6Very low27.5Very low116 Ų116143.7 Ų143.771%0.71275%0.753SS**  trans-125.610.9-173.134.90000114.7E597 A602E597-T600 PolarHBondContact O-OG1 3.43Å; T600-A602 PolarHBondContact O-N 2.95Å; T600-A602 VanDerWaalsContact O-N 3.13Å
601F28.3Very low27.8Very low170 Ų170142.5 Ų142.575%0.74675%0.745SS**THydrogen-bonded Turntrans-85.932.6-177-112.3-88.7000114.8S604F601-S604 VanDerWaalsContact CD1-OG 3.23Å; F601-S604 WeakPolarHBondContact CD1-OG 3.36Å; F601-S604 WeakPolarHBondContact CE1-OG 3.39Å
602A30.1Very low27.9Very low94 Ų94142.2 Ų142.278%0.77774%0.743SS**THydrogen-bonded Turntrans-85.2-5.7177.400000114T600T600-A602 PolarHBondContact O-N 2.95Å; T600-A602 VanDerWaalsContact O-N 3.13Å
603D27.1Very low27.9Very low156 Ų156142.3 Ų142.383%0.83475%0.746SS**SBendtrans-120.26.9-170.1-77.8-34.8000115.9K605D603-K605 PolarHBondContact O-N 3.21Å
604S27.4Very low28Very low63 Ų63139.1 Ų139.144%0.44173%0.728SS.*  trans-92.2104.7179.4590000112F601 F606F601-S604 VanDerWaalsContact CD1-OG 3.23Å; F601-S604 WeakPolarHBondContact CD1-OG 3.36Å; F601-S604 WeakPolarHBondContact CE1-OG 3.39Å; S604-F606 PolarHBondContact O-N 3.35Å
605K25.2Very low28.3Very low204 Ų204140.3 Ų140.389%0.88773%0.728SS**  trans-37.5100.7162.5-74.9174.4174.71770111.6D603 L607D603-K605 PolarHBondContact O-N 3.21Å; K605-L607 PolarHBondContact O-N 2.83Å
606F25.8Very low28.8Very low176 Ų176139.3 Ų139.377%0.77272%0.724SS**  trans-73.7114.7163.8-120.1-93000107.6S604 L608S604-F606 PolarHBondContact O-N 3.35Å; F606-L608 PolarHBondContact O-N 3.09Å
607L25.8Very low29.2Very low134 Ų134128.6 Ų128.670%0.70269%0.692SS**  trans-60.5122.8176.1-83.9152.2000109.3K605 S609K605-L607 PolarHBondContact O-N 2.83Å; L607-S609 PolarHBondContact O-N 2.97Å
608L27.8Very low29.8Very low169 Ų169120.9 Ų120.989%0.88566%0.657SS**THydrogen-bonded Turntrans-61.77.1179.8-93.3138.4000115.1F606F606-L608 PolarHBondContact O-N 3.09Å
609S28.3Very low30.5Very low77 Ų77117.4 Ų117.454%0.53863%0.628SS.*THydrogen-bonded Turntrans-81.8-26.8-178.651.20000113.9L607L607-S609 PolarHBondContact O-N 2.97Å
610D28.2Very low31.2Very low120 Ų120108.3 Ų108.364%0.64260%0.597SS**THydrogen-bonded Turntrans-93.9-2.3-162.7-61.5-3.3000113.7
611I31.2Very low32.1Very low125 Ų125102.9 Ų102.964%0.64156%0.564SS**THydrogen-bonded Turntrans-97.4-4.1-177.9-57.4174.1000111.7E613I611-E613 PolarHBondContact O-N 2.81Å; I611-E613 VanDerWaalsContact O-N 3.16Å
612S27.5Very low32.8Very low101 Ų10195.4 Ų95.471%0.70653%0.534SS*.THydrogen-bonded Turntrans-72.3-3.7-174.2-172.20000115.5
613E28Very low33.5Very low180 Ų18094.2 Ų94.284%0.84151%0.509SS*.THydrogen-bonded Turntrans-110.45.4-172.4-67.3-170157.400115.2I611 D615I611-E613 PolarHBondContact O-N 2.81Å; I611-E613 VanDerWaalsContact O-N 3.16Å; E613-D615 PolarHBondContact O-N 3.49Å
614A28.5Very low34.2Very low66 Ų6689.9 Ų89.955%0.54549%0.491SS..  trans-82.379.7172.800000110.9D616A614-D616 VanDerWaalsContact C-N 3.28Å; A614-D616 PolarHBondContact O-N 3.11Å
615D34.2Very low34.6Very low94 Ų9489 Ų8950%0.50348%0.481SS..THydrogen-bonded Turntrans-69.7-12.5-174.8-91.2-24.6000114.6R270 E613R270-D615 IonicContact NH2-OD2 2.73Å; E613-D615 PolarHBondContact O-N 3.49Å
616D37.4Very low35Very low137 Ų13784.9 Ų84.973%0.73347%0.465SS*.THydrogen-bonded Turntrans-130.939.3-172.6-72-41.8000115.3A614A614-D616 VanDerWaalsContact C-N 3.28Å; A614-D616 PolarHBondContact O-N 3.11Å
617G38Very low35.2Very low27 Ų2783.8 Ų83.828%0.27846%0.462SS..EExtended strand (participates in β ladder)trans-92.5139.2172.900000113.8
618A41.1Very low35.3Very low5 Ų584.9 Ų84.94%0.04146%0.458CS..EExtended strand (participates in β ladder)trans-89.8134.3163.500000109.1L118 V229 I231L118-A618 HydrophobicContact CD1-CB 4.36Å; V229-A618 PolarHBondContact N-O 3.24Å; V229-A618 PolarHBondContact O-N 2.98Å; I231-A618 HydrophobicContact CD1-CB 3.93Å
619V43.7Very low35.4Very low4 Ų482.2 Ų82.22%0.02445%0.45CS..EExtended strand (participates in β ladder)trans-118.9126.5179.3-169.10000109.1T170 F621T170-V619 VanDerWaalsContact O-O 3.1Å; V619-F621 HydrophobicContact CB-CD2 4.37Å; V619-F621 HydrophobicContact CB-CE2 3.58Å; V619-F621 HydrophobicContact CB-CZ 4.24Å; V619-F621 HydrophobicContact CG1-CD2 4.02Å; V619-F621 HydrophobicContact CG1-CE1 4.43Å; V619-F621 HydrophobicContact CG1-CE2 3.18Å; V619-F621 HydrophobicContact CG1-CZ 3.44Å; V619-F621 VanDerWaalsContact CG1-CZ 3.44Å
620L44.1Very low35.2Very low56 Ų5683.2 Ų83.229%0.29346%0.457SS..EExtended strand (participates in β ladder)trans-91.1127.3179.2-75.6149.6000110.1P171 L226 A227 V229P171-L620 HydrophobicContact CB-CD2 4.05Å; L226-L620 HydrophobicContact CB-CB 4.08Å; L226-L620 WeakPolarHBondContact CB-O 3.41Å; L226-L620 HydrophobicContact CD1-CB 4.28Å; L226-L620 PolarHBondContact N-O 3.37Å; A227-L620 PolarHBondContact O-N 2.88Å; A227-L620 VanDerWaalsContact O-N 3.08Å; V229-L620 HydrophobicContact CG2-CD1 3.93Å
621F46.1Very low35.1Very low3 Ų383.9 Ų83.91%0.01347%0.466CS..EExtended strand (participates in β ladder)trans-123.2147.8173-66.1-92.4000111.4F169 T170 C178 A182 F223 T224 C225 V619F169-F621 WeakPolarHBondContact CA-O 3.29Å; T170-F621 PolarHBondContact N-O 2.88Å; T170-F621 PolarHBondContact O-N 3.43Å; C178-F621 HydrophobicContact CB-CD2 4.02Å; C178-F621 HydrophobicContact CB-CE2 3.21Å; C178-F621 HydrophobicContact CB-CZ 3.6Å; A182-F621 HydrophobicContact CB-CD1 4.4Å; A182-F621 HydrophobicContact CB-CE1 3.66Å; A182-F621 HydrophobicContact CB-CZ 4.48Å; F223-F621 HydrophobicContact CB-CB 3.93Å; F223-F621 HydrophobicContact CB-CD1 3.76Å; F223-F621 HydrophobicContact CB-CG 4.15Å; F223-F621 HydrophobicContact CD1-CB 4.15Å; F223-F621 HydrophobicContact CG-CB 4.14Å; T224-F621 WeakPolarHBondContact O-CA 3.46Å; C225-F621 VanDerWaalsContact CA-CD1 3.45Å; C225-F621 HydrophobicContact CB-CD1 3.9Å; C225-F621 HydrophobicContact CB-CE1 3.48Å; C225-F621 VanDerWaalsContact CB-CE1 3.48Å; C225-F621 HydrophobicContact CB-CZ 4.26Å; V619-F621 HydrophobicContact CB-CD2 4.37Å; V619-F621 HydrophobicContact CB-CE2 3.58Å; V619-F621 HydrophobicContact CB-CZ 4.24Å; V619-F621 HydrophobicContact CG1-CD2 4.02Å; V619-F621 HydrophobicContact CG1-CE1 4.43Å; V619-F621 HydrophobicContact CG1-CE2 3.18Å; V619-F621 HydrophobicContact CG1-CZ 3.44Å; V619-F621 VanDerWaalsContact CG1-CZ 3.44Å
622A44.5Very low34.7Very low13 Ų1383.7 Ų83.711%0.10747%0.471CS..EExtended strand (participates in β ladder)trans-138.8157.4171.500000111.2V168 F169 T224 L226V168-A622 WeakPolarHBondContact O-CA 3.37Å; F169-A622 HydrophobicContact CD1-CB 4.13Å; F169-A622 HydrophobicContact CE1-CB 4.06Å; T224-A622 WeakPolarHBondContact CA-O 3.48Å; T224-A622 VanDerWaalsContact CB-O 3.28Å; T224-A622 WeakPolarHBondContact CB-O 3.38Å; T224-A622 PolarHBondContact N-O 3.34Å; T224-A622 PolarHBondContact O-N 3.48Å; L226-A622 HydrophobicContact CD1-CB 3.76Å; L226-A622 HydrophobicContact CD2-CB 4.16Å; L226-A622 HydrophobicContact CG-CB 4.01Å
623R43.2Very low34.6Very low69 Ų6987.4 Ų87.426%0.2648%0.479SS..EExtended strand (participates in β ladder)trans-126.2125.7169.8-172.3174.1178.9-177.9-0.3108.6V168 L218 R221 F223V168-R623 PolarHBondContact O-N 3.24Å; L218-R623 PolarHBondContact O-NH1 3.39Å; R221-R623 PolarHBondContact O-NH1 3.07Å; F223-R623 HydrophobicContact CD1-CB 4.41Å
624S41.5Very low34.4Very low64 Ų6481.8 Ų81.845%0.44847%0.469SS..  trans-135.4145.2-179.9-173.70000111
625N36.1Very low34.2Very low45 Ų4585.8 Ų85.824%0.24149%0.487CS..SBendtrans-87.24.6-170.7-70.3-0.5000115.4F195F195-N625 HydrophobicContact CD2-CB 3.74Å; F195-N625 VanDerWaalsContact CD2-CG 3.5Å; F195-N625 WeakPolarHBondContact CD2-OD1 3.22Å; F195-N625 HydrophobicContact CE2-CB 4.13Å; F195-N625 VanDerWaalsContact CE2-CG 3.47Å; F195-N625 WeakPolarHBondContact CE2-OD1 3.36Å; F195-N625 HydrophobicContact CG-CB 4.24Å; F195-N625 VanDerWaalsContact CZ-OD1 3.26Å; F195-N625 WeakPolarHBondContact CZ-OD1 3.12Å
626H34.1Very low33.8Very low117 Ų11787.4 Ų87.454%0.54250%0.5SS..SBendtrans-152.2149.7179.9-98.5-57.9000116.3Y628H626-Y628 WeakPolarHBondContact O-CD2 3.26Å
627H29.4Very low33.1Very low153 Ų15385.3 Ų85.371%0.70850%0.496SS*.  trans-54.9123.8169.5-106.349.9000112.6
628Y29.4Very low32.6Very low158 Ų15889.5 Ų89.562%0.6252%0.518SS*.  trans-111.2136.7165.8-77.8-88.8000111.2K160 H626K160-Y628 PolarHBondContact NZ-OH 3.43Å; H626-Y628 WeakPolarHBondContact O-CD2 3.26Å
629P28.3Very low32Very low113 Ų11394.8 Ų94.873%0.73455%0.549SS*.  trans-72.2148.2179.628.4-32.1000112.6T631P629-T631 PolarHBondContact O-N 3.07Å
630S24.9Very low31.1Very low98 Ų98105.4 Ų105.469%0.68559%0.589SS**  trans-51.2117-17750.60000114.7
631T25.6Very low30.2Very low134 Ų134110 Ų11082%0.82261%0.614SS**  trans-115.9121.1160.5-47.20000109.3P629 M633P629-T631 PolarHBondContact O-N 3.07Å; T631-M633 PolarHBondContact O-N 2.77Å
632T23.5Very low29.2Very low120 Ų120116.8 Ų116.874%0.73665%0.649SS**  trans-70.9105.8-175.4-49.80000110.6
633M25.2Very low28.5Very low179 Ų179127.6 Ų127.688%0.88269%0.689SS**  trans-103.2127162.8-87.7-171.677.200109.8T631T631-M633 PolarHBondContact O-N 2.77Å
634G24.4Very low27.6Very low62 Ų62128.1 Ų128.164%0.63972%0.715SS**  trans-64.7142.8-175.900000112.8V636G634-V636 PolarHBondContact O-N 2.95Å; G634-V636 VanDerWaalsContact O-N 3.07Å
635V24.3Very low26.8Very low151 Ų151135 Ų13592%0.91574%0.737SS**  trans-63.7104.4170.7179.10000108.3S637V635-S637 PolarHBondContact O-N 3.49Å
636V24.7Very low26.1Very low128 Ų128144.7 Ų144.778%0.77677%0.77SS**  trans-82.5112.1172.8-178.70000107.8G634G634-V636 PolarHBondContact O-N 2.95Å; G634-V636 VanDerWaalsContact O-N 3.07Å
637S23.4Very low25.6Very low92 Ų92143.4 Ų143.464%0.64378%0.78SS**  trans-55147172.3-124.50000111V635 V639V635-S637 PolarHBondContact O-N 3.49Å; S637-V639 PolarHBondContact O-N 3.37Å
638P27.7Very low25.2Very low116 Ų116141.7 Ų141.775%0.75379%0.785SS**  trans-61.1112.8171.325.5-30.7000108.4R640P638-R640 PolarHBondContact O-N 3.21Å
639V27Very low24.9Very low115 Ų115143 Ų14370%0.69779%0.794SS**  trans-67.199.4179.2176.70000108.3S637S637-V639 PolarHBondContact O-N 3.37Å
640R24.7Very low24.6Very low227 Ų227143.6 Ų143.686%0.85779%0.791SS**  trans-63.2135.6160-80.9178172.9170.8-2.1109P638P638-R640 PolarHBondContact O-N 3.21Å
641N25.2Very low24.6Very low152 Ų152145.7 Ų145.781%0.81379%0.792SS**  trans69.897.8161.7-68.1-20.8000118.7
642I26.6Very low24.4Very low146 Ų146149.1 Ų149.175%0.74979%0.79SS**  trans-142.569.3146-49.2177.5000109.7
643Y28.9Very low24.6Very low241 Ų241153.5 Ų153.595%0.94579%0.794SS**  trans-148.685.3149-87.7-71.9000107.8
644G24.1Very low24.6Very low79 Ų79149.8 Ų149.881%0.81479%0.786SS**  trans-83.8112172.100000110.5
645K25.1Very low24.7Very low209 Ų209152.3 Ų152.391%0.90979%0.794SS**  trans-160.4108.8138.6-106.3176.2-173.8-177.90108.6
646R21.6Very low24.9Very low249 Ų249147.7 Ų147.794%0.9478%0.777SS**  trans-63125.2174.5-79.2172167.5164.7-5.8110.1
647A23.3Very low24.9Very low89 Ų89146.7 Ų146.774%0.73676%0.762SS**  trans-134.296.6144.500000106.6F649A647-F649 PolarHBondContact O-N 3.05Å; A647-F649 VanDerWaalsContact O-N 3.1Å
648S21.4Very low25Very low117 Ų117146.8 Ų146.882%0.81876%0.759SS**  trans-66.8103.3169.3-75.40000108.2
649F23.8Very low25Very low186 Ų186145 Ų14582%0.81674%0.742SS**  trans-113.799.3158.1-101.4-88.7000107.6A647 M651A647-F649 PolarHBondContact O-N 3.05Å; A647-F649 VanDerWaalsContact O-N 3.1Å; F649-M651 PolarHBondContact O-N 3.34Å
650D21.3Very low24.8Very low126 Ų126143 Ų14367%0.67475%0.745SS**  trans-74109.3168.9-165.74.6000107.1R652D650-R652 IonicContact OD1-NE 3.04Å; D650-R652 IonicContact OD2-NH2 2.81Å
651M25.5Very low24.9Very low141 Ų141135.8 Ų135.870%0.69574%0.741SS**  trans-141.868.8175.9-119.4179.3174.500111.3F649 Y653F649-M651 PolarHBondContact O-N 3.34Å; M651-Y653 PolarHBondContact O-N 2.93Å; M651-Y653 VanDerWaalsContact O-N 3.1Å
652R21.9Very low24.8Very low206 Ų206137.3 Ų137.378%0.77774%0.743SS**  trans-72.282.1162.4-80.1-178.9-85.1-176.6-6.9110.6D650D650-R652 IonicContact OD1-NE 3.04Å; D650-R652 IonicContact OD2-NH2 2.81Å
653Y26.2Very low24.7Very low212 Ų212139.2 Ų139.283%0.83175%0.751SS**  trans-146.6107166.6-78-75.3000112.9M651M651-Y653 PolarHBondContact O-N 2.93Å; M651-Y653 VanDerWaalsContact O-N 3.1Å
654S25.4Very low24.7Very low102 Ų102131.6 Ų131.671%0.71373%0.733SS**SBendtrans59.997155.3-159.30000117.9G656S654-G656 PolarHBondContact O-N 3.3Å
655S26.8Very low24.8Very low115 Ų115135.3 Ų135.380%0.80473%0.729SS**SBendtrans29.676.6145.459.40000116.4
656G28.7Very low24.8Very low54 Ų54133.7 Ų133.756%0.55773%0.725SS**  trans162.898176.700000111.3S654S654-G656 PolarHBondContact O-N 3.3Å
657F25.6Very low25.1Very low106 Ų106128.8 Ų128.847%0.46572%0.716SS.*  trans-67.6139-176.7-131.2-93000112Q86 E238 I659Q86-F657 PolarHBondContact OE1-O 3.48Å; E238-F657 HydrophobicContact CB-CE1 4.48Å; E238-F657 HydrophobicContact CB-CE2 3.61Å; E238-F657 HydrophobicContact CB-CZ 3.38Å; E238-F657 VanDerWaalsContact CD-CZ 3.43Å; E238-F657 HydrophobicContact CG-CE2 4.19Å; E238-F657 HydrophobicContact CG-CZ 3.99Å; E238-F657 WeakPolarHBondContact OE2-CD2 2.93Å; E238-F657 VanDerWaalsContact OE2-CE1 3.26Å; E238-F657 WeakPolarHBondContact OE2-CE1 3.41Å; E238-F657 WeakPolarHBondContact OE2-CE2 3.43Å; E238-F657 WeakPolarHBondContact OE2-CZ 3.19Å; F657-I659 HydrophobicContact CD1-CG1 4.03Å; F657-I659 HydrophobicContact CE1-CG1 4.32Å
658V25.1Very low25.1Very low95 Ų95132.3 Ų132.358%0.57672%0.721SS**  trans-126.8115.8174.5166.70000107.2T322T322-V658 HydrophobicContact CG2-CB 3.96Å; T322-V658 HydrophobicContact CG2-CG1 3.32Å; T322-V658 HydrophobicContact CG2-CG2 4.37Å
659I26.8Very low25.4Very low79 Ų79132 Ų13241%0.40572%0.716SS.*  trans-97.7107.6176.8-58.6176.9000108.9T322 F657T322-I659 WeakPolarHBondContact CG2-O 3.19Å; F657-I659 HydrophobicContact CD1-CG1 4.03Å; F657-I659 HydrophobicContact CE1-CG1 4.32Å
660G23.3Very low25.5Very low72 Ų72129.1 Ų129.174%0.74271%0.714SS**  trans-104.2135162.400000110.9
661G25.5Very low25.8Very low76 Ų76129.1 Ų129.178%0.78472%0.72SS**  trans170123.117300000112.8
662Q23.3Very low26.3Very low183 Ų183126.6 Ų126.686%0.85571%0.708SS**  trans-68.5160.8-168.8-66.3175-66.600116.6
663M26Very low26.7Very low186 Ų186118.9 Ų118.992%0.91669%0.685SS**  trans75138.6160.4-71.9173.6163.400117
664S28.5Very low27.3Very low82 Ų82118.5 Ų118.557%0.57369%0.688SS**  cis-143.1156.419.752.40000112.6
665E25.5Very low28.1Very low157 Ų157119.2 Ų119.273%0.73468%0.68SS**  trans-72.6135.9-177.9-62173.6150.800111.8
666H25.5Very low28.6Very low175 Ų175118.5 Ų118.581%0.8167%0.673SS**  trans152.286.7145.7-77.2-29.1000111.1
667L27.5Very low29.2Very low146 Ų146120 Ų12076%0.76467%0.672SS**  trans-121.1130.8161.9-91.6141.5000109.1
668I24.3Very low29.9Very low163 Ų163118 Ų11884%0.83667%0.665SS**PPolyproline II helixtrans-58.6120.7-172.7-60.3165000109.6V670I668-V670 PolarHBondContact O-N 3.24Å
669P26.8Very low30.7Very low110 Ų110117 Ų11771%0.71465%0.654SS**PPolyproline II helixtrans-68.3125.1176.626.3-31.4000109.7P671P669-P671 WeakPolarHBondContact O-CD 3.4Å
670V27.4Very low31.1Very low125 Ų125115.8 Ų115.876%0.75866%0.657SS**PPolyproline II helixtrans-61.8122.1163.6-175.30000106.9I668 M672I668-V670 PolarHBondContact O-N 3.24Å; V670-M672 PolarHBondContact O-N 2.89Å
671P25.8Very low32.2Very low126 Ų126116.7 Ų116.782%0.81864%0.644SS**  trans-66.8107-174.325.2-31.8000109.7P669P669-P671 WeakPolarHBondContact O-CD 3.4Å
672M36.4Very low33Very low89 Ų89120.7 Ų120.744%0.43864%0.635SS.*  trans-85.9144.8167.7-68.1-137.5-60.700110.2M65 V670 K674M65-M672 HydrophobicContact CE-CE 3.3Å; M65-M672 HydrophobicContact CE-SD 4.39Å; M65-M672 HydrophobicContact SD-CE 4.15Å; V670-M672 PolarHBondContact O-N 2.89Å; M672-K674 PolarHBondContact O-N 2.88Å
673S31.5Very low33.7Very low43 Ų43114 Ų11430%0.30161%0.607SS.*  trans-45.6127170.4169.90000110.4Q675 D678 Q679S673-Q675 PolarHBondContact O-N 3.11Å; S673-Q675 PolarHBondContact OG-N 2.72Å; S673-D678 WeakPolarHBondContact CB-OD2 3.26Å; S673-D678 PolarHBondContact OG-OD2 3.08Å; S673-Q679 PolarHBondContact O-NE2 3.49Å
674K37.6Very low34.5Very low204 Ų204109.7 Ų109.789%0.88759%0.59SS**SBendtrans-73-4.8179.5-72-174.2177.2-178.30113.2M672M672-K674 PolarHBondContact O-N 2.88Å
675Q41.7Very low35.2Very low118 Ų118109.4 Ų109.455%0.55158%0.582SS**  trans-84.2123.9-177-68.1-166.5-9.300111.2S673 T677 D678 Q679S673-Q675 PolarHBondContact O-N 3.11Å; S673-Q675 PolarHBondContact OG-N 2.72Å; Q675-T677 PolarHBondContact O-N 3.43Å; Q675-D678 HydrophobicContact CB-CB 4.5Å; Q675-D678 PolarHBondContact O-N 3.46Å; Q675-Q679 PolarHBondContact O-N 2.55Å
676P37.8Very low35.9Very low100 Ų100103.9 Ų103.965%0.64956%0.563SS**Hα-helixtrans-61.6-26.5179.322-31000112.9A680P676-A680 PolarHBondContact O-N 3.23Å; P676-A680 VanDerWaalsContact O-N 3.11Å
677T40.6Very low36.5Very low86 Ų8697.9 Ų97.953%0.52854%0.535SS..Hα-helixtrans-65.9-43.7175.311.50000113Q675 Q679 A680 I681Q675-T677 PolarHBondContact O-N 3.43Å; T677-Q679 VanDerWaalsContact C-N 3.3Å; T677-Q679 PolarHBondContact O-N 2.72Å; T677-A680 PolarHBondContact O-N 2.85Å; T677-I681 WeakPolarHBondContact O-CD1 3.29Å; T677-I681 VanDerWaalsContact O-CG1 3.26Å; T677-I681 WeakPolarHBondContact O-CG1 3.42Å; T677-I681 PolarHBondContact O-N 3.37Å
678D40.4Very low37.3Very low62 Ų6297.1 Ų97.133%0.33252%0.522SS..Hα-helixtrans-65.8-35.6177.8-91.7-9.8000111.8S673 Q675 R682S673-D678 WeakPolarHBondContact CB-OD2 3.26Å; S673-D678 PolarHBondContact OG-OD2 3.08Å; Q675-D678 HydrophobicContact CB-CB 4.5Å; Q675-D678 PolarHBondContact O-N 3.46Å; D678-R682 WeakPolarHBondContact O-CB 3.38Å; D678-R682 VanDerWaalsContact O-CG 3.32Å; D678-R682 WeakPolarHBondContact O-CG 3.5Å; D678-R682 PolarHBondContact O-N 3.05Å
679Q41.9Very low38.1Very low74 Ų7495.1 Ų95.135%0.34651%0.511SS..Hα-helixtrans-66.1-46.9176.5-65.8-177.6-8.200110.9S673 Q675 T677 I681 R682 V683S673-Q679 PolarHBondContact O-NE2 3.49Å; Q675-Q679 PolarHBondContact O-N 2.55Å; T677-Q679 VanDerWaalsContact C-N 3.3Å; T677-Q679 PolarHBondContact O-N 2.72Å; Q679-I681 PolarHBondContact O-N 3.47Å; Q679-R682 PolarHBondContact O-N 2.71Å; Q679-V683 VanDerWaalsContact O-CG2 3.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.3Å; Q679-V683 PolarHBondContact O-N 3.33Å
680A36.2Very low38.6Very low55 Ų5590.3 Ų90.346%0.45548%0.482SS..Hα-helixtrans-61.1-44.7176.700000112P676 T677 R682 V683 V684P676-A680 PolarHBondContact O-N 3.23Å; P676-A680 VanDerWaalsContact O-N 3.11Å; T677-A680 PolarHBondContact O-N 2.85Å; A680-R682 PolarHBondContact O-N 3.27Å; A680-V683 PolarHBondContact O-N 3.18Å; A680-V684 VanDerWaalsContact O-CG2 3.3Å; A680-V684 WeakPolarHBondContact O-CG2 3.32Å; A680-V684 PolarHBondContact O-N 2.95Å
681I46.6Very low39.1Very low91 Ų9190.4 Ų90.447%0.46748%0.475SS..Hα-helixtrans-63.6-41178.7-67.7165.3000111.3T677 Q679 V684 N685T677-I681 WeakPolarHBondContact O-CD1 3.29Å; T677-I681 VanDerWaalsContact O-CG1 3.26Å; T677-I681 WeakPolarHBondContact O-CG1 3.42Å; T677-I681 PolarHBondContact O-N 3.37Å; Q679-I681 PolarHBondContact O-N 3.47Å; I681-V684 PolarHBondContact O-N 3.01Å; I681-N685 WeakPolarHBondContact O-CB 3.15Å; I681-N685 VanDerWaalsContact O-CG 3.29Å; I681-N685 PolarHBondContact O-N 3.32Å; I681-N685 PolarHBondContact O-ND2 2.69Å
682R42.4Very low39.7Very low160 Ų16090 Ų9060%0.60446%0.462SS*.Hα-helixtrans-65.5-39.5176.6-77-179.2-176-145.81112.4D678 Q679 A680 N685 A686D678-R682 WeakPolarHBondContact O-CB 3.38Å; D678-R682 VanDerWaalsContact O-CG 3.32Å; D678-R682 WeakPolarHBondContact O-CG 3.5Å; D678-R682 PolarHBondContact O-N 3.05Å; Q679-R682 PolarHBondContact O-N 2.71Å; A680-R682 PolarHBondContact O-N 3.27Å; R682-N685 PolarHBondContact O-N 3.47Å; R682-A686 VanDerWaalsContact O-CB 3.22Å; R682-A686 WeakPolarHBondContact O-CB 3.38Å; R682-A686 PolarHBondContact O-N 2.86Å
683V38.2Very low40Very low43 Ų4394.1 Ų94.126%0.26147%0.473SS..Hα-helixtrans-65.7-44.8176173.10000111A58 L74 Q679 A680 N685 A686 F687A58-V683 HydrophobicContact CB-CG1 3.68Å; L74-V683 HydrophobicContact CD1-CG1 4.22Å; L74-V683 HydrophobicContact CD2-CG1 4.38Å; Q679-V683 VanDerWaalsContact O-CG2 3.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.3Å; Q679-V683 PolarHBondContact O-N 3.33Å; A680-V683 PolarHBondContact O-N 3.18Å; V683-N685 PolarHBondContact O-N 3.24Å; V683-A686 PolarHBondContact O-N 2.88Å; V683-F687 WeakPolarHBondContact O-CB 3.34Å; V683-F687 PolarHBondContact O-N 2.99Å
684V41.8Very low40.4Very low94 Ų94100 Ų10057%0.5749%0.489SS*.Hα-helixtrans-62.1-42.9176.2171.70000111.3A680 I681 F687 R688A680-V684 VanDerWaalsContact O-CG2 3.3Å; A680-V684 WeakPolarHBondContact O-CG2 3.32Å; A680-V684 PolarHBondContact O-N 2.95Å; I681-V684 PolarHBondContact O-N 3.01Å; V684-F687 PolarHBondContact O-N 3.36Å; V684-R688 WeakPolarHBondContact O-CB 3.22Å; V684-R688 PolarHBondContact O-N 2.76Å
685N42.9Very low40.4Very low76 Ų7698.3 Ų98.341%0.40648%0.484SS..Hα-helixtrans-68.6-38.3177.2-74.8-24.5000112.4I681 R682 V683 R688 M689I681-N685 WeakPolarHBondContact O-CB 3.15Å; I681-N685 VanDerWaalsContact O-CG 3.29Å; I681-N685 PolarHBondContact O-N 3.32Å; I681-N685 PolarHBondContact O-ND2 2.69Å; R682-N685 PolarHBondContact O-N 3.47Å; V683-N685 PolarHBondContact O-N 3.24Å; N685-R688 PolarHBondContact O-N 2.91Å; N685-M689 WeakPolarHBondContact O-CB 3.18Å; N685-M689 VanDerWaalsContact O-CG 3.26Å; N685-M689 WeakPolarHBondContact O-CG 3.39Å; N685-M689 PolarHBondContact O-N 3.2Å
686A40.1Very low40.3Very low41 Ų4197.4 Ų97.434%0.33949%0.488SS..Hα-helixtrans-65.6-39.717500000111.6L74 R682 V683 M689 G690L74-A686 HydrophobicContact CD1-CB 3.77Å; R682-A686 VanDerWaalsContact O-CB 3.22Å; R682-A686 WeakPolarHBondContact O-CB 3.38Å; R682-A686 PolarHBondContact O-N 2.86Å; V683-A686 PolarHBondContact O-N 2.88Å; A686-M689 PolarHBondContact O-N 3.36Å; A686-G690 PolarHBondContact O-N 3.16Å
687F39.1Very low40.3Very low49 Ų4997.7 Ų97.722%0.21549%0.493CS..Hα-helixtrans-63.9-45.8173.9-176-102.3000111.5L57 L74 V683 V684 M689 G690 M691L57-F687 HydrophobicContact CD1-CD2 4.43Å; L57-F687 HydrophobicContact CD1-CE2 4.16Å; L74-F687 HydrophobicContact CD1-CB 4.05Å; V683-F687 WeakPolarHBondContact O-CB 3.34Å; V683-F687 PolarHBondContact O-N 2.99Å; V684-F687 PolarHBondContact O-N 3.36Å; F687-M689 VanDerWaalsContact C-N 3.32Å; F687-M689 PolarHBondContact O-N 2.74Å; F687-G690 PolarHBondContact O-N 3.21Å; F687-G690 VanDerWaalsContact O-N 3.12Å; F687-M691 HydrophobicContact CD1-CG 4.43Å; F687-M691 HydrophobicContact CD1-SD 4.05Å; F687-M691 HydrophobicContact CE1-CG 4.06Å; F687-M691 HydrophobicContact CE1-SD 3.39Å; F687-M691 WeakPolarHBondContact CE1-SD 3.05Å; F687-M691 HydrophobicContact CZ-CG 4.25Å; F687-M691 HydrophobicContact CZ-SD 3.91Å; F687-M691 PolarHBondContact O-N 2.9Å
688R43.6Very low40.1Very low130 Ų130100.6 Ų100.649%0.49150%0.504SS..Hα-helixtrans-58.9-42.8174.3-175.6-175.5145.3179.9-8.8111.7V684 N685 G690 M691 E692V684-R688 WeakPolarHBondContact O-CB 3.22Å; V684-R688 PolarHBondContact O-N 2.76Å; N685-R688 PolarHBondContact O-N 2.91Å; R688-G690 VanDerWaalsContact C-N 3.34Å; R688-M691 PolarHBondContact O-N 2.99Å; R688-E692 IonicContact CZ-OE1 2.72Å; R688-E692 IonicContact NE-OE1 2.7Å; R688-E692 PolarHBondContact NE-OE1 3.48Å; R688-E692 IonicContact NH2-OE1 3.37Å; R688-E692 PolarHBondContact NH2-OE1 2.67Å; R688-E692 WeakPolarHBondContact O-CB 3.49Å; R688-E692 WeakPolarHBondContact O-CG 3.34Å; R688-E692 PolarHBondContact O-N 3.23Å
689M42.3Very low40.1Very low121 Ų121102.8 Ų102.860%0.59652%0.52SS*.Hα-helixtrans-66.9-32175.6-74.4-179.8173.200113.1N685 A686 F687 R693N685-M689 WeakPolarHBondContact O-CB 3.18Å; N685-M689 VanDerWaalsContact O-CG 3.26Å; N685-M689 WeakPolarHBondContact O-CG 3.39Å; N685-M689 PolarHBondContact O-N 3.2Å; A686-M689 PolarHBondContact O-N 3.36Å; F687-M689 VanDerWaalsContact C-N 3.32Å; F687-M689 PolarHBondContact O-N 2.74Å; M689-R693 WeakPolarHBondContact O-CG 3.44Å; M689-R693 PolarHBondContact O-N 2.97Å
690G35.7Very low40.4Very low10 Ų10100.6 Ų100.610%0.10352%0.517CS..Hα-helixtrans-67.7-47172.900000112A686 F687 R688 E692 R693A686-G690 PolarHBondContact O-N 3.16Å; F687-G690 PolarHBondContact O-N 3.21Å; F687-G690 VanDerWaalsContact O-N 3.12Å; R688-G690 VanDerWaalsContact C-N 3.34Å; G690-E692 PolarHBondContact O-N 2.93Å; G690-R693 PolarHBondContact O-N 3.49Å; G690-R693 VanDerWaalsContact O-N 3.15Å
691M38.1Very low41.3Very low126 Ų126102.6 Ų102.662%0.62153%0.525SS*.Hα-helixtrans-59.4-42.3173.7-75.4-170.358.700112.7F687 R688 R693 R694F687-M691 HydrophobicContact CD1-CG 4.43Å; F687-M691 HydrophobicContact CD1-SD 4.05Å; F687-M691 HydrophobicContact CE1-CG 4.06Å; F687-M691 HydrophobicContact CE1-SD 3.39Å; F687-M691 WeakPolarHBondContact CE1-SD 3.05Å; F687-M691 HydrophobicContact CZ-CG 4.25Å; F687-M691 HydrophobicContact CZ-SD 3.91Å; F687-M691 PolarHBondContact O-N 2.9Å; R688-M691 PolarHBondContact O-N 2.99Å; M691-R693 PolarHBondContact O-N 3.47Å; M691-R694 PolarHBondContact O-N 3.28Å
692E39.7Very low41.3Very low118 Ų118102.3 Ų102.355%0.55153%0.531SS*.Hα-helixtrans-66.3-21.4178.5-76.1173.7-172.500113.1R688 G690R688-E692 IonicContact CZ-OE1 2.72Å; R688-E692 IonicContact NE-OE1 2.7Å; R688-E692 PolarHBondContact NE-OE1 3.48Å; R688-E692 IonicContact NH2-OE1 3.37Å; R688-E692 PolarHBondContact NH2-OE1 2.67Å; R688-E692 WeakPolarHBondContact O-CB 3.49Å; R688-E692 WeakPolarHBondContact O-CG 3.34Å; R688-E692 PolarHBondContact O-N 3.23Å; G690-E692 PolarHBondContact O-N 2.93Å
693R41.5Very low41.7Very low176 Ų17697.6 Ų97.666%0.66452%0.52SS*.Hα-helixtrans-83.9-17.5178.7-81.1-175.7-175.6-169.22.6114.7M689 G690 M691 E695 P696M689-R693 WeakPolarHBondContact O-CG 3.44Å; M689-R693 PolarHBondContact O-N 2.97Å; G690-R693 PolarHBondContact O-N 3.49Å; G690-R693 VanDerWaalsContact O-N 3.15Å; M691-R693 PolarHBondContact O-N 3.47Å; R693-E695 VanDerWaalsContact C-N 3.26Å; R693-E695 PolarHBondContact O-N 3.08Å; R693-P696 WeakPolarHBondContact O-CG 3.11Å
694R40Very low42.5Very low167 Ų167101.4 Ų101.463%0.6354%0.535SS*.THydrogen-bonded Turntrans-76.2-1.6-177.3-85.4-171.9176.7178.42.8114.6E78 M691E78-R694 IonicContact OE2-NH2 3.48Å; E78-R694 PolarHBondContact OE2-NH2 3.44Å; M691-R694 PolarHBondContact O-N 3.28Å
695E37.9Very low42.9Very low168 Ų168105.7 Ų105.779%0.78554%0.541SS*.  trans-132.674.6172.9-69.6-168.4161.600115.5R693R693-E695 VanDerWaalsContact C-N 3.26Å; R693-E695 PolarHBondContact O-N 3.08Å
696P39.2Very low43.2Very low99 Ų99107.8 Ų107.864%0.64355%0.552SS**  trans-89.2-5.4174.4-4.724.3000114.5R693R693-P696 WeakPolarHBondContact O-CG 3.11Å
697S38.3Very low44Very low106 Ų106113.7 Ų113.774%0.74157%0.565SS**SBendtrans-96.47.8-161.455.70000116.9
698L35.4Very low45.4Very low146 Ų146116.2 Ų116.276%0.76458%0.578SS**  trans-123.369.7172.2-83.298000111.7G700L698-G700 PolarHBondContact O-N 3.1Å
699V40.6Very low46.6Very low109 Ų109114.7 Ų114.766%0.66158%0.578SS**  trans-91.276.4174.7-170.40000109.5
700G49.8Very low47.7Very low28 Ų28111.8 Ų111.829%0.28957%0.569SS.*  trans-93.2154166.800000111.9L698 S702 V703L698-G700 PolarHBondContact O-N 3.1Å; G700-S702 PolarHBondContact O-N 3.35Å; G700-S702 VanDerWaalsContact O-N 3.08Å; G700-V703 PolarHBondContact O-N 3.25Å; G700-V703 VanDerWaalsContact O-N 3.11Å
701P54.1Low49.4Very low97 Ų97119.5 Ų119.563%0.6360%0.595SS**Hα-helixtrans-56.4-26.6178.2-2332.3000114R705P701-R705 PolarHBondContact O-N 3.28Å
702S46.3Very low51.1Low85 Ų85119.1 Ų119.159%0.59459%0.592SS**Hα-helixtrans-70.5-34.8-179.9-39.40000113G700 R705 L706G700-S702 PolarHBondContact O-N 3.35Å; G700-S702 VanDerWaalsContact O-N 3.08Å; S702-R705 PolarHBondContact O-N 3.08Å; S702-L706 PolarHBondContact O-N 3.39Å
703V50.9Low52.5Low61 Ų61117.9 Ų117.937%0.3759%0.589SS.*Hα-helixtrans-76.5-31.3-178.8179.80000111G700 L706 R707G700-V703 PolarHBondContact O-N 3.25Å; G700-V703 VanDerWaalsContact O-N 3.11Å; V703-L706 PolarHBondContact O-N 2.77Å; V703-R707 PolarHBondContact O-N 2.96Å
704Q55.3Low53.9Low122 Ų122114.3 Ų114.357%0.5758%0.58SS**Hα-helixtrans-63.3-41.5171.1-75.1-179-21.200111.9R707 E708Q704-R707 PolarHBondContact O-N 3.43Å; Q704-E708 PolarHBondContact O-N 2.9Å; Q704-E708 VanDerWaalsContact O-N 3.09Å
705R50.2Low55.6Low185 Ų185111.3 Ų111.370%0.69858%0.576SS**Hα-helixtrans-64-39.5174.9-92.4-166.8-93.8-171.9-6.7113P701 S702 E708 I709P701-R705 PolarHBondContact O-N 3.28Å; S702-R705 PolarHBondContact O-N 3.08Å; R705-E708 PolarHBondContact O-N 3.49Å; R705-I709 WeakPolarHBondContact O-CG1 3.43Å; R705-I709 PolarHBondContact O-N 3.1Å
706L50Low57.2Low120 Ų120108.8 Ų108.863%0.62856%0.564SS**Hα-helixtrans-66.1-37.4175.5-88.4157.8000112.8S702 V703 I709 S710S702-L706 PolarHBondContact O-N 3.39Å; V703-L706 PolarHBondContact O-N 2.77Å; L706-I709 PolarHBondContact O-N 2.98Å; L706-S710 WeakPolarHBondContact O-CB 3.17Å; L706-S710 PolarHBondContact O-N 3.39Å
707R55.2Low58.4Low165 Ų165109.7 Ų109.762%0.62356%0.56SS**Hα-helixtrans-63.6-40.3172.8-78.3-174.3-165.8161.74.8112.3V703 Q704 S710 R711V703-R707 PolarHBondContact O-N 2.96Å; Q704-R707 PolarHBondContact O-N 3.43Å; R707-S710 PolarHBondContact O-N 3.25Å; R707-R711 WeakPolarHBondContact O-CB 3.4Å; R707-R711 PolarHBondContact O-N 3.29Å
708E69.8Low59.9Low102 Ų102107.3 Ų107.348%0.47755%0.546SS..Hα-helixtrans-65.2-44.5177.9-170.457.3-152.900111.4Q704 R705 S710 R711 Q712Q704-E708 PolarHBondContact O-N 2.9Å; Q704-E708 VanDerWaalsContact O-N 3.09Å; R705-E708 PolarHBondContact O-N 3.49Å; E708-S710 PolarHBondContact O-N 3.41Å; E708-R711 PolarHBondContact O-N 3.44Å; E708-Q712 WeakPolarHBondContact O-CG 3.34Å; E708-Q712 PolarHBondContact O-N 2.92Å
709I69.1Low61.5Low97 Ų97107.2 Ų107.250%0.49754%0.542SS..Hα-helixtrans-61.3-43.8175.9-67.2166.3000111.2R705 L706 R711 Q712 L713R705-I709 WeakPolarHBondContact O-CG1 3.43Å; R705-I709 PolarHBondContact O-N 3.1Å; L706-I709 PolarHBondContact O-N 2.98Å; I709-R711 VanDerWaalsContact C-N 3.32Å; I709-R711 PolarHBondContact O-N 3.44Å; I709-Q712 PolarHBondContact O-N 2.95Å; I709-L713 HydrophobicContact CG2-CD1 4.09Å; I709-L713 PolarHBondContact O-N 2.75Å
710S65.3Low62.3Low60 Ų60110.7 Ų110.742%0.4254%0.543SS..Hα-helixtrans-63.3-37.9176.7-175.90000112.2L706 R707 E708 L713 Q714L706-S710 WeakPolarHBondContact O-CB 3.17Å; L706-S710 PolarHBondContact O-N 3.39Å; R707-S710 PolarHBondContact O-N 3.25Å; E708-S710 PolarHBondContact O-N 3.41Å; S710-L713 PolarHBondContact O-N 2.89Å; S710-Q714 WeakPolarHBondContact O-CG 3.46Å; S710-Q714 PolarHBondContact O-N 3.49Å
711R70.1Confident62.4Low172 Ų172118.7 Ų118.765%0.64957%0.565SS**Hα-helixtrans-69.5-39.2179-163.6177.7171.2150.2-0.6111.3R707 E708 I709 Q714 L715R707-R711 WeakPolarHBondContact O-CB 3.4Å; R707-R711 PolarHBondContact O-N 3.29Å; E708-R711 PolarHBondContact O-N 3.44Å; I709-R711 VanDerWaalsContact C-N 3.32Å; I709-R711 PolarHBondContact O-N 3.44Å; R711-Q714 PolarHBondContact O-N 2.85Å; R711-L715 WeakPolarHBondContact O-CG 3.38Å; R711-L715 PolarHBondContact O-N 2.96Å
712Q74.3Confident62.5Low118 Ų118117.6 Ų117.655%0.55156%0.559SS**Hα-helixtrans-65.3-40.5173.8-70.2-162.82.700112.6E708 I709 L715 Q716E708-Q712 WeakPolarHBondContact O-CG 3.34Å; E708-Q712 PolarHBondContact O-N 2.92Å; I709-Q712 PolarHBondContact O-N 2.95Å; Q712-L715 PolarHBondContact O-N 2.99Å; Q712-Q716 PolarHBondContact O-N 3.31Å
713L69.8Low62.8Low92 Ų92117 Ų11748%0.48256%0.555SS.*Hα-helixtrans-62.8-40.9174.8-89.6158000112.5I709 S710 Q716 Q717I709-L713 HydrophobicContact CG2-CD1 4.09Å; I709-L713 PolarHBondContact O-N 2.75Å; S710-L713 PolarHBondContact O-N 2.89Å; L713-Q716 PolarHBondContact O-N 3.05Å; L713-Q717 WeakPolarHBondContact O-CG 3.45Å; L713-Q717 PolarHBondContact O-N 3.06Å
714Q71.4Confident62.7Low101 Ų101123 Ų12347%0.47257%0.571SS.*Hα-helixtrans-66.6-38.9176.5-77.3-177.2-2200112.4S710 R711 Q717 A718S710-Q714 WeakPolarHBondContact O-CG 3.46Å; S710-Q714 PolarHBondContact O-N 3.49Å; R711-Q714 PolarHBondContact O-N 2.85Å; Q714-Q717 PolarHBondContact O-N 3.42Å; Q714-A718 WeakPolarHBondContact O-CB 3.32Å; Q714-A718 PolarHBondContact O-N 3.31Å
715L73.9Confident62.4Low105 Ų105119.5 Ų119.555%0.5556%0.563SS.*Hα-helixtrans-65.8-40.6175.5-73168.4000112R711 Q712 Q717 A718 Q719R711-L715 WeakPolarHBondContact O-CG 3.38Å; R711-L715 PolarHBondContact O-N 2.96Å; Q712-L715 PolarHBondContact O-N 2.99Å; L715-Q717 VanDerWaalsContact C-N 3.34Å; L715-Q717 PolarHBondContact O-N 3.27Å; L715-A718 PolarHBondContact O-N 2.96Å; L715-Q719 PolarHBondContact O-N 2.92Å
716Q71.6Confident62.3Low114 Ų114114.4 Ų114.453%0.53356%0.556SS.*Hα-helixtrans-61.9-39.8173.1-86.7-167.8-1900112.5Q712 L713 R720Q712-Q716 PolarHBondContact O-N 3.31Å; L713-Q716 PolarHBondContact O-N 3.05Å; Q716-R720 WeakPolarHBondContact O-CG 3.26Å; Q716-R720 PolarHBondContact O-N 3.45Å; Q716-R720 VanDerWaalsContact O-N 3.11Å
717Q65.9Low62.2Low119 Ų119112.3 Ų112.356%0.55655%0.551SS**Hα-helixtrans-68.2-36.8176.3-75.1-176.9-12.800112.3L713 Q714 L715 R720 R721L713-Q717 WeakPolarHBondContact O-CG 3.45Å; L713-Q717 PolarHBondContact O-N 3.06Å; Q714-Q717 PolarHBondContact O-N 3.42Å; L715-Q717 VanDerWaalsContact C-N 3.34Å; L715-Q717 PolarHBondContact O-N 3.27Å; Q717-R720 PolarHBondContact O-N 3.27Å; Q717-R721 WeakPolarHBondContact O-CG 3.23Å; Q717-R721 PolarHBondContact O-N 3.11Å; Q717-R721 VanDerWaalsContact O-N 3.13Å
718A68.8Low61.7Low56 Ų56110 Ų11046%0.46355%0.551SS.*Hα-helixtrans-66.1-42.8175.500000112.1Q714 L715 R720 R721 S722Q714-A718 WeakPolarHBondContact O-CB 3.32Å; Q714-A718 PolarHBondContact O-N 3.31Å; L715-A718 PolarHBondContact O-N 2.96Å; A718-R720 PolarHBondContact O-N 3.4Å; A718-R721 PolarHBondContact O-N 3.24Å; A718-S722 PolarHBondContact O-N 3.43Å
719Q69.7Low60.6Low144 Ų144111.9 Ų111.967%0.67356%0.563SS**Hα-helixtrans-63.7-39.3175.4-76.5-176.3-33.200112.4L715 R721 S722 S723L715-Q719 PolarHBondContact O-N 2.92Å; Q719-R721 VanDerWaalsContact C-N 3.31Å; Q719-R721 PolarHBondContact O-N 3.48Å; Q719-S722 PolarHBondContact O-N 3.32Å; Q719-S723 PolarHBondContact O-N 3.14Å; Q719-S723 PolarHBondContact O-OG 2.87Å
720R57.4Low59.5Low181 Ų181111.7 Ų111.768%0.68358%0.576SS**Hα-helixtrans-65.7-30.2175-75.6-177.2-180-167.81.4113.5Q716 Q717 A718 S723 R724Q716-R720 WeakPolarHBondContact O-CG 3.26Å; Q716-R720 PolarHBondContact O-N 3.45Å; Q716-R720 VanDerWaalsContact O-N 3.11Å; Q717-R720 PolarHBondContact O-N 3.27Å; A718-R720 PolarHBondContact O-N 3.4Å; R720-S723 PolarHBondContact O-OG 3.03Å; R720-R724 PolarHBondContact O-N 2.86Å
721R52.6Low58.6Low196 Ų196112.7 Ų112.774%0.7458%0.583SS**Hα-helixtrans-75.5-37.4174.2-74.5-178.4177.7-178.70.2111.8Q717 A718 Q719 A725Q717-R721 WeakPolarHBondContact O-CG 3.23Å; Q717-R721 PolarHBondContact O-N 3.11Å; Q717-R721 VanDerWaalsContact O-N 3.13Å; A718-R721 PolarHBondContact O-N 3.24Å; Q719-R721 VanDerWaalsContact C-N 3.31Å; Q719-R721 PolarHBondContact O-N 3.48Å; R721-A725 WeakPolarHBondContact O-CB 3.07Å; R721-A725 PolarHBondContact O-N 2.87Å
722S54.1Low57.2Low74 Ų74111 Ų11152%0.51759%0.586SS.*Hα-helixtrans-64.1-44174.6168.50000112.4A718 Q719 R724 A725 S726A718-S722 PolarHBondContact O-N 3.43Å; Q719-S722 PolarHBondContact O-N 3.32Å; S722-R724 PolarHBondContact O-N 2.77Å; S722-A725 PolarHBondContact O-N 3.02Å; S722-S726 PolarHBondContact O-N 3.1Å; S722-S726 PolarHBondContact O-OG 3.3Å
723S54.4Low55.6Low73 Ų73111.3 Ų111.351%0.5160%0.598SS.*Hα-helixtrans-67.6-35.218059.50000113.1Q719 R720 S727Q719-S723 PolarHBondContact O-N 3.14Å; Q719-S723 PolarHBondContact O-OG 2.87Å; R720-S723 PolarHBondContact O-OG 3.03Å; S723-S727 PolarHBondContact O-N 3Å; S723-S727 PolarHBondContact O-OG 3.19Å
724R48.2Very low54Low188 Ų188114.3 Ų114.371%0.70962%0.62SS**Hα-helixtrans-71.1-31.4173.3-81-176.8171.1-177.5-2.8113.5R720 S722 S727 L728R720-R724 PolarHBondContact O-N 2.86Å; S722-R724 PolarHBondContact O-N 2.77Å; R724-S727 PolarHBondContact O-OG 2.92Å; R724-L728 WeakPolarHBondContact O-CG 3.32Å; R724-L728 PolarHBondContact O-N 3.2Å
725A49.2Very low52.2Low48 Ų48112.4 Ų112.440%0.39763%0.627SS.*Hα-helixtrans-71.7-3917500000111.8R721 S722 S727 L728 L729R721-A725 WeakPolarHBondContact O-CB 3.07Å; R721-A725 PolarHBondContact O-N 2.87Å; S722-A725 PolarHBondContact O-N 3.02Å; A725-S727 PolarHBondContact O-N 3.46Å; A725-L728 PolarHBondContact O-N 2.86Å; A725-L729 PolarHBondContact O-N 3.29Å
726S48.5Very low50.3Low77 Ų77117.4 Ų117.454%0.53865%0.645SS.*Hα-helixtrans-68.1-32.6176.7-59.70000113.2S722 L728S722-S726 PolarHBondContact O-N 3.1Å; S722-S726 PolarHBondContact O-OG 3.3Å; S726-L728 VanDerWaalsContact C-N 3.34Å
727S47.8Very low48.3Very low77 Ų77121.6 Ų121.654%0.53866%0.661SS.*Hα-helixtrans-73.2-23.8174.459.30000113.9S723 R724 A725S723-S727 PolarHBondContact O-N 3Å; S723-S727 PolarHBondContact O-OG 3.19Å; R724-S727 PolarHBondContact O-OG 2.92Å; A725-S727 PolarHBondContact O-N 3.46Å
728L44.6Very low46.7Very low117 Ų117122.2 Ų122.261%0.61367%0.673SS**Hα-helixtrans-89.9-23.1178.1-76.9167.9000113.1R724 A725 S726 S731R724-L728 WeakPolarHBondContact O-CG 3.32Å; R724-L728 PolarHBondContact O-N 3.2Å; A725-L728 PolarHBondContact O-N 2.86Å; S726-L728 VanDerWaalsContact C-N 3.34Å; L728-S731 PolarHBondContact O-OG 3.04Å
729L46.2Very low45Very low141 Ų141125.2 Ų125.274%0.73869%0.691SS**Hα-helixtrans-79.2-17174.4-81.9160.6000113.3A725 S731A725-L729 PolarHBondContact O-N 3.29Å; L729-S731 VanDerWaalsContact C-N 3.35Å
730A46.7Very low43.1Very low92 Ų92129.1 Ų129.176%0.7670%0.7SS**THydrogen-bonded Turntrans-82.8-6.1177.700000114.3
731S46.5Very low41.9Very low81 Ų81126.5 Ų126.557%0.56671%0.709SS**THydrogen-bonded Turntrans-113.410.5-171.958.30000115.5L728 L729L728-S731 PolarHBondContact O-OG 3.04Å; L729-S731 VanDerWaalsContact C-N 3.35Å
732L38.9Very low41Very low137 Ų137121.4 Ų121.472%0.71770%0.703SS**  trans-116.1124.6-178.6-76.4164.1000112.6
733P42.3Very low39.9Very low124 Ų124123.7 Ų123.781%0.80572%0.717SS**  trans-75.4147.2-177.829.4-31.6000112.8
734V34.6Very low38.9Very low156 Ų156127.2 Ų127.295%0.94574%0.735SS**  trans-69.3124.1-175178.60000111.7
735G35.3Very low38.1Very low60 Ų60124.9 Ų124.962%0.61974%0.742SS**  trans164.694.416500000113.8
736F32.3Very low37.3Very low210 Ų210126 Ų12692%0.92176%0.757SS**  177.598.1129.8-111.7-94000109.3
737K30.5Very low36.8Very low202 Ų202128 Ų12888%0.87877%0.768SS**  trans-96.2128.7159-94.6178.7174.9173.30107.1
738T33Very low36Very low132 Ų132131 Ų13181%0.8178%0.777SS**  trans173.8140.1146.344.80000105.3
739S32.6Very low35.5Very low120 Ų120132.5 Ų132.584%0.83979%0.785SS**  cis-151149.126.3-179.20000110.4
740R29.8Very low34.9Very low226 Ų226130.6 Ų130.685%0.85378%0.784SS**  trans-78.2149.6-177.3-73.6168.2162.6168.2-8.1112.4
741S32.4Very low34.3Very low126 Ų126131.8 Ų131.888%0.88179%0.786SS**  trans-132.6111136.859.80000108.7
742S32.9Very low33.7Very low88 Ų88131.7 Ų131.762%0.61580%0.798SS**  trans-74.6155.5-172.3-39.80000113.2
743P31Very low33.3Very low122 Ų122128.9 Ų128.979%0.79280%0.802SS**  trans-82.2136.3169.633.9-29.2000110.1
744V34.3Very low32.8Very low148 Ų148127.8 Ų127.890%0.89780%0.797SS**  trans-88.6109.5175.61760000109.5
745T31.1Very low32.7Very low139 Ų139126.4 Ų126.485%0.85379%0.79SS**  trans-88.6138.6155.914.50000109.2
746G31.8Very low32.6Very low70 Ų70128.2 Ų128.272%0.72279%0.793SS**  trans177.8139.5163.900000114.5
747P37.8Very low32.5Very low119 Ų119126.3 Ų126.377%0.77379%0.792SS**  trans-124.2-166.9-150.125.6-0.4000114.7
748I31.7Very low32.6Very low142 Ų142120.3 Ų120.373%0.72879%0.787SS**  trans100.9116.9148.8-43.3175.7000118.2
749L34.6Very low32.6Very low147 Ų147118 Ų11877%0.7779%0.79SS**  142.597.7129.7-92.4115.3000111.5
750S32.1Very low32.6Very low102 Ų102115.9 Ų115.971%0.71379%0.787SS**  74.1131.399.585.30000113.1
751S34.7Very low32.6Very low116 Ų116116.9 Ų116.981%0.81179%0.791SS**  cis-170.7134.528.144.80000108.3
752G33.3Very low32.7Very low79 Ų79115.7 Ų115.781%0.81478%0.782SS**  110.9103.4114.300000110.4
753G31.2Very low32.4Very low78 Ų78116.3 Ų116.380%0.80479%0.786SS**  98.1134.592.200000107.9
754S32Very low32.6Very low101 Ų101118.1 Ų118.171%0.70679%0.788SS**  cis-178.7154.818.444.30000107.7
755T31.5Very low32.2Very low128 Ų128117 Ų11779%0.78578%0.782SS**  trans65.2139.8145.1540000118
756S33.3Very low32.1Very low97 Ų97117 Ų11768%0.67878%0.782SS**  cis169.3128.712.8390000102.9
757D30.9Very low31.7Very low171 Ų171119 Ų11991%0.91479%0.785SS**  133.2150.381.5-123.7-25000107.3
758G33.4Very low31.4Very low75 Ų75117.7 Ų117.777%0.77378%0.783SS**  trans11376.1146.300000120.4
759G32.5Very low31.5Very low85 Ų85121.4 Ų121.488%0.87681%0.813SS**  99.4104.5121.900000121.1
760G32.7Very low31.3Very low74 Ų74120.2 Ų120.276%0.76382%0.815SS**  111.3100.2117.100000120.3
761R29.8Very low31.3Very low248 Ų248121.1 Ų121.194%0.93682%0.82SS**  trans52.5136135.7-77.9174.7169168.9-3.9118.8
762S33.5Very low31.1Very low100 Ų100121.4 Ų121.470%0.69982%0.821SS**  cis-174.3136.12141.70000111.1
763S28.2Very low31Very low101 Ų101123.9 Ų123.971%0.70682%0.821SS**  trans49.1123.413869.80000120.5
764I34.1Very low30.9Very low160 Ų160126.8 Ų126.882%0.82182%0.822SS**  -170.812478.3-80.8165.4000108.7
765T25.9Very low30.9Very low125 Ų125128.5 Ų128.577%0.76783%0.83SS**  trans-61.7147.6169.833.20000113.8
766T29.9Very low30.8Very low139 Ų139128.5 Ų128.585%0.85383%0.833SS**  -172112.1110.3-60.70000109.8
767S22.6Very low30.6Very low113 Ų113130.9 Ų130.979%0.7985%0.845SS**  trans-91.215216272.10000110
768A30.5Very low30.6Very low90 Ų90127.6 Ų127.674%0.74484%0.839SS**  trans-172.1120.1135.500000112.2
769V34.1Very low30.3Very low221 Ų221132.4 Ų132.4100%1.33985%0.845SS**  trans70.20154.2-167.80000119

Retrieved 769 of 769 residues in 460.5 ms (Link to these results)

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