A0A077Z9G3_TRITR Loading...

G protein linked acetylcholine receptor

AlphaFold DB , UniProt , Accession A0A077Z9G3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 579 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
1M37.3Very low55Low242 Ų242131.5 Ų131.5100%1.19273%0.73SS**  064.50-171.2157.7142.400107.8
2S39.9Very low58.1Low115 Ų115127.7 Ų127.780%0.80472%0.716SS**  trans-166.755.5-179.7-49.10000109
3D36.4Very low60.8Low153 Ų153127.7 Ų127.782%0.81871%0.712SS**  trans-153.1147.1175.8-113-26.8000110.9
4D42.9Very low63.2Low145 Ų145122.4 Ų122.478%0.77570%0.701SS**SBendtrans85.1127.6-179.9-52.3-38.3000116.3
5T44.5Very low65.2Low104 Ų104118.7 Ų118.764%0.63868%0.678SS**  trans96.343.4171.476.10000119.5Y7T5-Y7 HydrophobicContact CG2-CD2 4.18Å; T5-Y7 HydrophobicContact CG2-CE2 3.49Å; T5-Y7 VanDerWaalsContact CG2-CE2 3.49Å; T5-Y7 PolarHBondContact O-N 3.11Å; T5-Y7 VanDerWaalsContact O-N 3.16Å
6A43.6Very low67Low107 Ų107113 Ų11388%0.88465%0.646SS**  trans-77.980.9139.600000107.3A8A6-A8 PolarHBondContact O-N 3.45Å
7Y54.1Low68.7Low198 Ų198111.6 Ų111.678%0.77664%0.635SS**  trans-60.7106.7166.8-75.2-80000106.3T5 E9T5-Y7 HydrophobicContact CG2-CD2 4.18Å; T5-Y7 HydrophobicContact CG2-CE2 3.49Å; T5-Y7 VanDerWaalsContact CG2-CE2 3.49Å; T5-Y7 PolarHBondContact O-N 3.11Å; T5-Y7 VanDerWaalsContact O-N 3.16Å; Y7-E9 PolarHBondContact O-N 3.49Å
8A63.4Low70.2Confident62 Ų62111.7 Ų111.751%0.51263%0.627SS.*  trans-53.3118.417200000107.2A6A6-A8 PolarHBondContact O-N 3.45Å
9E74.9Confident71.5Confident146 Ų146107.5 Ų107.568%0.68260%0.603SS**  trans-37.8128.4-177.9-78.5-65.6149.100110.9Y7 R81Y7-E9 PolarHBondContact O-N 3.49Å; E9-R81 PolarHBondContact O-NE 3.01Å; E9-R81 PolarHBondContact O-NH1 3.48Å; E9-R81 PolarHBondContact O-NH2 3.43Å
10P81.3Confident72.8Confident103 Ų103106.5 Ų106.567%0.66959%0.589SS**PPolyproline II helixtrans-55.3150.5-177.922.9-32.7000111.2
11Y86.9Confident73.9Confident71 Ų71106.6 Ų106.628%0.27859%0.588SS.*PPolyproline II helixtrans-57.5145.6169.8-75.6-63.6000110.2L13 L15 V78 R81Y11-L13 PolarHBondContact O-N 3.32Å; Y11-L15 HydrophobicContact CD1-CD2 3.76Å; Y11-L15 HydrophobicContact CE1-CD2 4.39Å; Y11-L15 HydrophobicContact CG-CD2 4.21Å; Y11-V78 WeakPolarHBondContact CE2-O 3.17Å; Y11-R81 HydrophobicContact CD2-CG 3.76Å; Y11-R81 HydrophobicContact CE2-CG 3.37Å
12P92.2Very high76.7Confident86 Ų8697.7 Ų97.756%0.55855%0.545SS*.PPolyproline II helixtrans-57.2137.517823.4-32.3000109.7G14 L15 V16P12-G14 PolarHBondContact O-N 3.49Å; P12-G14 VanDerWaalsContact O-N 3.09Å; P12-L15 HydrophobicContact CG-CB 3.88Å; P12-L15 HydrophobicContact CG-CD2 4.47Å; P12-L15 WeakPolarHBondContact O-CA 3.17Å; P12-L15 WeakPolarHBondContact O-CB 3.45Å; P12-L15 PolarHBondContact O-N 3.39Å; P12-V16 PolarHBondContact O-N 3.34Å
13L92.7Very high79.4Confident128 Ų12892.4 Ų92.467%0.6751%0.508SS*.Hα-helixtrans-52.5-39.1-173-178.863.9000112.7Y11 L15 V16 I17Y11-L13 PolarHBondContact O-N 3.32Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.3Å; L13-V16 PolarHBondContact O-N 3.12Å; L13-I17 HydrophobicContact CD1-CD1 4.22Å; L13-I17 HydrophobicContact CD1-CG1 4.31Å; L13-I17 HydrophobicContact CD2-CD1 4.41Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.37Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 3.23Å
14G95.1Very high82.2Confident54 Ų5489.9 Ų89.956%0.55749%0.494SS*.Hα-helixtrans-59.5-38.8176.500000113.6P12 F18P12-G14 PolarHBondContact O-N 3.49Å; P12-G14 VanDerWaalsContact O-N 3.09Å; G14-F18 VanDerWaalsContact O-CB 3.27Å; G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 3.13Å
15L93Very high84.8Confident67 Ų6787.9 Ų87.935%0.35148%0.482SS..Hα-helixtrans-69.3-41.8175.7179.362000111Y11 P12 L13 F18 L19Y11-L15 HydrophobicContact CD1-CD2 3.76Å; Y11-L15 HydrophobicContact CE1-CD2 4.39Å; Y11-L15 HydrophobicContact CG-CD2 4.21Å; P12-L15 HydrophobicContact CG-CB 3.88Å; P12-L15 HydrophobicContact CG-CD2 4.47Å; P12-L15 WeakPolarHBondContact O-CA 3.17Å; P12-L15 WeakPolarHBondContact O-CB 3.45Å; P12-L15 PolarHBondContact O-N 3.39Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.3Å; L15-F18 HydrophobicContact CD1-CD1 4.4Å; L15-F18 PolarHBondContact O-N 2.91Å; L15-L19 HydrophobicContact CD1-CD1 4.39Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 HydrophobicContact CG-CG 4.4Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 2.99Å
16V94Very high87.2Confident27 Ų2785.7 Ų85.716%0.16446%0.464CS..Hα-helixtrans-60.8-47.8177.1175.90000110.9P12 L13 F18 L19 W20 V79P12-V16 PolarHBondContact O-N 3.34Å; L13-V16 PolarHBondContact O-N 3.12Å; V16-F18 VanDerWaalsContact C-N 3.33Å; V16-F18 PolarHBondContact O-N 3.16Å; V16-L19 PolarHBondContact O-N 3.37Å; V16-W20 VanDerWaalsContact O-CD1 3.28Å; V16-W20 PolarHBondContact O-N 3.46Å; V16-V79 HydrophobicContact CB-CG1 4.41Å; V16-V79 HydrophobicContact CG1-CG1 3.56Å; V16-V79 HydrophobicContact CG1-CG2 4.15Å; V16-V79 HydrophobicContact CG2-CG1 4.03Å
17I96.2Very high89.8Confident90 Ų9081.2 Ų81.246%0.46243%0.426SS..Hα-helixtrans-58.9-46.7175.7-68.1169.1000110.1L13 L19 W20 L21L13-I17 HydrophobicContact CD1-CD1 4.22Å; L13-I17 HydrophobicContact CD1-CG1 4.31Å; L13-I17 HydrophobicContact CD2-CD1 4.41Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.37Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 3.23Å; I17-L19 PolarHBondContact O-N 3.43Å; I17-W20 PolarHBondContact O-N 2.84Å; I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.31Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.32Å; I17-L21 PolarHBondContact O-N 3.45Å
18F95.5Very high91.8Very high112 Ų11275.1 Ų75.149%0.49141%0.409SS..Hα-helixtrans-59.2-45.9178.8176.6-104.5000112.6G14 L15 V16 L21 L22G14-F18 VanDerWaalsContact O-CB 3.27Å; G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 3.13Å; L15-F18 HydrophobicContact CD1-CD1 4.4Å; L15-F18 PolarHBondContact O-N 2.91Å; V16-F18 VanDerWaalsContact C-N 3.33Å; V16-F18 PolarHBondContact O-N 3.16Å; F18-L21 PolarHBondContact O-N 2.83Å; F18-L22 HydrophobicContact CD1-CD1 4.05Å; F18-L22 HydrophobicContact CE1-CD1 3.4Å; F18-L22 VanDerWaalsContact CE1-CD1 3.4Å; F18-L22 HydrophobicContact CE1-CG 4.18Å; F18-L22 HydrophobicContact CE2-CD1 4.26Å; F18-L22 HydrophobicContact CE2-CD2 4.45Å; F18-L22 HydrophobicContact CE2-CG 4.26Å; F18-L22 HydrophobicContact CZ-CD1 3.53Å; F18-L22 HydrophobicContact CZ-CD2 4.33Å; F18-L22 HydrophobicContact CZ-CG 4.02Å; F18-L22 WeakPolarHBondContact O-CG 3.4Å; F18-L22 PolarHBondContact O-N 3.45Å
19L94.6Very high93.4Very high32 Ų3275.1 Ų75.117%0.16840%0.399CS..Hα-helixtrans-62.1-44.5177.7-70.5174.3000111.7L15 V16 I17 L21 L22 T23 T75 V78 V79L15-L19 HydrophobicContact CD1-CD1 4.39Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 HydrophobicContact CG-CG 4.4Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 2.99Å; V16-L19 PolarHBondContact O-N 3.37Å; I17-L19 PolarHBondContact O-N 3.43Å; L19-L21 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 2.9Å; L19-T23 WeakPolarHBondContact O-CB 3.35Å; L19-T23 PolarHBondContact O-N 3.49Å; L19-T23 PolarHBondContact O-OG1 3.3Å; L19-T75 HydrophobicContact CB-CG2 4.42Å; L19-V78 HydrophobicContact CD1-CG1 4.27Å; L19-V79 HydrophobicContact CD1-CG2 4.26Å
20W96.9Very high94.4Very high88 Ų8868.2 Ų68.233%0.33337%0.366SS..Hα-helixtrans-64.1-39.1175.9-82.5111.4000112.7V16 I17 T23 I24 T75 L76V16-W20 VanDerWaalsContact O-CD1 3.28Å; V16-W20 PolarHBondContact O-N 3.46Å; I17-W20 PolarHBondContact O-N 2.84Å; W20-T23 WeakPolarHBondContact O-CB 3.29Å; W20-T23 PolarHBondContact O-N 2.95Å; W20-I24 VanDerWaalsContact O-CG1 3.28Å; W20-I24 WeakPolarHBondContact O-CG1 3.5Å; W20-I24 PolarHBondContact O-N 3.11Å; W20-T75 HydrophobicContact CD2-CG2 3.92Å; W20-T75 HydrophobicContact CE3-CG2 4.09Å; W20-T75 HydrophobicContact CG-CG2 4.38Å; W20-T75 HydrophobicContact CH2-CG2 4.43Å; W20-T75 HydrophobicContact CZ2-CG2 4.29Å; W20-T75 HydrophobicContact CZ3-CG2 4.34Å; W20-L76 HydrophobicContact CH2-CB 4.45Å
21L97Very high95.2Very high108 Ų10865.1 Ų65.157%0.56534%0.344SS*.Hα-helixtrans-63-44.6175.4-72.2175.4000112I17 F18 L19 T23 I24 L25I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.31Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.32Å; I17-L21 PolarHBondContact O-N 3.45Å; F18-L21 PolarHBondContact O-N 2.83Å; L19-L21 PolarHBondContact O-N 3.16Å; L21-T23 VanDerWaalsContact C-N 3.3Å; L21-T23 PolarHBondContact O-N 3.07Å; L21-I24 PolarHBondContact O-N 3.45Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.43Å
22L95.4Very high95.7Very high55 Ų5567 Ų6729%0.28836%0.359SS..Hα-helixtrans-61.5-41.4174.3-72.8-177000111.8F18 L19 L25 F26F18-L22 HydrophobicContact CD1-CD1 4.05Å; F18-L22 HydrophobicContact CE1-CD1 3.4Å; F18-L22 VanDerWaalsContact CE1-CD1 3.4Å; F18-L22 HydrophobicContact CE1-CG 4.18Å; F18-L22 HydrophobicContact CE2-CD1 4.26Å; F18-L22 HydrophobicContact CE2-CD2 4.45Å; F18-L22 HydrophobicContact CE2-CG 4.26Å; F18-L22 HydrophobicContact CZ-CD1 3.53Å; F18-L22 HydrophobicContact CZ-CD2 4.33Å; F18-L22 HydrophobicContact CZ-CG 4.02Å; F18-L22 WeakPolarHBondContact O-CG 3.4Å; F18-L22 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 2.9Å; L22-L25 PolarHBondContact O-N 3.33Å; L22-F26 HydrophobicContact CB-CD2 4.41Å; L22-F26 HydrophobicContact CB-CE2 4.4Å; L22-F26 HydrophobicContact CD2-CE2 4.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.41Å; L22-F26 PolarHBondContact O-N 3.04Å
23T95.8Very high95.9Very high5 Ų563.6 Ų63.63%0.03134%0.338CS..Hα-helixtrans-63.1-46.3179.6-57.50000111.2L19 W20 L21 L25 S27 F71 T75L19-T23 WeakPolarHBondContact O-CB 3.35Å; L19-T23 PolarHBondContact O-N 3.49Å; L19-T23 PolarHBondContact O-OG1 3.3Å; W20-T23 WeakPolarHBondContact O-CB 3.29Å; W20-T23 PolarHBondContact O-N 2.95Å; L21-T23 VanDerWaalsContact C-N 3.3Å; L21-T23 PolarHBondContact O-N 3.07Å; T23-L25 VanDerWaalsContact C-N 3.35Å; T23-S27 WeakPolarHBondContact O-CB 3.49Å; T23-S27 PolarHBondContact O-N 2.92Å; T23-F71 HydrophobicContact CG2-CB 3.95Å; T23-T75 HydrophobicContact CG2-CG2 4.31Å; T23-T75 WeakPolarHBondContact CG2-OG1 3.13Å; T23-T75 WeakPolarHBondContact OG1-CG2 3.37Å; T23-T75 PolarHBondContact OG1-OG1 3.21Å
24I97Very high96Very high100 Ų10057.5 Ų57.551%0.51331%0.306SS..Hα-helixtrans-61.5-45.4175.6-69.3165.4000110.2W20 L21 V28W20-I24 VanDerWaalsContact O-CG1 3.28Å; W20-I24 WeakPolarHBondContact O-CG1 3.5Å; W20-I24 PolarHBondContact O-N 3.11Å; L21-I24 PolarHBondContact O-N 3.45Å; I24-V28 HydrophobicContact CG2-CG2 4.25Å; I24-V28 VanDerWaalsContact O-CB 3.26Å; I24-V28 WeakPolarHBondContact O-CB 3.49Å; I24-V28 WeakPolarHBondContact O-CG2 3.47Å; I24-V28 PolarHBondContact O-N 3.28Å
25L96.1Very high96.1Very high102 Ų10258.3 Ų58.353%0.53430%0.298SS..Hα-helixtrans-57.8-55.4179.1177.764.1000111.7L21 L22 T23 E29L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 3.33Å; T23-L25 VanDerWaalsContact C-N 3.35Å; L25-E29 VanDerWaalsContact O-CB 3.31Å; L25-E29 WeakPolarHBondContact O-CB 3.47Å; L25-E29 PolarHBondContact O-N 3.08Å
26F96.1Very high96.2Very high58 Ų5856.8 Ų56.825%0.25429%0.29SS..Hα-helixtrans-71.3-36.5-177-69.5-56.7000112.9L22 T30 F71 L548L22-F26 HydrophobicContact CB-CD2 4.41Å; L22-F26 HydrophobicContact CB-CE2 4.4Å; L22-F26 HydrophobicContact CD2-CE2 4.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.41Å; L22-F26 PolarHBondContact O-N 3.04Å; F26-T30 VanDerWaalsContact O-CB 3.23Å; F26-T30 WeakPolarHBondContact O-CB 3.41Å; F26-T30 PolarHBondContact O-N 2.99Å; F26-T30 PolarHBondContact O-OG1 3.14Å; F26-F71 HydrophobicContact CB-CD1 4.17Å; F26-F71 HydrophobicContact CB-CE1 3.68Å; F26-F71 HydrophobicContact CB-CZ 3.9Å; F26-F71 HydrophobicContact CG-CE1 4.46Å; F26-L548 HydrophobicContact CB-CD2 4.24Å; F26-L548 HydrophobicContact CD1-CD2 3.27Å; F26-L548 HydrophobicContact CD2-CD2 3.86Å; F26-L548 HydrophobicContact CE1-CD2 3.38Å; F26-L548 HydrophobicContact CE2-CD2 3.95Å; F26-L548 HydrophobicContact CG-CD2 3.53Å; F26-L548 HydrophobicContact CZ-CD2 3.72Å
27S97.3Very high96.3Very high13 Ų1355.5 Ų55.59%0.09128%0.282CS..Hα-helixtrans-60.4-51.1173.71730000110.7T23 E29 T30 I31 G67T23-S27 WeakPolarHBondContact O-CB 3.49Å; T23-S27 PolarHBondContact O-N 2.92Å; S27-E29 PolarHBondContact O-N 3.07Å; S27-T30 PolarHBondContact O-N 3.43Å; S27-I31 WeakPolarHBondContact O-CB 3.45Å; S27-I31 WeakPolarHBondContact O-CG1 3.23Å; S27-I31 PolarHBondContact O-N 3.14Å; S27-G67 WeakPolarHBondContact CB-O 3.46Å; S27-G67 PolarHBondContact OG-O 2.92Å
28V96.9Very high96.3Very high70 Ų7052.9 Ų52.942%0.42427%0.269SS..Hα-helixtrans-63.7-44.1-179.9170.90000111.4I24 T30 I31 L32I24-V28 HydrophobicContact CG2-CG2 4.25Å; I24-V28 VanDerWaalsContact O-CB 3.26Å; I24-V28 WeakPolarHBondContact O-CB 3.49Å; I24-V28 WeakPolarHBondContact O-CG2 3.47Å; I24-V28 PolarHBondContact O-N 3.28Å; V28-T30 VanDerWaalsContact C-N 3.34Å; V28-T30 PolarHBondContact O-N 3.24Å; V28-I31 PolarHBondContact O-N 3.38Å; V28-L32 HydrophobicContact CG1-CD1 3.62Å; V28-L32 HydrophobicContact CG1-CG 4.09Å; V28-L32 WeakPolarHBondContact O-CB 3.43Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.37Å; V28-L32 PolarHBondContact O-N 3.47Å
29E95.8Very high96.3Very high63 Ų6350.2 Ų50.229%0.29426%0.261SS..Hα-helixtrans-58.7-46175.7-179.3177.6-177.300111.7L25 S27 G33 F555L25-E29 VanDerWaalsContact O-CB 3.31Å; L25-E29 WeakPolarHBondContact O-CB 3.47Å; L25-E29 PolarHBondContact O-N 3.08Å; S27-E29 PolarHBondContact O-N 3.07Å; E29-G33 PolarHBondContact O-N 2.71Å; E29-F555 HydrophobicContact CG-CE2 4.16Å; E29-F555 HydrophobicContact CG-CZ 4.25Å; E29-F555 WeakPolarHBondContact OE1-CE2 3.21Å; E29-F555 WeakPolarHBondContact OE1-CZ 3.37Å
30T97.1Very high96.3Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-62.8-47.5178.5-56.50000111.1F26 S27 V28 N34 D63 F71 S551F26-T30 VanDerWaalsContact O-CB 3.23Å; F26-T30 WeakPolarHBondContact O-CB 3.41Å; F26-T30 PolarHBondContact O-N 2.99Å; F26-T30 PolarHBondContact O-OG1 3.14Å; S27-T30 PolarHBondContact O-N 3.43Å; V28-T30 VanDerWaalsContact C-N 3.34Å; V28-T30 PolarHBondContact O-N 3.24Å; T30-N34 VanDerWaalsContact O-CB 3.31Å; T30-N34 WeakPolarHBondContact O-CB 3.4Å; T30-N34 PolarHBondContact O-N 2.84Å; T30-N34 PolarHBondContact O-ND2 3.04Å; T30-D63 VanDerWaalsContact CG2-O 3.22Å; T30-D63 WeakPolarHBondContact CG2-O 3.45Å; T30-F71 HydrophobicContact CG2-CE2 4.46Å; T30-S551 WeakPolarHBondContact OG1-CB 3.44Å; T30-S551 PolarHBondContact OG1-OG 3.35Å
31I97.8Very high96.2Very high39 Ų3945.9 Ų45.920%0.224%0.243CC..Hα-helixtrans-63.3-54.6-179.5-69165.9000110.2S27 V28 G33 N34 L35 L64 M68S27-I31 WeakPolarHBondContact O-CB 3.45Å; S27-I31 WeakPolarHBondContact O-CG1 3.23Å; S27-I31 PolarHBondContact O-N 3.14Å; V28-I31 PolarHBondContact O-N 3.38Å; I31-G33 PolarHBondContact O-N 3.37Å; I31-N34 PolarHBondContact O-N 3.32Å; I31-L35 HydrophobicContact CG2-CD1 3.72Å; I31-L35 HydrophobicContact CG2-CG 4.37Å; I31-L35 VanDerWaalsContact O-CB 3.27Å; I31-L35 WeakPolarHBondContact O-CB 3.43Å; I31-L35 WeakPolarHBondContact O-CG 3.25Å; I31-L35 PolarHBondContact O-N 3.45Å; I31-L64 HydrophobicContact CB-CD1 4.12Å; I31-L64 HydrophobicContact CG1-CD1 4.22Å; I31-L64 HydrophobicContact CG2-CD1 3.84Å; I31-M68 HydrophobicContact CD1-CG 3.89Å; I31-M68 HydrophobicContact CG1-CG 4Å
32L96.5Very high96Very high111 Ų11149 Ų4958%0.58125%0.247SC*.Hα-helixtrans-63.9-42.6-176.9-67.9-179.9000112V28 L36V28-L32 HydrophobicContact CG1-CD1 3.62Å; V28-L32 HydrophobicContact CG1-CG 4.09Å; V28-L32 WeakPolarHBondContact O-CB 3.43Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.37Å; V28-L32 PolarHBondContact O-N 3.47Å; L32-L36 WeakPolarHBondContact O-CB 3.18Å; L32-L36 PolarHBondContact O-N 3.37Å
33G96.1Very high95.8Very high13 Ų1347 Ų4713%0.13424%0.237CC..Hα-helixtrans-65.3-44.6-179.700000112.4E29 I31 L36 V37 P554E29-G33 PolarHBondContact O-N 2.71Å; I31-G33 PolarHBondContact O-N 3.37Å; G33-L36 WeakPolarHBondContact O-CB 3.3Å; G33-L36 PolarHBondContact O-N 3.01Å; G33-V37 WeakPolarHBondContact O-CG2 3.47Å; G33-V37 PolarHBondContact O-N 3.27Å; G33-V37 VanDerWaalsContact O-N 3.14Å; G33-P554 WeakPolarHBondContact O-CG 3.48Å
34N96.8Very high95.7Very high0 Ų047.2 Ų47.20%024%0.238CC..Hα-helixtrans-75.8-33179.5-71.8-62.5000112.4T30 I31 L36 V37 L38 A60 L64 S550T30-N34 VanDerWaalsContact O-CB 3.31Å; T30-N34 WeakPolarHBondContact O-CB 3.4Å; T30-N34 PolarHBondContact O-N 2.84Å; T30-N34 PolarHBondContact O-ND2 3.04Å; I31-N34 PolarHBondContact O-N 3.32Å; N34-L36 VanDerWaalsContact C-N 3.29Å; N34-L36 PolarHBondContact O-N 3.23Å; N34-V37 WeakPolarHBondContact O-CB 3.46Å; N34-V37 PolarHBondContact O-N 3.26Å; N34-L38 WeakPolarHBondContact O-CG 3.18Å; N34-L38 PolarHBondContact O-N 3.36Å; N34-L38 VanDerWaalsContact O-N 3.08Å; N34-A60 HydrophobicContact CB-CB 4.33Å; N34-L64 HydrophobicContact CB-CB 4.29Å; N34-S550 PolarHBondContact ND2-O 3.33Å
35L96.6Very high95.3Very high72 Ų7249.1 Ų49.138%0.37724%0.238SC..Hα-helixtrans-58.2-42.4166.5-76.2173.6000111.5I31 V37 L38 V39 L64I31-L35 HydrophobicContact CG2-CD1 3.72Å; I31-L35 HydrophobicContact CG2-CG 4.37Å; I31-L35 VanDerWaalsContact O-CB 3.27Å; I31-L35 WeakPolarHBondContact O-CB 3.43Å; I31-L35 WeakPolarHBondContact O-CG 3.25Å; I31-L35 PolarHBondContact O-N 3.45Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 2.95Å; L35-L38 PolarHBondContact O-N 3.45Å; L35-L38 VanDerWaalsContact O-N 3.17Å; L35-V39 WeakPolarHBondContact O-CB 3.3Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.44Å; L35-V39 PolarHBondContact O-N 2.96Å; L35-L64 HydrophobicContact CD1-CD1 4.47Å; L35-L64 HydrophobicContact CD2-CD1 4.12Å; L35-L64 HydrophobicContact CD2-CD2 3.82Å; L35-L64 HydrophobicContact CG-CD1 3.8Å; L35-L64 HydrophobicContact CG-CD2 4.39Å
36L95.4Very high95Very high34 Ų3447.4 Ų47.418%0.17823%0.232CC..Hα-helixtrans-62.2-37.4177-177.862.3000112.1L32 G33 N34 A40 F568 V571L32-L36 WeakPolarHBondContact O-CB 3.18Å; L32-L36 PolarHBondContact O-N 3.37Å; G33-L36 WeakPolarHBondContact O-CB 3.3Å; G33-L36 PolarHBondContact O-N 3.01Å; N34-L36 VanDerWaalsContact C-N 3.29Å; N34-L36 PolarHBondContact O-N 3.23Å; L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.47Å; L36-F568 HydrophobicContact CD1-CD1 4.08Å; L36-F568 HydrophobicContact CD2-CB 4.08Å; L36-F568 HydrophobicContact CD2-CD1 3.89Å; L36-F568 HydrophobicContact CD2-CD2 3.92Å; L36-F568 HydrophobicContact CD2-CE1 4.25Å; L36-F568 HydrophobicContact CD2-CE2 4.28Å; L36-F568 HydrophobicContact CD2-CG 3.72Å; L36-F568 HydrophobicContact CD2-CZ 4.43Å; L36-F568 HydrophobicContact CG-CD1 3.56Å; L36-F568 HydrophobicContact CG-CD2 4.45Å; L36-F568 HydrophobicContact CG-CE1 3.75Å; L36-F568 HydrophobicContact CG-CG 3.95Å; L36-F568 HydrophobicContact CG-CZ 4.28Å; L36-V571 HydrophobicContact CD1-CB 3.69Å; L36-V571 HydrophobicContact CD1-CG1 3.41Å; L36-V571 VanDerWaalsContact CD1-CG1 3.41Å; L36-V571 HydrophobicContact CD1-CG2 4.2Å
37V95.5Very high94.7Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-60.5-47.3172.4175.60000110.9G33 N34 L35 A40 Y41 I56 A60 P554 Y557 F564 F568G33-V37 WeakPolarHBondContact O-CG2 3.47Å; G33-V37 PolarHBondContact O-N 3.27Å; G33-V37 VanDerWaalsContact O-N 3.14Å; N34-V37 WeakPolarHBondContact O-CB 3.46Å; N34-V37 PolarHBondContact O-N 3.26Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 2.95Å; V37-A40 PolarHBondContact O-N 3.48Å; V37-Y41 PolarHBondContact O-N 3.29Å; V37-I56 HydrophobicContact CG1-CG2 3.86Å; V37-A60 HydrophobicContact CB-CB 4.03Å; V37-A60 HydrophobicContact CG1-CB 3.76Å; V37-P554 HydrophobicContact CG2-CB 4.41Å; V37-P554 HydrophobicContact CG2-CG 4.37Å; V37-Y557 HydrophobicContact CG1-CD2 4.48Å; V37-Y557 HydrophobicContact CG2-CD2 3.82Å; V37-Y557 HydrophobicContact CG2-CE2 4.33Å; V37-F564 HydrophobicContact CG1-CE1 3.9Å; V37-F564 HydrophobicContact CG1-CZ 4.37Å; V37-F568 HydrophobicContact CG2-CE1 4.39Å; V37-F568 HydrophobicContact CG2-CZ 3.81Å
38L96.1Very high94.4Very high35 Ų3546.9 Ų46.918%0.18323%0.226CC..Hα-helixtrans-64.9-44.8179.9-63.8175.7000111.9N34 L35 Y41 R42 V57 A60 V61 L64N34-L38 WeakPolarHBondContact O-CG 3.18Å; N34-L38 PolarHBondContact O-N 3.36Å; N34-L38 VanDerWaalsContact O-N 3.08Å; L35-L38 PolarHBondContact O-N 3.45Å; L35-L38 VanDerWaalsContact O-N 3.17Å; L38-Y41 WeakPolarHBondContact O-CB 3.44Å; L38-Y41 PolarHBondContact O-N 3.01Å; L38-R42 WeakPolarHBondContact O-CG 3.41Å; L38-R42 PolarHBondContact O-N 3.18Å; L38-V57 HydrophobicContact CD2-CB 4.47Å; L38-V57 HydrophobicContact CD2-CG1 3.84Å; L38-A60 HydrophobicContact CD2-CB 3.96Å; L38-A60 HydrophobicContact CG-CB 4.18Å; L38-V61 HydrophobicContact CD1-CG2 4.32Å; L38-V61 HydrophobicContact CD2-CG2 3.95Å; L38-L64 HydrophobicContact CD1-CD2 4.04Å
39V95.5Very high94Very high56 Ų5649 Ų4934%0.33923%0.233SC..Hα-helixtrans-62.2-451761710000110.6L35 Y41 R42 I43 V571 L576L35-V39 WeakPolarHBondContact O-CB 3.3Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.44Å; L35-V39 PolarHBondContact O-N 2.96Å; V39-Y41 VanDerWaalsContact C-N 3.33Å; V39-Y41 PolarHBondContact O-N 3.37Å; V39-R42 PolarHBondContact O-N 2.92Å; V39-R42 VanDerWaalsContact O-N 3.14Å; V39-I43 HydrophobicContact CG1-CD1 3.47Å; V39-I43 VanDerWaalsContact CG1-CD1 3.47Å; V39-I43 HydrophobicContact CG1-CG1 4.37Å; V39-I43 WeakPolarHBondContact O-CG1 3.48Å; V39-I43 PolarHBondContact O-N 3.27Å; V39-V571 HydrophobicContact CG1-CG1 4.13Å; V39-V571 HydrophobicContact CG1-CG2 3.79Å; V39-L576 HydrophobicContact CG1-CD2 4.14Å
40A94.5Very high93.6Very high0 Ų049.2 Ų49.20%023%0.234CC..Hα-helixtrans-59.2-42.1176.100000112.5L36 V37 E44 F564 A567 F568L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.47Å; V37-A40 PolarHBondContact O-N 3.48Å; A40-E44 VanDerWaalsContact O-CB 3.29Å; A40-E44 WeakPolarHBondContact O-CB 3.3Å; A40-E44 PolarHBondContact O-N 3.44Å; A40-F564 HydrophobicContact CB-CD1 3.93Å; A40-F564 HydrophobicContact CB-CE1 4.21Å; A40-A567 HydrophobicContact CB-CB 3.58Å; A40-F568 HydrophobicContact CB-CD1 3.78Å; A40-F568 HydrophobicContact CB-CE1 3.65Å
41Y94.3Very high93.2Very high30 Ų3051.2 Ų51.212%0.11825%0.245CC..Hα-helixtrans-60.6-45174.2172.5-93.6000111.5V37 L38 V39 I43 I47 R48 H54 V57V37-Y41 PolarHBondContact O-N 3.29Å; L38-Y41 WeakPolarHBondContact O-CB 3.44Å; L38-Y41 PolarHBondContact O-N 3.01Å; V39-Y41 VanDerWaalsContact C-N 3.33Å; V39-Y41 PolarHBondContact O-N 3.37Å; Y41-I43 PolarHBondContact O-N 2.89Å; Y41-I47 HydrophobicContact CD2-CG2 3.96Å; Y41-R48 HydrophobicContact CD1-CG 4.07Å; Y41-R48 HydrophobicContact CD2-CG 4.04Å; Y41-R48 HydrophobicContact CE1-CG 3.68Å; Y41-R48 HydrophobicContact CE2-CB 4.42Å; Y41-R48 HydrophobicContact CE2-CG 3.67Å; Y41-R48 HydrophobicContact CG-CG 4.22Å; Y41-R48 VanDerWaalsContact CZ-CG 3.48Å; Y41-R48 WeakPolarHBondContact O-CD 3.49Å; Y41-R48 VanDerWaalsContact O-CG 3.26Å; Y41-R48 WeakPolarHBondContact O-CG 3.45Å; Y41-H54 PolarHBondContact OH-NE2 2.79Å; Y41-H54 VanDerWaalsContact OH-NE2 3.17Å; Y41-V57 HydrophobicContact CD1-CG2 3.75Å; Y41-V57 HydrophobicContact CD2-CG2 3.46Å; Y41-V57 VanDerWaalsContact CD2-CG2 3.46Å; Y41-V57 HydrophobicContact CE1-CG2 4.05Å; Y41-V57 HydrophobicContact CE2-CG2 3.78Å; Y41-V57 HydrophobicContact CG-CG2 3.45Å; Y41-V57 VanDerWaalsContact CG-CG2 3.45Å
42R93.6Very high92.7Very high172 Ų17249.9 Ų49.965%0.64924%0.238SC*.Hα-helixtrans-64.3-41.4-179.2-68-69.2-177.1164.8-0.6112.7L38 V39 R48 R578L38-R42 WeakPolarHBondContact O-CG 3.41Å; L38-R42 PolarHBondContact O-N 3.18Å; V39-R42 PolarHBondContact O-N 2.92Å; V39-R42 VanDerWaalsContact O-N 3.14Å; R42-R48 PolarHBondContact O-NE 2.96Å; R42-R578 PolarHBondContact O-NE 2.93Å
43I92.1Very high92.5Very high13 Ų1344.6 Ų44.67%0.06721%0.211CC..Hα-helixtrans-78.5-42.3-175.1-68.6168.9000112.4V39 Y41 R45 V571 L576 R577 T579V39-I43 HydrophobicContact CG1-CD1 3.47Å; V39-I43 VanDerWaalsContact CG1-CD1 3.47Å; V39-I43 HydrophobicContact CG1-CG1 4.37Å; V39-I43 WeakPolarHBondContact O-CG1 3.48Å; V39-I43 PolarHBondContact O-N 3.27Å; Y41-I43 PolarHBondContact O-N 2.89Å; I43-R45 PolarHBondContact O-N 3.12Å; I43-V571 HydrophobicContact CD1-CG2 3.76Å; I43-L576 HydrophobicContact CD1-CB 4.25Å; I43-L576 HydrophobicContact CD1-CD2 3.65Å; I43-R577 WeakPolarHBondContact CG2-O 3.01Å; I43-T579 PolarHBondContact O-N 3.02Å; I43-T579 PolarHBondContact O-OG1 3.17Å; I43-T579 VanDerWaalsContact O-OG1 3.12Å
44E91.8Very high92.4Very high11 Ų1145.6 Ų45.65%0.05121%0.212CC..  trans-94105.4-169.9179.956.8-114.300111.9A40 T46 I47 R48 A567 R570A40-E44 VanDerWaalsContact O-CB 3.29Å; A40-E44 WeakPolarHBondContact O-CB 3.3Å; A40-E44 PolarHBondContact O-N 3.44Å; E44-T46 WeakPolarHBondContact CG-OG1 3.35Å; E44-T46 PolarHBondContact O-N 3.02Å; E44-T46 VanDerWaalsContact OE1-CB 3.31Å; E44-T46 WeakPolarHBondContact OE1-CB 3.35Å; E44-T46 WeakPolarHBondContact OE1-CG2 3.46Å; E44-T46 PolarHBondContact OE1-N 3.03Å; E44-T46 PolarHBondContact OE1-OG1 3.4Å; E44-I47 HydrophobicContact CB-CB 4.29Å; E44-I47 HydrophobicContact CB-CD1 3.8Å; E44-I47 HydrophobicContact CB-CG1 4.01Å; E44-I47 HydrophobicContact CG-CB 4.17Å; E44-I47 HydrophobicContact CG-CD1 3.76Å; E44-I47 HydrophobicContact CG-CG1 3.59Å; E44-I47 PolarHBondContact O-N 3.2Å; E44-I47 VanDerWaalsContact O-N 3.08Å; E44-R48 PolarHBondContact O-N 2.85Å; E44-R48 VanDerWaalsContact O-N 3.11Å; E44-A567 HydrophobicContact CB-CB 4.16Å; E44-R570 IonicContact OE2-CZ 3.71Å; E44-R570 IonicContact OE2-NH1 3.85Å; E44-R570 PolarHBondContact OE2-NH1 3.36Å; E44-R570 IonicContact OE2-NH2 2.76Å; E44-R570 PolarHBondContact OE2-NH2 2.84Å
45R90.5Very high92.3Very high140 Ų14045.7 Ų45.753%0.52821%0.212SC..Hα-helixtrans-56.1-35.1174.8174.6175.4-170.61794.4113.1I43 I47 R48 M49 T579I43-R45 PolarHBondContact O-N 3.12Å; R45-I47 PolarHBondContact O-N 2.95Å; R45-R48 PolarHBondContact O-N 3Å; R45-M49 HydrophobicContact CG-CE 3.96Å; R45-M49 HydrophobicContact CG-CG 3.83Å; R45-M49 WeakPolarHBondContact O-CB 3.4Å; R45-M49 WeakPolarHBondContact O-CG 3.4Å; R45-M49 PolarHBondContact O-N 3.3Å; R45-T579 WeakPolarHBondContact CB-O 3.04Å; R45-T579 WeakPolarHBondContact CB-OXT 3.4Å; R45-T579 PolarHBondContact N-O 3.01Å
46T89.4Confident92.1Very high65 Ų6542.9 Ų42.940%0.39920%0.198SC..Hα-helixtrans-67-24.518062.20000113.7E44E44-T46 WeakPolarHBondContact CG-OG1 3.35Å; E44-T46 PolarHBondContact O-N 3.02Å; E44-T46 VanDerWaalsContact OE1-CB 3.31Å; E44-T46 WeakPolarHBondContact OE1-CB 3.35Å; E44-T46 WeakPolarHBondContact OE1-CG2 3.46Å; E44-T46 PolarHBondContact OE1-N 3.03Å; E44-T46 PolarHBondContact OE1-OG1 3.4Å
47I90Very high92.2Very high1 Ų142.8 Ų42.81%0.00520%0.198CC..Hα-helixtrans-79.5-52.8172.5-62.9173.8000108.8Y41 E44 R45 M49 Q50 S53 A563 F564 A567Y41-I47 HydrophobicContact CD2-CG2 3.96Å; E44-I47 HydrophobicContact CB-CB 4.29Å; E44-I47 HydrophobicContact CB-CD1 3.8Å; E44-I47 HydrophobicContact CB-CG1 4.01Å; E44-I47 HydrophobicContact CG-CB 4.17Å; E44-I47 HydrophobicContact CG-CD1 3.76Å; E44-I47 HydrophobicContact CG-CG1 3.59Å; E44-I47 PolarHBondContact O-N 3.2Å; E44-I47 VanDerWaalsContact O-N 3.08Å; R45-I47 PolarHBondContact O-N 2.95Å; I47-M49 PolarHBondContact O-N 3.43Å; I47-M49 VanDerWaalsContact O-N 3.1Å; I47-Q50 WeakPolarHBondContact O-CB 3.49Å; I47-Q50 PolarHBondContact O-N 3.24Å; I47-S53 WeakPolarHBondContact CG2-OG 3.08Å; I47-S53 WeakPolarHBondContact O-CB 2.96Å; I47-S53 PolarHBondContact O-OG 2.9Å; I47-S53 VanDerWaalsContact O-OG 3.06Å; I47-A563 HydrophobicContact CD1-CB 4.12Å; I47-A563 HydrophobicContact CG1-CB 3.63Å; I47-F564 HydrophobicContact CD1-CD1 3.74Å; I47-F564 HydrophobicContact CD1-CD2 4.2Å; I47-F564 HydrophobicContact CD1-CE1 3.88Å; I47-F564 HydrophobicContact CD1-CE2 4.32Å; I47-F564 HydrophobicContact CD1-CG 3.91Å; I47-F564 HydrophobicContact CD1-CZ 4.17Å; I47-F564 HydrophobicContact CG2-CE1 4.11Å; I47-F564 HydrophobicContact CG2-CE2 3.97Å; I47-F564 HydrophobicContact CG2-CZ 3.58Å; I47-A567 HydrophobicContact CD1-CB 4.19Å
48R91.1Very high92.2Very high60 Ų6043.1 Ų43.123%0.22620%0.2CC..Hα-helixtrans-54.4-33.4-179.7-106.7-178.6-35.4118.53.4114.9Y41 R42 E44 R45 Q50 R578Y41-R48 HydrophobicContact CD1-CG 4.07Å; Y41-R48 HydrophobicContact CD2-CG 4.04Å; Y41-R48 HydrophobicContact CE1-CG 3.68Å; Y41-R48 HydrophobicContact CE2-CB 4.42Å; Y41-R48 HydrophobicContact CE2-CG 3.67Å; Y41-R48 HydrophobicContact CG-CG 4.22Å; Y41-R48 VanDerWaalsContact CZ-CG 3.48Å; Y41-R48 WeakPolarHBondContact O-CD 3.49Å; Y41-R48 VanDerWaalsContact O-CG 3.26Å; Y41-R48 WeakPolarHBondContact O-CG 3.45Å; R42-R48 PolarHBondContact O-NE 2.96Å; E44-R48 PolarHBondContact O-N 2.85Å; E44-R48 VanDerWaalsContact O-N 3.11Å; R45-R48 PolarHBondContact O-N 3Å; R48-Q50 PolarHBondContact O-N 3.47Å; R48-R578 VanDerWaalsContact CZ-NH2 3.33Å
49M87.4Confident92.2Very high114 Ų11441.4 Ų41.456%0.56219%0.192SC*.THydrogen-bonded Turntrans-74.1-13.7-179.6-67.7-72.7145.500113.3R45 I47R45-M49 HydrophobicContact CG-CE 3.96Å; R45-M49 HydrophobicContact CG-CG 3.83Å; R45-M49 WeakPolarHBondContact O-CB 3.4Å; R45-M49 WeakPolarHBondContact O-CG 3.4Å; R45-M49 PolarHBondContact O-N 3.3Å; I47-M49 PolarHBondContact O-N 3.43Å; I47-M49 VanDerWaalsContact O-N 3.1Å
50Q87.3Confident92.3Very high67 Ų6738.8 Ų38.831%0.31318%0.176SC..  trans-86.9119.9176.6-65.2177.20.400109.6I47 R48 S52 S53I47-Q50 WeakPolarHBondContact O-CB 3.49Å; I47-Q50 PolarHBondContact O-N 3.24Å; R48-Q50 PolarHBondContact O-N 3.47Å; Q50-S52 PolarHBondContact O-N 2.86Å; Q50-S53 VanDerWaalsContact O-CB 3.27Å; Q50-S53 WeakPolarHBondContact O-CB 3.16Å; Q50-S53 PolarHBondContact O-N 2.87Å
51L89.8Confident92.4Very high43 Ų4341.2 Ų41.223%0.22519%0.191CC..THydrogen-bonded Turntrans-57.5-39.2179.6-93.366.5000111.9S53 H54 Q130 S131 V135L51-S53 PolarHBondContact O-N 3.06Å; L51-H54 PolarHBondContact O-N 3.39Å; L51-H54 VanDerWaalsContact O-N 3.09Å; L51-H54 PolarHBondContact O-ND1 2.97Å; L51-Q130 HydrophobicContact CB-CG 4.45Å; L51-Q130 HydrophobicContact CD2-CB 4.21Å; L51-Q130 HydrophobicContact CD2-CG 3.54Å; L51-S131 VanDerWaalsContact CD2-C 3.44Å; L51-V135 HydrophobicContact CB-CG2 4.28Å; L51-V135 HydrophobicContact CD2-CG2 4.14Å; L51-V135 HydrophobicContact CG-CG2 4.47Å
52S87.2Confident92.6Very high10 Ų1039.8 Ų39.87%0.0719%0.185CC..THydrogen-bonded Turntrans-58.4-17.9176.163.40000114.5Q50 H54 F55 D115 R116Q50-S52 PolarHBondContact O-N 2.86Å; S52-H54 VanDerWaalsContact C-N 3.26Å; S52-H54 PolarHBondContact O-N 3.03Å; S52-F55 PolarHBondContact O-N 2.96Å; S52-D115 WeakPolarHBondContact CB-OD2 3.37Å; S52-R116 PolarHBondContact OG-NH2 3.22Å
53S91.4Very high92.7Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-72-17.7177.6-67.20000113.3I47 Q50 L51 F55 I56 V57I47-S53 WeakPolarHBondContact CG2-OG 3.08Å; I47-S53 WeakPolarHBondContact O-CB 2.96Å; I47-S53 PolarHBondContact O-OG 2.9Å; I47-S53 VanDerWaalsContact O-OG 3.06Å; Q50-S53 VanDerWaalsContact O-CB 3.27Å; Q50-S53 WeakPolarHBondContact O-CB 3.16Å; Q50-S53 PolarHBondContact O-N 2.87Å; L51-S53 PolarHBondContact O-N 3.06Å; S53-F55 VanDerWaalsContact C-N 3.35Å; S53-I56 PolarHBondContact O-N 3.1Å; S53-V57 WeakPolarHBondContact O-CG2 3.4Å; S53-V57 PolarHBondContact O-N 3.04Å
54H94.1Very high93Very high34 Ų3432 Ų3216%0.15716%0.156CC..Hα-helixtrans-67.2-36174.2-66.582.7000112Y41 L51 S52 V57 S58 L132 V135Y41-H54 PolarHBondContact OH-NE2 2.79Å; Y41-H54 VanDerWaalsContact OH-NE2 3.17Å; L51-H54 PolarHBondContact O-N 3.39Å; L51-H54 VanDerWaalsContact O-N 3.09Å; L51-H54 PolarHBondContact O-ND1 2.97Å; S52-H54 VanDerWaalsContact C-N 3.26Å; S52-H54 PolarHBondContact O-N 3.03Å; H54-V57 PolarHBondContact O-N 2.97Å; H54-S58 PolarHBondContact O-N 3.37Å; H54-L132 WeakPolarHBondContact CE1-CD1 3.48Å; H54-L132 WeakPolarHBondContact NE2-CD1 3.21Å; H54-V135 HydrophobicContact CB-CG1 3.78Å
55F94.9Very high93.3Very high3 Ų333.4 Ų33.41%0.01316%0.164CC..Hα-helixtrans-65.9-39.6172.6-57.3-57.2000111.8S52 S53 V57 S58 L59 T108 L111 I112 D115 V135 L138 V139S52-F55 PolarHBondContact O-N 2.96Å; S53-F55 VanDerWaalsContact C-N 3.35Å; F55-V57 VanDerWaalsContact C-N 3.32Å; F55-V57 PolarHBondContact O-N 3.33Å; F55-S58 WeakPolarHBondContact O-CB 3.29Å; F55-S58 PolarHBondContact O-N 3.21Å; F55-L59 PolarHBondContact O-N 2.98Å; F55-T108 HydrophobicContact CB-CG2 4.18Å; F55-T108 WeakPolarHBondContact O-CG2 3.45Å; F55-L111 HydrophobicContact CD1-CB 3.91Å; F55-L111 HydrophobicContact CD1-CD1 4.24Å; F55-L111 HydrophobicContact CE1-CB 3.79Å; F55-L111 HydrophobicContact CE1-CD1 3.93Å; F55-L111 HydrophobicContact CE1-CG 4.34Å; F55-L111 HydrophobicContact CG-CB 4.47Å; F55-L111 HydrophobicContact CZ-CB 4.23Å; F55-I112 HydrophobicContact CB-CD1 4.19Å; F55-I112 HydrophobicContact CB-CG1 3.56Å; F55-I112 HydrophobicContact CG-CG1 4.33Å; F55-D115 HydrophobicContact CD2-CB 4.42Å; F55-D115 HydrophobicContact CE2-CB 4.01Å; F55-V135 HydrophobicContact CE1-CG1 4.13Å; F55-V135 HydrophobicContact CE2-CG1 4.11Å; F55-V135 HydrophobicContact CZ-CG1 3.82Å; F55-V135 HydrophobicContact CZ-CG2 4.48Å; F55-L138 HydrophobicContact CE1-CB 4.23Å; F55-L138 HydrophobicContact CZ-CD1 4.3Å; F55-V139 HydrophobicContact CD1-CG2 3.64Å; F55-V139 HydrophobicContact CE1-CG2 3.82Å
56I93.3Very high93.6Very high13 Ų1326.8 Ų26.87%0.06714%0.139CC..Hα-helixtrans-63.4-39.5175.6-64173.4000111.2V37 S53 L59 A60 Y557 F564V37-I56 HydrophobicContact CG1-CG2 3.86Å; S53-I56 PolarHBondContact O-N 3.1Å; I56-L59 PolarHBondContact O-N 2.86Å; I56-A60 WeakPolarHBondContact O-CB 3.39Å; I56-A60 PolarHBondContact O-N 2.74Å; I56-Y557 HydrophobicContact CD1-CE1 4.02Å; I56-Y557 HydrophobicContact CG1-CE1 4.02Å; I56-Y557 HydrophobicContact CG2-CD2 4.43Å; I56-Y557 HydrophobicContact CG2-CE1 3.95Å; I56-Y557 HydrophobicContact CG2-CE2 3.83Å; I56-F564 HydrophobicContact CD1-CE2 3.89Å; I56-F564 HydrophobicContact CD1-CZ 4.4Å; I56-F564 HydrophobicContact CG2-CE2 4.19Å; I56-F564 HydrophobicContact CG2-CZ 3.77Å
57V95.5Very high93.9Very high32 Ų3223.7 Ų23.719%0.19412%0.12CC..Hα-helixtrans-65.5-43.6174.6169.50000111L38 Y41 S53 H54 F55 L59 A60 V61L38-V57 HydrophobicContact CD2-CB 4.47Å; L38-V57 HydrophobicContact CD2-CG1 3.84Å; Y41-V57 HydrophobicContact CD1-CG2 3.75Å; Y41-V57 HydrophobicContact CD2-CG2 3.46Å; Y41-V57 VanDerWaalsContact CD2-CG2 3.46Å; Y41-V57 HydrophobicContact CE1-CG2 4.05Å; Y41-V57 HydrophobicContact CE2-CG2 3.78Å; Y41-V57 HydrophobicContact CG-CG2 3.45Å; Y41-V57 VanDerWaalsContact CG-CG2 3.45Å; S53-V57 WeakPolarHBondContact O-CG2 3.4Å; S53-V57 PolarHBondContact O-N 3.04Å; H54-V57 PolarHBondContact O-N 2.97Å; F55-V57 VanDerWaalsContact C-N 3.32Å; F55-V57 PolarHBondContact O-N 3.33Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.15Å; V57-A60 PolarHBondContact O-N 2.93Å; V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CG2 3.48Å; V57-V61 PolarHBondContact O-N 2.82Å
58S97Very high94.3Very high6 Ų628.5 Ų28.54%0.04214%0.144CC..Hα-helixtrans-55.6-48.5175.4-1740000111.4H54 F55 V61 S62 T108 W143H54-S58 PolarHBondContact O-N 3.37Å; F55-S58 WeakPolarHBondContact O-CB 3.29Å; F55-S58 PolarHBondContact O-N 3.21Å; S58-V61 PolarHBondContact O-N 3.07Å; S58-S62 PolarHBondContact O-N 3.33Å; S58-S62 PolarHBondContact O-OG 2.97Å; S58-T108 PolarHBondContact OG-OG1 3.41Å; S58-W143 PolarHBondContact OG-NE1 3.3Å
59L95.4Very high94.4Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-61.7-45.3178.1-166.564.7000111.7F55 I56 V57 V61 S62 D63 T108 V109 I112 N553 Y557F55-L59 PolarHBondContact O-N 2.98Å; I56-L59 PolarHBondContact O-N 2.86Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.15Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 2.76Å; L59-S62 PolarHBondContact O-N 3.28Å; L59-S62 PolarHBondContact O-OG 3.16Å; L59-D63 VanDerWaalsContact O-CB 3.29Å; L59-D63 WeakPolarHBondContact O-CB 3.49Å; L59-D63 PolarHBondContact O-N 3.21Å; L59-T108 HydrophobicContact CB-CG2 3.85Å; L59-T108 HydrophobicContact CD1-CG2 4.37Å; L59-V109 HydrophobicContact CD1-CG2 4.21Å; L59-V109 HydrophobicContact CD2-CG2 4.26Å; L59-I112 HydrophobicContact CD2-CD1 4.49Å; L59-N553 WeakPolarHBondContact CD2-ND2 3.47Å; L59-Y557 WeakPolarHBondContact CD2-OH 3.18Å
60A96.9Very high94.8Very high1 Ų121.4 Ų21.41%0.00811%0.112CC..Hα-helixtrans-64.5-30.6177.800000113.1N34 V37 L38 I56 V57 L64N34-A60 HydrophobicContact CB-CB 4.33Å; V37-A60 HydrophobicContact CB-CB 4.03Å; V37-A60 HydrophobicContact CG1-CB 3.76Å; L38-A60 HydrophobicContact CD2-CB 3.96Å; L38-A60 HydrophobicContact CG-CB 4.18Å; I56-A60 WeakPolarHBondContact O-CB 3.39Å; I56-A60 PolarHBondContact O-N 2.74Å; V57-A60 PolarHBondContact O-N 2.93Å; A60-L64 WeakPolarHBondContact O-CB 3.35Å; A60-L64 PolarHBondContact O-N 2.92Å
61V97.7Very high95.2Very high51 Ų5118.3 Ų18.331%0.30910%0.097SC..Hα-helixtrans-72-45.8175.2172.40000110.9L38 V57 S58 L59 L64 I65 W143L38-V61 HydrophobicContact CD1-CG2 4.32Å; L38-V61 HydrophobicContact CD2-CG2 3.95Å; V57-V61 HydrophobicContact CG1-CG2 4.4Å; V57-V61 WeakPolarHBondContact O-CG2 3.48Å; V57-V61 PolarHBondContact O-N 2.82Å; S58-V61 PolarHBondContact O-N 3.07Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 2.76Å; V61-L64 PolarHBondContact O-N 3Å; V61-I65 HydrophobicContact CG1-CD1 4.21Å; V61-I65 WeakPolarHBondContact O-CG1 3.44Å; V61-I65 PolarHBondContact O-N 2.92Å; V61-W143 HydrophobicContact CB-CZ2 4.3Å; V61-W143 HydrophobicContact CG1-CH2 3.94Å; V61-W143 HydrophobicContact CG1-CZ2 3.98Å
62S97.5Very high95.5Very high0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-63.4-45.1177.853.40000111.5S58 L59 L64 I65 I66 S105S58-S62 PolarHBondContact O-N 3.33Å; S58-S62 PolarHBondContact O-OG 2.97Å; L59-S62 PolarHBondContact O-N 3.28Å; L59-S62 PolarHBondContact O-OG 3.16Å; S62-L64 VanDerWaalsContact C-N 3.33Å; S62-L64 PolarHBondContact O-N 3.19Å; S62-I65 PolarHBondContact O-N 3.34Å; S62-I65 VanDerWaalsContact O-N 3.14Å; S62-I66 WeakPolarHBondContact O-CG1 3.38Å; S62-I66 PolarHBondContact O-N 3.08Å; S62-S105 PolarHBondContact OG-OG 3.11Å
63D96.9Very high95.9Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-64.7-35.4178.8-66.3-10000112.7T30 L59 I65 I66 G67 S105 S550 N553T30-D63 VanDerWaalsContact CG2-O 3.22Å; T30-D63 WeakPolarHBondContact CG2-O 3.45Å; L59-D63 VanDerWaalsContact O-CB 3.29Å; L59-D63 WeakPolarHBondContact O-CB 3.49Å; L59-D63 PolarHBondContact O-N 3.21Å; D63-I65 VanDerWaalsContact C-N 3.33Å; D63-I66 PolarHBondContact O-N 3.36Å; D63-G67 PolarHBondContact O-N 2.86Å; D63-S105 PolarHBondContact OD1-OG 2.9Å; D63-S550 PolarHBondContact OD1-OG 3.4Å; D63-N553 PolarHBondContact OD2-ND2 3.17Å
64L97.5Very high96.1Very high22 Ų2219.5 Ų19.512%0.11511%0.105CC..Hα-helixtrans-61.9-42.4173.617864.7000111.2I31 N34 L35 L38 A60 V61 S62 G67 M68I31-L64 HydrophobicContact CB-CD1 4.12Å; I31-L64 HydrophobicContact CG1-CD1 4.22Å; I31-L64 HydrophobicContact CG2-CD1 3.84Å; N34-L64 HydrophobicContact CB-CB 4.29Å; L35-L64 HydrophobicContact CD1-CD1 4.47Å; L35-L64 HydrophobicContact CD2-CD1 4.12Å; L35-L64 HydrophobicContact CD2-CD2 3.82Å; L35-L64 HydrophobicContact CG-CD1 3.8Å; L35-L64 HydrophobicContact CG-CD2 4.39Å; L38-L64 HydrophobicContact CD1-CD2 4.04Å; A60-L64 WeakPolarHBondContact O-CB 3.35Å; A60-L64 PolarHBondContact O-N 2.92Å; V61-L64 PolarHBondContact O-N 3Å; S62-L64 VanDerWaalsContact C-N 3.33Å; S62-L64 PolarHBondContact O-N 3.19Å; L64-G67 PolarHBondContact O-N 3.45Å; L64-M68 HydrophobicContact CG-CE 4.16Å; L64-M68 WeakPolarHBondContact O-CG 3.35Å; L64-M68 PolarHBondContact O-N 2.69Å; L64-M68 VanDerWaalsContact O-N 3.08Å
65I97.6Very high96.1Very high40 Ų4017.9 Ų17.921%0.20510%0.097CC..Hα-helixtrans-67.6-45178.6-58.3164.6000110.1V61 S62 D63 G67 M68 E69 L97 L101 W143V61-I65 HydrophobicContact CG1-CD1 4.21Å; V61-I65 WeakPolarHBondContact O-CG1 3.44Å; V61-I65 PolarHBondContact O-N 2.92Å; S62-I65 PolarHBondContact O-N 3.34Å; S62-I65 VanDerWaalsContact O-N 3.14Å; D63-I65 VanDerWaalsContact C-N 3.33Å; I65-G67 PolarHBondContact O-N 3.14Å; I65-M68 HydrophobicContact CB-CE 4.32Å; I65-M68 HydrophobicContact CG1-CE 3.99Å; I65-M68 PolarHBondContact O-N 3.37Å; I65-E69 HydrophobicContact CG2-CG 4.02Å; I65-E69 WeakPolarHBondContact O-CG 3.34Å; I65-E69 PolarHBondContact O-N 3.1Å; I65-L97 HydrophobicContact CG2-CD1 4.47Å; I65-L97 HydrophobicContact CG2-CD2 4.13Å; I65-L97 HydrophobicContact CG2-CG 4.48Å; I65-L101 HydrophobicContact CB-CD1 3.76Å; I65-L101 HydrophobicContact CB-CD2 4.04Å; I65-L101 HydrophobicContact CD1-CD2 3.9Å; I65-L101 HydrophobicContact CG2-CD1 3.4Å; I65-L101 HydrophobicContact CG2-CD2 4.29Å; I65-L101 HydrophobicContact CG2-CG 4.47Å; I65-W143 HydrophobicContact CD1-CH2 4.17Å; I65-W143 HydrophobicContact CD1-CZ3 4.48Å
66I96.9Very high96.1Very high1 Ų120 Ų201%0.00511%0.109CC..Iπ-helixtrans-55.4-39.9172.5-66.8169.9000111.2S62 D63 M68 G70 F71 L101 Y547S62-I66 WeakPolarHBondContact O-CG1 3.38Å; S62-I66 PolarHBondContact O-N 3.08Å; D63-I66 PolarHBondContact O-N 3.36Å; I66-M68 VanDerWaalsContact C-N 3.35Å; I66-M68 PolarHBondContact O-N 2.77Å; I66-G70 VanDerWaalsContact O-CA 3.22Å; I66-G70 WeakPolarHBondContact O-CA 3.43Å; I66-G70 PolarHBondContact O-N 3.41Å; I66-F71 HydrophobicContact CG2-CE2 4.42Å; I66-F71 PolarHBondContact O-N 3.23Å; I66-L101 HydrophobicContact CD1-CB 4.09Å; I66-L101 HydrophobicContact CG1-CB 3.9Å; I66-L101 HydrophobicContact CG1-CD1 4.06Å; I66-Y547 HydrophobicContact CG2-CD1 3.79Å; I66-Y547 HydrophobicContact CG2-CD2 4.37Å; I66-Y547 HydrophobicContact CG2-CE1 4.05Å; I66-Y547 HydrophobicContact CG2-CG 3.95Å
67G97Very high96.1Very high0 Ų021.2 Ų21.20%011%0.113CC..Iπ-helixtrans-58.7-42.6173.600000113.5S27 D63 L64 I65S27-G67 WeakPolarHBondContact CB-O 3.46Å; S27-G67 PolarHBondContact OG-O 2.92Å; D63-G67 PolarHBondContact O-N 2.86Å; L64-G67 PolarHBondContact O-N 3.45Å; I65-G67 PolarHBondContact O-N 3.14Å
68M96.8Very high95.9Very high102 Ų10220.2 Ų20.250%0.50211%0.107SC..Iπ-helixtrans-78-44.8-175.2-70.4-175.9-6100113.7I31 L64 I65 I66I31-M68 HydrophobicContact CD1-CG 3.89Å; I31-M68 HydrophobicContact CG1-CG 4Å; L64-M68 HydrophobicContact CG-CE 4.16Å; L64-M68 WeakPolarHBondContact O-CG 3.35Å; L64-M68 PolarHBondContact O-N 2.69Å; L64-M68 VanDerWaalsContact O-N 3.08Å; I65-M68 HydrophobicContact CB-CE 4.32Å; I65-M68 HydrophobicContact CG1-CE 3.99Å; I65-M68 PolarHBondContact O-N 3.37Å; I66-M68 VanDerWaalsContact C-N 3.35Å; I66-M68 PolarHBondContact O-N 2.77Å
69E95.1Very high95.7Very high25 Ų2521.6 Ų21.612%0.11711%0.114CC..Iπ-helixtrans-110.5-40.9-175.964.475.3-167.700112.9I65 F71 P72 L73 W94 L97 L101I65-E69 HydrophobicContact CG2-CG 4.02Å; I65-E69 WeakPolarHBondContact O-CG 3.34Å; I65-E69 PolarHBondContact O-N 3.1Å; E69-F71 PolarHBondContact O-N 3.05Å; E69-P72 WeakPolarHBondContact O-CD 3.23Å; E69-L73 HydrophobicContact CB-CD1 4.06Å; E69-L73 VanDerWaalsContact O-CB 3.25Å; E69-L73 WeakPolarHBondContact O-CB 3.11Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.28Å; E69-L73 PolarHBondContact O-N 3.35Å; E69-W94 PolarHBondContact OE2-NE1 2.87Å; E69-L97 HydrophobicContact CG-CD2 3.84Å; E69-L101 WeakPolarHBondContact OE1-CD1 3.4Å
70G95.3Very high95.4Very high0 Ų023 Ų230%013%0.129CC..Iπ-helixtrans-60.3-56.5-169.500000111.8I66 L74 Y547I66-G70 VanDerWaalsContact O-CA 3.22Å; I66-G70 WeakPolarHBondContact O-CA 3.43Å; I66-G70 PolarHBondContact O-N 3.41Å; G70-L74 WeakPolarHBondContact O-CB 3.26Å; G70-L74 PolarHBondContact O-N 2.91Å; G70-Y547 WeakPolarHBondContact O-CE2 3.46Å
71F95.6Very high95Very high1 Ų127.2 Ų27.20%0.00415%0.145CC..Hα-helixtrans-58.3-56.3178.5-75.4-83.4000112.3T23 F26 T30 I66 E69 L73 L74 T75 Y544 Y547T23-F71 HydrophobicContact CG2-CB 3.95Å; F26-F71 HydrophobicContact CB-CD1 4.17Å; F26-F71 HydrophobicContact CB-CE1 3.68Å; F26-F71 HydrophobicContact CB-CZ 3.9Å; F26-F71 HydrophobicContact CG-CE1 4.46Å; T30-F71 HydrophobicContact CG2-CE2 4.46Å; I66-F71 HydrophobicContact CG2-CE2 4.42Å; I66-F71 PolarHBondContact O-N 3.23Å; E69-F71 PolarHBondContact O-N 3.05Å; F71-L73 PolarHBondContact O-N 3.48Å; F71-L74 PolarHBondContact O-N 3.23Å; F71-T75 PolarHBondContact O-N 2.98Å; F71-T75 PolarHBondContact O-OG1 3.22Å; F71-Y544 HydrophobicContact CD1-CD1 4.39Å; F71-Y547 HydrophobicContact CD1-CD2 4.07Å; F71-Y547 HydrophobicContact CD2-CD2 4.41Å; F71-Y547 HydrophobicContact CE1-CD2 4.24Å; F71-Y547 HydrophobicContact CG-CD2 4.17Å; F71-Y547 HydrophobicContact CZ-CG 4.49Å
72P95.8Very high94.3Very high40 Ų4028.6 Ų28.626%0.2615%0.148SC..Hα-helixtrans-59.8-42.2-179.3-26.736.4000114.8E69 T75 L76E69-P72 WeakPolarHBondContact O-CD 3.23Å; P72-T75 PolarHBondContact O-N 3.46Å; P72-L76 WeakPolarHBondContact O-CB 3.5Å; P72-L76 PolarHBondContact O-N 3.24Å
73L96Very high94Very high33 Ų3333 Ų3317%0.17317%0.168CC..Hα-helixtrans-73.9-36.7-177.3-67.4179.7000112E69 F71 T75 L76 Y77 W84 L86 W94E69-L73 HydrophobicContact CB-CD1 4.06Å; E69-L73 VanDerWaalsContact O-CB 3.25Å; E69-L73 WeakPolarHBondContact O-CB 3.11Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.28Å; E69-L73 PolarHBondContact O-N 3.35Å; F71-L73 PolarHBondContact O-N 3.48Å; L73-T75 VanDerWaalsContact C-N 3.34Å; L73-L76 HydrophobicContact CD2-CD2 4.42Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 3.41Å; L73-Y77 PolarHBondContact O-N 2.95Å; L73-W84 HydrophobicContact CB-CH2 4.18Å; L73-W84 HydrophobicContact CD2-CH2 4.01Å; L73-W84 HydrophobicContact CG-CH2 4.49Å; L73-L86 HydrophobicContact CD2-CD1 3.8Å; L73-W94 HydrophobicContact CB-CD2 4.14Å; L73-W94 HydrophobicContact CB-CG 4.24Å; L73-W94 HydrophobicContact CB-CZ2 4.2Å; L73-W94 HydrophobicContact CD1-CB 4.09Å; L73-W94 HydrophobicContact CD1-CD2 4.43Å; L73-W94 HydrophobicContact CD1-CG 3.69Å
74L94.7Very high93.8Very high6 Ų633.1 Ų33.13%0.03117%0.169CC..Hα-helixtrans-62.4-43.6171.6178.963.2000111.1G70 F71 Y77 V78 W94 Y543 Y544 Y547G70-L74 WeakPolarHBondContact O-CB 3.26Å; G70-L74 PolarHBondContact O-N 2.91Å; F71-L74 PolarHBondContact O-N 3.23Å; L74-Y77 WeakPolarHBondContact O-CB 3.42Å; L74-Y77 PolarHBondContact O-N 3.29Å; L74-V78 HydrophobicContact CD1-CG2 4.34Å; L74-V78 HydrophobicContact CG-CG2 4.49Å; L74-V78 VanDerWaalsContact O-CG2 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.43Å; L74-V78 PolarHBondContact O-N 3.3Å; L74-W94 HydrophobicContact CB-CZ2 4.34Å; L74-Y543 HydrophobicContact CD1-CD1 4.03Å; L74-Y543 HydrophobicContact CD1-CE1 4.26Å; L74-Y543 HydrophobicContact CD2-CD1 3.48Å; L74-Y543 VanDerWaalsContact CD2-CD1 3.48Å; L74-Y543 HydrophobicContact CD2-CE1 4.06Å; L74-Y543 HydrophobicContact CD2-CG 4.36Å; L74-Y543 HydrophobicContact CG-CD1 4.4Å; L74-Y544 HydrophobicContact CD2-CD1 3.78Å; L74-Y544 HydrophobicContact CD2-CD2 4.31Å; L74-Y544 HydrophobicContact CD2-CE1 3.61Å; L74-Y544 HydrophobicContact CD2-CE2 4.15Å; L74-Y544 HydrophobicContact CD2-CG 4.13Å; L74-Y544 HydrophobicContact CG-CE1 4.1Å; L74-Y544 HydrophobicContact CG-CE2 4.38Å; L74-Y547 HydrophobicContact CB-CE2 3.93Å; L74-Y547 HydrophobicContact CD2-CD2 3.83Å; L74-Y547 HydrophobicContact CD2-CE2 3.51Å; L74-Y547 HydrophobicContact CG-CE2 4.36Å
75T95.1Very high93.6Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-67.2-37.3178.4-55.60000112.4L19 W20 T23 F71 P72 L73 Y77 V78 V79 Y544L19-T75 HydrophobicContact CB-CG2 4.42Å; W20-T75 HydrophobicContact CD2-CG2 3.92Å; W20-T75 HydrophobicContact CE3-CG2 4.09Å; W20-T75 HydrophobicContact CG-CG2 4.38Å; W20-T75 HydrophobicContact CH2-CG2 4.43Å; W20-T75 HydrophobicContact CZ2-CG2 4.29Å; W20-T75 HydrophobicContact CZ3-CG2 4.34Å; T23-T75 HydrophobicContact CG2-CG2 4.31Å; T23-T75 WeakPolarHBondContact CG2-OG1 3.13Å; T23-T75 WeakPolarHBondContact OG1-CG2 3.37Å; T23-T75 PolarHBondContact OG1-OG1 3.21Å; F71-T75 PolarHBondContact O-N 2.98Å; F71-T75 PolarHBondContact O-OG1 3.22Å; P72-T75 PolarHBondContact O-N 3.46Å; L73-T75 VanDerWaalsContact C-N 3.34Å; T75-Y77 VanDerWaalsContact C-N 3.33Å; T75-Y77 PolarHBondContact O-N 3.19Å; T75-V78 PolarHBondContact O-N 3Å; T75-V79 HydrophobicContact CG2-CG2 4.06Å; T75-V79 WeakPolarHBondContact O-CB 3.45Å; T75-V79 WeakPolarHBondContact O-CG2 3.36Å; T75-V79 PolarHBondContact O-N 3.34Å; T75-Y544 VanDerWaalsContact CA-OH 3.27Å; T75-Y544 WeakPolarHBondContact CA-OH 3.4Å; T75-Y544 PolarHBondContact OG1-OH 3.27Å
76L94.6Very high93.4Very high47 Ų4737.5 Ų37.525%0.24620%0.196CC..Hα-helixtrans-57.6-47.4171.4-177.966.2000111.1W20 P72 L73 G80 P85 L86W20-L76 HydrophobicContact CH2-CB 4.45Å; P72-L76 WeakPolarHBondContact O-CB 3.5Å; P72-L76 PolarHBondContact O-N 3.24Å; L73-L76 HydrophobicContact CD2-CD2 4.42Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 3.41Å; L76-G80 PolarHBondContact O-N 3.32Å; L76-P85 HydrophobicContact CD1-CG 4.19Å; L76-P85 HydrophobicContact CD2-CG 4.14Å; L76-P85 HydrophobicContact CG-CG 4.27Å; L76-L86 HydrophobicContact CD2-CD1 3.65Å; L76-L86 HydrophobicContact CD2-CG 3.93Å
77Y92.9Very high93.2Very high39 Ų3938.9 Ų38.915%0.15321%0.21CC..Hα-helixtrans-61.1-44.1176.5174.1-99.4000112.7L73 L74 T75 E82 W84 W94 C171L73-Y77 PolarHBondContact O-N 2.95Å; L74-Y77 WeakPolarHBondContact O-CB 3.42Å; L74-Y77 PolarHBondContact O-N 3.29Å; T75-Y77 VanDerWaalsContact C-N 3.33Å; T75-Y77 PolarHBondContact O-N 3.19Å; Y77-E82 HydrophobicContact CE1-CG 4.31Å; Y77-E82 HydrophobicContact CE2-CB 3.97Å; Y77-E82 HydrophobicContact CE2-CG 4.47Å; Y77-E82 PolarHBondContact O-N 3.29Å; Y77-E82 VanDerWaalsContact O-N 3.12Å; Y77-E82 WeakPolarHBondContact OH-CG 3.26Å; Y77-W84 HydrophobicContact CD2-CE3 4.38Å; Y77-W94 HydrophobicContact CG-CH2 4.31Å; Y77-C171 WeakPolarHBondContact CE2-O 2.87Å
78V92.3Very high92.9Very high11 Ų1140.7 Ų40.77%0.06722%0.219CC..Hα-helixtrans-67.8-49.9-179.2170.20000111.7Y11 L19 L74 T75 G80 R81 L540 Y544Y11-V78 WeakPolarHBondContact CE2-O 3.17Å; L19-V78 HydrophobicContact CD1-CG1 4.27Å; L74-V78 HydrophobicContact CD1-CG2 4.34Å; L74-V78 HydrophobicContact CG-CG2 4.49Å; L74-V78 VanDerWaalsContact O-CG2 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.43Å; L74-V78 PolarHBondContact O-N 3.3Å; T75-V78 PolarHBondContact O-N 3Å; V78-G80 PolarHBondContact O-N 2.7Å; V78-R81 PolarHBondContact O-N 2.94Å; V78-L540 HydrophobicContact CB-CD1 4.46Å; V78-L540 HydrophobicContact CG1-CD1 4Å; V78-L540 HydrophobicContact CG2-CD1 3.8Å; V78-L540 HydrophobicContact CG2-CD2 3.61Å; V78-L540 HydrophobicContact CG2-CG 4.17Å; V78-Y544 HydrophobicContact CG2-CE2 4.26Å
79V92.5Very high92.8Very high34 Ų3441.4 Ų41.421%0.20622%0.224CC..Hα-helixtrans-63-34.1-179.6168.70000110.9V16 L19 T75 R81V16-V79 HydrophobicContact CB-CG1 4.41Å; V16-V79 HydrophobicContact CG1-CG1 3.56Å; V16-V79 HydrophobicContact CG1-CG2 4.15Å; V16-V79 HydrophobicContact CG2-CG1 4.03Å; L19-V79 HydrophobicContact CD1-CG2 4.26Å; T75-V79 HydrophobicContact CG2-CG2 4.06Å; T75-V79 WeakPolarHBondContact O-CB 3.45Å; T75-V79 WeakPolarHBondContact O-CG2 3.36Å; T75-V79 PolarHBondContact O-N 3.34Å; V79-R81 PolarHBondContact O-N 3.24Å
80G89.6Confident92.8Very high30 Ų3043.1 Ų43.131%0.30924%0.236SC..THydrogen-bonded Turntrans-69.4-0.8173.500000115.1L76 V78 E82 H83L76-G80 PolarHBondContact O-N 3.32Å; V78-G80 PolarHBondContact O-N 2.7Å; G80-E82 VanDerWaalsContact C-N 3.33Å; G80-E82 PolarHBondContact O-N 3.13Å; G80-H83 WeakPolarHBondContact O-CB 3.49Å; G80-H83 PolarHBondContact O-N 3.23Å
81R87.4Confident92.8Very high90 Ų9043.2 Ų43.234%0.3424%0.237SC..THydrogen-bonded Turntrans50.652.9-172.4-69.9-167.5169.4-160.210.1112E9 Y11 V78 V79 H83E9-R81 PolarHBondContact O-NE 3.01Å; E9-R81 PolarHBondContact O-NH1 3.48Å; E9-R81 PolarHBondContact O-NH2 3.43Å; Y11-R81 HydrophobicContact CD2-CG 3.76Å; Y11-R81 HydrophobicContact CE2-CG 3.37Å; V78-R81 PolarHBondContact O-N 2.94Å; V79-R81 PolarHBondContact O-N 3.24Å; R81-H83 PolarHBondContact O-N 3.18Å
82E83Confident92.8Very high79 Ų7945.2 Ų45.237%0.36925%0.246SC..THydrogen-bonded Turntrans70.12-177.9-45.8176.7178.100114.4Y77 G80 N536Y77-E82 HydrophobicContact CE1-CG 4.31Å; Y77-E82 HydrophobicContact CE2-CB 3.97Å; Y77-E82 HydrophobicContact CE2-CG 4.47Å; Y77-E82 PolarHBondContact O-N 3.29Å; Y77-E82 VanDerWaalsContact O-N 3.12Å; Y77-E82 WeakPolarHBondContact OH-CG 3.26Å; G80-E82 VanDerWaalsContact C-N 3.33Å; G80-E82 PolarHBondContact O-N 3.13Å; E82-N536 PolarHBondContact OE1-ND2 2.85Å
83H90.7Very high92.8Very high93 Ų9347.5 Ų47.543%0.43126%0.255SS..BIsolated β-bridgetrans-75125.3167.8-174.372.3000110.7G80 R81 N169G80-H83 WeakPolarHBondContact O-CB 3.49Å; G80-H83 PolarHBondContact O-N 3.23Å; R81-H83 PolarHBondContact O-N 3.18Å; H83-N169 CarbonylContact C-O 3.38Å; H83-N169 WeakPolarHBondContact CA-O 3.49Å
84W92.7Very high92.9Very high3 Ų346.6 Ų46.61%0.01125%0.249CC..  trans-109.5109.1179.1-176.2-99.9000111.8L73 Y77 L86 G87 V90 C91 W94 N169 C171L73-W84 HydrophobicContact CB-CH2 4.18Å; L73-W84 HydrophobicContact CD2-CH2 4.01Å; L73-W84 HydrophobicContact CG-CH2 4.49Å; Y77-W84 HydrophobicContact CD2-CE3 4.38Å; W84-L86 HydrophobicContact CH2-CD1 4.23Å; W84-L86 HydrophobicContact CZ2-CB 4.05Å; W84-L86 HydrophobicContact CZ2-CD1 3.92Å; W84-L86 HydrophobicContact CZ2-CG 4.37Å; W84-G87 PolarHBondContact NE1-O 3.19Å; W84-V90 HydrophobicContact CZ2-CG1 4.14Å; W84-C91 HydrophobicContact CG-CB 4.5Å; W84-W94 HydrophobicContact CE3-CE3 4.26Å; W84-W94 HydrophobicContact CE3-CZ3 4.05Å; W84-W94 HydrophobicContact CH2-CB 4.45Å; W84-W94 AromaticContact CH2-CD2 3.73Å; W84-W94 HydrophobicContact CH2-CD2 3.73Å; W84-W94 AromaticContact CH2-CE3 3.34Å; W84-W94 HydrophobicContact CH2-CE3 3.34Å; W84-W94 HydrophobicContact CH2-CG 4.21Å; W84-W94 AromaticContact CH2-CZ3 3.86Å; W84-W94 HydrophobicContact CH2-CZ3 3.86Å; W84-W94 AromaticContact CZ2-CE3 4Å; W84-W94 HydrophobicContact CZ2-CE3 4Å; W84-W94 HydrophobicContact CZ3-CD2 4.18Å; W84-W94 AromaticContact CZ3-CE3 3.51Å; W84-W94 HydrophobicContact CZ3-CE3 3.51Å; W84-W94 HydrophobicContact CZ3-CH2 4.14Å; W84-W94 AromaticContact CZ3-CZ3 3.49Å; W84-W94 HydrophobicContact CZ3-CZ3 3.49Å; W84-W94 VanDerWaalsContact CZ3-CZ3 3.49Å; W84-N169 PolarHBondContact N-O 3.18Å; W84-C171 HydrophobicContact CB-CB 3.55Å; W84-C171 HydrophobicContact CD2-CB 3.74Å; W84-C171 HydrophobicContact CE3-CB 4.11Å; W84-C171 HydrophobicContact CG-CB 3.5Å; W84-C171 VanDerWaalsContact CG-CB 3.5Å
85P93.1Very high92.9Very high75 Ų7546.8 Ų46.849%0.48725%0.25SS..THydrogen-bonded Turntrans-87.3-10.8-172.833.4-35.7000114.7L76 G87L76-P85 HydrophobicContact CD1-CG 4.19Å; L76-P85 HydrophobicContact CD2-CG 4.14Å; L76-P85 HydrophobicContact CG-CG 4.27Å; P85-G87 VanDerWaalsContact C-N 3.33Å; P85-G87 PolarHBondContact O-N 3.36Å
86L94.2Very high93Very high79 Ų7947.6 Ų47.641%0.41426%0.256SS..THydrogen-bonded Turntrans-89.46.6-172.2-56.9177.3000114.1L73 L76 W84 V90L73-L86 HydrophobicContact CD2-CD1 3.8Å; L76-L86 HydrophobicContact CD2-CD1 3.65Å; L76-L86 HydrophobicContact CD2-CG 3.93Å; W84-L86 HydrophobicContact CH2-CD1 4.23Å; W84-L86 HydrophobicContact CZ2-CB 4.05Å; W84-L86 HydrophobicContact CZ2-CD1 3.92Å; W84-L86 HydrophobicContact CZ2-CG 4.37Å; L86-V90 HydrophobicContact CB-CB 3.96Å; L86-V90 HydrophobicContact CB-CG1 3.94Å; L86-V90 HydrophobicContact CB-CG2 4.35Å; L86-V90 HydrophobicContact CD1-CG1 4.1Å; L86-V90 WeakPolarHBondContact O-CB 3.31Å; L86-V90 VanDerWaalsContact O-CG2 3.24Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å
87G92.9Very high93.2Very high29 Ų2948.4 Ų48.430%0.29926%0.26SS..Hα-helixtrans76.5168.5-179.500000114.7W84 P85 L89 C91W84-G87 PolarHBondContact NE1-O 3.19Å; P85-G87 VanDerWaalsContact C-N 3.33Å; P85-G87 PolarHBondContact O-N 3.36Å; G87-L89 PolarHBondContact O-N 3.09Å; G87-C91 PolarHBondContact O-N 3.01Å; G87-C91 VanDerWaalsContact O-N 3.15Å
88Q91.6Very high93.3Very high39 Ų3946.5 Ų46.518%0.18225%0.252CS..Hα-helixtrans-68.7-34.8-169.7-74.3-62.7-46.100114.5C91 K92 P167 T168 K170Q88-C91 WeakPolarHBondContact O-CB 3.32Å; Q88-C91 PolarHBondContact O-N 3.38Å; Q88-K92 WeakPolarHBondContact O-CG 3.37Å; Q88-K92 PolarHBondContact O-N 3.25Å; Q88-P167 PolarHBondContact NE2-O 3.33Å; Q88-T168 HydrophobicContact CG-CG2 4.39Å; Q88-T168 PolarHBondContact NE2-O 3.37Å; Q88-K170 PolarHBondContact NE2-O 2.73Å
89L93.5Very high93.5Very high117 Ų11747.6 Ų47.661%0.61326%0.256SS*.Hα-helixtrans-65.2-46.8179.1178.961.6000111.2G87 C91 K92 I93G87-L89 PolarHBondContact O-N 3.09Å; L89-C91 VanDerWaalsContact C-N 3.3Å; L89-C91 PolarHBondContact O-N 2.94Å; L89-K92 PolarHBondContact O-N 2.89Å; L89-I93 HydrophobicContact CD1-CD1 4.07Å; L89-I93 HydrophobicContact CD1-CG1 4.41Å; L89-I93 HydrophobicContact CG-CD1 3.96Å; L89-I93 WeakPolarHBondContact O-CG1 3.27Å; L89-I93 PolarHBondContact O-N 3.41Å
90V95.1Very high93.7Very high60 Ų6046.2 Ų46.236%0.36425%0.247SC..Hα-helixtrans-64.8-38.5178.5-174.20000110.4W84 L86 I93 W94W84-V90 HydrophobicContact CZ2-CG1 4.14Å; L86-V90 HydrophobicContact CB-CB 3.96Å; L86-V90 HydrophobicContact CB-CG1 3.94Å; L86-V90 HydrophobicContact CB-CG2 4.35Å; L86-V90 HydrophobicContact CD1-CG1 4.1Å; L86-V90 WeakPolarHBondContact O-CB 3.31Å; L86-V90 VanDerWaalsContact O-CG2 3.24Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; V90-I93 PolarHBondContact O-N 3.19Å; V90-W94 VanDerWaalsContact O-CB 3.25Å; V90-W94 WeakPolarHBondContact O-CB 3.34Å; V90-W94 PolarHBondContact O-N 3.47Å
91C95.6Very high94.1Very high3 Ų344.8 Ų44.82%0.0223%0.233CC..Hα-helixtrans-56.3-52.2172.31720000112W84 G87 Q88 L89 I93 W94 L95 C171W84-C91 HydrophobicContact CG-CB 4.5Å; G87-C91 PolarHBondContact O-N 3.01Å; G87-C91 VanDerWaalsContact O-N 3.15Å; Q88-C91 WeakPolarHBondContact O-CB 3.32Å; Q88-C91 PolarHBondContact O-N 3.38Å; L89-C91 VanDerWaalsContact C-N 3.3Å; L89-C91 PolarHBondContact O-N 2.94Å; C91-I93 VanDerWaalsContact C-N 3.34Å; C91-I93 PolarHBondContact O-N 2.89Å; C91-W94 PolarHBondContact O-N 3.37Å; C91-L95 WeakPolarHBondContact O-CG 3.47Å; C91-L95 PolarHBondContact O-N 3.36Å; C91-C171 VanDerWaalsContact CA-SG 3.53Å; C91-C171 HydrophobicContact CB-CB 3.82Å; C91-C171 WeakPolarHBondContact CB-SG 3.45Å; C91-C171 WeakPolarHBondContact SG-CA 3.31Å; C91-C171 WeakPolarHBondContact SG-CB 3.05Å; C91-C171 CovalentContact SG-SG 2.02Å; C91-C171 PolarHBondContact SG-SG 3.31Å
92K95.6Very high94.5Very high43 Ų4341.1 Ų41.119%0.18722%0.221CC..Hα-helixtrans-61.3-41.8-180-72.4-177.2179.9-175.50112.3Q88 L89 C96 I154 F155Q88-K92 WeakPolarHBondContact O-CG 3.37Å; Q88-K92 PolarHBondContact O-N 3.25Å; L89-K92 PolarHBondContact O-N 2.89Å; K92-C96 WeakPolarHBondContact O-CB 3.2Å; K92-C96 PolarHBondContact O-N 2.83Å; K92-I154 HydrophobicContact CB-CG2 3.97Å; K92-I154 HydrophobicContact CG-CG2 4.16Å; K92-F155 HydrophobicContact CB-CE1 3.89Å; K92-F155 HydrophobicContact CB-CZ 4.07Å; K92-F155 HydrophobicContact CD-CD1 4.27Å; K92-F155 HydrophobicContact CD-CE1 4.31Å
93I96.4Very high95.1Very high88 Ų8837.6 Ų37.645%0.45120%0.204SC..Hα-helixtrans-63.8-47.4176.9-68.1168.7000110.5L89 V90 C91 C96 L97 F155L89-I93 HydrophobicContact CD1-CD1 4.07Å; L89-I93 HydrophobicContact CD1-CG1 4.41Å; L89-I93 HydrophobicContact CG-CD1 3.96Å; L89-I93 WeakPolarHBondContact O-CG1 3.27Å; L89-I93 PolarHBondContact O-N 3.41Å; V90-I93 PolarHBondContact O-N 3.19Å; C91-I93 VanDerWaalsContact C-N 3.34Å; C91-I93 PolarHBondContact O-N 2.89Å; I93-C96 PolarHBondContact O-N 2.95Å; I93-L97 VanDerWaalsContact O-CB 3.3Å; I93-L97 WeakPolarHBondContact O-CB 3.46Å; I93-L97 PolarHBondContact O-N 3.25Å; I93-F155 HydrophobicContact CG1-CZ 4.3Å
94W97.2Very high95.4Very high13 Ų1333.2 Ų33.25%0.04918%0.184CC..Hα-helixtrans-58.9-54.3179.1170.546.5000111.4E69 L73 L74 Y77 W84 V90 C91 C96 L97 D98E69-W94 PolarHBondContact OE2-NE1 2.87Å; L73-W94 HydrophobicContact CB-CD2 4.14Å; L73-W94 HydrophobicContact CB-CG 4.24Å; L73-W94 HydrophobicContact CB-CZ2 4.2Å; L73-W94 HydrophobicContact CD1-CB 4.09Å; L73-W94 HydrophobicContact CD1-CD2 4.43Å; L73-W94 HydrophobicContact CD1-CG 3.69Å; L74-W94 HydrophobicContact CB-CZ2 4.34Å; Y77-W94 HydrophobicContact CG-CH2 4.31Å; W84-W94 HydrophobicContact CE3-CE3 4.26Å; W84-W94 HydrophobicContact CE3-CZ3 4.05Å; W84-W94 HydrophobicContact CH2-CB 4.45Å; W84-W94 AromaticContact CH2-CD2 3.73Å; W84-W94 HydrophobicContact CH2-CD2 3.73Å; W84-W94 AromaticContact CH2-CE3 3.34Å; W84-W94 HydrophobicContact CH2-CE3 3.34Å; W84-W94 HydrophobicContact CH2-CG 4.21Å; W84-W94 AromaticContact CH2-CZ3 3.86Å; W84-W94 HydrophobicContact CH2-CZ3 3.86Å; W84-W94 AromaticContact CZ2-CE3 4Å; W84-W94 HydrophobicContact CZ2-CE3 4Å; W84-W94 HydrophobicContact CZ3-CD2 4.18Å; W84-W94 AromaticContact CZ3-CE3 3.51Å; W84-W94 HydrophobicContact CZ3-CE3 3.51Å; W84-W94 HydrophobicContact CZ3-CH2 4.14Å; W84-W94 AromaticContact CZ3-CZ3 3.49Å; W84-W94 HydrophobicContact CZ3-CZ3 3.49Å; W84-W94 VanDerWaalsContact CZ3-CZ3 3.49Å; V90-W94 VanDerWaalsContact O-CB 3.25Å; V90-W94 WeakPolarHBondContact O-CB 3.34Å; V90-W94 PolarHBondContact O-N 3.47Å; C91-W94 PolarHBondContact O-N 3.37Å; W94-C96 VanDerWaalsContact C-N 3.29Å; W94-C96 PolarHBondContact O-N 3.44Å; W94-L97 PolarHBondContact O-N 2.81Å; W94-D98 WeakPolarHBondContact O-CB 3.42Å; W94-D98 PolarHBondContact O-N 3.31Å
95L96.1Very high95.5Very high11 Ų1133.1 Ų33.16%0.05818%0.183CC..Hα-helixtrans-57.6-43.6178-66175.6000111C91 L97 D98 Y99 I154 A173C91-L95 WeakPolarHBondContact O-CG 3.47Å; C91-L95 PolarHBondContact O-N 3.36Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.13Å; L95-D98 PolarHBondContact O-N 3.48Å; L95-Y99 HydrophobicContact CB-CD2 4.28Å; L95-Y99 HydrophobicContact CB-CE2 4.19Å; L95-Y99 HydrophobicContact CD2-CE2 4.11Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 3.38Å; L95-I154 HydrophobicContact CB-CD1 4.01Å; L95-A173 HydrophobicContact CD1-CB 4.37Å
96C97Very high95.6Very high17 Ų1729.6 Ų29.612%0.11516%0.161CC..Hα-helixtrans-62.7-43.2179.7-1770000112.3K92 I93 W94 T100 I154 F155K92-C96 WeakPolarHBondContact O-CB 3.2Å; K92-C96 PolarHBondContact O-N 2.83Å; I93-C96 PolarHBondContact O-N 2.95Å; W94-C96 VanDerWaalsContact C-N 3.29Å; W94-C96 PolarHBondContact O-N 3.44Å; C96-T100 WeakPolarHBondContact O-CB 3.43Å; C96-T100 PolarHBondContact O-N 2.91Å; C96-T100 PolarHBondContact O-OG1 2.83Å; C96-I154 HydrophobicContact CB-CD1 3.76Å; C96-I154 HydrophobicContact CB-CG2 4.47Å; C96-I154 VanDerWaalsContact N-CD1 3.3Å; C96-F155 HydrophobicContact CB-CE2 4.01Å
97L97.3Very high95.7Very high63 Ų6327.6 Ų27.633%0.3315%0.149SC..Hα-helixtrans-66.4-48.6178-176.958.7000110.7I65 E69 I93 W94 L95 T100 L101I65-L97 HydrophobicContact CG2-CD1 4.47Å; I65-L97 HydrophobicContact CG2-CD2 4.13Å; I65-L97 HydrophobicContact CG2-CG 4.48Å; E69-L97 HydrophobicContact CG-CD2 3.84Å; I93-L97 VanDerWaalsContact O-CB 3.3Å; I93-L97 WeakPolarHBondContact O-CB 3.46Å; I93-L97 PolarHBondContact O-N 3.25Å; W94-L97 PolarHBondContact O-N 2.81Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 3.13Å; L97-T100 WeakPolarHBondContact O-CB 3.39Å; L97-T100 PolarHBondContact O-N 2.97Å; L97-L101 HydrophobicContact CD1-CD1 3.79Å; L97-L101 HydrophobicContact CD1-CD2 4.39Å; L97-L101 HydrophobicContact CD1-CG 3.95Å; L97-L101 HydrophobicContact CD2-CD1 4.46Å; L97-L101 HydrophobicContact CG-CD1 3.67Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.11Å; L97-L101 PolarHBondContact O-N 3.42Å
98D96.6Very high95.8Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-64.1-51-175.8-177.536.5000112.5W94 L95 T100 L101 C102 Y543 Y547W94-D98 WeakPolarHBondContact O-CB 3.42Å; W94-D98 PolarHBondContact O-N 3.31Å; L95-D98 PolarHBondContact O-N 3.48Å; D98-T100 PolarHBondContact O-N 3.17Å; D98-L101 PolarHBondContact O-N 3.43Å; D98-C102 VanDerWaalsContact O-CB 3.27Å; D98-C102 WeakPolarHBondContact O-CB 3.34Å; D98-C102 PolarHBondContact O-N 3.32Å; D98-C102 PolarHBondContact O-SG 3.41Å; D98-C102 VanDerWaalsContact O-SG 3.39Å; D98-Y543 PolarHBondContact OD2-OH 3.24Å; D98-Y547 WeakPolarHBondContact OD1-CE1 3.42Å; D98-Y547 PolarHBondContact OD1-OH 3.46Å; D98-Y547 PolarHBondContact OD2-OH 2.99Å; D98-Y547 VanDerWaalsContact OD2-OH 3.05Å
99Y95.5Very high95.9Very high34 Ų3424.4 Ų24.413%0.13313%0.126CC..Hα-helixtrans-59-38175.2-74.6-65.8000111.9L95 L103 F150 I154 A173 L176L95-Y99 HydrophobicContact CB-CD2 4.28Å; L95-Y99 HydrophobicContact CB-CE2 4.19Å; L95-Y99 HydrophobicContact CD2-CE2 4.11Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 3.38Å; Y99-L103 WeakPolarHBondContact O-CB 3.33Å; Y99-L103 PolarHBondContact O-N 2.87Å; Y99-F150 HydrophobicContact CD1-CE1 4.37Å; Y99-F150 HydrophobicContact CG-CD1 4.21Å; Y99-F150 HydrophobicContact CG-CE1 4.23Å; Y99-F150 VanDerWaalsContact O-CE2 3.31Å; Y99-F150 WeakPolarHBondContact O-CE2 3.17Å; Y99-I154 HydrophobicContact CD2-CD1 4.01Å; Y99-A173 HydrophobicContact CE2-CB 3.92Å; Y99-L176 WeakPolarHBondContact OH-CD1 3.36Å
100T97.4Very high96Very high5 Ų520.7 Ų20.73%0.03111%0.107CC..Hα-helixtrans-63.4-52175.9-66.40000111.3C96 L97 D98 C102 L103 V104 P146 T147C96-T100 WeakPolarHBondContact O-CB 3.43Å; C96-T100 PolarHBondContact O-N 2.91Å; C96-T100 PolarHBondContact O-OG1 2.83Å; L97-T100 WeakPolarHBondContact O-CB 3.39Å; L97-T100 PolarHBondContact O-N 2.97Å; D98-T100 PolarHBondContact O-N 3.17Å; T100-C102 VanDerWaalsContact C-N 3.33Å; T100-C102 PolarHBondContact O-N 3.48Å; T100-L103 PolarHBondContact O-N 2.95Å; T100-V104 HydrophobicContact CG2-CG2 4.22Å; T100-V104 WeakPolarHBondContact O-CB 3.38Å; T100-V104 WeakPolarHBondContact O-CG2 3.43Å; T100-V104 PolarHBondContact O-N 3.49Å; T100-P146 HydrophobicContact CG2-CB 4.15Å; T100-T147 VanDerWaalsContact CG2-OG1 3.26Å; T100-T147 WeakPolarHBondContact CG2-OG1 3.48Å
101L97.1Very high96Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-63.4-41.4-177.9-69.1169.1000111.5I65 I66 E69 L97 D98 V104 S105 W143I65-L101 HydrophobicContact CB-CD1 3.76Å; I65-L101 HydrophobicContact CB-CD2 4.04Å; I65-L101 HydrophobicContact CD1-CD2 3.9Å; I65-L101 HydrophobicContact CG2-CD1 3.4Å; I65-L101 HydrophobicContact CG2-CD2 4.29Å; I65-L101 HydrophobicContact CG2-CG 4.47Å; I66-L101 HydrophobicContact CD1-CB 4.09Å; I66-L101 HydrophobicContact CG1-CB 3.9Å; I66-L101 HydrophobicContact CG1-CD1 4.06Å; E69-L101 WeakPolarHBondContact OE1-CD1 3.4Å; L97-L101 HydrophobicContact CD1-CD1 3.79Å; L97-L101 HydrophobicContact CD1-CD2 4.39Å; L97-L101 HydrophobicContact CD1-CG 3.95Å; L97-L101 HydrophobicContact CD2-CD1 4.46Å; L97-L101 HydrophobicContact CG-CD1 3.67Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.11Å; L97-L101 PolarHBondContact O-N 3.42Å; D98-L101 PolarHBondContact O-N 3.43Å; L101-V104 WeakPolarHBondContact O-CB 3.18Å; L101-V104 PolarHBondContact O-N 3.09Å; L101-S105 PolarHBondContact O-N 3.44Å; L101-S105 PolarHBondContact O-OG 2.93Å; L101-W143 HydrophobicContact CD2-CH2 3.86Å; L101-W143 HydrophobicContact CD2-CZ3 3.82Å
102C95.4Very high95.9Very high13 Ų1319.7 Ų19.79%0.08810%0.099CC..Hα-helixtrans-55.4-55.1173.5-81.20000110.8D98 T100 V104 S105 I106 W517D98-C102 VanDerWaalsContact O-CB 3.27Å; D98-C102 WeakPolarHBondContact O-CB 3.34Å; D98-C102 PolarHBondContact O-N 3.32Å; D98-C102 PolarHBondContact O-SG 3.41Å; D98-C102 VanDerWaalsContact O-SG 3.39Å; T100-C102 VanDerWaalsContact C-N 3.33Å; T100-C102 PolarHBondContact O-N 3.48Å; C102-V104 PolarHBondContact O-N 3.12Å; C102-S105 WeakPolarHBondContact O-CB 3.31Å; C102-S105 PolarHBondContact O-N 3.1Å; C102-S105 VanDerWaalsContact O-N 3.15Å; C102-I106 WeakPolarHBondContact O-CG1 3.34Å; C102-I106 PolarHBondContact O-N 3.08Å; C102-I106 VanDerWaalsContact O-N 3.09Å; C102-W517 HydrophobicContact CB-CH2 3.61Å; C102-W517 HydrophobicContact CB-CZ3 4.14Å
103L95.9Very high95.8Very high5 Ų517.6 Ų17.63%0.0269%0.09CC..Hα-helixtrans-67.6-34-179.1-174.559000112.9Y99 T100 S105 I106 F107 P146 L149 F150 Y189Y99-L103 WeakPolarHBondContact O-CB 3.33Å; Y99-L103 PolarHBondContact O-N 2.87Å; T100-L103 PolarHBondContact O-N 2.95Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 2.66Å; L103-I106 HydrophobicContact CD1-CB 4.39Å; L103-I106 HydrophobicContact CD1-CD1 4.39Å; L103-I106 PolarHBondContact O-N 3.23Å; L103-F107 HydrophobicContact CD1-CD1 3.98Å; L103-F107 HydrophobicContact CD1-CE1 3.64Å; L103-F107 HydrophobicContact CD1-CE2 4.47Å; L103-F107 HydrophobicContact CD1-CZ 3.92Å; L103-F107 HydrophobicContact CD2-CE2 4.2Å; L103-F107 HydrophobicContact CD2-CZ 4.01Å; L103-F107 HydrophobicContact CG-CD1 4.42Å; L103-F107 HydrophobicContact CG-CD2 4.34Å; L103-F107 HydrophobicContact CG-CE1 4.14Å; L103-F107 HydrophobicContact CG-CE2 4.07Å; L103-F107 HydrophobicContact CG-CZ 3.96Å; L103-F107 WeakPolarHBondContact O-CB 3.36Å; L103-F107 PolarHBondContact O-N 2.99Å; L103-P146 HydrophobicContact CB-CB 3.99Å; L103-P146 HydrophobicContact CB-CG 4.09Å; L103-P146 HydrophobicContact CD2-CB 3.81Å; L103-P146 HydrophobicContact CD2-CG 3.77Å; L103-P146 HydrophobicContact CG-CB 4.04Å; L103-P146 HydrophobicContact CG-CG 3.73Å; L103-L149 HydrophobicContact CD2-CD2 4.12Å; L103-F150 HydrophobicContact CB-CE2 3.85Å; L103-F150 HydrophobicContact CD2-CD2 4.47Å; L103-F150 HydrophobicContact CD2-CE2 3.55Å; L103-F150 HydrophobicContact CD2-CZ 4.15Å; L103-F150 HydrophobicContact CG-CE2 4.33Å; L103-Y189 HydrophobicContact CD1-CG 4.18Å; L103-Y189 HydrophobicContact CD2-CG 4.44Å
104V97.3Very high95.7Very high0 Ų015.7 Ų15.70%08%0.082CC..Hα-helixtrans-57.2-45170.8165.70000110.6T100 L101 C102 F107 T108 S142 W143 P146T100-V104 HydrophobicContact CG2-CG2 4.22Å; T100-V104 WeakPolarHBondContact O-CB 3.38Å; T100-V104 WeakPolarHBondContact O-CG2 3.43Å; T100-V104 PolarHBondContact O-N 3.49Å; L101-V104 WeakPolarHBondContact O-CB 3.18Å; L101-V104 PolarHBondContact O-N 3.09Å; C102-V104 PolarHBondContact O-N 3.12Å; V104-F107 PolarHBondContact O-N 3.47Å; V104-T108 VanDerWaalsContact O-CB 3.24Å; V104-T108 WeakPolarHBondContact O-CB 2.93Å; V104-T108 PolarHBondContact O-N 2.59Å; V104-T108 PolarHBondContact O-OG1 3.06Å; V104-S142 WeakPolarHBondContact CG2-O 3.46Å; V104-W143 HydrophobicContact CG1-CD2 3.96Å; V104-W143 HydrophobicContact CG1-CG 4.35Å; V104-W143 HydrophobicContact CG1-CH2 4.36Å; V104-W143 HydrophobicContact CG1-CZ2 3.8Å; V104-W143 HydrophobicContact CG2-CD2 3.99Å; V104-W143 HydrophobicContact CG2-CE3 4.09Å; V104-W143 HydrophobicContact CG2-CG 4.18Å; V104-P146 HydrophobicContact CG2-CB 4.36Å; V104-P146 HydrophobicContact CG2-CG 4.18Å
105S94.9Very high95.5Very high1 Ų115.3 Ų15.31%0.0078%0.081CC..Hα-helixtrans-63.5-43.8177.5-73.70000111.2S62 D63 L101 C102 L103 T108 V109S62-S105 PolarHBondContact OG-OG 3.11Å; D63-S105 PolarHBondContact OD1-OG 2.9Å; L101-S105 PolarHBondContact O-N 3.44Å; L101-S105 PolarHBondContact O-OG 2.93Å; C102-S105 WeakPolarHBondContact O-CB 3.31Å; C102-S105 PolarHBondContact O-N 3.1Å; C102-S105 VanDerWaalsContact O-N 3.15Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 2.66Å; S105-T108 PolarHBondContact O-N 3.46Å; S105-V109 WeakPolarHBondContact O-CG2 3.32Å; S105-V109 PolarHBondContact O-N 3.43Å
106I94.8Very high95.3Very high1 Ų117.2 Ų17.21%0.0059%0.087CC..Hα-helixtrans-59-52.3175.1-57.6-178.7000111.4C102 L103 T108 V109 L110 Y190 I193 M197 F513 W517 Y521C102-I106 WeakPolarHBondContact O-CG1 3.34Å; C102-I106 PolarHBondContact O-N 3.08Å; C102-I106 VanDerWaalsContact O-N 3.09Å; L103-I106 HydrophobicContact CD1-CB 4.39Å; L103-I106 HydrophobicContact CD1-CD1 4.39Å; L103-I106 PolarHBondContact O-N 3.23Å; I106-T108 VanDerWaalsContact C-N 3.3Å; I106-T108 PolarHBondContact O-N 3.04Å; I106-V109 PolarHBondContact O-N 2.95Å; I106-L110 PolarHBondContact O-N 3.09Å; I106-Y190 HydrophobicContact CD1-CD2 4.44Å; I106-I193 HydrophobicContact CG2-CB 4.26Å; I106-I193 HydrophobicContact CG2-CD1 3.82Å; I106-I193 HydrophobicContact CG2-CG2 3.8Å; I106-M197 WeakPolarHBondContact O-CE 3.15Å; I106-F513 HydrophobicContact CB-CE2 4.27Å; I106-F513 HydrophobicContact CB-CZ 4.04Å; I106-F513 HydrophobicContact CD1-CZ 4.41Å; I106-F513 HydrophobicContact CG1-CE2 3.82Å; I106-F513 HydrophobicContact CG1-CZ 3.67Å; I106-F513 HydrophobicContact CG2-CZ 3.87Å; I106-W517 HydrophobicContact CD1-CE3 4.25Å; I106-W517 HydrophobicContact CD1-CH2 4.05Å; I106-W517 HydrophobicContact CD1-CZ3 3.82Å; I106-W517 HydrophobicContact CG1-CH2 3.88Å; I106-W517 HydrophobicContact CG1-CZ2 4.13Å; I106-W517 HydrophobicContact CG1-CZ3 4.13Å; I106-Y521 HydrophobicContact CD1-CE2 4.4Å; I106-Y521 WeakPolarHBondContact CD1-OH 3.44Å
107F96.1Very high95.1Very high38 Ų3818.7 Ų18.717%0.1679%0.091CC..Hα-helixtrans-61.6-38.6178.5-76.1-5.3000111.9L103 V104 V109 L110 L111 I145 P146 I193L103-F107 HydrophobicContact CD1-CD1 3.98Å; L103-F107 HydrophobicContact CD1-CE1 3.64Å; L103-F107 HydrophobicContact CD1-CE2 4.47Å; L103-F107 HydrophobicContact CD1-CZ 3.92Å; L103-F107 HydrophobicContact CD2-CE2 4.2Å; L103-F107 HydrophobicContact CD2-CZ 4.01Å; L103-F107 HydrophobicContact CG-CD1 4.42Å; L103-F107 HydrophobicContact CG-CD2 4.34Å; L103-F107 HydrophobicContact CG-CE1 4.14Å; L103-F107 HydrophobicContact CG-CE2 4.07Å; L103-F107 HydrophobicContact CG-CZ 3.96Å; L103-F107 WeakPolarHBondContact O-CB 3.36Å; L103-F107 PolarHBondContact O-N 2.99Å; V104-F107 PolarHBondContact O-N 3.47Å; F107-V109 PolarHBondContact O-N 3.01Å; F107-L110 WeakPolarHBondContact O-CB 3.46Å; F107-L110 PolarHBondContact O-N 3.32Å; F107-L111 WeakPolarHBondContact O-CB 3.38Å; F107-L111 VanDerWaalsContact O-CG 3.27Å; F107-L111 WeakPolarHBondContact O-CG 3.46Å; F107-L111 PolarHBondContact O-N 3.16Å; F107-I145 HydrophobicContact CE2-CB 4.41Å; F107-I145 HydrophobicContact CE2-CG2 4.04Å; F107-P146 HydrophobicContact CD2-CG 3.74Å; F107-P146 HydrophobicContact CE2-CG 3.66Å; F107-I193 HydrophobicContact CD1-CD1 3.66Å; F107-I193 HydrophobicContact CE1-CD1 3.53Å
108T95.8Very high94.9Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-64.8-41.3178.1-600000111.3F55 S58 L59 V104 S105 I106 L111 I112F55-T108 HydrophobicContact CB-CG2 4.18Å; F55-T108 WeakPolarHBondContact O-CG2 3.45Å; S58-T108 PolarHBondContact OG-OG1 3.41Å; L59-T108 HydrophobicContact CB-CG2 3.85Å; L59-T108 HydrophobicContact CD1-CG2 4.37Å; V104-T108 VanDerWaalsContact O-CB 3.24Å; V104-T108 WeakPolarHBondContact O-CB 2.93Å; V104-T108 PolarHBondContact O-N 2.59Å; V104-T108 PolarHBondContact O-OG1 3.06Å; S105-T108 PolarHBondContact O-N 3.46Å; I106-T108 VanDerWaalsContact C-N 3.3Å; I106-T108 PolarHBondContact O-N 3.04Å; T108-L111 PolarHBondContact O-N 3.17Å; T108-I112 HydrophobicContact CG2-CD1 4.26Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.28Å; T108-I112 PolarHBondContact O-N 3.1Å
109V93.7Very high94.6Very high1 Ų120.4 Ų20.41%0.00610%0.104CC..Hα-helixtrans-67.3-36175.4178.30000111.5L59 S105 I106 F107 I112 T113 M197 I509 F513L59-V109 HydrophobicContact CD1-CG2 4.21Å; L59-V109 HydrophobicContact CD2-CG2 4.26Å; S105-V109 WeakPolarHBondContact O-CG2 3.32Å; S105-V109 PolarHBondContact O-N 3.43Å; I106-V109 PolarHBondContact O-N 2.95Å; F107-V109 PolarHBondContact O-N 3.01Å; V109-I112 PolarHBondContact O-N 3.09Å; V109-T113 PolarHBondContact O-N 3.4Å; V109-T113 PolarHBondContact O-OG1 2.99Å; V109-M197 HydrophobicContact CB-CE 3.88Å; V109-M197 HydrophobicContact CB-SD 4.48Å; V109-M197 HydrophobicContact CG1-CE 3.77Å; V109-M197 HydrophobicContact CG1-SD 3.72Å; V109-I509 HydrophobicContact CG1-CG2 4.21Å; V109-I509 HydrophobicContact CG2-CG2 4.37Å; V109-F513 HydrophobicContact CB-CD2 4.45Å; V109-F513 HydrophobicContact CG1-CB 4.46Å; V109-F513 HydrophobicContact CG1-CD2 4.48Å; V109-F513 HydrophobicContact CG1-CG 4.3Å; V109-F513 HydrophobicContact CG2-CD2 4.16Å
110L95.3Very high94.3Very high39 Ų3921.2 Ų21.220%0.20411%0.112CC..Hα-helixtrans-59.7-49.6171.6178.660.1000110.6I106 F107 I112 T113 V114 I193 A196 M197 L200I106-L110 PolarHBondContact O-N 3.09Å; F107-L110 WeakPolarHBondContact O-CB 3.46Å; F107-L110 PolarHBondContact O-N 3.32Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 3.32Å; L110-T113 CarbonylContact O-C 3.58Å; L110-T113 WeakPolarHBondContact O-CA 3.45Å; L110-T113 WeakPolarHBondContact O-CB 3.35Å; L110-T113 PolarHBondContact O-N 2.89Å; L110-V114 HydrophobicContact CD1-CG2 4.26Å; L110-V114 HydrophobicContact CG-CG2 4.44Å; L110-V114 WeakPolarHBondContact O-CG2 3.47Å; L110-V114 PolarHBondContact O-N 3.28Å; L110-I193 HydrophobicContact CB-CG2 4.09Å; L110-I193 HydrophobicContact CD1-CG2 4.27Å; L110-I193 HydrophobicContact CD2-CD1 4.44Å; L110-I193 HydrophobicContact CD2-CG2 4.17Å; L110-I193 HydrophobicContact CG-CG2 4.4Å; L110-A196 HydrophobicContact CD1-CB 4.43Å; L110-M197 HydrophobicContact CB-CE 3.81Å; L110-M197 HydrophobicContact CD1-CG 3.92Å; L110-L200 HydrophobicContact CD1-CD1 4.24Å
111L95.8Very high93.9Very high29 Ų2922.8 Ų22.815%0.15212%0.123CC..Hα-helixtrans-62.5-37.9179.4-70.6170.7000112.3F55 F107 T108 T113 V114 D115 L138F55-L111 HydrophobicContact CD1-CB 3.91Å; F55-L111 HydrophobicContact CD1-CD1 4.24Å; F55-L111 HydrophobicContact CE1-CB 3.79Å; F55-L111 HydrophobicContact CE1-CD1 3.93Å; F55-L111 HydrophobicContact CE1-CG 4.34Å; F55-L111 HydrophobicContact CG-CB 4.47Å; F55-L111 HydrophobicContact CZ-CB 4.23Å; F107-L111 WeakPolarHBondContact O-CB 3.38Å; F107-L111 VanDerWaalsContact O-CG 3.27Å; F107-L111 WeakPolarHBondContact O-CG 3.46Å; F107-L111 PolarHBondContact O-N 3.16Å; T108-L111 PolarHBondContact O-N 3.17Å; L111-T113 VanDerWaalsContact C-N 3.31Å; L111-T113 PolarHBondContact O-N 3.04Å; L111-V114 PolarHBondContact O-N 2.96Å; L111-D115 WeakPolarHBondContact O-CB 3.33Å; L111-D115 PolarHBondContact O-N 3.25Å; L111-L138 HydrophobicContact CD1-CB 4.39Å; L111-L138 HydrophobicContact CD2-CB 4.36Å; L111-L138 HydrophobicContact CD2-CD1 4.4Å; L111-L138 HydrophobicContact CD2-CD2 4.29Å
112I93.2Very high93.6Very high12 Ų1226.7 Ų26.76%0.06214%0.138CC..Hα-helixtrans-60.4-43.4171.2-69.6166.6000110.2F55 L59 T108 V109 L110 R116F55-I112 HydrophobicContact CB-CD1 4.19Å; F55-I112 HydrophobicContact CB-CG1 3.56Å; F55-I112 HydrophobicContact CG-CG1 4.33Å; L59-I112 HydrophobicContact CD2-CD1 4.49Å; T108-I112 HydrophobicContact CG2-CD1 4.26Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.28Å; T108-I112 PolarHBondContact O-N 3.1Å; V109-I112 PolarHBondContact O-N 3.09Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 3.32Å; I112-R116 WeakPolarHBondContact O-CB 3.46Å; I112-R116 WeakPolarHBondContact O-CG 3.31Å; I112-R116 PolarHBondContact O-N 3.36Å
113T93.8Very high93.3Very high0 Ų029.7 Ų29.70%016%0.158CC..Hα-helixtrans-66.8-42.6179.8-56.30000111.4V109 L110 L111 R116 Y117 L200 I204V109-T113 PolarHBondContact O-N 3.4Å; V109-T113 PolarHBondContact O-OG1 2.99Å; L110-T113 CarbonylContact O-C 3.58Å; L110-T113 WeakPolarHBondContact O-CA 3.45Å; L110-T113 WeakPolarHBondContact O-CB 3.35Å; L110-T113 PolarHBondContact O-N 2.89Å; L111-T113 VanDerWaalsContact C-N 3.31Å; L111-T113 PolarHBondContact O-N 3.04Å; T113-R116 PolarHBondContact O-N 3.25Å; T113-Y117 WeakPolarHBondContact O-CB 3.48Å; T113-Y117 PolarHBondContact O-N 3.14Å; T113-L200 HydrophobicContact CG2-CB 3.73Å; T113-L200 HydrophobicContact CG2-CD1 4.15Å; T113-I204 HydrophobicContact CG2-CD1 4.42Å
114V94.5Very high93Very high48 Ų4832.7 Ų32.729%0.29118%0.183SC..Hα-helixtrans-64-48.1175.81730000111.6L110 L111 R116 Y117 L118 L200L110-V114 HydrophobicContact CD1-CG2 4.26Å; L110-V114 HydrophobicContact CG-CG2 4.44Å; L110-V114 WeakPolarHBondContact O-CG2 3.47Å; L110-V114 PolarHBondContact O-N 3.28Å; L111-V114 PolarHBondContact O-N 2.96Å; V114-R116 PolarHBondContact O-N 3.16Å; V114-R116 VanDerWaalsContact O-N 3.15Å; V114-Y117 PolarHBondContact O-N 3Å; V114-L118 HydrophobicContact CG1-CD1 3.77Å; V114-L118 HydrophobicContact CG1-CG 4.19Å; V114-L118 WeakPolarHBondContact O-CB 3.16Å; V114-L118 VanDerWaalsContact O-CG 3.31Å; V114-L118 WeakPolarHBondContact O-CG 3.46Å; V114-L118 PolarHBondContact O-N 3.09Å; V114-L200 HydrophobicContact CG2-CD1 3.58Å
115D93.1Very high92.8Very high5 Ų537.9 Ų37.93%0.02721%0.206CC..Hα-helixtrans-50.7-41.2174.5168.990000110.9S52 F55 L111 S119 Y126 Q130S52-D115 WeakPolarHBondContact CB-OD2 3.37Å; F55-D115 HydrophobicContact CD2-CB 4.42Å; F55-D115 HydrophobicContact CE2-CB 4.01Å; L111-D115 WeakPolarHBondContact O-CB 3.33Å; L111-D115 PolarHBondContact O-N 3.25Å; D115-S119 WeakPolarHBondContact O-CB 3.08Å; D115-S119 PolarHBondContact O-N 3.3Å; D115-Y126 PolarHBondContact OD1-OH 2.88Å; D115-Q130 PolarHBondContact OD1-NE2 3.18Å
116R91.2Very high92.7Very high51 Ų5138.8 Ų38.819%0.19221%0.209CC..Hα-helixtrans-77-40.9-177.5-65.2-66.5-177.5-138.6-13113.2S52 I112 T113 V114 S119 V120 I204 I506S52-R116 PolarHBondContact OG-NH2 3.22Å; I112-R116 WeakPolarHBondContact O-CB 3.46Å; I112-R116 WeakPolarHBondContact O-CG 3.31Å; I112-R116 PolarHBondContact O-N 3.36Å; T113-R116 PolarHBondContact O-N 3.25Å; V114-R116 PolarHBondContact O-N 3.16Å; V114-R116 VanDerWaalsContact O-N 3.15Å; R116-S119 PolarHBondContact O-N 3.33Å; R116-V120 WeakPolarHBondContact O-CB 3.44Å; R116-V120 VanDerWaalsContact O-CG2 3.26Å; R116-V120 WeakPolarHBondContact O-CG2 3.42Å; R116-V120 PolarHBondContact O-N 3.22Å; R116-I204 HydrophobicContact CB-CD1 3.99Å; R116-I506 HydrophobicContact CB-CD1 3.55Å; R116-I506 HydrophobicContact CB-CG1 4.41Å; R116-I506 HydrophobicContact CG-CD1 3.26Å; R116-I506 HydrophobicContact CG-CG1 3.82Å
117Y92.8Very high92.4Very high48 Ų4847.9 Ų47.919%0.18824%0.243CC..Hα-helixtrans-56.9-52171.4178.8-96.6000110.8T113 V114 S119 V120 C121 Y122 L200 I204T113-Y117 WeakPolarHBondContact O-CB 3.48Å; T113-Y117 PolarHBondContact O-N 3.14Å; V114-Y117 PolarHBondContact O-N 3Å; Y117-S119 PolarHBondContact O-N 2.89Å; Y117-V120 PolarHBondContact O-N 2.72Å; Y117-C121 WeakPolarHBondContact CE2-SG 3.47Å; Y117-C121 WeakPolarHBondContact O-CB 3.43Å; Y117-C121 PolarHBondContact O-N 3.43Å; Y117-C121 PolarHBondContact O-SG 3.34Å; Y117-Y122 HydrophobicContact CE1-CE2 4.18Å; Y117-L200 HydrophobicContact CD1-CD2 3.88Å; Y117-L200 HydrophobicContact CD2-CD2 4.06Å; Y117-L200 HydrophobicContact CE1-CD2 4.32Å; Y117-L200 HydrophobicContact CE2-CD2 4.48Å; Y117-L200 HydrophobicContact CG-CD2 3.74Å; Y117-I204 HydrophobicContact CD2-CG1 4.08Å
118L93.7Very high92.2Very high49 Ų4954 Ų5426%0.25727%0.272SS..Hα-helixtrans-63.6-40.5-179.9-63.7175.2000112.4V114 V120 Y122 Y126V114-L118 HydrophobicContact CG1-CD1 3.77Å; V114-L118 HydrophobicContact CG1-CG 4.19Å; V114-L118 WeakPolarHBondContact O-CB 3.16Å; V114-L118 VanDerWaalsContact O-CG 3.31Å; V114-L118 WeakPolarHBondContact O-CG 3.46Å; V114-L118 PolarHBondContact O-N 3.09Å; L118-V120 VanDerWaalsContact C-N 3.29Å; L118-V120 PolarHBondContact O-N 2.83Å; L118-Y122 HydrophobicContact CD2-CD2 4.19Å; L118-Y122 CarbonylContact O-C 3.59Å; L118-Y122 WeakPolarHBondContact O-CA 3.41Å; L118-Y122 PolarHBondContact O-N 2.94Å; L118-Y126 HydrophobicContact CB-CD1 4.37Å; L118-Y126 HydrophobicContact CB-CD2 3.46Å; L118-Y126 VanDerWaalsContact CB-CD2 3.46Å; L118-Y126 HydrophobicContact CB-CE2 3.67Å; L118-Y126 HydrophobicContact CB-CG 3.84Å; L118-Y126 HydrophobicContact CD1-CD2 3.91Å; L118-Y126 HydrophobicContact CD1-CE2 3.59Å; L118-Y126 HydrophobicContact CG-CD2 4.29Å; L118-Y126 HydrophobicContact CG-CE2 4.3Å
119S89.6Confident92Very high49 Ų4959 Ų5934%0.34329%0.291SS..Hα-helixtrans-66.4-27.7177.4178.40000113.6D115 R116 Y117D115-S119 WeakPolarHBondContact O-CB 3.08Å; D115-S119 PolarHBondContact O-N 3.3Å; R116-S119 PolarHBondContact O-N 3.33Å; Y117-S119 PolarHBondContact O-N 2.89Å
120V88Confident91.9Very high52 Ų5261.4 Ų61.432%0.31530%0.302SS..Hα-helixtrans-90.8-47.2-178.6172.10000111R116 Y117 L118 I204 A207R116-V120 WeakPolarHBondContact O-CB 3.44Å; R116-V120 VanDerWaalsContact O-CG2 3.26Å; R116-V120 WeakPolarHBondContact O-CG2 3.42Å; R116-V120 PolarHBondContact O-N 3.22Å; Y117-V120 PolarHBondContact O-N 2.72Å; L118-V120 VanDerWaalsContact C-N 3.29Å; L118-V120 PolarHBondContact O-N 2.83Å; V120-I204 HydrophobicContact CG2-CG2 4.4Å; V120-A207 HydrophobicContact CG1-CB 3.76Å
121C90.3Very high91.8Very high38 Ų3861.6 Ų61.626%0.25731%0.307SS..Hα-helixtrans-77-36.4-176.2-62.10000112.2Y117 P123Y117-C121 WeakPolarHBondContact CE2-SG 3.47Å; Y117-C121 WeakPolarHBondContact O-CB 3.43Å; Y117-C121 PolarHBondContact O-N 3.43Å; Y117-C121 PolarHBondContact O-SG 3.34Å; C121-P123 VanDerWaalsContact C-CD 3.46Å; C121-P123 WeakPolarHBondContact O-CD 3.41Å
122Y90Very high91.7Very high81 Ų8163.9 Ų63.932%0.31832%0.319SS..  trans-128.655.9-173.6-53.7-75.5000112.9Y117 L118 A124 K125 Y126Y117-Y122 HydrophobicContact CE1-CE2 4.18Å; L118-Y122 HydrophobicContact CD2-CD2 4.19Å; L118-Y122 CarbonylContact O-C 3.59Å; L118-Y122 WeakPolarHBondContact O-CA 3.41Å; L118-Y122 PolarHBondContact O-N 2.94Å; Y122-A124 VanDerWaalsContact C-N 3.33Å; Y122-A124 PolarHBondContact O-N 3.45Å; Y122-K125 PolarHBondContact O-N 3.07Å; Y122-Y126 WeakPolarHBondContact O-CB 3.31Å; Y122-Y126 PolarHBondContact O-N 2.92Å
123P89Confident91.7Very high76 Ų7667.3 Ų67.349%0.49434%0.344SS..Hα-helixtrans-60.7-34.9-167.324-35.3000114.8C121 R127C121-P123 VanDerWaalsContact C-CD 3.46Å; C121-P123 WeakPolarHBondContact O-CD 3.41Å; P123-R127 VanDerWaalsContact O-CB 3.23Å; P123-R127 WeakPolarHBondContact O-CB 3.34Å; P123-R127 PolarHBondContact O-N 2.66Å
124A90.1Very high91.8Very high68 Ų6871.1 Ų71.156%0.56236%0.361SS*.Hα-helixtrans-77.8-54.8179.300000111.4Y122 Y126 R127 H128Y122-A124 VanDerWaalsContact C-N 3.33Å; Y122-A124 PolarHBondContact O-N 3.45Å; A124-Y126 VanDerWaalsContact C-N 3.34Å; A124-Y126 PolarHBondContact O-N 2.98Å; A124-R127 PolarHBondContact O-N 3.3Å; A124-H128 PolarHBondContact O-CD2 3.33Å; A124-H128 PolarHBondContact O-N 2.96Å
125K92.7Very high91.9Very high110 Ų11068.9 Ų68.948%0.47835%0.347SS..Hα-helixtrans-58.1-46.9179-170.2177.8-176.3-179.30110.8Y122 R127 H128 W129 Y338Y122-K125 PolarHBondContact O-N 3.07Å; K125-R127 PolarHBondContact O-N 3.23Å; K125-H128 PolarHBondContact O-N 3.34Å; K125-W129 WeakPolarHBondContact O-CB 3.31Å; K125-W129 PolarHBondContact O-N 3.36Å; K125-Y338 PolarHBondContact NZ-OH 3Å
126Y92.6Very high92Very high19 Ų1973 Ų738%0.07537%0.366CS..Hα-helixtrans-62.7-44.5179.4-171.8-114.2000112.1D115 L118 Y122 A124 H128 W129 Q130D115-Y126 PolarHBondContact OD1-OH 2.88Å; L118-Y126 HydrophobicContact CB-CD1 4.37Å; L118-Y126 HydrophobicContact CB-CD2 3.46Å; L118-Y126 VanDerWaalsContact CB-CD2 3.46Å; L118-Y126 HydrophobicContact CB-CE2 3.67Å; L118-Y126 HydrophobicContact CB-CG 3.84Å; L118-Y126 HydrophobicContact CD1-CD2 3.91Å; L118-Y126 HydrophobicContact CD1-CE2 3.59Å; L118-Y126 HydrophobicContact CG-CD2 4.29Å; L118-Y126 HydrophobicContact CG-CE2 4.3Å; Y122-Y126 WeakPolarHBondContact O-CB 3.31Å; Y122-Y126 PolarHBondContact O-N 2.92Å; A124-Y126 VanDerWaalsContact C-N 3.34Å; A124-Y126 PolarHBondContact O-N 2.98Å; Y126-H128 VanDerWaalsContact C-N 3.28Å; Y126-H128 PolarHBondContact O-N 3.26Å; Y126-W129 AromaticContact CD2-CE3 3.99Å; Y126-W129 HydrophobicContact CD2-CE3 3.99Å; Y126-W129 HydrophobicContact CD2-CZ3 4.42Å; Y126-W129 AromaticContact CE2-CE3 3.78Å; Y126-W129 HydrophobicContact CE2-CE3 3.78Å; Y126-W129 AromaticContact CE2-CZ3 3.78Å; Y126-W129 HydrophobicContact CE2-CZ3 3.78Å; Y126-W129 PolarHBondContact O-N 3Å; Y126-W129 VanDerWaalsContact O-N 3.13Å; Y126-Q130 HydrophobicContact CE1-CB 4.36Å; Y126-Q130 VanDerWaalsContact CE1-CD 3.45Å; Y126-Q130 HydrophobicContact CE1-CG 3.97Å; Y126-Q130 HydrophobicContact CE2-CG 4.36Å; Y126-Q130 VanDerWaalsContact O-CB 3.26Å; Y126-Q130 WeakPolarHBondContact O-CB 3.49Å; Y126-Q130 PolarHBondContact O-N 3.04Å; Y126-Q130 PolarHBondContact OH-NE2 3.43Å
127R90Very high92.3Very high192 Ų19273.3 Ų73.373%0.72538%0.38SS*.Hα-helixtrans-58.4-38.9178179.7-178.8-65.1179.82112.9P123 A124 K125P123-R127 VanDerWaalsContact O-CB 3.23Å; P123-R127 WeakPolarHBondContact O-CB 3.34Å; P123-R127 PolarHBondContact O-N 2.66Å; A124-R127 PolarHBondContact O-N 3.3Å; K125-R127 PolarHBondContact O-N 3.23Å
128H91.1Very high92.5Very high167 Ų16774.3 Ų74.377%0.77339%0.388SS*.Hα-helixtrans-76.3-31.6177.8-75.6-72.8000112.7A124 K125 Y126A124-H128 PolarHBondContact O-CD2 3.33Å; A124-H128 PolarHBondContact O-N 2.96Å; K125-H128 PolarHBondContact O-N 3.34Å; Y126-H128 VanDerWaalsContact C-N 3.28Å; Y126-H128 PolarHBondContact O-N 3.26Å
129W91.9Very high92.7Very high105 Ų10573.1 Ų73.140%0.39838%0.383SS..Hα-helixtrans-77.4-34.3178.2178.292.5000113.1K125 Y126 S131 K134K125-W129 WeakPolarHBondContact O-CB 3.31Å; K125-W129 PolarHBondContact O-N 3.36Å; Y126-W129 AromaticContact CD2-CE3 3.99Å; Y126-W129 HydrophobicContact CD2-CE3 3.99Å; Y126-W129 HydrophobicContact CD2-CZ3 4.42Å; Y126-W129 AromaticContact CE2-CE3 3.78Å; Y126-W129 HydrophobicContact CE2-CE3 3.78Å; Y126-W129 AromaticContact CE2-CZ3 3.78Å; Y126-W129 HydrophobicContact CE2-CZ3 3.78Å; Y126-W129 PolarHBondContact O-N 3Å; Y126-W129 VanDerWaalsContact O-N 3.13Å; W129-S131 PolarHBondContact O-N 3.41Å; W129-K134 HydrophobicContact CD2-CD 4.16Å; W129-K134 HydrophobicContact CE3-CD 4.47Å; W129-K134 HydrophobicContact CH2-CD 4.2Å; W129-K134 HydrophobicContact CZ2-CD 3.86Å; W129-K134 HydrophobicContact CZ3-CD 4.49Å; W129-K134 WeakPolarHBondContact O-CD 3.27Å; W129-K134 PolarHBondContact O-NZ 3.38Å
130Q90.5Very high93.1Very high51 Ų5174.5 Ų74.524%0.23839%0.389CS..  trans-69.3121.3-171.5-152.1-170.220.100111L51 D115 Y126 V135L51-Q130 HydrophobicContact CB-CG 4.45Å; L51-Q130 HydrophobicContact CD2-CB 4.21Å; L51-Q130 HydrophobicContact CD2-CG 3.54Å; D115-Q130 PolarHBondContact OD1-NE2 3.18Å; Y126-Q130 HydrophobicContact CE1-CB 4.36Å; Y126-Q130 VanDerWaalsContact CE1-CD 3.45Å; Y126-Q130 HydrophobicContact CE1-CG 3.97Å; Y126-Q130 HydrophobicContact CE2-CG 4.36Å; Y126-Q130 VanDerWaalsContact O-CB 3.26Å; Y126-Q130 WeakPolarHBondContact O-CB 3.49Å; Y126-Q130 PolarHBondContact O-N 3.04Å; Y126-Q130 PolarHBondContact OH-NE2 3.43Å; Q130-V135 HydrophobicContact CG-CG2 4.39Å
131S93.5Very high93.6Very high44 Ų4473.9 Ų73.931%0.30839%0.389SS..  trans-134157.2173.973.80000110.7L51 W129 S133 K134 V135L51-S131 VanDerWaalsContact CD2-C 3.44Å; W129-S131 PolarHBondContact O-N 3.41Å; S131-S133 VanDerWaalsContact C-N 3.32Å; S131-S133 PolarHBondContact O-N 2.9Å; S131-K134 PolarHBondContact O-N 2.92Å; S131-K134 WeakPolarHBondContact OG-CG 3.44Å; S131-K134 PolarHBondContact OG-N 2.86Å; S131-V135 PolarHBondContact O-N 2.97Å
132L93.5Very high93.9Very high76 Ų7672.3 Ų72.340%0.39838%0.379SS..Hα-helixtrans-59.2-44.5180178.460.6000111.4H54 K134 V135 Q136H54-L132 WeakPolarHBondContact CE1-CD1 3.48Å; H54-L132 WeakPolarHBondContact NE2-CD1 3.21Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.93Å; L132-V135 PolarHBondContact O-N 3.36Å; L132-Q136 HydrophobicContact CD1-CG 4.03Å; L132-Q136 HydrophobicContact CG-CG 4.26Å; L132-Q136 WeakPolarHBondContact O-CB 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 3.42Å; L132-Q136 PolarHBondContact O-N 3.31Å
133S94.7Very high94.3Very high85 Ų8571.3 Ų71.359%0.59437%0.374SS*.Hα-helixtrans-59.4-41.1-179.8-46.40000112.3S131 Q136 A137S131-S133 VanDerWaalsContact C-N 3.32Å; S131-S133 PolarHBondContact O-N 2.9Å; S133-Q136 PolarHBondContact O-N 2.86Å; S133-A137 WeakPolarHBondContact O-CB 3.47Å; S133-A137 PolarHBondContact O-N 3.47Å
134K95.7Very high94.7Very high79 Ų7972 Ų7234%0.34337%0.374SS..Hα-helixtrans-65.8-42.8176.9-70.7174.7-178177.50111.8W129 S131 L132 A137 L138W129-K134 HydrophobicContact CD2-CD 4.16Å; W129-K134 HydrophobicContact CE3-CD 4.47Å; W129-K134 HydrophobicContact CH2-CD 4.2Å; W129-K134 HydrophobicContact CZ2-CD 3.86Å; W129-K134 HydrophobicContact CZ3-CD 4.49Å; W129-K134 WeakPolarHBondContact O-CD 3.27Å; W129-K134 PolarHBondContact O-NZ 3.38Å; S131-K134 PolarHBondContact O-N 2.92Å; S131-K134 WeakPolarHBondContact OG-CG 3.44Å; S131-K134 PolarHBondContact OG-N 2.86Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.93Å; K134-A137 PolarHBondContact O-N 2.93Å; K134-L138 WeakPolarHBondContact O-CG 3.46Å; K134-L138 PolarHBondContact O-N 3.4Å
135V96.1Very high95.1Very high2 Ų273.5 Ų73.51%0.01237%0.371CS..Hα-helixtrans-66.1-41.7177.3173.10000111.2L51 H54 F55 Q130 S131 L132 A137 L138 V139L51-V135 HydrophobicContact CB-CG2 4.28Å; L51-V135 HydrophobicContact CD2-CG2 4.14Å; L51-V135 HydrophobicContact CG-CG2 4.47Å; H54-V135 HydrophobicContact CB-CG1 3.78Å; F55-V135 HydrophobicContact CE1-CG1 4.13Å; F55-V135 HydrophobicContact CE2-CG1 4.11Å; F55-V135 HydrophobicContact CZ-CG1 3.82Å; F55-V135 HydrophobicContact CZ-CG2 4.48Å; Q130-V135 HydrophobicContact CG-CG2 4.39Å; S131-V135 PolarHBondContact O-N 2.97Å; L132-V135 PolarHBondContact O-N 3.36Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-L138 PolarHBondContact O-N 3.14Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 3.11Å
136Q95.3Very high95.3Very high90 Ų9068.3 Ų68.342%0.42135%0.349SS..Hα-helixtrans-64-38.5174.8-74.1176.7-40.200112.1L132 S133 V139 T140L132-Q136 HydrophobicContact CD1-CG 4.03Å; L132-Q136 HydrophobicContact CG-CG 4.26Å; L132-Q136 WeakPolarHBondContact O-CB 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 3.42Å; L132-Q136 PolarHBondContact O-N 3.31Å; S133-Q136 PolarHBondContact O-N 2.86Å; Q136-V139 PolarHBondContact O-N 2.87Å; Q136-T140 WeakPolarHBondContact O-CB 3.29Å; Q136-T140 PolarHBondContact O-N 2.96Å; Q136-T140 PolarHBondContact O-OG1 3.08Å
137A97.2Very high95.5Very high58 Ų5870 Ų7048%0.47936%0.361SS..Hα-helixtrans-62.2-44.4173.800000111.5S133 K134 V135 T140 A141S133-A137 WeakPolarHBondContact O-CB 3.47Å; S133-A137 PolarHBondContact O-N 3.47Å; K134-A137 PolarHBondContact O-N 2.93Å; V135-A137 VanDerWaalsContact C-N 3.34Å; A137-T140 PolarHBondContact O-N 3.38Å; A137-A141 VanDerWaalsContact O-CB 3.31Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.44Å
138L97.3Very high95.9Very high70 Ų7066 Ų6637%0.36635%0.352SS..Hα-helixtrans-61.8-43.9175.9-70.6171.8000112.6F55 L111 K134 V135 S142F55-L138 HydrophobicContact CE1-CB 4.23Å; F55-L138 HydrophobicContact CZ-CD1 4.3Å; L111-L138 HydrophobicContact CD1-CB 4.39Å; L111-L138 HydrophobicContact CD2-CB 4.36Å; L111-L138 HydrophobicContact CD2-CD1 4.4Å; L111-L138 HydrophobicContact CD2-CD2 4.29Å; K134-L138 WeakPolarHBondContact O-CG 3.46Å; K134-L138 PolarHBondContact O-N 3.4Å; V135-L138 PolarHBondContact O-N 3.14Å; L138-S142 PolarHBondContact O-N 2.97Å
139V97.7Very high96.1Very high24 Ų2460.4 Ų60.415%0.14533%0.327CS..Hα-helixtrans-63.5-46.9174.7172.40000110.3F55 V135 Q136 A141 S142 W143F55-V139 HydrophobicContact CD1-CG2 3.64Å; F55-V139 HydrophobicContact CE1-CG2 3.82Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 3.11Å; Q136-V139 PolarHBondContact O-N 2.87Å; V139-A141 VanDerWaalsContact C-N 3.32Å; V139-A141 PolarHBondContact O-N 2.94Å; V139-S142 PolarHBondContact O-N 3.13Å; V139-S142 VanDerWaalsContact O-N 3.12Å; V139-S142 PolarHBondContact O-OG 3.17Å; V139-W143 VanDerWaalsContact O-CD1 3.25Å; V139-W143 PolarHBondContact O-N 3.1Å
140T98Very high96.3Very high78 Ų7856 Ų5648%0.47931%0.311SS..Hα-helixtrans-61.5-43.2-179.6-53.20000111.1Q136 A137 S142 W143 L144Q136-T140 WeakPolarHBondContact O-CB 3.29Å; Q136-T140 PolarHBondContact O-N 2.96Å; Q136-T140 PolarHBondContact O-OG1 3.08Å; A137-T140 PolarHBondContact O-N 3.38Å; T140-S142 VanDerWaalsContact C-N 3.32Å; T140-S142 PolarHBondContact O-N 3.14Å; T140-W143 PolarHBondContact O-N 3.09Å; T140-L144 HydrophobicContact CG2-CD1 3.85Å; T140-L144 HydrophobicContact CG2-CG 4.23Å; T140-L144 WeakPolarHBondContact O-CG 3.44Å; T140-L144 PolarHBondContact O-N 2.93Å
141A98Very high96.5Very high38 Ų3854.4 Ų54.431%0.31431%0.308SS..Hα-helixtrans-61.5-39.1175.100000112.1A137 V139 W143 L144 I145A137-A141 VanDerWaalsContact O-CB 3.31Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.44Å; V139-A141 VanDerWaalsContact C-N 3.32Å; V139-A141 PolarHBondContact O-N 2.94Å; A141-W143 PolarHBondContact O-N 3.05Å; A141-L144 PolarHBondContact O-N 2.98Å; A141-I145 HydrophobicContact CB-CD1 4.27Å; A141-I145 WeakPolarHBondContact O-CB 3.49Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.44Å; A141-I145 PolarHBondContact O-N 2.98Å
142S97.4Very high96.6Very high5 Ų557.1 Ų57.14%0.03532%0.318CS..Hα-helixtrans-66.5-19.3178.374.20000113.7V104 L138 V139 T140 P146V104-S142 WeakPolarHBondContact CG2-O 3.46Å; L138-S142 PolarHBondContact O-N 2.97Å; V139-S142 PolarHBondContact O-N 3.13Å; V139-S142 VanDerWaalsContact O-N 3.12Å; V139-S142 PolarHBondContact O-OG 3.17Å; T140-S142 VanDerWaalsContact C-N 3.32Å; T140-S142 PolarHBondContact O-N 3.14Å; S142-P146 WeakPolarHBondContact O-CD 3.31Å; S142-P146 WeakPolarHBondContact O-CG 3.4Å
143W98.4Very high96.6Very high60 Ų6055.2 Ų55.223%0.22731%0.308CS..Hα-helixtrans-90.1-46.3171.8-7778.8000112.4S58 V61 I65 L101 V104 V139 T140 A141 P146 T147S58-W143 PolarHBondContact OG-NE1 3.3Å; V61-W143 HydrophobicContact CB-CZ2 4.3Å; V61-W143 HydrophobicContact CG1-CH2 3.94Å; V61-W143 HydrophobicContact CG1-CZ2 3.98Å; I65-W143 HydrophobicContact CD1-CH2 4.17Å; I65-W143 HydrophobicContact CD1-CZ3 4.48Å; L101-W143 HydrophobicContact CD2-CH2 3.86Å; L101-W143 HydrophobicContact CD2-CZ3 3.82Å; V104-W143 HydrophobicContact CG1-CD2 3.96Å; V104-W143 HydrophobicContact CG1-CG 4.35Å; V104-W143 HydrophobicContact CG1-CH2 4.36Å; V104-W143 HydrophobicContact CG1-CZ2 3.8Å; V104-W143 HydrophobicContact CG2-CD2 3.99Å; V104-W143 HydrophobicContact CG2-CE3 4.09Å; V104-W143 HydrophobicContact CG2-CG 4.18Å; V139-W143 VanDerWaalsContact O-CD1 3.25Å; V139-W143 PolarHBondContact O-N 3.1Å; T140-W143 PolarHBondContact O-N 3.09Å; A141-W143 PolarHBondContact O-N 3.05Å; W143-P146 WeakPolarHBondContact O-CD 3.16Å; W143-T147 WeakPolarHBondContact O-CB 3.46Å; W143-T147 PolarHBondContact O-N 3.39Å; W143-T147 VanDerWaalsContact O-N 3.15Å; W143-T147 PolarHBondContact O-OG1 3.31Å
144L98.3Very high96.6Very high91 Ų9151.4 Ų51.448%0.47628%0.28SS..Hα-helixtrans-66.7-41.9-176.8-67.5179.3000112.4T140 A141 T147 M148T140-L144 HydrophobicContact CG2-CD1 3.85Å; T140-L144 HydrophobicContact CG2-CG 4.23Å; T140-L144 WeakPolarHBondContact O-CG 3.44Å; T140-L144 PolarHBondContact O-N 2.93Å; A141-L144 PolarHBondContact O-N 2.98Å; L144-T147 PolarHBondContact O-N 3.4Å; L144-M148 WeakPolarHBondContact O-CB 3.28Å; L144-M148 WeakPolarHBondContact O-CG 3.35Å; L144-M148 PolarHBondContact O-N 2.88Å
145I97Very high96.6Very high100 Ų10051.6 Ų51.651%0.51328%0.282SS..Hα-helixtrans-60.6-53.1-177.6-66.8166.1000111.1F107 A141 M148 L149F107-I145 HydrophobicContact CE2-CB 4.41Å; F107-I145 HydrophobicContact CE2-CG2 4.04Å; A141-I145 HydrophobicContact CB-CD1 4.27Å; A141-I145 WeakPolarHBondContact O-CB 3.49Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.44Å; A141-I145 PolarHBondContact O-N 2.98Å; I145-M148 PolarHBondContact O-N 3.41Å; I145-L149 VanDerWaalsContact O-CB 3.31Å; I145-L149 WeakPolarHBondContact O-CB 3.31Å; I145-L149 PolarHBondContact O-N 2.91Å
146P97.3Very high96.5Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-61.7-42.1175.1-28.639.9000114.1T100 L103 V104 F107 S142 W143 M148 L149 F150T100-P146 HydrophobicContact CG2-CB 4.15Å; L103-P146 HydrophobicContact CB-CB 3.99Å; L103-P146 HydrophobicContact CB-CG 4.09Å; L103-P146 HydrophobicContact CD2-CB 3.81Å; L103-P146 HydrophobicContact CD2-CG 3.77Å; L103-P146 HydrophobicContact CG-CB 4.04Å; L103-P146 HydrophobicContact CG-CG 3.73Å; V104-P146 HydrophobicContact CG2-CB 4.36Å; V104-P146 HydrophobicContact CG2-CG 4.18Å; F107-P146 HydrophobicContact CD2-CG 3.74Å; F107-P146 HydrophobicContact CE2-CG 3.66Å; S142-P146 WeakPolarHBondContact O-CD 3.31Å; S142-P146 WeakPolarHBondContact O-CG 3.4Å; W143-P146 WeakPolarHBondContact O-CD 3.16Å; P146-M148 VanDerWaalsContact C-N 3.33Å; P146-M148 PolarHBondContact O-N 3.23Å; P146-L149 PolarHBondContact O-N 3.14Å; P146-F150 HydrophobicContact CB-CD2 4.44Å; P146-F150 WeakPolarHBondContact O-CD2 3.39Å; P146-F150 PolarHBondContact O-N 3.35Å
147T97.7Very high96.4Very high54 Ų5449.2 Ų49.233%0.33127%0.271SS..Hα-helixtrans-61.2-43.8-179.1-560000111T100 W143 L144 G151T100-T147 VanDerWaalsContact CG2-OG1 3.26Å; T100-T147 WeakPolarHBondContact CG2-OG1 3.48Å; W143-T147 WeakPolarHBondContact O-CB 3.46Å; W143-T147 PolarHBondContact O-N 3.39Å; W143-T147 VanDerWaalsContact O-N 3.15Å; W143-T147 PolarHBondContact O-OG1 3.31Å; L144-T147 PolarHBondContact O-N 3.4Å; T147-G151 VanDerWaalsContact O-CA 3.31Å; T147-G151 WeakPolarHBondContact O-CA 3.31Å; T147-G151 PolarHBondContact O-N 3.26Å
148M97.3Very high96.1Very high110 Ų11047.2 Ų47.254%0.54225%0.253SS..Hα-helixtrans-68.4-45.4178.3-67.6-62.1152.600111.1L144 I145 P146 I152L144-M148 WeakPolarHBondContact O-CB 3.28Å; L144-M148 WeakPolarHBondContact O-CG 3.35Å; L144-M148 PolarHBondContact O-N 2.88Å; I145-M148 PolarHBondContact O-N 3.41Å; P146-M148 VanDerWaalsContact C-N 3.33Å; P146-M148 PolarHBondContact O-N 3.23Å; M148-I152 WeakPolarHBondContact O-CB 3.41Å; M148-I152 WeakPolarHBondContact O-CD1 3.47Å; M148-I152 WeakPolarHBondContact O-CG1 3.43Å; M148-I152 PolarHBondContact O-N 3.45Å
149L94.9Very high95.9Very high48 Ų4852.9 Ų52.925%0.25127%0.27SS..Hα-helixtrans-57.2-58.9178.2175.371.1000111.6L103 I145 P146 I152 M153 Y189L103-L149 HydrophobicContact CD2-CD2 4.12Å; I145-L149 VanDerWaalsContact O-CB 3.31Å; I145-L149 WeakPolarHBondContact O-CB 3.31Å; I145-L149 PolarHBondContact O-N 2.91Å; P146-L149 PolarHBondContact O-N 3.14Å; L149-I152 PolarHBondContact O-N 2.98Å; L149-M153 WeakPolarHBondContact O-CB 3.49Å; L149-M153 WeakPolarHBondContact O-CG 3.34Å; L149-M153 PolarHBondContact O-N 3.4Å; L149-Y189 HydrophobicContact CD2-CE1 4.13Å; L149-Y189 HydrophobicContact CD2-CE2 3.63Å; L149-Y189 WeakPolarHBondContact CD2-OH 3.45Å
150F95.7Very high95.7Very high13 Ų1359.1 Ų59.16%0.05730%0.296CS..Hα-helixtrans-75.3-29.2-176.5-67.8-62.1000112.8Y99 L103 P146 M153 I154 F175 Y189Y99-F150 HydrophobicContact CD1-CE1 4.37Å; Y99-F150 HydrophobicContact CG-CD1 4.21Å; Y99-F150 HydrophobicContact CG-CE1 4.23Å; Y99-F150 VanDerWaalsContact O-CE2 3.31Å; Y99-F150 WeakPolarHBondContact O-CE2 3.17Å; L103-F150 HydrophobicContact CB-CE2 3.85Å; L103-F150 HydrophobicContact CD2-CD2 4.47Å; L103-F150 HydrophobicContact CD2-CE2 3.55Å; L103-F150 HydrophobicContact CD2-CZ 4.15Å; L103-F150 HydrophobicContact CG-CE2 4.33Å; P146-F150 HydrophobicContact CB-CD2 4.44Å; P146-F150 WeakPolarHBondContact O-CD2 3.39Å; P146-F150 PolarHBondContact O-N 3.35Å; F150-M153 PolarHBondContact O-N 2.92Å; F150-I154 HydrophobicContact CB-CD1 4.24Å; F150-I154 VanDerWaalsContact O-CB 3.27Å; F150-I154 WeakPolarHBondContact O-CB 3.2Å; F150-I154 VanDerWaalsContact O-CG1 3.31Å; F150-I154 WeakPolarHBondContact O-CG1 3.35Å; F150-I154 PolarHBondContact O-N 3.44Å; F150-F175 HydrophobicContact CD1-CZ 4.34Å; F150-Y189 HydrophobicContact CZ-CD2 4.44Å; F150-Y189 HydrophobicContact CZ-CE2 4.35Å
151G96.2Very high95.4Very high17 Ų1758 Ų5818%0.17529%0.289CS..Hα-helixtrans-59.9-49.4170.900000111.6T147 F155T147-G151 VanDerWaalsContact O-CA 3.31Å; T147-G151 WeakPolarHBondContact O-CA 3.31Å; T147-G151 PolarHBondContact O-N 3.26Å; G151-F155 WeakPolarHBondContact O-CB 3.43Å; G151-F155 WeakPolarHBondContact O-CD2 3.35Å; G151-F155 PolarHBondContact O-N 3.09Å; G151-F155 VanDerWaalsContact O-N 3.11Å
152I95.6Very high95Very high102 Ų10263.8 Ų63.852%0.52332%0.315SS..Hα-helixtrans-64-45.1176.6-67.5166.7000110.5M148 L149 G156 F160M148-I152 WeakPolarHBondContact O-CB 3.41Å; M148-I152 WeakPolarHBondContact O-CD1 3.47Å; M148-I152 WeakPolarHBondContact O-CG1 3.43Å; M148-I152 PolarHBondContact O-N 3.45Å; L149-I152 PolarHBondContact O-N 2.98Å; I152-G156 WeakPolarHBondContact O-CA 3.06Å; I152-G156 PolarHBondContact O-N 3.02Å; I152-F160 HydrophobicContact CG2-CE2 3.98Å
153M93.5Very high94.5Very high36 Ų3666.5 Ų66.518%0.17733%0.331CS..Hα-helixtrans-65.6-43.2-178.8-69-70.4-68.600112.1L149 F150 W157 F175 V181L149-M153 WeakPolarHBondContact O-CB 3.49Å; L149-M153 WeakPolarHBondContact O-CG 3.34Å; L149-M153 PolarHBondContact O-N 3.4Å; F150-M153 PolarHBondContact O-N 2.92Å; M153-W157 HydrophobicContact CE-CE3 3.64Å; M153-W157 HydrophobicContact CE-CZ3 3.52Å; M153-W157 WeakPolarHBondContact O-CB 3.45Å; M153-W157 PolarHBondContact O-N 3.31Å; M153-W157 VanDerWaalsContact O-N 3.13Å; M153-W157 HydrophobicContact SD-CE3 4.21Å; M153-W157 HydrophobicContact SD-CZ3 4.35Å; M153-F175 HydrophobicContact CB-CD1 4Å; M153-F175 HydrophobicContact CB-CE1 3.93Å; M153-F175 HydrophobicContact CE-CB 3.66Å; M153-F175 HydrophobicContact CE-CD1 4.03Å; M153-F175 HydrophobicContact CE-CD2 4.14Å; M153-F175 HydrophobicContact CE-CG 3.69Å; M153-V181 HydrophobicContact CE-CG1 4.05Å
154I94.8Very high94Very high4 Ų469.9 Ų69.92%0.02136%0.359CS..Hα-helixtrans-79-42.1-173.5-70.4165.3000112.2K92 L95 C96 Y99 F150 F175K92-I154 HydrophobicContact CB-CG2 3.97Å; K92-I154 HydrophobicContact CG-CG2 4.16Å; L95-I154 HydrophobicContact CB-CD1 4.01Å; C96-I154 HydrophobicContact CB-CD1 3.76Å; C96-I154 HydrophobicContact CB-CG2 4.47Å; C96-I154 VanDerWaalsContact N-CD1 3.3Å; Y99-I154 HydrophobicContact CD2-CD1 4.01Å; F150-I154 HydrophobicContact CB-CD1 4.24Å; F150-I154 VanDerWaalsContact O-CB 3.27Å; F150-I154 WeakPolarHBondContact O-CB 3.2Å; F150-I154 VanDerWaalsContact O-CG1 3.31Å; F150-I154 WeakPolarHBondContact O-CG1 3.35Å; F150-I154 PolarHBondContact O-N 3.44Å; I154-F175 HydrophobicContact CG1-CE1 3.7Å; I154-F175 HydrophobicContact CG1-CZ 4.41Å
155F95Very high93.5Very high84 Ų8468.5 Ų68.537%0.36836%0.356SS..Hα-helixtrans-83.9-30.5-179.9-68.5-84.2000112.2K92 I93 C96 G151 Y159K92-F155 HydrophobicContact CB-CE1 3.89Å; K92-F155 HydrophobicContact CB-CZ 4.07Å; K92-F155 HydrophobicContact CD-CD1 4.27Å; K92-F155 HydrophobicContact CD-CE1 4.31Å; I93-F155 HydrophobicContact CG1-CZ 4.3Å; C96-F155 HydrophobicContact CB-CE2 4.01Å; G151-F155 WeakPolarHBondContact O-CB 3.43Å; G151-F155 WeakPolarHBondContact O-CD2 3.35Å; G151-F155 PolarHBondContact O-N 3.09Å; G151-F155 VanDerWaalsContact O-N 3.11Å; F155-Y159 WeakPolarHBondContact O-CD2 3.38Å; F155-Y159 VanDerWaalsContact O-CE2 3.32Å; F155-Y159 WeakPolarHBondContact O-CE2 3.31Å
156G94Very high93Very high9 Ų964.2 Ų64.29%0.09334%0.335CS..Hα-helixtrans-94.3-23.6-17400000115.9I152 N158 Y159 F160I152-G156 WeakPolarHBondContact O-CA 3.06Å; I152-G156 PolarHBondContact O-N 3.02Å; G156-N158 PolarHBondContact O-N 3.48Å; G156-Y159 WeakPolarHBondContact O-CA 3.31Å; G156-Y159 WeakPolarHBondContact O-CB 3.28Å; G156-Y159 PolarHBondContact O-N 2.87Å; G156-F160 WeakPolarHBondContact O-CD2 3.34Å; G156-F160 PolarHBondContact O-N 3.21Å; G156-F160 VanDerWaalsContact O-N 3.16Å
157W93.6Very high92.6Very high32 Ų3267.2 Ų67.212%0.12136%0.355CS..Hα-helixtrans-49.2-54.7-169.8-178.1-97.4000114M153 Y159 F160 T161 P174 F175 D178 V181M153-W157 HydrophobicContact CE-CE3 3.64Å; M153-W157 HydrophobicContact CE-CZ3 3.52Å; M153-W157 WeakPolarHBondContact O-CB 3.45Å; M153-W157 PolarHBondContact O-N 3.31Å; M153-W157 VanDerWaalsContact O-N 3.13Å; M153-W157 HydrophobicContact SD-CE3 4.21Å; M153-W157 HydrophobicContact SD-CZ3 4.35Å; W157-Y159 PolarHBondContact O-N 3.27Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; W157-F160 PolarHBondContact O-N 3.32Å; W157-T161 HydrophobicContact CD2-CG2 3.88Å; W157-T161 HydrophobicContact CE3-CG2 4.2Å; W157-T161 HydrophobicContact CG-CG2 4.42Å; W157-T161 HydrophobicContact CH2-CG2 4.11Å; W157-T161 HydrophobicContact CZ2-CG2 3.79Å; W157-T161 HydrophobicContact CZ3-CG2 4.31Å; W157-T161 PolarHBondContact O-N 3.02Å; W157-T161 PolarHBondContact O-OG1 3.47Å; W157-P174 HydrophobicContact CB-CG 4.12Å; W157-P174 VanDerWaalsContact CD1-CG 3.48Å; W157-P174 HydrophobicContact CG-CB 4.41Å; W157-P174 HydrophobicContact CG-CG 3.95Å; W157-F175 HydrophobicContact CD2-CB 3.58Å; W157-F175 HydrophobicContact CE3-CB 3.52Å; W157-F175 HydrophobicContact CG-CB 4.32Å; W157-F175 HydrophobicContact CH2-CB 3.71Å; W157-F175 HydrophobicContact CZ2-CB 3.76Å; W157-F175 HydrophobicContact CZ3-CB 3.59Å; W157-D178 HydrophobicContact CZ2-CB 4.35Å; W157-V181 HydrophobicContact CH2-CB 4.36Å; W157-V181 HydrophobicContact CH2-CG1 4.25Å; W157-V181 HydrophobicContact CH2-CG2 3.93Å; W157-V181 HydrophobicContact CZ3-CG1 4.36Å
158N91.2Very high92.1Very high17 Ų1770.1 Ų70.19%0.09137%0.372CS..Hα-helixtrans-61-28-177.8-64-36.1000113.2G156 N162 T163 T164 S165G156-N158 PolarHBondContact O-N 3.48Å; N158-N162 WeakPolarHBondContact O-CA 3.24Å; N158-N162 PolarHBondContact O-N 3.16Å; N158-N162 VanDerWaalsContact O-N 3.17Å; N158-T163 VanDerWaalsContact CB-O 3.29Å; N158-T163 WeakPolarHBondContact CB-O 3.09Å; N158-T163 PolarHBondContact OD1-O 3.43Å; N158-T163 PolarHBondContact OD1-OG1 3.12Å; N158-T164 PolarHBondContact OD1-O 2.98Å; N158-S165 WeakPolarHBondContact ND2-CA 3.43Å; N158-S165 PolarHBondContact ND2-OG 2.92Å
159Y92.7Very high91.7Very high188 Ų18868.3 Ų68.374%0.73737%0.365SS*.Hα-helixtrans-75.1-34.9175.5-62.9-80.8000112.2F155 G156 W157F155-Y159 WeakPolarHBondContact O-CD2 3.38Å; F155-Y159 VanDerWaalsContact O-CE2 3.32Å; F155-Y159 WeakPolarHBondContact O-CE2 3.31Å; G156-Y159 WeakPolarHBondContact O-CA 3.31Å; G156-Y159 WeakPolarHBondContact O-CB 3.28Å; G156-Y159 PolarHBondContact O-N 2.87Å; W157-Y159 PolarHBondContact O-N 3.27Å; W157-Y159 VanDerWaalsContact O-N 3.15Å
160F92.6Very high91.5Very high155 Ų15570.5 Ų70.568%0.6837%0.373SS*.Hα-helixtrans-86-30.9-177.4-54.4-48000113.2I152 G156 W157I152-F160 HydrophobicContact CG2-CE2 3.98Å; G156-F160 WeakPolarHBondContact O-CD2 3.34Å; G156-F160 PolarHBondContact O-N 3.21Å; G156-F160 VanDerWaalsContact O-N 3.16Å; W157-F160 PolarHBondContact O-N 3.32Å
161T91.6Very high91.4Very high56 Ų5670 Ų7034%0.34437%0.371SS..Hα-helixtrans-100.3-5.9-178.958.90000113.7W157 T163W157-T161 HydrophobicContact CD2-CG2 3.88Å; W157-T161 HydrophobicContact CE3-CG2 4.2Å; W157-T161 HydrophobicContact CG-CG2 4.42Å; W157-T161 HydrophobicContact CH2-CG2 4.11Å; W157-T161 HydrophobicContact CZ2-CG2 3.79Å; W157-T161 HydrophobicContact CZ3-CG2 4.31Å; W157-T161 PolarHBondContact O-N 3.02Å; W157-T161 PolarHBondContact O-OG1 3.47Å; T161-T163 PolarHBondContact O-N 2.92Å; T161-T163 WeakPolarHBondContact OG1-CG2 3.26Å; T161-T163 PolarHBondContact OG1-OG1 2.76Å
162N90.1Very high91.1Very high159 Ų15972.9 Ų72.985%0.8538%0.377SS*.  trans58.725.5-175.4-122.7-5.8000113.4N158N158-N162 WeakPolarHBondContact O-CA 3.24Å; N158-N162 PolarHBondContact O-N 3.16Å; N158-N162 VanDerWaalsContact O-N 3.17Å
163T87.5Confident90.9Very high61 Ų6168.1 Ų68.137%0.37435%0.352SS..PPolyproline II helixtrans-86.4150176.456.40000111.6N158 T161N158-T163 VanDerWaalsContact CB-O 3.29Å; N158-T163 WeakPolarHBondContact CB-O 3.09Å; N158-T163 PolarHBondContact OD1-O 3.43Å; N158-T163 PolarHBondContact OD1-OG1 3.12Å; T161-T163 PolarHBondContact O-N 2.92Å; T161-T163 WeakPolarHBondContact OG1-CG2 3.26Å; T161-T163 PolarHBondContact OG1-OG1 2.76Å
164T87.6Confident90.8Very high131 Ų13167.2 Ų67.280%0.80435%0.349SS*.PPolyproline II helixtrans-69.2146.1174.3500000110.9N158N158-T164 PolarHBondContact OD1-O 2.98Å
165S87.7Confident90.5Very high62 Ų6267 Ų6743%0.43435%0.349SS..PPolyproline II helixtrans-64.5150172.1-67.30000110.2N158N158-S165 WeakPolarHBondContact ND2-CA 3.43Å; N158-S165 PolarHBondContact ND2-OG 2.92Å
166P87.1Confident90.1Very high11 Ų1164.6 Ų64.67%0.07134%0.339CS..PPolyproline II helixtrans-50.1149.3173.2-29.236.5000112.8Y172P166-Y172 HydrophobicContact CB-CD1 4.25Å; P166-Y172 HydrophobicContact CB-CE1 3.67Å; P166-Y172 HydrophobicContact CB-CE2 4.37Å; P166-Y172 HydrophobicContact CG-CD1 4.5Å; P166-Y172 HydrophobicContact CG-CD2 4.34Å; P166-Y172 HydrophobicContact CG-CE1 4.08Å; P166-Y172 HydrophobicContact CG-CE2 3.88Å
167P88Confident89.6Confident63 Ų6368.7 Ų68.741%0.40936%0.359SS..PPolyproline II helixtrans-52.5146.5173.5-26.935.5000112.1Q88 N169 K170Q88-P167 PolarHBondContact NE2-O 3.33Å; P167-N169 VanDerWaalsContact CB-OD1 3.29Å; P167-N169 WeakPolarHBondContact CB-OD1 3.34Å; P167-N169 PolarHBondContact O-N 2.86Å; P167-K170 HydrophobicContact CG-CD 4.47Å; P167-K170 PolarHBondContact O-N 2.96Å
168T87.6Confident89.2Confident114 Ų11470 Ų7070%0.69937%0.368SS*.THydrogen-bonded Turntrans-56.7-27.9-17350.60000114.1Q88Q88-T168 HydrophobicContact CG-CG2 4.39Å; Q88-T168 PolarHBondContact NE2-O 3.37Å
169N88.4Confident89Confident72 Ų7271.9 Ų71.939%0.38538%0.381SS..THydrogen-bonded Turntrans-91.4-1.2-179.466.7-20.6000114.6H83 W84 P167H83-N169 CarbonylContact C-O 3.38Å; H83-N169 WeakPolarHBondContact CA-O 3.49Å; W84-N169 PolarHBondContact N-O 3.18Å; P167-N169 VanDerWaalsContact CB-OD1 3.29Å; P167-N169 WeakPolarHBondContact CB-OD1 3.34Å; P167-N169 PolarHBondContact O-N 2.86Å
170K90.5Very high88.8Confident95 Ų9570.7 Ų70.741%0.41338%0.38SS..BIsolated β-bridgetrans-116.5149.7177.5-66.7-167.7177.1-170.40110.7Q88 P167 Y172Q88-K170 PolarHBondContact NE2-O 2.73Å; P167-K170 HydrophobicContact CG-CD 4.47Å; P167-K170 PolarHBondContact O-N 2.96Å; K170-Y172 HydrophobicContact CB-CD1 4.2Å; K170-Y172 HydrophobicContact CB-CE1 4.12Å; K170-Y172 HydrophobicContact CD-CE1 4.38Å
171C93.5Very high88.6Confident3 Ų365.1 Ų65.12%0.0236%0.359CS..  trans-133.4104.5176.5-176.30000111.4Y77 W84 C91Y77-C171 WeakPolarHBondContact CE2-O 2.87Å; W84-C171 HydrophobicContact CB-CB 3.55Å; W84-C171 HydrophobicContact CD2-CB 3.74Å; W84-C171 HydrophobicContact CE3-CB 4.11Å; W84-C171 HydrophobicContact CG-CB 3.5Å; W84-C171 VanDerWaalsContact CG-CB 3.5Å; C91-C171 VanDerWaalsContact CA-SG 3.53Å; C91-C171 HydrophobicContact CB-CB 3.82Å; C91-C171 WeakPolarHBondContact CB-SG 3.45Å; C91-C171 WeakPolarHBondContact SG-CA 3.31Å; C91-C171 WeakPolarHBondContact SG-CB 3.05Å; C91-C171 CovalentContact SG-SG 2.02Å; C91-C171 PolarHBondContact SG-SG 3.31Å
172Y91.2Very high88.4Confident77 Ų7762.7 Ų62.730%0.30234%0.344SS..  trans-150.5156.6174.661.8-91.6000110.1P166 K170 P174 N177P166-Y172 HydrophobicContact CB-CD1 4.25Å; P166-Y172 HydrophobicContact CB-CE1 3.67Å; P166-Y172 HydrophobicContact CB-CE2 4.37Å; P166-Y172 HydrophobicContact CG-CD1 4.5Å; P166-Y172 HydrophobicContact CG-CD2 4.34Å; P166-Y172 HydrophobicContact CG-CE1 4.08Å; P166-Y172 HydrophobicContact CG-CE2 3.88Å; K170-Y172 HydrophobicContact CB-CD1 4.2Å; K170-Y172 HydrophobicContact CB-CE1 4.12Å; K170-Y172 HydrophobicContact CD-CE1 4.38Å; Y172-P174 WeakPolarHBondContact O-CD 3.22Å; Y172-N177 VanDerWaalsContact CE2-ND2 3.26Å; Y172-N177 WeakPolarHBondContact CE2-ND2 3.49Å
173A91.8Very high88.3Confident1 Ų155.8 Ų55.81%0.00831%0.306CS..  trans-79.8117.3175.500000110.1L95 Y99 F175 L176L95-A173 HydrophobicContact CD1-CB 4.37Å; Y99-A173 HydrophobicContact CE2-CB 3.92Å; A173-F175 VanDerWaalsContact C-N 3.26Å; A173-F175 HydrophobicContact CB-CD1 4.14Å; A173-F175 HydrophobicContact CB-CE1 3.61Å; A173-F175 HydrophobicContact CB-CE2 4.2Å; A173-F175 HydrophobicContact CB-CZ 3.63Å; A173-F175 PolarHBondContact O-N 3.27Å; A173-L176 HydrophobicContact CB-CD1 4.02Å; A173-L176 HydrophobicContact CB-CG 4.02Å; A173-L176 WeakPolarHBondContact O-CB 3.39Å; A173-L176 PolarHBondContact O-N 3.43Å; A173-L176 VanDerWaalsContact O-N 3.09Å
174P89.5Confident88.5Confident17 Ų1756.3 Ų56.311%0.1131%0.313CS..G310 helixtrans-65-27.7-170.925.5-35.4000113.7W157 Y172 L176 N177W157-P174 HydrophobicContact CB-CG 4.12Å; W157-P174 VanDerWaalsContact CD1-CG 3.48Å; W157-P174 HydrophobicContact CG-CB 4.41Å; W157-P174 HydrophobicContact CG-CG 3.95Å; Y172-P174 WeakPolarHBondContact O-CD 3.22Å; P174-L176 PolarHBondContact O-N 3.49Å; P174-N177 WeakPolarHBondContact O-CB 3.29Å; P174-N177 PolarHBondContact O-N 2.81Å
175F88.4Confident88.7Confident1 Ų151 Ų510%0.00428%0.28CS..G310 helixtrans-68.9-16.617760.1-99.9000114.2F150 M153 I154 W157 A173 N177 D178 V181 L185F150-F175 HydrophobicContact CD1-CZ 4.34Å; M153-F175 HydrophobicContact CB-CD1 4Å; M153-F175 HydrophobicContact CB-CE1 3.93Å; M153-F175 HydrophobicContact CE-CB 3.66Å; M153-F175 HydrophobicContact CE-CD1 4.03Å; M153-F175 HydrophobicContact CE-CD2 4.14Å; M153-F175 HydrophobicContact CE-CG 3.69Å; I154-F175 HydrophobicContact CG1-CE1 3.7Å; I154-F175 HydrophobicContact CG1-CZ 4.41Å; W157-F175 HydrophobicContact CD2-CB 3.58Å; W157-F175 HydrophobicContact CE3-CB 3.52Å; W157-F175 HydrophobicContact CG-CB 4.32Å; W157-F175 HydrophobicContact CH2-CB 3.71Å; W157-F175 HydrophobicContact CZ2-CB 3.76Å; W157-F175 HydrophobicContact CZ3-CB 3.59Å; A173-F175 VanDerWaalsContact C-N 3.26Å; A173-F175 HydrophobicContact CB-CD1 4.14Å; A173-F175 HydrophobicContact CB-CE1 3.61Å; A173-F175 HydrophobicContact CB-CE2 4.2Å; A173-F175 HydrophobicContact CB-CZ 3.63Å; A173-F175 PolarHBondContact O-N 3.27Å; F175-N177 VanDerWaalsContact C-N 3.26Å; F175-D178 PolarHBondContact O-N 3.15Å; F175-V181 HydrophobicContact CB-CG1 4.27Å; F175-L185 HydrophobicContact CD2-CD1 3.64Å; F175-L185 HydrophobicContact CE2-CD1 3.69Å
176L87.4Confident88.8Confident32 Ų3248.8 Ų48.817%0.16826%0.262CS..G310 helixtrans-76.1-17.3175.6-63.3-177.8000112.8Y99 A173 P174 D178 N182Y99-L176 WeakPolarHBondContact OH-CD1 3.36Å; A173-L176 HydrophobicContact CB-CD1 4.02Å; A173-L176 HydrophobicContact CB-CG 4.02Å; A173-L176 WeakPolarHBondContact O-CB 3.39Å; A173-L176 PolarHBondContact O-N 3.43Å; A173-L176 VanDerWaalsContact O-N 3.09Å; P174-L176 PolarHBondContact O-N 3.49Å; L176-D178 VanDerWaalsContact C-N 3.28Å; L176-N182 WeakPolarHBondContact CD2-OD1 3.47Å; L176-N182 PolarHBondContact O-ND2 2.86Å
177N83.3Confident89Confident96 Ų9653 Ų5351%0.51328%0.283SS..G310 helixtrans-74.3-22.3174.8-68.5-9000112.1Y172 P174 F175 P179Y172-N177 VanDerWaalsContact CE2-ND2 3.26Å; Y172-N177 WeakPolarHBondContact CE2-ND2 3.49Å; P174-N177 WeakPolarHBondContact O-CB 3.29Å; P174-N177 PolarHBondContact O-N 2.81Å; F175-N177 VanDerWaalsContact C-N 3.26Å; N177-P179 WeakPolarHBondContact O-CD 3.27Å
178D86.4Confident89.2Confident59 Ų5952.2 Ų52.232%0.31628%0.281SS..SBendtrans-80.5111.6170.4-175.3-59.1000108.6W157 F175 L176 F180 V181 N182W157-D178 HydrophobicContact CZ2-CB 4.35Å; F175-D178 PolarHBondContact O-N 3.15Å; L176-D178 VanDerWaalsContact C-N 3.28Å; D178-F180 VanDerWaalsContact C-N 3.26Å; D178-F180 PolarHBondContact O-N 3.28Å; D178-F180 WeakPolarHBondContact OD1-CA 3.49Å; D178-F180 WeakPolarHBondContact OD1-CB 3.4Å; D178-F180 PolarHBondContact OD1-N 2.89Å; D178-V181 HydrophobicContact CB-CB 4.12Å; D178-V181 HydrophobicContact CB-CG2 4.23Å; D178-V181 PolarHBondContact O-N 3.18Å; D178-V181 PolarHBondContact OD1-N 3.2Å; D178-N182 WeakPolarHBondContact O-CB 3.41Å; D178-N182 PolarHBondContact O-N 2.92Å
179P86Confident89.3Confident56 Ų5649.3 Ų49.336%0.36426%0.258SS..Hα-helixtrans-64.5-32.2-174.526.7-34.7000112N177 M183 G528N177-P179 WeakPolarHBondContact O-CD 3.27Å; P179-M183 VanDerWaalsContact O-CB 3.29Å; P179-M183 WeakPolarHBondContact O-CB 3.46Å; P179-M183 WeakPolarHBondContact O-CG 3.41Å; P179-M183 PolarHBondContact O-N 3.23Å; P179-G528 WeakPolarHBondContact CB-O 3.21Å
180F88.1Confident89.6Confident163 Ų16345.9 Ų45.972%0.71524%0.24SC*.Hα-helixtrans-71.2-44.8-179.3-61.7-76.9000111.2D178 S184D178-F180 VanDerWaalsContact C-N 3.26Å; D178-F180 PolarHBondContact O-N 3.28Å; D178-F180 WeakPolarHBondContact OD1-CA 3.49Å; D178-F180 WeakPolarHBondContact OD1-CB 3.4Å; D178-F180 PolarHBondContact OD1-N 2.89Å; F180-S184 VanDerWaalsContact O-CB 3.23Å; F180-S184 WeakPolarHBondContact O-CB 3.2Å; F180-S184 PolarHBondContact O-N 3Å; F180-S184 PolarHBondContact O-OG 3.38Å
181V90Very high89.7Confident39 Ų3945 Ų4524%0.23623%0.234CC..Hα-helixtrans-64.6-49.4175.4175.30000109.8M153 W157 F175 D178 M183 S184 L185M153-V181 HydrophobicContact CE-CG1 4.05Å; W157-V181 HydrophobicContact CH2-CB 4.36Å; W157-V181 HydrophobicContact CH2-CG1 4.25Å; W157-V181 HydrophobicContact CH2-CG2 3.93Å; W157-V181 HydrophobicContact CZ3-CG1 4.36Å; F175-V181 HydrophobicContact CB-CG1 4.27Å; D178-V181 HydrophobicContact CB-CB 4.12Å; D178-V181 HydrophobicContact CB-CG2 4.23Å; D178-V181 PolarHBondContact O-N 3.18Å; D178-V181 PolarHBondContact OD1-N 3.2Å; V181-M183 PolarHBondContact O-N 2.88Å; V181-S184 PolarHBondContact O-N 3.3Å; V181-S184 VanDerWaalsContact O-N 3.14Å; V181-L185 HydrophobicContact CG1-CD1 3.92Å; V181-L185 HydrophobicContact CG1-CG 4.24Å; V181-L185 VanDerWaalsContact O-CG 3.25Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.41Å
182N87.2Confident89.7Confident4 Ų447.9 Ų47.92%0.02125%0.251CS..Hα-helixtrans-54.1-51.2178.6-168.522000112.4L176 D178 S184 L185 Y186L176-N182 WeakPolarHBondContact CD2-OD1 3.47Å; L176-N182 PolarHBondContact O-ND2 2.86Å; D178-N182 WeakPolarHBondContact O-CB 3.41Å; D178-N182 PolarHBondContact O-N 2.92Å; N182-S184 PolarHBondContact O-N 3.33Å; N182-L185 PolarHBondContact O-N 2.86Å; N182-Y186 WeakPolarHBondContact O-CD2 3.23Å; N182-Y186 PolarHBondContact O-N 2.95Å; N182-Y186 VanDerWaalsContact O-N 3.14Å; N182-Y186 WeakPolarHBondContact OD1-CE2 3.34Å; N182-Y186 PolarHBondContact OD1-OH 3.1Å
183M88.2Confident89.9Confident14 Ų1444.9 Ų44.97%0.06924%0.24CC..Hα-helixtrans-62.4-42176.6-71.8-51.4124.500112.6P179 V181 L185 Y186 I187 T525 F529P179-M183 VanDerWaalsContact O-CB 3.29Å; P179-M183 WeakPolarHBondContact O-CB 3.46Å; P179-M183 WeakPolarHBondContact O-CG 3.41Å; P179-M183 PolarHBondContact O-N 3.23Å; V181-M183 PolarHBondContact O-N 2.88Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-L185 PolarHBondContact O-N 3.47Å; M183-Y186 HydrophobicContact CE-CD2 4.29Å; M183-Y186 HydrophobicContact CE-CE2 4.43Å; M183-Y186 PolarHBondContact O-N 2.99Å; M183-Y186 HydrophobicContact SD-CD2 4.47Å; M183-I187 VanDerWaalsContact O-CG1 3.31Å; M183-I187 WeakPolarHBondContact O-CG1 3.5Å; M183-I187 PolarHBondContact O-N 3.45Å; M183-T525 WeakPolarHBondContact CE-O 3.47Å; M183-T525 HydrophobicContact SD-CG2 3.82Å; M183-F529 HydrophobicContact CE-CD2 4.45Å; M183-F529 HydrophobicContact CE-CE2 4.4Å; M183-F529 HydrophobicContact CG-CE1 4.37Å; M183-F529 HydrophobicContact CG-CE2 3.96Å; M183-F529 HydrophobicContact CG-CZ 3.77Å; M183-F529 HydrophobicContact SD-CD2 4.07Å; M183-F529 HydrophobicContact SD-CE2 3.47Å; M183-F529 WeakPolarHBondContact SD-CE2 3.21Å; M183-F529 HydrophobicContact SD-CZ 3.93Å
184S91Very high90Very high72 Ų7246 Ų4650%0.50325%0.246SC..Hα-helixtrans-61.2-41.4178.9-62.40000111.4F180 V181 N182 A188F180-S184 VanDerWaalsContact O-CB 3.23Å; F180-S184 WeakPolarHBondContact O-CB 3.2Å; F180-S184 PolarHBondContact O-N 3Å; F180-S184 PolarHBondContact O-OG 3.38Å; V181-S184 PolarHBondContact O-N 3.3Å; V181-S184 VanDerWaalsContact O-N 3.14Å; N182-S184 PolarHBondContact O-N 3.33Å; S184-A188 WeakPolarHBondContact O-CB 3.45Å; S184-A188 PolarHBondContact O-N 2.92Å
185L90.8Very high90.2Very high21 Ų2150.3 Ų50.311%0.1127%0.267CS..Hα-helixtrans-64.6-44.2177.2-61.6169.4000111.2F175 V181 N182 M183 A188 Y189F175-L185 HydrophobicContact CD2-CD1 3.64Å; F175-L185 HydrophobicContact CE2-CD1 3.69Å; V181-L185 HydrophobicContact CG1-CD1 3.92Å; V181-L185 HydrophobicContact CG1-CG 4.24Å; V181-L185 VanDerWaalsContact O-CG 3.25Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.41Å; N182-L185 PolarHBondContact O-N 2.86Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-L185 PolarHBondContact O-N 3.47Å; L185-A188 PolarHBondContact O-N 2.92Å; L185-Y189 HydrophobicContact CB-CD2 4.11Å; L185-Y189 HydrophobicContact CB-CE2 3.98Å; L185-Y189 HydrophobicContact CD2-CD2 4.29Å; L185-Y189 HydrophobicContact CD2-CE2 3.32Å; L185-Y189 HydrophobicContact CG-CE2 4.2Å; L185-Y189 WeakPolarHBondContact O-CB 3.37Å; L185-Y189 VanDerWaalsContact O-CD2 3.29Å; L185-Y189 WeakPolarHBondContact O-CD2 3.18Å; L185-Y189 PolarHBondContact O-N 2.92Å
186Y90.8Very high90.6Very high15 Ų1552.1 Ų52.16%0.05928%0.282CS..Hα-helixtrans-64.8-42.6178.3-62.9-29000112.9N182 M183 Y190 W191 Y521 A524N182-Y186 WeakPolarHBondContact O-CD2 3.23Å; N182-Y186 PolarHBondContact O-N 2.95Å; N182-Y186 VanDerWaalsContact O-N 3.14Å; N182-Y186 WeakPolarHBondContact OD1-CE2 3.34Å; N182-Y186 PolarHBondContact OD1-OH 3.1Å; M183-Y186 HydrophobicContact CE-CD2 4.29Å; M183-Y186 HydrophobicContact CE-CE2 4.43Å; M183-Y186 PolarHBondContact O-N 2.99Å; M183-Y186 HydrophobicContact SD-CD2 4.47Å; Y186-Y190 WeakPolarHBondContact O-CB 3.42Å; Y186-Y190 PolarHBondContact O-N 3.46Å; Y186-Y190 VanDerWaalsContact O-N 3.09Å; Y186-W191 PolarHBondContact O-N 3.4Å; Y186-Y521 AromaticContact CD1-CD1 3.59Å; Y186-Y521 HydrophobicContact CD1-CD1 3.59Å; Y186-Y521 AromaticContact CD1-CE1 3.58Å; Y186-Y521 HydrophobicContact CD1-CE1 3.58Å; Y186-Y521 HydrophobicContact CE1-CD1 4.17Å; Y186-Y521 HydrophobicContact CE1-CE1 4.07Å; Y186-Y521 HydrophobicContact CG-CD1 4.04Å; Y186-Y521 HydrophobicContact CG-CE1 4.44Å; Y186-A524 HydrophobicContact CD2-CB 4.25Å; Y186-A524 HydrophobicContact CE1-CB 4.36Å; Y186-A524 HydrophobicContact CE2-CB 3.49Å; Y186-A524 VanDerWaalsContact CE2-CB 3.49Å
187I91.3Very high90.8Very high99 Ų9950.7 Ų50.751%0.50828%0.275SS..Iπ-helixtrans-63.4-51.8175.2-66.7168.1000109.7M183 Y189 W191 T192M183-I187 VanDerWaalsContact O-CG1 3.31Å; M183-I187 WeakPolarHBondContact O-CG1 3.5Å; M183-I187 PolarHBondContact O-N 3.45Å; I187-Y189 PolarHBondContact O-N 3.21Å; I187-W191 PolarHBondContact O-N 3.2Å; I187-T192 HydrophobicContact CG2-CG2 4.48Å; I187-T192 WeakPolarHBondContact O-CG2 3.47Å; I187-T192 PolarHBondContact O-N 3.25Å; I187-T192 PolarHBondContact O-OG1 2.75Å
188A91.7Very high91.3Very high46 Ų4648.7 Ų48.738%0.3827%0.268SS..Iπ-helixtrans-68.6-33.1-17200000114.2S184 L185 T192S184-A188 WeakPolarHBondContact O-CB 3.45Å; S184-A188 PolarHBondContact O-N 2.92Å; L185-A188 PolarHBondContact O-N 2.92Å; A188-T192 VanDerWaalsContact C-OG1 3.22Å; A188-T192 PolarHBondContact O-OG1 3.42Å
189Y90.5Very high91.7Very high53 Ų5350.4 Ų50.421%0.20828%0.281CS..Iπ-helixtrans-105.9-28.4-173.8-55-34.8000114.2L103 L149 F150 L185 I187 I193L103-Y189 HydrophobicContact CD1-CG 4.18Å; L103-Y189 HydrophobicContact CD2-CG 4.44Å; L149-Y189 HydrophobicContact CD2-CE1 4.13Å; L149-Y189 HydrophobicContact CD2-CE2 3.63Å; L149-Y189 WeakPolarHBondContact CD2-OH 3.45Å; F150-Y189 HydrophobicContact CZ-CD2 4.44Å; F150-Y189 HydrophobicContact CZ-CE2 4.35Å; L185-Y189 HydrophobicContact CB-CD2 4.11Å; L185-Y189 HydrophobicContact CB-CE2 3.98Å; L185-Y189 HydrophobicContact CD2-CD2 4.29Å; L185-Y189 HydrophobicContact CD2-CE2 3.32Å; L185-Y189 HydrophobicContact CG-CE2 4.2Å; L185-Y189 WeakPolarHBondContact O-CB 3.37Å; L185-Y189 VanDerWaalsContact O-CD2 3.29Å; L185-Y189 WeakPolarHBondContact O-CD2 3.18Å; L185-Y189 PolarHBondContact O-N 2.92Å; I187-Y189 PolarHBondContact O-N 3.21Å; Y189-I193 WeakPolarHBondContact O-CD1 3.16Å; Y189-I193 VanDerWaalsContact O-CG1 3.29Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å
190Y93.2Very high92.1Very high1 Ų149.4 Ų49.40%0.00427%0.272CS..Iπ-helixtrans-105.4-60.2179.4-176-109.7000112.5I106 Y186 T192 I193 L194 F513 W517 S518 Y521I106-Y190 HydrophobicContact CD1-CD2 4.44Å; Y186-Y190 WeakPolarHBondContact O-CB 3.42Å; Y186-Y190 PolarHBondContact O-N 3.46Å; Y186-Y190 VanDerWaalsContact O-N 3.09Å; Y190-T192 PolarHBondContact O-N 2.86Å; Y190-I193 PolarHBondContact O-N 3.24Å; Y190-L194 HydrophobicContact CE1-CD2 3.95Å; Y190-L194 WeakPolarHBondContact O-CB 3.19Å; Y190-L194 PolarHBondContact O-N 3.4Å; Y190-F513 HydrophobicContact CD2-CE1 4.46Å; Y190-F513 HydrophobicContact CD2-CZ 4.43Å; Y190-F513 AromaticContact CE2-CE1 3.82Å; Y190-F513 HydrophobicContact CE2-CE1 3.82Å; Y190-F513 HydrophobicContact CE2-CZ 4.08Å; Y190-W517 HydrophobicContact CD2-CB 4.47Å; Y190-W517 HydrophobicContact CE2-CB 3.54Å; Y190-W517 HydrophobicContact CE2-CG 4.4Å; Y190-S518 VanDerWaalsContact OH-CA 3.25Å; Y190-S518 WeakPolarHBondContact OH-CA 3.25Å; Y190-S518 PolarHBondContact OH-N 2.98Å; Y190-S518 PolarHBondContact OH-OG 3.02Å; Y190-Y521 VanDerWaalsContact CD1-CB 3.45Å; Y190-Y521 HydrophobicContact CD1-CD1 4.22Å; Y190-Y521 AromaticContact CD1-CD2 3.27Å; Y190-Y521 HydrophobicContact CD1-CD2 3.27Å; Y190-Y521 AromaticContact CD1-CE2 3.97Å; Y190-Y521 HydrophobicContact CD1-CE2 3.97Å; Y190-Y521 AromaticContact CD1-CG 3.39Å; Y190-Y521 HydrophobicContact CD1-CG 3.39Å; Y190-Y521 AromaticContact CD2-CD2 3.26Å; Y190-Y521 HydrophobicContact CD2-CD2 3.26Å; Y190-Y521 AromaticContact CD2-CE2 3.11Å; Y190-Y521 HydrophobicContact CD2-CE2 3.11Å; Y190-Y521 HydrophobicContact CD2-CG 4.14Å; Y190-Y521 AromaticContact CD2-CZ 3.98Å; Y190-Y521 AromaticContact CE1-CD2 3.6Å; Y190-Y521 HydrophobicContact CE1-CD2 3.6Å; Y190-Y521 HydrophobicContact CE1-CE2 4.46Å; Y190-Y521 AromaticContact CE1-CG 3.97Å; Y190-Y521 HydrophobicContact CE1-CG 3.97Å; Y190-Y521 AromaticContact CE2-CD2 3.59Å; Y190-Y521 HydrophobicContact CE2-CD2 3.59Å; Y190-Y521 AromaticContact CE2-CE2 3.71Å; Y190-Y521 HydrophobicContact CE2-CE2 3.71Å; Y190-Y521 HydrophobicContact CG-CD1 4.04Å; Y190-Y521 AromaticContact CG-CD2 3.07Å; Y190-Y521 HydrophobicContact CG-CD2 3.07Å; Y190-Y521 HydrophobicContact CG-CE1 4.23Å; Y190-Y521 AromaticContact CG-CE2 3.25Å; Y190-Y521 HydrophobicContact CG-CE2 3.25Å; Y190-Y521 AromaticContact CG-CG 3.47Å; Y190-Y521 HydrophobicContact CG-CG 3.47Å; Y190-Y521 VanDerWaalsContact CG-CG 3.47Å; Y190-Y521 AromaticContact CG-CZ 3.87Å; Y190-Y521 AromaticContact CZ-CD2 3.75Å
191W93.3Very high92.2Very high76 Ų7644.2 Ų44.229%0.28825%0.248SC..Iπ-helixtrans-65.3-44.9-170.5-68.8111.5000112.6Y186 I187 I193 L194 I195 I522Y186-W191 PolarHBondContact O-N 3.4Å; I187-W191 PolarHBondContact O-N 3.2Å; W191-I193 VanDerWaalsContact C-N 3.3Å; W191-I193 PolarHBondContact O-N 2.86Å; W191-L194 HydrophobicContact CE3-CD2 4.19Å; W191-L194 HydrophobicContact CZ3-CD2 4.13Å; W191-L194 PolarHBondContact O-N 3.14Å; W191-I195 WeakPolarHBondContact O-CB 3.27Å; W191-I195 WeakPolarHBondContact O-CD1 3.39Å; W191-I195 VanDerWaalsContact O-CG1 3.24Å; W191-I195 WeakPolarHBondContact O-CG1 3.33Å; W191-I195 PolarHBondContact O-N 2.86Å; W191-I522 HydrophobicContact CH2-CD1 4.48Å; W191-I522 HydrophobicContact CH2-CG1 3.78Å; W191-I522 HydrophobicContact CZ2-CG1 3.9Å
192T94.6Very high92.3Very high64 Ų6451.1 Ų51.139%0.39327%0.27SS..Hα-helixtrans-58-42.6174.253.70000111.8I187 A188 Y190 I195 A196I187-T192 HydrophobicContact CG2-CG2 4.48Å; I187-T192 WeakPolarHBondContact O-CG2 3.47Å; I187-T192 PolarHBondContact O-N 3.25Å; I187-T192 PolarHBondContact O-OG1 2.75Å; A188-T192 VanDerWaalsContact C-OG1 3.22Å; A188-T192 PolarHBondContact O-OG1 3.42Å; Y190-T192 PolarHBondContact O-N 2.86Å; T192-I195 PolarHBondContact O-N 3.2Å; T192-A196 WeakPolarHBondContact O-CB 3.47Å; T192-A196 PolarHBondContact O-N 3.04Å
193I94.6Very high92.5Very high13 Ų1351.8 Ų51.87%0.06728%0.278CS..Hα-helixtrans-72-41.1-178.3-61.8-168.4000110.8I106 F107 L110 Y189 Y190 W191 I195 A196 M197I106-I193 HydrophobicContact CG2-CB 4.26Å; I106-I193 HydrophobicContact CG2-CD1 3.82Å; I106-I193 HydrophobicContact CG2-CG2 3.8Å; F107-I193 HydrophobicContact CD1-CD1 3.66Å; F107-I193 HydrophobicContact CE1-CD1 3.53Å; L110-I193 HydrophobicContact CB-CG2 4.09Å; L110-I193 HydrophobicContact CD1-CG2 4.27Å; L110-I193 HydrophobicContact CD2-CD1 4.44Å; L110-I193 HydrophobicContact CD2-CG2 4.17Å; L110-I193 HydrophobicContact CG-CG2 4.4Å; Y189-I193 WeakPolarHBondContact O-CD1 3.16Å; Y189-I193 VanDerWaalsContact O-CG1 3.29Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y190-I193 PolarHBondContact O-N 3.24Å; W191-I193 VanDerWaalsContact C-N 3.3Å; W191-I193 PolarHBondContact O-N 2.86Å; I193-I195 VanDerWaalsContact C-N 3.31Å; I193-I195 PolarHBondContact O-N 3.17Å; I193-A196 PolarHBondContact O-N 3.08Å; I193-M197 HydrophobicContact CG2-CE 3.42Å; I193-M197 VanDerWaalsContact CG2-CE 3.42Å; I193-M197 HydrophobicContact CG2-CG 4.26Å; I193-M197 WeakPolarHBondContact O-CB 3.02Å; I193-M197 VanDerWaalsContact O-CG 3.32Å; I193-M197 WeakPolarHBondContact O-CG 3.4Å; I193-M197 PolarHBondContact O-N 3.22Å
194L93.8Very high92.6Very high25 Ų2551.2 Ų51.213%0.13128%0.275CS..Hα-helixtrans-61.3-41.9175.4-176.365.5000111.1Y190 W191 S198 A514Y190-L194 HydrophobicContact CE1-CD2 3.95Å; Y190-L194 WeakPolarHBondContact O-CB 3.19Å; Y190-L194 PolarHBondContact O-N 3.4Å; W191-L194 HydrophobicContact CE3-CD2 4.19Å; W191-L194 HydrophobicContact CZ3-CD2 4.13Å; W191-L194 PolarHBondContact O-N 3.14Å; L194-S198 VanDerWaalsContact O-CB 3.3Å; L194-S198 WeakPolarHBondContact O-CB 3.31Å; L194-S198 PolarHBondContact O-N 3.32Å; L194-S198 PolarHBondContact O-OG 3.19Å; L194-A514 HydrophobicContact CD1-CB 3.91Å
195I94.7Very high92.6Very high108 Ų10852.4 Ų52.455%0.55427%0.272SS*.Hα-helixtrans-63.1-48.4173.8-68.5165.8000110.2W191 T192 I193 M197 S198 V199W191-I195 WeakPolarHBondContact O-CB 3.27Å; W191-I195 WeakPolarHBondContact O-CD1 3.39Å; W191-I195 VanDerWaalsContact O-CG1 3.24Å; W191-I195 WeakPolarHBondContact O-CG1 3.33Å; W191-I195 PolarHBondContact O-N 2.86Å; T192-I195 PolarHBondContact O-N 3.2Å; I193-I195 VanDerWaalsContact C-N 3.31Å; I193-I195 PolarHBondContact O-N 3.17Å; I195-M197 PolarHBondContact O-N 2.94Å; I195-S198 WeakPolarHBondContact O-CB 3.1Å; I195-S198 PolarHBondContact O-N 3.27Å; I195-S198 VanDerWaalsContact O-N 3.14Å; I195-V199 WeakPolarHBondContact O-CG2 3.44Å; I195-V199 PolarHBondContact O-N 3.44Å
196A95.1Very high92.6Very high39 Ų3956.2 Ų56.232%0.32229%0.293SS..Hα-helixtrans-58.5-48.1178.200000111.9L110 T192 I193 S198 V199 L200L110-A196 HydrophobicContact CD1-CB 4.43Å; T192-A196 WeakPolarHBondContact O-CB 3.47Å; T192-A196 PolarHBondContact O-N 3.04Å; I193-A196 PolarHBondContact O-N 3.08Å; A196-S198 VanDerWaalsContact C-N 3.3Å; A196-S198 PolarHBondContact O-N 2.93Å; A196-V199 PolarHBondContact O-N 3.46Å; A196-L200 WeakPolarHBondContact O-CB 3.47Å; A196-L200 VanDerWaalsContact O-CG 3.23Å; A196-L200 WeakPolarHBondContact O-CG 3.49Å; A196-L200 PolarHBondContact O-N 3.4Å
197M93.2Very high92.6Very high1 Ų156.4 Ų56.41%0.00530%0.297CS..Hα-helixtrans-59.6-40.5175.3-70.8-165.3-155.800111.8I106 V109 L110 I193 I195 L200 Y201 F513I106-M197 WeakPolarHBondContact O-CE 3.15Å; V109-M197 HydrophobicContact CB-CE 3.88Å; V109-M197 HydrophobicContact CB-SD 4.48Å; V109-M197 HydrophobicContact CG1-CE 3.77Å; V109-M197 HydrophobicContact CG1-SD 3.72Å; L110-M197 HydrophobicContact CB-CE 3.81Å; L110-M197 HydrophobicContact CD1-CG 3.92Å; I193-M197 HydrophobicContact CG2-CE 3.42Å; I193-M197 VanDerWaalsContact CG2-CE 3.42Å; I193-M197 HydrophobicContact CG2-CG 4.26Å; I193-M197 WeakPolarHBondContact O-CB 3.02Å; I193-M197 VanDerWaalsContact O-CG 3.32Å; I193-M197 WeakPolarHBondContact O-CG 3.4Å; I193-M197 PolarHBondContact O-N 3.22Å; I195-M197 PolarHBondContact O-N 2.94Å; M197-L200 PolarHBondContact O-N 3.06Å; M197-Y201 WeakPolarHBondContact O-CB 3.29Å; M197-Y201 PolarHBondContact O-N 3.13Å; M197-F513 HydrophobicContact CE-CE1 4.16Å; M197-F513 HydrophobicContact CE-CZ 4.48Å; M197-F513 HydrophobicContact SD-CD1 4.45Å
198S92.2Very high92.4Very high54 Ų5453.1 Ų53.138%0.37829%0.285SS..Hα-helixtrans-64.2-43.7178.6-63.60000112.1L194 I195 A196 Y201 R202L194-S198 VanDerWaalsContact O-CB 3.3Å; L194-S198 WeakPolarHBondContact O-CB 3.31Å; L194-S198 PolarHBondContact O-N 3.32Å; L194-S198 PolarHBondContact O-OG 3.19Å; I195-S198 WeakPolarHBondContact O-CB 3.1Å; I195-S198 PolarHBondContact O-N 3.27Å; I195-S198 VanDerWaalsContact O-N 3.14Å; A196-S198 VanDerWaalsContact C-N 3.3Å; A196-S198 PolarHBondContact O-N 2.93Å; S198-Y201 PolarHBondContact O-N 3.21Å; S198-R202 WeakPolarHBondContact O-CG 3.36Å; S198-R202 PolarHBondContact O-N 2.99Å
199V94.6Very high92.3Very high96 Ų9656.3 Ų56.358%0.58229%0.29SS*.Hα-helixtrans-64.2-48.2176172.60000110.6I195 A196 Y201 R202 G203I195-V199 WeakPolarHBondContact O-CG2 3.44Å; I195-V199 PolarHBondContact O-N 3.44Å; A196-V199 PolarHBondContact O-N 3.46Å; V199-Y201 VanDerWaalsContact C-N 3.32Å; V199-Y201 PolarHBondContact O-N 3Å; V199-R202 PolarHBondContact O-N 2.97Å; V199-G203 PolarHBondContact O-N 3.49Å
200L94.6Very high92.2Very high34 Ų3458.3 Ų58.318%0.17830%0.301CS..Hα-helixtrans-60-42.8177.2-68.5171.1000111.4L110 T113 V114 Y117 A196 M197 G203 I204L110-L200 HydrophobicContact CD1-CD1 4.24Å; T113-L200 HydrophobicContact CG2-CB 3.73Å; T113-L200 HydrophobicContact CG2-CD1 4.15Å; V114-L200 HydrophobicContact CG2-CD1 3.58Å; Y117-L200 HydrophobicContact CD1-CD2 3.88Å; Y117-L200 HydrophobicContact CD2-CD2 4.06Å; Y117-L200 HydrophobicContact CE1-CD2 4.32Å; Y117-L200 HydrophobicContact CE2-CD2 4.48Å; Y117-L200 HydrophobicContact CG-CD2 3.74Å; A196-L200 WeakPolarHBondContact O-CB 3.47Å; A196-L200 VanDerWaalsContact O-CG 3.23Å; A196-L200 WeakPolarHBondContact O-CG 3.49Å; A196-L200 PolarHBondContact O-N 3.4Å; M197-L200 PolarHBondContact O-N 3.06Å; L200-G203 WeakPolarHBondContact O-CA 3.29Å; L200-G203 PolarHBondContact O-N 3.25Å; L200-I204 WeakPolarHBondContact O-CG1 3.17Å; L200-I204 PolarHBondContact O-N 2.86Å
201Y91Very high91.9Very high54 Ų5462 Ų6221%0.21232%0.321CS..Hα-helixtrans-66.3-40.4179.2-175.4-98.6000112.5M197 S198 V199 G203 I204 H205 F503 I506 T507M197-Y201 WeakPolarHBondContact O-CB 3.29Å; M197-Y201 PolarHBondContact O-N 3.13Å; S198-Y201 PolarHBondContact O-N 3.21Å; V199-Y201 VanDerWaalsContact C-N 3.32Å; V199-Y201 PolarHBondContact O-N 3Å; Y201-G203 VanDerWaalsContact C-N 3.31Å; Y201-G203 PolarHBondContact O-N 3.09Å; Y201-I204 PolarHBondContact O-N 3.49Å; Y201-H205 PolarHBondContact O-N 3.47Å; Y201-F503 AromaticContact CE2-CE2 3.87Å; Y201-F503 HydrophobicContact CE2-CE2 3.87Å; Y201-F503 HydrophobicContact CE2-CZ 4Å; Y201-F503 AromaticContact CZ-CZ 3.69Å; Y201-F503 WeakPolarHBondContact OH-CZ 3.31Å; Y201-I506 HydrophobicContact CD2-CG2 4.27Å; Y201-I506 HydrophobicContact CE2-CG2 4.41Å; Y201-T507 WeakPolarHBondContact OH-CB 3.46Å; Y201-T507 WeakPolarHBondContact OH-CG2 3.25Å; Y201-T507 PolarHBondContact OH-OG1 2.92Å
202R91.6Very high91.5Very high184 Ų18462.6 Ų62.669%0.69433%0.327SS*.Hα-helixtrans-57.7-45.7170.2-75.6176.8-176.5-96.22110.8S198 V199 I204 H205 L206S198-R202 WeakPolarHBondContact O-CG 3.36Å; S198-R202 PolarHBondContact O-N 2.99Å; V199-R202 PolarHBondContact O-N 2.97Å; R202-I204 PolarHBondContact O-N 3.23Å; R202-H205 PolarHBondContact O-N 2.71Å; R202-L206 WeakPolarHBondContact O-CG 3.28Å; R202-L206 PolarHBondContact O-N 3.33Å
203G92Very high91.2Very high19 Ų1964.6 Ų64.620%0.19633%0.332CS..Hα-helixtrans-58.6-44.8174.900000113.3V199 L200 Y201 H205 L206 A207V199-G203 PolarHBondContact O-N 3.49Å; L200-G203 WeakPolarHBondContact O-CA 3.29Å; L200-G203 PolarHBondContact O-N 3.25Å; Y201-G203 VanDerWaalsContact C-N 3.31Å; Y201-G203 PolarHBondContact O-N 3.09Å; G203-H205 VanDerWaalsContact C-N 3.34Å; G203-H205 PolarHBondContact O-N 2.91Å; G203-L206 PolarHBondContact O-N 3.47Å; G203-A207 VanDerWaalsContact O-CB 3.29Å; G203-A207 WeakPolarHBondContact O-CB 3.5Å; G203-A207 PolarHBondContact O-N 3.11Å
204I91.2Very high90.9Very high2 Ų271.6 Ų71.61%0.0136%0.357CS..Hα-helixtrans-59.6-45.4174.8-66.2165.2000110.7T113 R116 Y117 V120 L200 Y201 R202 A207 A208 F503T113-I204 HydrophobicContact CG2-CD1 4.42Å; R116-I204 HydrophobicContact CB-CD1 3.99Å; Y117-I204 HydrophobicContact CD2-CG1 4.08Å; V120-I204 HydrophobicContact CG2-CG2 4.4Å; L200-I204 WeakPolarHBondContact O-CG1 3.17Å; L200-I204 PolarHBondContact O-N 2.86Å; Y201-I204 PolarHBondContact O-N 3.49Å; R202-I204 PolarHBondContact O-N 3.23Å; I204-A207 PolarHBondContact O-N 2.95Å; I204-A208 WeakPolarHBondContact O-CB 3.39Å; I204-A208 PolarHBondContact O-N 3.06Å; I204-F503 HydrophobicContact CG2-CD2 3.65Å; I204-F503 HydrophobicContact CG2-CE2 3.74Å
205H89.6Confident90.5Very high96 Ų9671.6 Ų71.644%0.44436%0.357SS..Hα-helixtrans-63.9-45.6-178.7-176.270.5000111.8Y201 R202 G203 A208 K209 F503Y201-H205 PolarHBondContact O-N 3.47Å; R202-H205 PolarHBondContact O-N 2.71Å; G203-H205 VanDerWaalsContact C-N 3.34Å; G203-H205 PolarHBondContact O-N 2.91Å; H205-A208 PolarHBondContact O-N 3Å; H205-K209 WeakPolarHBondContact O-CB 3.34Å; H205-K209 PolarHBondContact O-N 3.39Å; H205-F503 HydrophobicContact CB-CE2 4.39Å; H205-F503 HydrophobicContact CB-CZ 4.28Å; H205-F503 AromaticContact ND1-CZ 3.69Å
206L91.9Very high90.2Very high102 Ų10268.2 Ų68.253%0.53435%0.345SS..Hα-helixtrans-62.4-47.8176.5-69.9172.9000111.5R202 G203 A208 K209 Q210R202-L206 WeakPolarHBondContact O-CG 3.28Å; R202-L206 PolarHBondContact O-N 3.33Å; G203-L206 PolarHBondContact O-N 3.47Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 2.92Å; L206-K209 PolarHBondContact O-N 3.15Å; L206-Q210 WeakPolarHBondContact O-CG 3.48Å; L206-Q210 PolarHBondContact O-N 3.31Å
207A90Very high89.9Confident18 Ų1868.4 Ų68.415%0.14935%0.347CS..Hα-helixtrans-63.3-37.917800000112.2V120 G203 I204 L211V120-A207 HydrophobicContact CG1-CB 3.76Å; G203-A207 VanDerWaalsContact O-CB 3.29Å; G203-A207 WeakPolarHBondContact O-CB 3.5Å; G203-A207 PolarHBondContact O-N 3.11Å; I204-A207 PolarHBondContact O-N 2.95Å; A207-L211 VanDerWaalsContact O-CB 3.31Å; A207-L211 WeakPolarHBondContact O-CB 3.37Å; A207-L211 PolarHBondContact O-N 3.23Å
208A87.3Confident89.6Confident30 Ų3076 Ų7625%0.24838%0.375CS..Hα-helixtrans-64.6-43.7174.800000111.7I204 H205 L206 L211 E212I204-A208 WeakPolarHBondContact O-CB 3.39Å; I204-A208 PolarHBondContact O-N 3.06Å; H205-A208 PolarHBondContact O-N 3Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 2.92Å; A208-L211 PolarHBondContact O-N 2.97Å; A208-E212 WeakPolarHBondContact O-CG 3.36Å; A208-E212 PolarHBondContact O-N 2.67Å
209K89Confident89.2Confident113 Ų11375.8 Ų75.849%0.49137%0.369SS..Hα-helixtrans-60.9-49.4175.7-175.9-179175.5-174.40111.3H205 L206 L211 E212 E213H205-K209 WeakPolarHBondContact O-CB 3.34Å; H205-K209 PolarHBondContact O-N 3.39Å; L206-K209 PolarHBondContact O-N 3.15Å; K209-L211 VanDerWaalsContact C-N 3.29Å; K209-L211 PolarHBondContact O-N 2.84Å; K209-E212 PolarHBondContact O-N 3.39Å; K209-E212 VanDerWaalsContact O-N 3.1Å; K209-E213 WeakPolarHBondContact CE-OE1 3.31Å; K209-E213 WeakPolarHBondContact O-CG 3.32Å; K209-E213 PolarHBondContact O-N 3.41Å
210Q89.5Confident88.8Confident95 Ų9577.6 Ų77.644%0.44437%0.371SS..Hα-helixtrans-59.6-38.3176.4-71.6176.3-2.300112.3L206 E213 R214L206-Q210 WeakPolarHBondContact O-CG 3.48Å; L206-Q210 PolarHBondContact O-N 3.31Å; Q210-E213 PolarHBondContact O-N 3.39Å; Q210-R214 WeakPolarHBondContact O-CB 3.14Å; Q210-R214 VanDerWaalsContact O-CG 3.27Å; Q210-R214 WeakPolarHBondContact O-CG 3.2Å; Q210-R214 PolarHBondContact O-N 2.9Å
211L85.8Confident88.5Confident80 Ų8084.8 Ų84.842%0.41940%0.395SS..Hα-helixtrans-65.9-39.7176.1-179.360.8000111.6A207 A208 K209 N215A207-L211 VanDerWaalsContact O-CB 3.31Å; A207-L211 WeakPolarHBondContact O-CB 3.37Å; A207-L211 PolarHBondContact O-N 3.23Å; A208-L211 PolarHBondContact O-N 2.97Å; K209-L211 VanDerWaalsContact C-N 3.29Å; K209-L211 PolarHBondContact O-N 2.84Å; L211-N215 WeakPolarHBondContact O-CB 3.47Å; L211-N215 PolarHBondContact O-N 3.27Å; L211-N215 PolarHBondContact O-ND2 2.85Å
212E85.6Confident88.4Confident88 Ų8885.3 Ų85.341%0.41140%0.404SS..Hα-helixtrans-64.8-43.2176-71.4-167.7156.800112A208 K209 N215 A216 R500A208-E212 WeakPolarHBondContact O-CG 3.36Å; A208-E212 PolarHBondContact O-N 2.67Å; K209-E212 PolarHBondContact O-N 3.39Å; K209-E212 VanDerWaalsContact O-N 3.1Å; E212-N215 PolarHBondContact O-N 2.99Å; E212-A216 WeakPolarHBondContact O-CB 3.4Å; E212-A216 PolarHBondContact O-N 2.95Å; E212-R500 VanDerWaalsContact OE1-CD 3.31Å; E212-R500 WeakPolarHBondContact OE1-CD 3.31Å; E212-R500 IonicContact OE1-CZ 3.44Å; E212-R500 IonicContact OE1-NE 3.61Å; E212-R500 IonicContact OE1-NH1 3.77Å; E212-R500 PolarHBondContact OE1-NH1 3.05Å
213E89Confident88.1Confident106 Ų10677.5 Ų77.550%0.49538%0.377SS..Hα-helixtrans-63.1-50175.6-70.9169.4-177.400111.8K209 Q210 N215 A216 A217K209-E213 WeakPolarHBondContact CE-OE1 3.31Å; K209-E213 WeakPolarHBondContact O-CG 3.32Å; K209-E213 PolarHBondContact O-N 3.41Å; Q210-E213 PolarHBondContact O-N 3.39Å; E213-N215 VanDerWaalsContact C-N 3.26Å; E213-N215 PolarHBondContact O-N 3.5Å; E213-A216 WeakPolarHBondContact O-CB 3.15Å; E213-A216 PolarHBondContact O-N 3.02Å; E213-A216 VanDerWaalsContact O-N 3.11Å; E213-A217 PolarHBondContact O-N 3.45Å
214R88.1Confident88Confident160 Ų16079.5 Ų79.560%0.60439%0.391SS*.Hα-helixtrans-58.5-40.3175.5-75.8175.7176.7168.70.1111.6Q210 A217 R218Q210-R214 WeakPolarHBondContact O-CB 3.14Å; Q210-R214 VanDerWaalsContact O-CG 3.27Å; Q210-R214 WeakPolarHBondContact O-CG 3.2Å; Q210-R214 PolarHBondContact O-N 2.9Å; R214-A217 PolarHBondContact O-N 3.22Å; R214-R218 WeakPolarHBondContact O-CB 3.19Å; R214-R218 VanDerWaalsContact O-CG 3.28Å; R214-R218 WeakPolarHBondContact O-CG 3.16Å; R214-R218 PolarHBondContact O-N 3.49Å
215N85.7Confident87.9Confident25 Ų2585.1 Ų85.113%0.13442%0.421CS..Hα-helixtrans-71.1-33.5178.7-74.5-14.1000112.1L211 E212 E213 H219 R490 E496L211-N215 WeakPolarHBondContact O-CB 3.47Å; L211-N215 PolarHBondContact O-N 3.27Å; L211-N215 PolarHBondContact O-ND2 2.85Å; E212-N215 PolarHBondContact O-N 2.99Å; E213-N215 VanDerWaalsContact C-N 3.26Å; E213-N215 PolarHBondContact O-N 3.5Å; N215-H219 PolarHBondContact O-N 3.45Å; N215-H219 VanDerWaalsContact O-N 3.09Å; N215-R490 VanDerWaalsContact C-CZ 3.47Å; N215-R490 PolarHBondContact O-NE 2.86Å; N215-R490 PolarHBondContact O-NH1 3.2Å; N215-E496 PolarHBondContact ND2-OE1 2.96Å
216A86.6Confident87.8Confident36 Ų3685 Ų8530%0.29842%0.421SS..Hα-helixtrans-65.5-48.5170.900000110.8E212 E213 R218 H219 H220E212-A216 WeakPolarHBondContact O-CB 3.4Å; E212-A216 PolarHBondContact O-N 2.95Å; E213-A216 WeakPolarHBondContact O-CB 3.15Å; E213-A216 PolarHBondContact O-N 3.02Å; E213-A216 VanDerWaalsContact O-N 3.11Å; A216-R218 PolarHBondContact O-N 2.9Å; A216-H219 WeakPolarHBondContact O-CA 3.33Å; A216-H219 WeakPolarHBondContact O-CB 3.4Å; A216-H219 PolarHBondContact O-N 2.82Å; A216-H220 PolarHBondContact O-CD2 2.99Å; A216-H220 PolarHBondContact O-N 3.46Å
217A88.8Confident87.5Confident44 Ų4481.8 Ų81.836%0.36441%0.405SS..Hα-helixtrans-58.4-43.7176.300000112.4E213 R214 H219 H220 R221E213-A217 PolarHBondContact O-N 3.45Å; R214-A217 PolarHBondContact O-N 3.22Å; A217-H219 VanDerWaalsContact C-N 3.29Å; A217-H219 PolarHBondContact O-N 2.87Å; A217-H220 PolarHBondContact O-N 2.95Å; A217-R221 WeakPolarHBondContact O-CG 3.47Å; A217-R221 PolarHBondContact O-N 2.93Å
218R87.2Confident87.4Confident159 Ų15982.7 Ų82.760%0.642%0.416SS*.Hα-helixtrans-59.5-38.8173.1-76.9174.3179.1-179-2112.3R214 A216 T222R214-R218 WeakPolarHBondContact O-CB 3.19Å; R214-R218 VanDerWaalsContact O-CG 3.28Å; R214-R218 WeakPolarHBondContact O-CG 3.16Å; R214-R218 PolarHBondContact O-N 3.49Å; A216-R218 PolarHBondContact O-N 2.9Å; R218-T222 WeakPolarHBondContact O-CB 3.45Å; R218-T222 PolarHBondContact O-N 3.4Å; R218-T222 PolarHBondContact O-OG1 3.43Å
219H84.5Confident87.5Confident51 Ų5187.7 Ų87.724%0.23643%0.434CS..Hα-helixtrans-66-44.8175.9-175.959.1000111.9N215 A216 A217 R221 T222 V223 R490N215-H219 PolarHBondContact O-N 3.45Å; N215-H219 VanDerWaalsContact O-N 3.09Å; A216-H219 WeakPolarHBondContact O-CA 3.33Å; A216-H219 WeakPolarHBondContact O-CB 3.4Å; A216-H219 PolarHBondContact O-N 2.82Å; A217-H219 VanDerWaalsContact C-N 3.29Å; A217-H219 PolarHBondContact O-N 2.87Å; H219-R221 PolarHBondContact O-N 3.2Å; H219-T222 WeakPolarHBondContact O-CB 3.31Å; H219-T222 PolarHBondContact O-N 2.98Å; H219-V223 WeakPolarHBondContact O-CG2 3.13Å; H219-V223 PolarHBondContact O-N 3.47Å; H219-R490 VanDerWaalsContact CB-CD 3.5Å; H219-R490 HydrophobicContact CB-CG 4.03Å; H219-R490 WeakPolarHBondContact CD2-CB 3.24Å; H219-R490 WeakPolarHBondContact NE2-CA 3.49Å
220H85.4Confident87.3Confident134 Ų13485.2 Ų85.262%0.6242%0.421SS*.Hα-helixtrans-57.6-47.2174.4-75.7-75.9000111.8A216 A217 T222 V223 A224A216-H220 PolarHBondContact O-CD2 2.99Å; A216-H220 PolarHBondContact O-N 3.46Å; A217-H220 PolarHBondContact O-N 2.95Å; H220-T222 VanDerWaalsContact C-N 3.33Å; H220-T222 PolarHBondContact O-N 3.48Å; H220-V223 PolarHBondContact O-N 2.96Å; H220-A224 WeakPolarHBondContact O-CB 3.18Å; H220-A224 PolarHBondContact O-N 3.3Å
221R89.5Confident87.2Confident185 Ų18583.9 Ų83.970%0.69842%0.422SS*.Hα-helixtrans-59.3-42.9175.2-69.2179.3-175.3-178.71112.3A217 H219 A224 L225A217-R221 WeakPolarHBondContact O-CG 3.47Å; A217-R221 PolarHBondContact O-N 2.93Å; H219-R221 PolarHBondContact O-N 3.2Å; R221-A224 PolarHBondContact O-N 3.21Å; R221-L225 WeakPolarHBondContact O-CG 3.1Å; R221-L225 PolarHBondContact O-N 2.95Å
222T87.9Confident87.3Confident64 Ų6484.6 Ų84.639%0.39343%0.43SS..Hα-helixtrans-63.9-42.1178.2-570000111.6R218 H219 H220 M226R218-T222 WeakPolarHBondContact O-CB 3.45Å; R218-T222 PolarHBondContact O-N 3.4Å; R218-T222 PolarHBondContact O-OG1 3.43Å; H219-T222 WeakPolarHBondContact O-CB 3.31Å; H219-T222 PolarHBondContact O-N 2.98Å; H220-T222 VanDerWaalsContact C-N 3.33Å; H220-T222 PolarHBondContact O-N 3.48Å; T222-M226 HydrophobicContact CG2-CE 3.58Å; T222-M226 HydrophobicContact CG2-SD 4.48Å; T222-M226 VanDerWaalsContact O-CG 3.3Å; T222-M226 WeakPolarHBondContact O-CG 3.29Å; T222-M226 PolarHBondContact O-N 3.26Å
223V86.5Confident87.3Confident21 Ų2181.9 Ų81.913%0.12742%0.422CS..Hα-helixtrans-66.2-42.8176.6172.90000110.9H219 H220 M226 L227 L486H219-V223 WeakPolarHBondContact O-CG2 3.13Å; H219-V223 PolarHBondContact O-N 3.47Å; H220-V223 PolarHBondContact O-N 2.96Å; V223-M226 PolarHBondContact O-N 3.41Å; V223-L227 HydrophobicContact CG1-CD1 4.1Å; V223-L227 WeakPolarHBondContact O-CG 3.32Å; V223-L227 PolarHBondContact O-N 2.89Å; V223-L486 HydrophobicContact CG1-CD2 4.14Å
224A88.1Confident87.1Confident60 Ų6079.5 Ų79.550%0.49641%0.411SS..Hα-helixtrans-60.6-44.8176.200000112.2H220 R221 M226 L227 G228H220-A224 WeakPolarHBondContact O-CB 3.18Å; H220-A224 PolarHBondContact O-N 3.3Å; R221-A224 PolarHBondContact O-N 3.21Å; A224-M226 PolarHBondContact O-N 3.31Å; A224-L227 PolarHBondContact O-N 3.47Å; A224-G228 PolarHBondContact O-N 3.45Å
225L90.1Very high87Confident120 Ų12075.8 Ų75.863%0.62841%0.406SS*.Hα-helixtrans-61.9-40.7174.8-72.5172000112.3R221 L227 G228 Q229R221-L225 WeakPolarHBondContact O-CG 3.1Å; R221-L225 PolarHBondContact O-N 2.95Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.04Å; L225-G228 PolarHBondContact O-N 2.9Å; L225-Q229 WeakPolarHBondContact O-CG 3.45Å; L225-Q229 PolarHBondContact O-N 3.14Å
226M86.7Confident86.9Confident93 Ų9377.8 Ų77.846%0.45842%0.422SS..Hα-helixtrans-63.9-37.7175.8-73.2177.5-173.300112.4T222 V223 A224 R230T222-M226 HydrophobicContact CG2-CE 3.58Å; T222-M226 HydrophobicContact CG2-SD 4.48Å; T222-M226 VanDerWaalsContact O-CG 3.3Å; T222-M226 WeakPolarHBondContact O-CG 3.29Å; T222-M226 PolarHBondContact O-N 3.26Å; V223-M226 PolarHBondContact O-N 3.41Å; A224-M226 PolarHBondContact O-N 3.31Å; M226-R230 WeakPolarHBondContact O-CG 3.42Å; M226-R230 PolarHBondContact O-N 3.2Å; M226-R230 VanDerWaalsContact O-N 3.08Å
227L86.9Confident86.8Confident36 Ų3677.9 Ų77.919%0.18842%0.419CS..Hα-helixtrans-68.3-42.8175.1-72.3166.6000111.6V223 A224 L225 R230 C231 P482 L485 L486V223-L227 HydrophobicContact CG1-CD1 4.1Å; V223-L227 WeakPolarHBondContact O-CG 3.32Å; V223-L227 PolarHBondContact O-N 2.89Å; A224-L227 PolarHBondContact O-N 3.47Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.04Å; L227-R230 WeakPolarHBondContact O-CB 3.34Å; L227-R230 PolarHBondContact O-N 3.41Å; L227-C231 PolarHBondContact O-N 3.04Å; L227-P482 HydrophobicContact CD2-CB 3.78Å; L227-L485 HydrophobicContact CD2-CB 4.12Å; L227-L485 HydrophobicContact CD2-CD1 3.83Å; L227-L485 HydrophobicContact CG-CD1 4.4Å; L227-L486 HydrophobicContact CD1-CD1 4.31Å; L227-L486 HydrophobicContact CD1-CD2 3.5Å; L227-L486 HydrophobicContact CD1-CG 3.73Å
228G88.1Confident86.4Confident37 Ų3777.6 Ų77.638%0.38142%0.42SS..Hα-helixtrans-59.7-47.2174.600000112.4A224 L225 R230 C231 V232A224-G228 PolarHBondContact O-N 3.45Å; L225-G228 PolarHBondContact O-N 2.9Å; G228-R230 VanDerWaalsContact C-N 3.29Å; G228-R230 PolarHBondContact O-N 3.4Å; G228-C231 WeakPolarHBondContact O-CB 3.28Å; G228-C231 PolarHBondContact O-N 2.87Å; G228-V232 WeakPolarHBondContact O-CG2 3.33Å; G228-V232 PolarHBondContact O-N 3Å
229Q88Confident86.2Confident134 Ų13475.6 Ų75.663%0.62642%0.421SS*.Hα-helixtrans-60-38.4175-75-179.6-17.500112.5L225 A233L225-Q229 WeakPolarHBondContact O-CG 3.45Å; L225-Q229 PolarHBondContact O-N 3.14Å; Q229-A233 WeakPolarHBondContact O-CB 3.22Å; Q229-A233 PolarHBondContact O-N 3.15Å
230R86Confident86Confident61 Ų6180.6 Ų80.623%0.2344%0.439CS..Hα-helixtrans-64.8-44.2174.5-79.7-179.4171.3-153.4-3.1112.1M226 L227 G228 A233 Q234 S480 L485M226-R230 WeakPolarHBondContact O-CG 3.42Å; M226-R230 PolarHBondContact O-N 3.2Å; M226-R230 VanDerWaalsContact O-N 3.08Å; L227-R230 WeakPolarHBondContact O-CB 3.34Å; L227-R230 PolarHBondContact O-N 3.41Å; G228-R230 VanDerWaalsContact C-N 3.29Å; G228-R230 PolarHBondContact O-N 3.4Å; R230-A233 PolarHBondContact O-N 2.9Å; R230-Q234 VanDerWaalsContact O-CG 3.3Å; R230-Q234 WeakPolarHBondContact O-CG 3.39Å; R230-Q234 PolarHBondContact O-N 3.05Å; R230-S480 PolarHBondContact NH1-OG 2.81Å; R230-L485 VanDerWaalsContact NH1-CD1 3.31Å
231C86.5Confident85.7Confident67 Ų6779.2 Ų79.245%0.45343%0.431SS..Hα-helixtrans-60.3-47.9177.7-172.50000111.3L227 G228 A233 Q234 V235L227-C231 PolarHBondContact O-N 3.04Å; G228-C231 WeakPolarHBondContact O-CB 3.28Å; G228-C231 PolarHBondContact O-N 2.87Å; C231-A233 VanDerWaalsContact C-N 3.35Å; C231-A233 PolarHBondContact O-N 3.27Å; C231-Q234 WeakPolarHBondContact O-CB 3.44Å; C231-Q234 PolarHBondContact O-N 3.12Å; C231-V235 WeakPolarHBondContact O-CG2 3.37Å; C231-V235 PolarHBondContact O-N 2.93Å
232V87.7Confident85.1Confident96 Ų9676 Ų7658%0.58242%0.424SS*.Hα-helixtrans-59-46.2176175.10000111.1G228 Q234 V235 S236G228-V232 WeakPolarHBondContact O-CG2 3.33Å; G228-V232 PolarHBondContact O-N 3Å; V232-Q234 VanDerWaalsContact C-N 3.32Å; V232-Q234 PolarHBondContact O-N 3.14Å; V232-V235 PolarHBondContact O-N 3.26Å; V232-S236 PolarHBondContact O-N 2.98Å; V232-S236 PolarHBondContact O-OG 3Å
233A86.8Confident84.5Confident31 Ų3175.3 Ų75.326%0.25643%0.425SS..Hα-helixtrans-62.2-38.1177.800000112.6Q229 R230 C231 V237 L478Q229-A233 WeakPolarHBondContact O-CB 3.22Å; Q229-A233 PolarHBondContact O-N 3.15Å; R230-A233 PolarHBondContact O-N 2.9Å; C231-A233 VanDerWaalsContact C-N 3.35Å; C231-A233 PolarHBondContact O-N 3.27Å; A233-V237 WeakPolarHBondContact O-CB 3.37Å; A233-V237 VanDerWaalsContact O-CG2 3.23Å; A233-V237 WeakPolarHBondContact O-CG2 3.22Å; A233-V237 PolarHBondContact O-N 3.35Å; A233-L478 HydrophobicContact CB-CD2 3.64Å
234Q83.4Confident83.8Confident56 Ų5678.4 Ų78.426%0.26244%0.44SS..Hα-helixtrans-62.7-45.3174-73.4173.5-26.700111.4R230 C231 V232 V237 G238 L478 F479R230-Q234 VanDerWaalsContact O-CG 3.3Å; R230-Q234 WeakPolarHBondContact O-CG 3.39Å; R230-Q234 PolarHBondContact O-N 3.05Å; C231-Q234 WeakPolarHBondContact O-CB 3.44Å; C231-Q234 PolarHBondContact O-N 3.12Å; V232-Q234 VanDerWaalsContact C-N 3.32Å; V232-Q234 PolarHBondContact O-N 3.14Å; Q234-V237 PolarHBondContact O-N 3.31Å; Q234-G238 PolarHBondContact O-N 3.3Å; Q234-L478 PolarHBondContact NE2-O 3.09Å; Q234-F479 HydrophobicContact CB-CE1 4.03Å; Q234-F479 HydrophobicContact CB-CZ 4.42Å; Q234-F479 HydrophobicContact CG-CD1 4.04Å; Q234-F479 HydrophobicContact CG-CE1 3.79Å; Q234-F479 HydrophobicContact CG-CZ 4.32Å
235V87Confident83Confident81 Ų8177.7 Ų77.749%0.49143%0.432SS..Hα-helixtrans-63.9-44.4177.1173.70000111.3C231 V232 V237 G238 L239C231-V235 WeakPolarHBondContact O-CG2 3.37Å; C231-V235 PolarHBondContact O-N 2.93Å; V232-V235 PolarHBondContact O-N 3.26Å; V235-V237 PolarHBondContact O-N 2.66Å; V235-G238 PolarHBondContact O-N 3.19Å; V235-L239 HydrophobicContact CG1-CD1 3.79Å; V235-L239 HydrophobicContact CG1-CG 4.48Å; V235-L239 WeakPolarHBondContact O-CB 3Å; V235-L239 WeakPolarHBondContact O-CG 2.92Å; V235-L239 PolarHBondContact O-N 3.1Å
236S84Confident82.1Confident67 Ų6775.6 Ų75.647%0.46942%0.419SS..Hα-helixtrans-62.2-41.7177.5-580000112.5V232 Y240V232-S236 PolarHBondContact O-N 2.98Å; V232-S236 PolarHBondContact O-OG 3Å; S236-Y240 WeakPolarHBondContact O-CB 3.41Å; S236-Y240 PolarHBondContact O-N 2.94Å
237V84.3Confident81.1Confident38 Ų3876.2 Ų76.223%0.2342%0.423CS..Hα-helixtrans-66.6-41.2175.4171.70000110.7A233 Q234 V235 Y240 F241 L478 F479A233-V237 WeakPolarHBondContact O-CB 3.37Å; A233-V237 VanDerWaalsContact O-CG2 3.23Å; A233-V237 WeakPolarHBondContact O-CG2 3.22Å; A233-V237 PolarHBondContact O-N 3.35Å; Q234-V237 PolarHBondContact O-N 3.31Å; V235-V237 PolarHBondContact O-N 2.66Å; V237-Y240 WeakPolarHBondContact O-CB 3.23Å; V237-Y240 PolarHBondContact O-N 2.96Å; V237-F241 HydrophobicContact CG1-CD2 3.75Å; V237-F241 HydrophobicContact CG1-CE2 3.5Å; V237-F241 VanDerWaalsContact CG1-CE2 3.5Å; V237-F241 WeakPolarHBondContact O-CD2 3.35Å; V237-F241 PolarHBondContact O-N 3.1Å; V237-F241 VanDerWaalsContact O-N 3.14Å; V237-L478 HydrophobicContact CG2-CD1 4.23Å; V237-F479 HydrophobicContact CG1-CE2 4.49Å
238G80.2Confident79.8Confident39 Ų3977.4 Ų77.440%0.40244%0.438SS..Hα-helixtrans-60.5-46.7175.200000113Q234 V235 Y240 F241 H242Q234-G238 PolarHBondContact O-N 3.3Å; V235-G238 PolarHBondContact O-N 3.19Å; G238-Y240 VanDerWaalsContact C-N 3.33Å; G238-Y240 PolarHBondContact O-N 3.39Å; G238-F241 PolarHBondContact O-N 3.49Å; G238-H242 PolarHBondContact O-N 3.38Å
239L82.9Confident78.7Confident117 Ų11782.9 Ų82.961%0.61345%0.447SS*.Hα-helixtrans-61.5-39.3175.7-79.9160.2000112.3V235 H242 A243V235-L239 HydrophobicContact CG1-CD1 3.79Å; V235-L239 HydrophobicContact CG1-CG 4.48Å; V235-L239 WeakPolarHBondContact O-CB 3Å; V235-L239 WeakPolarHBondContact O-CG 2.92Å; V235-L239 PolarHBondContact O-N 3.1Å; L239-H242 PolarHBondContact O-N 3.37Å; L239-A243 WeakPolarHBondContact O-CB 3.41Å; L239-A243 PolarHBondContact O-N 2.94Å
240Y79.8Confident77.4Confident155 Ų15580 Ų8061%0.60844%0.439SS*.Hα-helixtrans-60.6-48.6176.5-179-88.7000111.7S236 V237 G238 H242 A243 D244S236-Y240 WeakPolarHBondContact O-CB 3.41Å; S236-Y240 PolarHBondContact O-N 2.94Å; V237-Y240 WeakPolarHBondContact O-CB 3.23Å; V237-Y240 PolarHBondContact O-N 2.96Å; G238-Y240 VanDerWaalsContact C-N 3.33Å; G238-Y240 PolarHBondContact O-N 3.39Å; Y240-H242 VanDerWaalsContact C-N 3.34Å; Y240-H242 PolarHBondContact O-N 2.99Å; Y240-A243 PolarHBondContact O-N 3.33Å; Y240-D244 PolarHBondContact O-N 2.89Å
241F79.1Confident76.1Confident106 Ų10679.7 Ų79.747%0.46545%0.449SS..Hα-helixtrans-66.5-34.8177.9-75.8-65.4000112.8V237 G238 S245V237-F241 HydrophobicContact CG1-CD2 3.75Å; V237-F241 HydrophobicContact CG1-CE2 3.5Å; V237-F241 VanDerWaalsContact CG1-CE2 3.5Å; V237-F241 WeakPolarHBondContact O-CD2 3.35Å; V237-F241 PolarHBondContact O-N 3.1Å; V237-F241 VanDerWaalsContact O-N 3.14Å; G238-F241 PolarHBondContact O-N 3.49Å; F241-S245 PolarHBondContact O-N 3.45Å; F241-S245 VanDerWaalsContact O-N 3.11Å
242H76.7Confident74.7Confident117 Ų11779.6 Ų79.654%0.54245%0.453SS..Hα-helixtrans-66.1-43.3175.5-166.3-75.1000111.7G238 L239 Y240 S245 E246G238-H242 PolarHBondContact O-N 3.38Å; L239-H242 PolarHBondContact O-N 3.37Å; Y240-H242 VanDerWaalsContact C-N 3.34Å; Y240-H242 PolarHBondContact O-N 2.99Å; H242-S245 PolarHBondContact O-N 3.01Å; H242-S245 PolarHBondContact O-OG 3.2Å; H242-E246 PolarHBondContact O-N 3.32Å; H242-E246 VanDerWaalsContact O-N 3.08Å
243A74.8Confident73.3Confident50 Ų5080.4 Ų80.441%0.41346%0.458SS..Hα-helixtrans-63.5-41.217700000112.5L239 Y240 S245 E246 I247L239-A243 WeakPolarHBondContact O-CB 3.41Å; L239-A243 PolarHBondContact O-N 2.94Å; Y240-A243 PolarHBondContact O-N 3.33Å; A243-S245 VanDerWaalsContact C-N 3.3Å; A243-S245 PolarHBondContact O-N 3.32Å; A243-E246 PolarHBondContact O-N 3.21Å; A243-I247 VanDerWaalsContact O-CG1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.19Å; A243-I247 PolarHBondContact O-N 2.83Å
244D73.6Confident71.7Confident85 Ų8587.9 Ų87.946%0.45549%0.485SS..Hα-helixtrans-64.5-36.9176.9-156.118.6000111.3Y240 I247 A248Y240-D244 PolarHBondContact O-N 2.89Å; D244-I247 PolarHBondContact O-N 3.15Å; D244-A248 WeakPolarHBondContact O-CB 3.17Å; D244-A248 PolarHBondContact O-N 3.36Å
245S71.1Confident70.1Confident45 Ų4594.4 Ų94.432%0.31551%0.512SS..Hα-helixtrans-66.6-37.217579.80000113.3F241 H242 A243 A248 R249F241-S245 PolarHBondContact O-N 3.45Å; F241-S245 VanDerWaalsContact O-N 3.11Å; H242-S245 PolarHBondContact O-N 3.01Å; H242-S245 PolarHBondContact O-OG 3.2Å; A243-S245 VanDerWaalsContact C-N 3.3Å; A243-S245 PolarHBondContact O-N 3.32Å; S245-A248 PolarHBondContact O-N 2.66Å; S245-R249 WeakPolarHBondContact O-CB 3.43Å; S245-R249 WeakPolarHBondContact O-CG 3.48Å; S245-R249 PolarHBondContact O-N 2.81Å
246E69.7Low67.9Low76 Ų7693.6 Ų93.636%0.35551%0.514SS..Hα-helixtrans-72.3-37.8175.1-81.8-58.6136.100112.1H242 A243 A248 R249 T250H242-E246 PolarHBondContact O-N 3.32Å; H242-E246 VanDerWaalsContact O-N 3.08Å; A243-E246 PolarHBondContact O-N 3.21Å; E246-A248 VanDerWaalsContact C-N 3.32Å; E246-A248 PolarHBondContact O-N 2.83Å; E246-R249 PolarHBondContact O-N 3.44Å; E246-R249 IonicContact OE1-NH1 2.93Å; E246-R249 PolarHBondContact OE1-NH1 2.96Å; E246-T250 WeakPolarHBondContact O-CB 3.3Å; E246-T250 WeakPolarHBondContact O-CG2 3.39Å; E246-T250 PolarHBondContact O-N 3.48Å; E246-T250 PolarHBondContact O-OG1 2.87Å
247I65.8Low66Low107 Ų10796.2 Ų96.255%0.54953%0.53SS..Hα-helixtrans-62.7-41.9172-67.3165.6000110A243 D244 T250 A251A243-I247 VanDerWaalsContact O-CG1 3.29Å; A243-I247 WeakPolarHBondContact O-CG1 3.19Å; A243-I247 PolarHBondContact O-N 2.83Å; D244-I247 PolarHBondContact O-N 3.15Å; I247-T250 WeakPolarHBondContact CA-OG1 3.22Å; I247-T250 PolarHBondContact O-OG1 2.69Å; I247-T250 VanDerWaalsContact O-OG1 3.13Å; I247-A251 WeakPolarHBondContact O-CB 3.46Å; I247-A251 PolarHBondContact O-N 2.85Å
248A61.4Low64.1Low61 Ų61100.1 Ų100.150%0.50456%0.559SS.*Hα-helixtrans-64.5-41.8175.600000112.4D244 S245 E246 A252D244-A248 WeakPolarHBondContact O-CB 3.17Å; D244-A248 PolarHBondContact O-N 3.36Å; S245-A248 PolarHBondContact O-N 2.66Å; E246-A248 VanDerWaalsContact C-N 3.32Å; E246-A248 PolarHBondContact O-N 2.83Å; A248-A252 WeakPolarHBondContact O-CB 3.38Å; A248-A252 PolarHBondContact O-N 3.26Å
249R63.5Low62.1Low152 Ų152105.7 Ų105.757%0.57458%0.578SS**Hα-helixtrans-64.7-47.8175.3-78.8179.5179.2149.40.5112.3S245 E246 A251 A252 V253S245-R249 WeakPolarHBondContact O-CB 3.43Å; S245-R249 WeakPolarHBondContact O-CG 3.48Å; S245-R249 PolarHBondContact O-N 2.81Å; E246-R249 PolarHBondContact O-N 3.44Å; E246-R249 IonicContact OE1-NH1 2.93Å; E246-R249 PolarHBondContact OE1-NH1 2.96Å; R249-A251 VanDerWaalsContact C-N 3.33Å; R249-A251 PolarHBondContact O-N 3.26Å; R249-A252 WeakPolarHBondContact O-CB 3.27Å; R249-A252 PolarHBondContact O-N 2.94Å; R249-A252 VanDerWaalsContact O-N 3.16Å; R249-V253 WeakPolarHBondContact O-CG2 3.36Å; R249-V253 PolarHBondContact O-N 3.28Å
250T62.2Low59.8Low74 Ų74105.7 Ų105.745%0.45459%0.588SS.*Hα-helixtrans-67.7-32.7179.654.10000112.4E246 I247 K254E246-T250 WeakPolarHBondContact O-CB 3.3Å; E246-T250 WeakPolarHBondContact O-CG2 3.39Å; E246-T250 PolarHBondContact O-N 3.48Å; E246-T250 PolarHBondContact O-OG1 2.87Å; I247-T250 WeakPolarHBondContact CA-OG1 3.22Å; I247-T250 PolarHBondContact O-OG1 2.69Å; I247-T250 VanDerWaalsContact O-OG1 3.13Å; T250-K254 PolarHBondContact O-N 3.46Å; T250-K254 VanDerWaalsContact O-N 3.12Å
251A58Low57.9Low53 Ų53105.5 Ų105.544%0.43860%0.596SS.*Hα-helixtrans-69.2-33.9171.100000112.6I247 R249 K255I247-A251 WeakPolarHBondContact O-CB 3.46Å; I247-A251 PolarHBondContact O-N 2.85Å; R249-A251 VanDerWaalsContact C-N 3.33Å; R249-A251 PolarHBondContact O-N 3.26Å; A251-K255 PolarHBondContact O-N 3.09Å
252A56.5Low55.9Low65 Ų65110 Ų11054%0.53762%0.615SS.*Hα-helixtrans-69.8-40.5174.200000112A248 R249 K254 K255A248-A252 WeakPolarHBondContact O-CB 3.38Å; A248-A252 PolarHBondContact O-N 3.26Å; R249-A252 WeakPolarHBondContact O-CB 3.27Å; R249-A252 PolarHBondContact O-N 2.94Å; R249-A252 VanDerWaalsContact O-N 3.16Å; A252-K254 PolarHBondContact O-N 2.89Å; A252-K255 PolarHBondContact O-N 2.98Å
253V57.8Low53.8Low114 Ų114112 Ų11269%0.69163%0.629SS**Hα-helixtrans-66.2-36.6176.7174.70000111.7R249 K255 A256R249-V253 WeakPolarHBondContact O-CG2 3.36Å; R249-V253 PolarHBondContact O-N 3.28Å; V253-K255 VanDerWaalsContact C-N 3.26Å; V253-K255 PolarHBondContact O-N 3.32Å; V253-A256 WeakPolarHBondContact O-CB 3.47Å; V253-A256 PolarHBondContact O-N 3.02Å
254K54.9Low52Low188 Ų188115.3 Ų115.382%0.81765%0.649SS**THydrogen-bonded Turntrans-74-10.8176-76.1-177.9178.8179.50114.7T250 A252T250-K254 PolarHBondContact O-N 3.46Å; T250-K254 VanDerWaalsContact O-N 3.12Å; A252-K254 PolarHBondContact O-N 2.89Å
255K48.5Very low50.2Low193 Ų193120.1 Ų120.184%0.83967%0.666SS**THydrogen-bonded Turntrans-96.82.5173.8-92.7-177.5175.9179.10113.5A251 A252 V253A251-K255 PolarHBondContact O-N 3.09Å; A252-K255 PolarHBondContact O-N 2.98Å; V253-K255 VanDerWaalsContact C-N 3.26Å; V253-K255 PolarHBondContact O-N 3.32Å
256A41.3Very low48.6Very low64 Ų64125.8 Ų125.853%0.52969%0.693SS.*SBendtrans-74134.9173.400000110.7V253 S258V253-A256 WeakPolarHBondContact O-CB 3.47Å; V253-A256 PolarHBondContact O-N 3.02Å; A256-S258 PolarHBondContact O-N 3.42Å
257P44Very low46.9Very low122 Ų122134 Ų13479%0.79272%0.721SS**  trans-65.7132.6179.626.9-31.3000110.3L259P257-L259 PolarHBondContact O-N 2.79Å; P257-L259 VanDerWaalsContact O-N 3.11Å
258S44.7Very low45.6Very low120 Ų120132.6 Ų132.684%0.83973%0.732SS**  trans-63.4106.6-17953.30000111.5A256 S260A256-S258 PolarHBondContact O-N 3.42Å; S258-S260 PolarHBondContact O-N 3.48Å
259L38.5Very low44.1Very low156 Ų156139.8 Ų139.882%0.81775%0.752SS**  trans-84.1106.3162.5-123.8114000108.3P257 I261P257-L259 PolarHBondContact O-N 2.79Å; P257-L259 VanDerWaalsContact O-N 3.11Å; L259-I261 PolarHBondContact O-N 3.46Å
260S33.9Very low42.8Very low116 Ų116144.2 Ų144.281%0.81177%0.769SS**  trans-68112.2174.652.30000110.6S258S258-S260 PolarHBondContact O-N 3.48Å
261I39Very low41.5Very low152 Ų152146.4 Ų146.478%0.77979%0.787SS**  trans-115.5123.1165.2-63.4179.8000108.3L259L259-I261 PolarHBondContact O-N 3.46Å
262K38.4Very low40.5Very low200 Ų200152 Ų15287%0.8781%0.809SS**  trans-63.1143.6-175.6-75175.7175.3175.30112
263L32.1Very low39.6Very low158 Ų158154.7 Ų154.783%0.82782%0.821SS**  trans-53.5143.7173.4-83.687.2000113.3
264S36.3Very low38.5Very low121 Ų121158.5 Ų158.585%0.84683%0.834SS**  trans-129.7122.4138.1-172.40000109.5
265K36.9Very low37.7Very low186 Ų186153.6 Ų153.681%0.80983%0.829SS**  trans-67.7128.8175.5-84.1170.2171.4167.80109
266N36.8Very low37.2Very low164 Ų164150.4 Ų150.488%0.87783%0.827SS**  trans-144.3135.8140.7-140.6-7.5000112.9
267R35.4Very low36.8Very low248 Ų248154.7 Ų154.794%0.93684%0.842SS**  trans-76.3134.7-169.7-76.1170.7170.3166.8-3.4110.9
268G36.9Very low36.4Very low77 Ų77156.4 Ų156.479%0.79484%0.842SS**  trans-150.196.1163.300000109.9
269K31.5Very low35.8Very low212 Ų212156.3 Ų156.392%0.92284%0.837SS**  trans-66.5124.1174.5-75.5174.6173.8178.40109.6
270R35Very low35.7Very low245 Ų245155.2 Ų155.293%0.92584%0.836SS**  trans-151.5131.3150-108.3175.2-168.3178.73110.1
271S34.7Very low35.9Very low120 Ų120155.7 Ų155.784%0.83983%0.834SS**PPolyproline II helixtrans-68.5138.5-172.543.30000113.7
272L37.1Very low35.7Very low170 Ų170152 Ų15289%0.8983%0.834SS**PPolyproline II helixtrans-102.9138.7168.2-85.8155.9000109.7
273P37.2Very low35.5Very low123 Ų123148.1 Ų148.180%0.79983%0.831SS**PPolyproline II helixtrans-82.8148174.932.1-29.6000112.5
274M36.2Very low35.9Very low193 Ų193146.3 Ų146.395%0.95183%0.829SS**PPolyproline II helixtrans-52.7138.4178.9-98165.813600114.6
275A37.4Very low35.7Very low86 Ų86150.8 Ų150.871%0.71183%0.834SS**PPolyproline II helixtrans-91.9139.8160.200000110.2
276P39Very low35.6Very low125 Ų125145.6 Ų145.681%0.81283%0.833SS**PPolyproline II helixtrans-80.8138.6-178.231.6-31.3000111.9
277N32.6Very low35.4Very low155 Ų155141.6 Ų141.683%0.82983%0.83SS**PPolyproline II helixtrans-74.5127.4174.5-68.1-56.2000110.7
278I35Very low35.2Very low158 Ų158136 Ų13681%0.8183%0.83SS**  trans-105.7113.8162.7-65.6178000108.4
279V32.6Very low34.9Very low118 Ų118144 Ų14472%0.71584%0.836SS**  trans-77.9124.1175.1174.50000108.7T281V279-T281 HydrophobicContact CG1-CG2 4.2Å
280V36.9Very low34.7Very low133 Ų133140.9 Ų140.981%0.80683%0.829SS**  trans-102.5111.7165.5179.30000107.5
281T37Very low34.6Very low126 Ų126136.2 Ų136.277%0.77383%0.827SS**PPolyproline II helixtrans-73136176.7450000110.8V279V279-T281 HydrophobicContact CG1-CG2 4.2Å
282G34.6Very low34.1Very low75 Ų75141 Ų14177%0.77383%0.826SS**PPolyproline II helixtrans-76.4147.9-175.400000114.2
283S33.9Very low33.8Very low117 Ų117137.3 Ų137.382%0.81882%0.82SS**PPolyproline II helixtrans-81.7134.7173.1-171.10000111
284P41.4Very low33.4Very low121 Ų121143.2 Ų143.279%0.78683%0.827SS**PPolyproline II helixtrans-82.5131.1175.830-27.7000111.5
285K32.5Very low33Very low214 Ų214139.6 Ų139.693%0.9382%0.82SS**PPolyproline II helixtrans-67135.8171.8-65.5174.1176.5174.70110.3
286G33.9Very low32.8Very low77 Ų77140.9 Ų140.979%0.79482%0.824SS**  trans-162.190.1174.300000114.9
287G32.9Very low32.4Very low80 Ų80142.8 Ų142.883%0.82582%0.822SS**  trans40.8100.914700000121.9
288S31.5Very low32.3Very low132 Ų132142.9 Ų142.992%0.92381%0.812SS**  trans-88.8112158.1-53.80000110.2
289R31.4Very low32.2Very low244 Ų244140.1 Ų140.192%0.92181%0.813SS**  trans-97.4122.5167.2-155.9-179.5-74.1-152.91109.3
290L27.3Very low32Very low147 Ų147140.1 Ų140.177%0.7782%0.818SS**  trans-58.5131.7173.6-11785000111.3
291V31.5Very low31.7Very low146 Ų146145.1 Ų145.189%0.88582%0.822SS**  trans-134.9124.7150.6-179.70000109.2
292R25.3Very low31.3Very low220 Ų220150.8 Ų150.883%0.8383%0.83SS**  trans-105.3124.1-179.5171.3-168.5-71.5165.2-4107.7
293A29.8Very low31.1Very low93 Ų93152.5 Ų152.577%0.76983%0.828SS**  trans-155102.3156.600000107.7
294R29.6Very low31.1Very low248 Ų248153 Ų15394%0.93683%0.825SS**  79127.888.3-113.6-177.6-177.31780.8113.8
295S27.7Very low30.6Very low116 Ų116152.8 Ų152.881%0.81183%0.826SS**  trans-64.7151-17351.40000115.9
296S32.3Very low30.5Very low114 Ų114148.5 Ų148.580%0.79781%0.81SS**  trans-153.7122.9143.3-179.40000110.8
297Q30.7Very low30.2Very low165 Ų165148.6 Ų148.677%0.77181%0.811SS**  trans-76.5173.4170.9-81.6168.8-37.200112.3
298Y30.1Very low30Very low157 Ų157153.6 Ų153.662%0.61681%0.805SS**  trans90.1101.8168.6-79.8-93.5000118.9
299A33.3Very low30Very low99 Ų99152.6 Ų152.682%0.81880%0.798SS**  -173.9123.5114.300000111.4
300S29.1Very low30Very low119 Ų119146 Ų14683%0.83279%0.79SS**  trans-66.5117177.547.50000113.3
301R29.4Very low30.1Very low237 Ų237144.6 Ų144.689%0.89479%0.79SS**  trans-142.9117.2157.4-172.8172.1-90.3-150.7-3.3107.4
302W29.5Very low30Very low246 Ų246142 Ų14293%0.93278%0.777SS**  trans-49.1124.5-177.9-77.887.9000111V304W302-V304 PolarHBondContact O-N 3.32Å
303P31.2Very low30.5Very low111 Ų111139.2 Ų139.272%0.72178%0.777SS**  trans-73.6129.8175.528.9-29.4000108.5S305P303-S305 PolarHBondContact O-N 3.38Å; P303-S305 VanDerWaalsContact O-N 3.16Å
304V33Very low30.6Very low126 Ų126142.6 Ų142.676%0.76478%0.782SS**  trans-39.3120.4157.5172.90000107.9W302 E306W302-V304 PolarHBondContact O-N 3.32Å; V304-E306 PolarHBondContact O-N 3.45Å
305S30.2Very low30.5Very low117 Ų117139.7 Ų139.782%0.81877%0.772SS**  trans-67.185.6173.268.10000108.4P303 G307P303-S305 PolarHBondContact O-N 3.38Å; P303-S305 VanDerWaalsContact O-N 3.16Å; S305-G307 PolarHBondContact O-N 3.14Å
306E30.1Very low30.7Very low125 Ų125139.4 Ų139.458%0.58477%0.77SS**  trans-60.294.3155.1-75.7-165.1154.900107.2V304 R308V304-E306 PolarHBondContact O-N 3.45Å; E306-R308 HydrophobicContact CB-CB 4.39Å; E306-R308 PolarHBondContact O-N 3.23Å; E306-R308 IonicContact OE1-CZ 3.36Å; E306-R308 IonicContact OE1-NE 2.66Å; E306-R308 IonicContact OE1-NH2 3.32Å; E306-R308 PolarHBondContact OE1-NH2 2.93Å; E306-R308 IonicContact OE2-CZ 2.66Å; E306-R308 VanDerWaalsContact OE2-CZ 3.28Å; E306-R308 IonicContact OE2-NE 3.33Å; E306-R308 PolarHBondContact OE2-NE 2.97Å; E306-R308 IonicContact OE2-NH2 3.46Å; E306-R308 PolarHBondContact OE2-NH2 2.94Å
307G28.8Very low30.6Very low79 Ų79141 Ų14181%0.81476%0.762SS**  trans-69.260.6158.300000109.5S305 S309S305-G307 PolarHBondContact O-N 3.14Å; G307-S309 PolarHBondContact O-N 3.4Å; G307-S309 VanDerWaalsContact O-N 3.1Å
308R27.9Very low30.7Very low184 Ų184136.5 Ų136.569%0.69475%0.749SS**  trans-75.591.2171.9-146.1-177.3-84.2-129.90.9105.7E306 S310E306-R308 HydrophobicContact CB-CB 4.39Å; E306-R308 PolarHBondContact O-N 3.23Å; E306-R308 IonicContact OE1-CZ 3.36Å; E306-R308 IonicContact OE1-NE 2.66Å; E306-R308 IonicContact OE1-NH2 3.32Å; E306-R308 PolarHBondContact OE1-NH2 2.93Å; E306-R308 IonicContact OE2-CZ 2.66Å; E306-R308 VanDerWaalsContact OE2-CZ 3.28Å; E306-R308 IonicContact OE2-NE 3.33Å; E306-R308 PolarHBondContact OE2-NE 2.97Å; E306-R308 IonicContact OE2-NH2 3.46Å; E306-R308 PolarHBondContact OE2-NH2 2.94Å; R308-S310 PolarHBondContact O-N 2.9Å
309S31.9Very low31.1Very low111 Ų111137.8 Ų137.878%0.77676%0.761SS**  trans-68.6103.8163.159.70000107G307 C311G307-S309 PolarHBondContact O-N 3.4Å; G307-S309 VanDerWaalsContact O-N 3.1Å; S309-C311 PolarHBondContact O-N 2.88Å
310S30.5Very low31.3Very low107 Ų107136.6 Ų136.675%0.74875%0.746SS**  trans-44.9117.1176.8-46.90000112.5R308R308-S310 PolarHBondContact O-N 2.9Å
311C30.1Very low31.7Very low116 Ų116135.3 Ų135.378%0.78473%0.73SS**  trans-114.4115.9146.8-840000106.1S309 L313S309-C311 PolarHBondContact O-N 2.88Å; C311-L313 PolarHBondContact O-N 3.39Å
312P30.4Very low32.2Very low93 Ų93129.6 Ų129.660%0.60471%0.714SS**  trans-80.4108166.430.1-23.5000107.2L439P312-L439 HydrophobicContact CG-CD1 4.24Å; P312-L439 HydrophobicContact CG-CD2 4.29Å; P312-L439 HydrophobicContact CG-CG 4.49Å
313L35Very low32.7Very low161 Ų161126.3 Ų126.384%0.84371%0.706SS**  trans-107.2108.5158.6-81.5173.5000107.2C311 Y315C311-L313 PolarHBondContact O-N 3.39Å; L313-Y315 PolarHBondContact O-N 2.87Å
314L31.1Very low33.1Very low164 Ų164127.3 Ų127.386%0.85970%0.701SS**  trans-52.3103.3155.9-81.6151000107.4A442L314-A442 HydrophobicContact CD1-CB 4.46Å
315Y28.1Very low33.2Very low187 Ų187127.1 Ų127.173%0.73370%0.695SS**  trans-94106163.8-159.8-99.9000106.5L313 K317L313-Y315 PolarHBondContact O-N 2.87Å; Y315-K317 PolarHBondContact O-N 3.47Å
316S33Very low33.7Very low109 Ų109126.5 Ų126.576%0.76269%0.687SS**  trans-57.7115.7163174.20000107.4S318S316-S318 PolarHBondContact O-N 3.27Å
317K29.7Very low34Very low148 Ų148130.3 Ų130.364%0.64370%0.696SS**  trans-79.2102.3-177.4-163.2176.9-175.7-169.30108Y315Y315-K317 PolarHBondContact O-N 3.47Å
318S33.4Very low34.5Very low70 Ų70132 Ų13249%0.4969%0.689SS.*  trans-76.4127.4164.2173.40000108.5S316 S320S316-S318 PolarHBondContact O-N 3.27Å; S318-S320 PolarHBondContact O-N 2.91Å; S318-S320 PolarHBondContact OG-OG 3.48Å
319E37.5Very low35.1Very low184 Ų184130.2 Ų130.286%0.8669%0.689SS**THydrogen-bonded Turntrans-63.95.7-177.2-92.2172118.800115.5
320S38.1Very low35.4Very low74 Ų74130.2 Ų130.252%0.51769%0.689SS.*THydrogen-bonded Turntrans-88.6-27-179.254.20000114.6S318 Q322S318-S320 PolarHBondContact O-N 2.91Å; S318-S320 PolarHBondContact OG-OG 3.48Å; S320-Q322 PolarHBondContact O-N 2.97Å
321D37.3Very low35.7Very low92 Ų92129 Ų12949%0.49269%0.685SS.*THydrogen-bonded Turntrans-87.5-1.7-173.7-76.7-12.6000114.4
322Q39.8Very low36Very low117 Ų117133.7 Ų133.755%0.54769%0.686SS.*THydrogen-bonded Turntrans-89.3-5.6-177.4-152.7155.5-14.400113.4S320 T326S320-Q322 PolarHBondContact O-N 2.97Å; Q322-T326 PolarHBondContact O-OG1 3.08Å
323K39.7Very low36.1Very low178 Ų178137 Ų13777%0.77470%0.699SS**THydrogen-bonded Turntrans-93.5-16172.7-76.9-178.1176.2178.40114T326K323-T326 PolarHBondContact O-OG1 2.96Å
324E38.9Very low36.2Very low131 Ų131134.5 Ų134.561%0.61270%0.695SS**THydrogen-bonded Turntrans-88-32.2177.4-144.694.9-170.200112.1T326 R327E324-T326 VanDerWaalsContact C-N 3.3Å; E324-T326 PolarHBondContact O-N 3.48Å; E324-R327 PolarHBondContact O-N 3.29Å
325L36.1Very low36.2Very low123 Ų123135.3 Ų135.364%0.64470%0.699SS**THydrogen-bonded Turntrans-75.4-13.7-177.1-114.284.8000114.8H329L325-H329 PolarHBondContact O-ND1 3.25Å
326T40.6Very low36.6Very low104 Ų104135.3 Ų135.364%0.63871%0.706SS**THydrogen-bonded Turntrans-90-17.6175.228.60000113.2Q322 K323 E324Q322-T326 PolarHBondContact O-OG1 3.08Å; K323-T326 PolarHBondContact O-OG1 2.96Å; E324-T326 VanDerWaalsContact C-N 3.3Å; E324-T326 PolarHBondContact O-N 3.48Å
327R35.9Very low36.6Very low205 Ų205134.3 Ų134.377%0.77471%0.713SS**THydrogen-bonded Turntrans-79.2-26.7170.1-88.5-176.1-171.6149.91.2113.4E324 H329E324-R327 PolarHBondContact O-N 3.29Å; R327-H329 VanDerWaalsContact C-N 3.35Å
328V40.3Very low36.9Very low113 Ų113134.8 Ų134.869%0.68571%0.712SS**THydrogen-bonded Turntrans-82.8-11.3-176.6-177.40000113
329H39.9Very low37.4Very low148 Ų148135.7 Ų135.769%0.68571%0.712SS**THydrogen-bonded Turntrans-91.6-1.9176.6-84.392000114.9L325 R327L325-H329 PolarHBondContact O-ND1 3.25Å; R327-H329 VanDerWaalsContact C-N 3.35Å
330S37.4Very low37.8Very low111 Ų111130.5 Ų130.578%0.77669%0.694SS**SBendtrans-103.42.3179.5-166.90000114.6
331A36.6Very low38.3Very low81 Ų81133.8 Ų133.867%0.66970%0.699SS**  trans-109.323.2-177.700000113.1
332R36.5Very low38.4Very low214 Ų214135.1 Ų135.181%0.80871%0.706SS**  trans-93.82.5-173.4-147.1179.2-179.5113.62.5114.8
333D34.1Very low38.6Very low162 Ų162131.8 Ų131.887%0.86669%0.69SS**  trans-118.473.3178.7-67.2-36.4000110.6
334S36.3Very low38.9Very low109 Ų109129.2 Ų129.276%0.76268%0.683SS**  trans-152.896.9165.1-52.30000108.4E336S334-E336 PolarHBondContact O-N 2.89Å
335L31.4Very low39.1Very low181 Ų181129.6 Ų129.695%0.94869%0.69SS**  trans-8881.6-174.9-166.493.2000109.3
336E37.1Very low39.3Very low187 Ų187130.1 Ų130.187%0.87469%0.693SS**  trans-136.5143.8173.1-76.1-173.3144.600112.3S334S334-E336 PolarHBondContact O-N 2.89Å
337G31.5Very low39Very low89 Ų89129 Ų12992%0.91869%0.689SS**  trans-55.5130-159.100000116.1
338Y37.6Very low39.3Very low158 Ų158124.9 Ų124.962%0.6269%0.689SS**  trans-114111.5178.5-172.3-106.7000110.7K125 F343K125-Y338 PolarHBondContact NZ-OH 3Å; Y338-F343 HydrophobicContact CD1-CE1 4.21Å; Y338-F343 HydrophobicContact CD1-CZ 4.23Å; Y338-F343 HydrophobicContact CE1-CD1 4.33Å; Y338-F343 AromaticContact CE1-CE1 3.23Å; Y338-F343 HydrophobicContact CE1-CE1 3.23Å; Y338-F343 AromaticContact CE1-CZ 3.3Å; Y338-F343 HydrophobicContact CE1-CZ 3.3Å; Y338-F343 AromaticContact CE2-CE1 3.9Å; Y338-F343 HydrophobicContact CE2-CE1 3.9Å; Y338-F343 AromaticContact CZ-CD1 3.8Å; Y338-F343 AromaticContact CZ-CE1 3.05Å; Y338-F343 AromaticContact CZ-CZ 3.65Å; Y338-F343 WeakPolarHBondContact OH-CD1 3.28Å; Y338-F343 WeakPolarHBondContact OH-CE1 3.34Å
339D43Very low39.1Very low89 Ų89124.9 Ų124.948%0.47669%0.691SS.*  trans-62.9122170.8179.4-7.5000110.4F341 N342 F343D339-F341 PolarHBondContact O-N 3.46Å; D339-F341 VanDerWaalsContact O-N 3.09Å; D339-F341 PolarHBondContact OD1-N 2.62Å; D339-N342 HydrophobicContact CB-CB 4.43Å; D339-F343 WeakPolarHBondContact O-CE1 3.13Å; D339-F343 WeakPolarHBondContact O-CZ 3.31Å
340P45.7Very low38.9Very low75 Ų75124 Ų12449%0.48769%0.691SS.*THydrogen-bonded Turntrans-64.4-6.5-179.9-18.330.8000116F343P340-F343 WeakPolarHBondContact O-CE2 3.36Å; P340-F343 WeakPolarHBondContact O-CZ 3.27Å
341F47.9Very low38.7Very low143 Ų143127.4 Ų127.463%0.62770%0.7SS**THydrogen-bonded Turntrans-116-1.7-173-62.6-74.7000115.2D339 F343 I344D339-F341 PolarHBondContact O-N 3.46Å; D339-F341 VanDerWaalsContact O-N 3.09Å; D339-F341 PolarHBondContact OD1-N 2.62Å; F341-F343 PolarHBondContact O-N 3.47Å; F341-I344 HydrophobicContact CB-CD1 4.27Å; F341-I344 HydrophobicContact CD1-CD1 4.26Å; F341-I344 WeakPolarHBondContact O-CG1 3.3Å; F341-I344 PolarHBondContact O-N 2.68Å
342N40.7Very low38.4Very low120 Ų120130.5 Ų130.564%0.64271%0.705SS**THydrogen-bonded Turntrans-74.912.4-172.9-146.42.1000115.3D339D339-N342 HydrophobicContact CB-CB 4.43Å
343F43.7Very low38.1Very low47 Ų47130.1 Ų130.121%0.20671%0.709CS.*THydrogen-bonded Turntrans-116.46.6-178.65.8-71.4000112.7Y338 D339 P340 F341 N345 D346Y338-F343 HydrophobicContact CD1-CE1 4.21Å; Y338-F343 HydrophobicContact CD1-CZ 4.23Å; Y338-F343 HydrophobicContact CE1-CD1 4.33Å; Y338-F343 AromaticContact CE1-CE1 3.23Å; Y338-F343 HydrophobicContact CE1-CE1 3.23Å; Y338-F343 AromaticContact CE1-CZ 3.3Å; Y338-F343 HydrophobicContact CE1-CZ 3.3Å; Y338-F343 AromaticContact CE2-CE1 3.9Å; Y338-F343 HydrophobicContact CE2-CE1 3.9Å; Y338-F343 AromaticContact CZ-CD1 3.8Å; Y338-F343 AromaticContact CZ-CE1 3.05Å; Y338-F343 AromaticContact CZ-CZ 3.65Å; Y338-F343 WeakPolarHBondContact OH-CD1 3.28Å; Y338-F343 WeakPolarHBondContact OH-CE1 3.34Å; D339-F343 WeakPolarHBondContact O-CE1 3.13Å; D339-F343 WeakPolarHBondContact O-CZ 3.31Å; P340-F343 WeakPolarHBondContact O-CE2 3.36Å; P340-F343 WeakPolarHBondContact O-CZ 3.27Å; F341-F343 PolarHBondContact O-N 3.47Å; F343-N345 PolarHBondContact O-N 3.09Å; F343-N345 VanDerWaalsContact O-N 3.1Å; F343-D346 PolarHBondContact O-N 3.29Å
344I46.8Very low37.9Very low124 Ų124128 Ų12864%0.63671%0.708SS**G310 helixtrans-62.3-15.5175.1-68.1172.7000111.5F341F341-I344 HydrophobicContact CB-CD1 4.27Å; F341-I344 HydrophobicContact CD1-CD1 4.26Å; F341-I344 WeakPolarHBondContact O-CG1 3.3Å; F341-I344 PolarHBondContact O-N 2.68Å
345N41.8Very low37.4Very low139 Ų139128.5 Ų128.574%0.74371%0.711SS**G310 helixtrans-83.6-7177-65-25000115.3F343 C347F343-N345 PolarHBondContact O-N 3.09Å; F343-N345 VanDerWaalsContact O-N 3.1Å; N345-C347 VanDerWaalsContact C-N 3.32Å; N345-C347 PolarHBondContact O-N 3.19Å
346D40.3Very low37.6Very low133 Ų133125.9 Ų125.971%0.71170%0.704SS**G310 helixtrans-90.216.4-177.2-76.3-31.2000114.5F343 P348F343-D346 PolarHBondContact O-N 3.29Å; D346-P348 VanDerWaalsContact O-CD 3.32Å; D346-P348 WeakPolarHBondContact O-CD 3.2Å
347C35.4Very low37.1Very low81 Ų81121.8 Ų121.855%0.54770%0.697SS.*SBendtrans-86.9108.4166.4-117.20000108.1N345 P349N345-C347 VanDerWaalsContact C-N 3.32Å; N345-C347 PolarHBondContact O-N 3.19Å; C347-P349 WeakPolarHBondContact O-CD 3.38Å
348P40.8Very low37.1Very low119 Ų119126.2 Ų126.277%0.77370%0.698SS**  trans-63.4126.5178.125.7-31.5000109D346D346-P348 VanDerWaalsContact O-CD 3.32Å; D346-P348 WeakPolarHBondContact O-CD 3.2Å
349P36.5Very low36.6Very low113 Ų113126.4 Ų126.473%0.73471%0.705SS**  trans-77.6125.7175.131.1-29.2000108.9C347C347-P349 WeakPolarHBondContact O-CD 3.38Å
350N35.8Very low36Very low130 Ų130130.5 Ų130.570%0.69572%0.721SS**  trans48.584.4153.1-61.6-26.9000118.9L352N350-L352 HydrophobicContact CB-CB 4.46Å; N350-L352 PolarHBondContact O-N 3.49Å
351D33.1Very low35.3Very low181 Ų181132.4 Ų132.497%0.96874%0.736SS**  trans-84.971.3144.9-83.7-33.9000109.1
352L30.7Very low34.4Very low147 Ų147134.6 Ų134.677%0.7775%0.745SS**  trans-114.370.9175.1-123.3142.1000107.4N350N350-L352 HydrophobicContact CB-CB 4.46Å; N350-L352 PolarHBondContact O-N 3.49Å
353K29Very low33.8Very low205 Ų205134.6 Ų134.689%0.89176%0.755SS**  trans-166.883.6167.4-107.2165.7-170.9-173.90111
354S29.9Very low33.1Very low119 Ų119136.6 Ų136.683%0.83278%0.78SS**  trans166.694.9141.4460000110
355S27.7Very low32.2Very low118 Ų118138 Ų13883%0.82579%0.788SS**  trans-132.8119.8153.6-83.20000106.7
356P33.7Very low31.8Very low126 Ų126139.5 Ų139.582%0.81880%0.795SS**  trans-71.9130.4167.628.4-25.9000108.3
357S27Very low31.2Very low102 Ų102142.5 Ų142.571%0.71380%0.801SS**  trans-38.3134169.446.90000114.8
358L32.1Very low30.8Very low182 Ų182142.5 Ų142.595%0.95382%0.815SS**  trans-146.5118.9142-110.5122.6000110.5
359Q27.9Very low30.3Very low162 Ų162142.8 Ų142.876%0.75782%0.82SS**  trans-76.3162.4178.2-70.8173-39.800112.2
360H29.7Very low29.9Very low175 Ų175145.3 Ų145.381%0.8182%0.824SS**  trans68.4135.8160-73.8-65.9000116.1
361S31.5Very low29.6Very low114 Ų114148 Ų14880%0.79783%0.832SS**  cis-157.5164.725.4-162.90000111.5
362K27.9Very low29.3Very low189 Ų189147 Ų14782%0.82283%0.825SS**  trans-72.7168.2-175.7-69.3172.5173.31740114.1
363S27.5Very low29.2Very low121 Ų121143.7 Ų143.785%0.84683%0.827SS**  trans75.3145.8152.2-79.70000116.7
364A30.8Very low29.1Very low88 Ų88140.1 Ų140.173%0.72782%0.822SS**  cis-162167.10.200000108
365D27.5Very low29.1Very low154 Ų154142.2 Ų142.282%0.82482%0.824SS**  trans-37.5146.6159.5-80.1-58.9000113.5
366I34Very low29Very low170 Ų170140.4 Ų140.487%0.87282%0.824SS**  trans-159.7127.9138.7-93.4141.7000109.9
367K27.1Very low28.9Very low197 Ų197138.8 Ų138.886%0.85782%0.821SS**  trans-59.5152.8168-78.2168173.4170.70110.9
368G27.2Very low28.8Very low81 Ų81141.9 Ų141.984%0.83583%0.83SS**  trans-67.7170.1-172.600000116.6
369S30.1Very low28.8Very low124 Ų124139.6 Ų139.687%0.86782%0.823SS**  trans-158.1150.1132-161.80000108.9
370M26.6Very low28.6Very low166 Ų166136.9 Ų136.982%0.81882%0.822SS**  trans-82.1130.7-178.4-176.7175.7-177.700108.1
371H30.6Very low28.4Very low188 Ų188134.8 Ų134.887%0.8783%0.825SS**  trans-158.6139.5148-107.4-74.3000111.7
372L26.8Very low28.3Very low158 Ų158133.1 Ų133.183%0.82782%0.819SS**  trans-67.7148.9-176.4-71.2122.9000113
373G27.8Very low28.3Very low78 Ų78129.3 Ų129.380%0.80482%0.816SS**  trans-172.6100.5164.300000108.9
374V27.5Very low28.4Very low131 Ų131129 Ų12979%0.79481%0.814SS**  trans-80127.2170.4169.60000106.7
375D30.5Very low28.2Very low163 Ų163130.6 Ų130.687%0.87282%0.818SS**  trans-162.8140.2145.1-89.6-33.2000110.2
376G26.1Very low28.1Very low79 Ų79128.8 Ų128.881%0.81482%0.817SS**  trans-74.8150.6-169.900000114.1
377A31.3Very low28Very low93 Ų93126.8 Ų126.877%0.76981%0.813SS**  trans-153.7121.4158.800000109.4
378D24.8Very low28.1Very low166 Ų166124.6 Ų124.689%0.88881%0.806SS**  trans-52.4137.2165.2-71.2-57.7000111.4
379V30.9Very low28.1Very low135 Ų135126 Ų12682%0.81880%0.803SS**  trans-136106.4161.3-177.90000109.7
380S24.6Very low28.1Very low104 Ų104129.2 Ų129.273%0.72780%0.801SS**  trans-63.2142.9162.2176.80000111
381C26.3Very low28.1Very low131 Ų131128.8 Ų128.889%0.88580%0.802SS**  trans-130.298.7158.7-102.80000109.3
382A27.9Very low28.1Very low80 Ų80130.2 Ų130.266%0.66181%0.806SS**  trans-89.8140.1158.500000110.1
383S28.1Very low28.2Very low108 Ų108130.1 Ų130.176%0.75580%0.803SS**  trans13.2127.5152.556.40000121.7
384S29.6Very low28.4Very low116 Ų116133.4 Ų133.481%0.81180%0.798SS**  trans-173.9142.1138.4-77.70000107.4
385C26.9Very low28.8Very low121 Ų121131.5 Ų131.582%0.81879%0.788SS**  cis-163.6158.3-6.1-100.40000107.2
386S26.2Very low28.7Very low115 Ų115131.5 Ų131.580%0.80479%0.788SS**  trans-70.3-171.7-175.4-43.10000115.5
387V31.9Very low29Very low129 Ų129131.3 Ų131.378%0.78279%0.786SS**  trans118.3122.8159.1-179.10000111.5
388E28.8Very low29Very low150 Ų150135.8 Ų135.870%0.70179%0.791SS**  cis-158.5143.13.7-143.5163.7122.200107.9
389S26Very low29.3Very low112 Ų112134.3 Ų134.378%0.78378%0.779SS**  trans-99.8137.5160.8-71.80000108.4
390K30.2Very low29.4Very low190 Ų190135 Ų13583%0.82677%0.771SS**  trans-126.3105168.2-118.8176.3-177.3161.60109.3
391D28.5Very low29.7Very low157 Ų157135.4 Ų135.484%0.8477%0.769SS**  trans-70.9145.2167.1-69-55.4000111.1
392K29.4Very low30Very low218 Ų218135 Ų13595%0.94876%0.758SS**  trans-143.1131.7152.9-138.7-177.7-175.4-166.80109.7
393M29.8Very low30.2Very low157 Ų157141.4 Ų141.477%0.77377%0.765SS**  trans-100.5138.3-158.8-168.6140.8171.700112.3
394E30.8Very low30.3Very low146 Ų146140.6 Ų140.668%0.68276%0.76SS**  trans62.3168.2141.6-86.8-155.6119.300123.2
395P36.6Very low30.5Very low91 Ų91143.5 Ų143.559%0.59176%0.76SS**  cis-144.2177.1-38.537.7-19.7000116.7
396N28.9Very low30.7Very low163 Ų163141.5 Ų141.587%0.87275%0.747SS**  trans75.9133.5145.4-73.5-11.3000123.7
397G32.2Very low31Very low75 Ų75140.8 Ų140.877%0.77374%0.742SS**  trans171.483.716700000113.8
398E31.2Very low30.9Very low188 Ų188141.8 Ų141.888%0.87974%0.743SS**  trans-15.4161.6148-80.8169.7148.200118.5
399E30.7Very low31Very low135 Ų135145.5 Ų145.563%0.63175%0.751SS**  cis-179.1171.8-4.4-162.2-161.7151.400107.4
400K32.8Very low31.1Very low150 Ų150145.4 Ų145.465%0.65275%0.75SS**  trans80.5106.5155.5-70.2-174.7171.996.50120.4
401T30.9Very low31.2Very low112 Ų112144.9 Ų144.969%0.68775%0.75SS**  71.5117.476.458.30000115.8
402D33.6Very low31.2Very low121 Ų121144 Ų14465%0.64775%0.751SS**  168.1140.7107.9-102.2-33.4000114.5
403R31.6Very low31.3Very low216 Ų216137 Ų13782%0.81574%0.741SS**  trans50.6154.3135.8-68.3171.1-162.6-163.1-1.6121.1
404S29.7Very low31.3Very low91 Ų91135 Ų13564%0.63674%0.742SS**  cis173.9170.8-23.146.60000105.6
405H33.2Very low31.2Very low177 Ų177132.8 Ų132.882%0.81974%0.743SS**  trans88.7143.5174.3-74.3-61.2000117.8
406S31.2Very low31Very low79 Ų79135.4 Ų135.455%0.55276%0.757SS**  cis170.5146.7-33.643.80000106.5
407S32.9Very low30.9Very low100 Ų100138.2 Ų138.270%0.69976%0.756SS**  trans62.5150.1151.142.70000118.1
408D29.9Very low30.8Very low149 Ų149138.6 Ų138.680%0.79776%0.76SS**  cis-174.5174.7-5.9-111.4-37.6000107.3
409R30.7Very low30.7Very low229 Ų229133.7 Ų133.786%0.86475%0.747SS**  trans90.2111.5165.3-57.9-175177.6-161.5-2.2116
410S27.9Very low30.7Very low110 Ų110137.3 Ų137.377%0.76976%0.761SS**  cis67.8116.445.9-480000114.7
411E32.1Very low30.4Very low178 Ų178135.1 Ų135.183%0.83276%0.756SS**  trans148.8104.9144.1-85-175.4168.400110.7
412T29.3Very low30.5Very low139 Ų139135.7 Ų135.785%0.85377%0.765SS**  81.7132.480.353.80000115.8
413G30.9Very low30.3Very low71 Ų71141.6 Ų141.673%0.73278%0.778SS**  trans143.784164.300000113.2
414S29.6Very low30.2Very low115 Ų115137.6 Ų137.680%0.80478%0.779SS**  69.797.992.2175.90000113.2
415S28.6Very low30.3Very low99 Ų99138.9 Ų138.969%0.69279%0.789SS**  84.4118.286.6-170.90000114
416T33.2Very low30Very low146 Ų146139.4 Ų139.490%0.89679%0.792SS**  -171.8130.8123.722.50000111.7
417R27.2Very low30Very low222 Ų222142.2 Ų142.284%0.83881%0.806SS**  trans-87.1150.6179.1-86.4171.8166.4168.4-5.6110.9
418G30.4Very low29.9Very low84 Ų84143.5 Ų143.587%0.86681%0.814SS**  trans-150.9113156.900000109.2
419S27.6Very low29.6Very low85 Ų85142 Ų14259%0.59481%0.814SS**  trans-105.5137.9-176.1-176.30000109.2
420F31.1Very low29.7Very low211 Ų211135.8 Ų135.893%0.92581%0.812SS**  trans-153122.9151.2-122.1-85.8000111
421D26.8Very low29.7Very low104 Ų104140.5 Ų140.556%0.55682%0.819SS**  trans-71.4151.8177.2-91.5-47.3000112.6
422S33.2Very low29.5Very low124 Ų124143.5 Ų143.587%0.86782%0.822SS**  trans-173.3133.3138.9-77.30000112.2
423R28.9Very low29.7Very low245 Ų245146.9 Ų146.993%0.92583%0.825SS**PPolyproline II helixtrans-61.1154.2-170.8-68.2168.9172.9-177.6-3.2116.2
424P30.2Very low29.6Very low131 Ų131146.7 Ų146.785%0.85182%0.823SS**PPolyproline II helixtrans-99.9142169.136.4-27.7000113.3
425S31.4Very low29.9Very low119 Ų119147.2 Ų147.283%0.83282%0.822SS**PPolyproline II helixtrans-86.1140170.9480000112.2
426Q27.6Very low30.1Very low188 Ų188149.6 Ų149.688%0.87983%0.826SS**PPolyproline II helixtrans-67.1141.3178.8-60.3172.1-5.400112.4
427T31.7Very low30.2Very low138 Ų138146 Ų14685%0.84782%0.818SS**  trans-156.9117.514240.60000112.4
428S30.8Very low30.7Very low126 Ų126140.9 Ų140.988%0.88181%0.807SS**  trans70124133.4-163.90000121.5
429C23.1Very low30.8Very low118 Ų118143 Ų14380%0.79780%0.797SS**  trans-95130.6-173.1-174.80000111.1
430A32.4Very low31.3Very low99 Ų99144.5 Ų144.582%0.81880%0.798SS**  trans-118.8105.3166.500000110.5R432A430-R432 PolarHBondContact O-N 3.19Å
431K28Very low31.4Very low209 Ų209137.5 Ų137.591%0.90978%0.78SS**  trans-39.7124.2171-87.4167.6172.91660112.3
432R28.8Very low31.7Very low240 Ų240136.4 Ų136.491%0.90679%0.785SS**  trans-130.4114.4157.6-136175.7-1721745.7110.2A430 G434A430-R432 PolarHBondContact O-N 3.19Å; R432-G434 PolarHBondContact O-N 2.9Å
433K31.7Very low31.8Very low210 Ų210135.9 Ų135.991%0.91378%0.777SS**  trans-43.3117178.8-69.7179.3175.1179.30111
434G29.6Very low32.1Very low67 Ų67130.3 Ų130.369%0.69177%0.77SS**  trans-66.1131.7173.800000110.8R432R432-G434 PolarHBondContact O-N 2.9Å
435V35.7Very low32.3Very low127 Ų127130.6 Ų130.677%0.7777%0.769SS**  trans-79.7115.8161.6179.10000105.6G437V435-G437 PolarHBondContact O-N 3.35Å
436N32.6Very low32.3Very low149 Ų149130 Ų13080%0.79777%0.765SS**  trans-57.995.5173.7-66.9-23.3000109.8L438N436-L438 PolarHBondContact O-N 3.39Å
437G35.1Very low32.5Very low70 Ų70125.2 Ų125.272%0.72276%0.757SS**  trans-85.193.8161.500000107.3V435 L439V435-G437 PolarHBondContact O-N 3.35Å; G437-L439 PolarHBondContact O-N 2.93Å
438L37.9Very low32.8Very low114 Ų114124.5 Ų124.560%0.59776%0.755SS**  trans-66.998.1172.6-16673.3000107.4N436 L440 W474N436-L438 PolarHBondContact O-N 3.39Å; L438-L440 PolarHBondContact O-N 3.32Å; L438-W474 HydrophobicContact CD2-CH2 4.15Å; L438-W474 HydrophobicContact CD2-CZ3 4.25Å
439L31.8Very low32.9Very low128 Ų128123.3 Ų123.367%0.6775%0.753SS**  trans-71.7100.9165.9-144.9109.5000105.6P312 G437 A441P312-L439 HydrophobicContact CG-CD1 4.24Å; P312-L439 HydrophobicContact CG-CD2 4.29Å; P312-L439 HydrophobicContact CG-CG 4.49Å; G437-L439 PolarHBondContact O-N 2.93Å; L439-A441 VanDerWaalsContact C-N 3.28Å; L439-A441 PolarHBondContact O-N 2.89Å
440L38.7Very low33.3Very low117 Ų117126.2 Ų126.261%0.61376%0.76SS**  trans-72.693.3166-93.5159.1000106.6L438 A442 W474L438-L440 PolarHBondContact O-N 3.32Å; L440-A442 PolarHBondContact O-N 3.41Å; L440-W474 HydrophobicContact CD2-CH2 3.95Å; L440-W474 HydrophobicContact CD2-CZ3 3.86Å
441A33.4Very low33.5Very low65 Ų65130.7 Ų130.754%0.53776%0.763SS.*  trans-57124.1160.400000107.3L439 T443L439-A441 VanDerWaalsContact C-N 3.28Å; L439-A441 PolarHBondContact O-N 2.89Å; A441-T443 VanDerWaalsContact C-N 3.3Å; A441-T443 PolarHBondContact O-N 3.4Å
442A32.2Very low33.6Very low80 Ų80124 Ų12466%0.66175%0.754SS**  trans-57.797.1168.500000107.8L314 L440 T444L314-A442 HydrophobicContact CD1-CB 4.46Å; L440-A442 PolarHBondContact O-N 3.41Å; A442-T444 PolarHBondContact O-N 3.01Å
443T37Very low33.9Very low114 Ų114122.9 Ų122.970%0.69976%0.755SS**  trans-87.795.9170.829.10000106A441 V445A441-T443 VanDerWaalsContact C-N 3.3Å; A441-T443 PolarHBondContact O-N 3.4Å; T443-V445 PolarHBondContact O-N 2.83Å; T443-V445 VanDerWaalsContact O-N 3.07Å
444T33.7Very low34Very low127 Ų127117.9 Ų117.978%0.77975%0.747SS**  trans-56.3107.6158.3430000107.1A442 S446A442-T444 PolarHBondContact O-N 3.01Å; T444-S446 PolarHBondContact O-N 3.41Å
445V34.2Very low34.2Very low137 Ų137120.1 Ų120.183%0.8375%0.747SS**  trans-73.494.9172.5178.70000106.8T443 A447T443-V445 PolarHBondContact O-N 2.83Å; T443-V445 VanDerWaalsContact O-N 3.07Å; V445-A447 PolarHBondContact O-N 3.24Å
446S32.1Very low34.3Very low107 Ų107123.5 Ų123.575%0.74875%0.751SS**PPolyproline II helixtrans-70.4120.1162.6-71.10000108.4T444T444-S446 PolarHBondContact O-N 3.41Å
447A32.8Very low34.3Very low87 Ų87121.9 Ų121.972%0.71975%0.752SS**PPolyproline II helixtrans-61.2137.217200000110.4V445V445-A447 PolarHBondContact O-N 3.24Å
448P37.7Very low34.4Very low124 Ų124123.8 Ų123.881%0.80575%0.751SS**PPolyproline II helixtrans-73.8129.7175.2-0.716.3000110.1L450P448-L450 PolarHBondContact O-N 3.18Å
449A32Very low34.2Very low100 Ų100125 Ų12583%0.82676%0.764SS**PPolyproline II helixtrans-65.4124.2173.400000111.2H451A449-H451 PolarHBondContact O-N 3.44Å
450L31.9Very low34.4Very low180 Ų180129 Ų12994%0.94278%0.776SS**  trans-75.3104.8172.5-93.1145.7000110P448P448-L450 PolarHBondContact O-N 3.18Å
451H37.4Very low34.2Very low192 Ų192130.7 Ų130.789%0.88978%0.784SS**  trans-96.4113.7162-115.4-45.5000109.4A449A449-H451 PolarHBondContact O-N 3.44Å
452G29.9Very low34.1Very low69 Ų69134.9 Ų134.971%0.71179%0.794SS**  trans-71.9137.3175.400000112.5
453K35.8Very low34.1Very low217 Ų217139.3 Ų139.394%0.94381%0.807SS**  trans-148.7140.3149.7-100.7175.2-172.1-177.60109.3
454S32.3Very low34.1Very low105 Ų105142.2 Ų142.273%0.73481%0.81SS**  trans-89.6161.6-161.9-171.50000113.6
455T33.8Very low34.2Very low113 Ų113141.4 Ų141.469%0.69381%0.809SS**  trans83.3106.9157.177.10000118.7
456K37.6Very low34.4Very low198 Ų198139.8 Ų139.886%0.86181%0.81SS**  161.9125.195.1-80.2-169.1-177.5175.80112.3
457S34.3Very low35.4Very low115 Ų115138.9 Ų138.980%0.80480%0.801SS**  trans64.3132.7152-1540000122.4
458P36.5Very low36.6Very low110 Ų110137.7 Ų137.771%0.71479%0.787SS**  trans-108.4130.2-175.637.4-24.2000113.5
459T34.2Very low37.9Very low141 Ų141137.1 Ų137.187%0.86578%0.783SS**  trans-173.797.8153.122.80000111
460K35.1Very low39.3Very low212 Ų212139.9 Ų139.992%0.92278%0.776SS**  trans-167.4118.1137.7-111.6175.6-177.3-178.10110.1
461I34.1Very low40.9Very low151 Ų151135.2 Ų135.277%0.77475%0.752SS**  trans-77.6136.6178.8-73.2168.6000108.5
462M31.3Very low42.3Very low154 Ų154128.5 Ų128.576%0.75973%0.73SS**  trans49.9110.1156.3-66.5162.863.600118.5
463D32.1Very low44.2Very low173 Ų173133.3 Ų133.393%0.92573%0.726SS**  trans-140.8138.2131.7-116.9-24.8000111.8
464K38.3Very low45.8Very low175 Ų175128.1 Ų128.176%0.76170%0.701SS**  trans-72.9141.2-166-69.3169176.6171.30112.1A466K464-A466 PolarHBondContact O-N 3.31Å; K464-A466 VanDerWaalsContact O-N 3.16Å
465S34.8Very low47.6Very low109 Ų109124.9 Ų124.976%0.76268%0.677SS**  trans-8.594.9163.562.40000117.4T467S465-T467 PolarHBondContact O-N 3.39Å
466A39.5Very low49.3Very low104 Ų104122.9 Ų122.986%0.8667%0.668SS**  trans-84.980.5160.900000109.6K464 S468K464-A466 PolarHBondContact O-N 3.31Å; K464-A466 VanDerWaalsContact O-N 3.16Å; A466-S468 PolarHBondContact O-N 2.88Å; A466-S468 VanDerWaalsContact O-N 3.14Å
467T51.3Low50.9Low88 Ų88116.8 Ų116.854%0.5464%0.644SS.*  trans-65.4111.8171.5-30.30000108.2S465 L471S465-T467 PolarHBondContact O-N 3.39Å; T467-L471 HydrophobicContact CG2-CB 4.4Å; T467-L471 HydrophobicContact CG2-CD2 3.8Å; T467-L471 HydrophobicContact CG2-CG 4.47Å
468S58.3Low52.8Low61 Ų61112.7 Ų112.743%0.42761%0.613SS.*  trans-50.6134.7-178.1-178.40000111.1A466 K470 L471 A472A466-S468 PolarHBondContact O-N 2.88Å; A466-S468 VanDerWaalsContact O-N 3.14Å; S468-K470 CarbonylContact O-C 3.54Å; S468-K470 PolarHBondContact O-N 3.26Å; S468-L471 WeakPolarHBondContact O-CA 3.07Å; S468-L471 WeakPolarHBondContact O-CB 3.31Å; S468-L471 PolarHBondContact O-N 3.37Å; S468-A472 PolarHBondContact O-N 2.91Å
469P64.7Low54.5Low112 Ų112113.1 Ų113.173%0.72760%0.603SS**Hα-helixtrans-57.4-21.7179.320.6-32.2000112.8R473P469-R473 WeakPolarHBondContact O-CB 3.36Å; P469-R473 PolarHBondContact O-N 3.46Å
470K61.8Low56.3Low158 Ų158108.3 Ų108.369%0.68758%0.576SS**Hα-helixtrans-65.3-48.2170-66.9-179.7-179.5173.90111.1S468 A472 R473 W474S468-K470 CarbonylContact O-C 3.54Å; S468-K470 PolarHBondContact O-N 3.26Å; K470-A472 PolarHBondContact O-N 3.49Å; K470-R473 WeakPolarHBondContact O-CB 3.38Å; K470-R473 PolarHBondContact O-N 3.17Å; K470-W474 PolarHBondContact O-N 3.45Å
471L65.7Low58.1Low82 Ų82103.4 Ų103.443%0.42956%0.559SS.*Hα-helixtrans-63.4-42.5-177.7-165.968.1000111.5T467 S468 R473 W474 T475T467-L471 HydrophobicContact CG2-CB 4.4Å; T467-L471 HydrophobicContact CG2-CD2 3.8Å; T467-L471 HydrophobicContact CG2-CG 4.47Å; S468-L471 WeakPolarHBondContact O-CA 3.07Å; S468-L471 WeakPolarHBondContact O-CB 3.31Å; S468-L471 PolarHBondContact O-N 3.37Å; L471-R473 VanDerWaalsContact C-N 3.3Å; L471-R473 PolarHBondContact O-N 3.2Å; L471-W474 PolarHBondContact O-N 3.01Å; L471-W474 VanDerWaalsContact O-N 3.12Å; L471-T475 WeakPolarHBondContact O-CG2 3.32Å; L471-T475 PolarHBondContact O-N 2.88Å; L471-T475 PolarHBondContact O-OG1 3.4Å
472A66.3Low59.8Low52 Ų5299.5 Ų99.543%0.4354%0.544SS..Hα-helixtrans-61.4-35.8174.500000113.2S468 K470 T475 S476S468-A472 PolarHBondContact O-N 2.91Å; K470-A472 PolarHBondContact O-N 3.49Å; A472-T475 WeakPolarHBondContact CA-OG1 3.34Å; A472-T475 PolarHBondContact O-OG1 3Å; A472-T475 VanDerWaalsContact O-OG1 3.04Å; A472-S476 WeakPolarHBondContact O-CB 3.45Å; A472-S476 PolarHBondContact O-N 3.48Å; A472-S476 VanDerWaalsContact O-N 3.1Å; A472-S476 PolarHBondContact O-OG 2.99Å
473R71.3Confident61.6Low169 Ų16994.2 Ų94.264%0.63853%0.525SS*.Hα-helixtrans-70.9-36.3173.3-171.1176.5-178.1178.62.7112.5P469 K470 L471 S476 I477P469-R473 WeakPolarHBondContact O-CB 3.36Å; P469-R473 PolarHBondContact O-N 3.46Å; K470-R473 WeakPolarHBondContact O-CB 3.38Å; K470-R473 PolarHBondContact O-N 3.17Å; L471-R473 VanDerWaalsContact C-N 3.3Å; L471-R473 PolarHBondContact O-N 3.2Å; R473-S476 WeakPolarHBondContact CA-OG 3.02Å; R473-S476 PolarHBondContact O-OG 3.11Å; R473-I477 HydrophobicContact CG-CD1 4.18Å; R473-I477 WeakPolarHBondContact O-CD1 3.44Å; R473-I477 VanDerWaalsContact O-CG1 3.25Å; R473-I477 WeakPolarHBondContact O-CG1 3.35Å; R473-I477 PolarHBondContact O-N 2.81Å
474W69.5Low63.6Low109 Ų10989.2 Ų89.241%0.41350%0.503SS..Hα-helixtrans-68-44.9176.4-83.1104.2000111.6L438 L440 K470 L471 I477 L478L438-W474 HydrophobicContact CD2-CH2 4.15Å; L438-W474 HydrophobicContact CD2-CZ3 4.25Å; L440-W474 HydrophobicContact CD2-CH2 3.95Å; L440-W474 HydrophobicContact CD2-CZ3 3.86Å; K470-W474 PolarHBondContact O-N 3.45Å; L471-W474 PolarHBondContact O-N 3.01Å; L471-W474 VanDerWaalsContact O-N 3.12Å; W474-I477 PolarHBondContact O-N 3.13Å; W474-L478 WeakPolarHBondContact O-CB 3.12Å; W474-L478 VanDerWaalsContact O-CG 3.3Å; W474-L478 WeakPolarHBondContact O-CG 3.29Å; W474-L478 PolarHBondContact O-N 3Å
475T68.6Low65.1Low37 Ų3781.9 Ų81.923%0.22747%0.472CS..Hα-helixtrans-64.5-44.3177.5540000111.3L471 A472 I477 L478 F479L471-T475 WeakPolarHBondContact O-CG2 3.32Å; L471-T475 PolarHBondContact O-N 2.88Å; L471-T475 PolarHBondContact O-OG1 3.4Å; A472-T475 WeakPolarHBondContact CA-OG1 3.34Å; A472-T475 PolarHBondContact O-OG1 3Å; A472-T475 VanDerWaalsContact O-OG1 3.04Å; T475-I477 VanDerWaalsContact C-N 3.32Å; T475-I477 PolarHBondContact O-N 3.42Å; T475-L478 PolarHBondContact O-N 3.07Å; T475-L478 VanDerWaalsContact O-N 3.15Å; T475-F479 WeakPolarHBondContact O-CD2 3.39Å; T475-F479 PolarHBondContact O-N 3.02Å
476S70.9Confident66.9Low71 Ų7182.4 Ų82.450%0.49747%0.466SS..Hα-helixtrans-60.9-35.8175.8550000113.9A472 R473 S480A472-S476 WeakPolarHBondContact O-CB 3.45Å; A472-S476 PolarHBondContact O-N 3.48Å; A472-S476 VanDerWaalsContact O-N 3.1Å; A472-S476 PolarHBondContact O-OG 2.99Å; R473-S476 WeakPolarHBondContact CA-OG 3.02Å; R473-S476 PolarHBondContact O-OG 3.11Å; S476-S480 PolarHBondContact O-N 2.83Å; S476-S480 VanDerWaalsContact O-N 3.14Å
477I70.5Confident68.3Low69 Ų6984.8 Ų84.835%0.35446%0.461SS..Hα-helixtrans-70.6-40.4174.7-67.9167.3000111R473 W474 T475 S480R473-I477 HydrophobicContact CG-CD1 4.18Å; R473-I477 WeakPolarHBondContact O-CD1 3.44Å; R473-I477 VanDerWaalsContact O-CG1 3.25Å; R473-I477 WeakPolarHBondContact O-CG1 3.35Å; R473-I477 PolarHBondContact O-N 2.81Å; W474-I477 PolarHBondContact O-N 3.13Å; T475-I477 VanDerWaalsContact C-N 3.32Å; T475-I477 PolarHBondContact O-N 3.42Å; I477-S480 PolarHBondContact O-OG 3.38Å
478L73.6Confident69.2Low30 Ų3087.2 Ų87.216%0.15746%0.46CS..Hα-helixtrans-67-41.2179.3-76.1167.2000112.2A233 Q234 V237 W474 T475 S480A233-L478 HydrophobicContact CB-CD2 3.64Å; Q234-L478 PolarHBondContact NE2-O 3.09Å; V237-L478 HydrophobicContact CG2-CD1 4.23Å; W474-L478 WeakPolarHBondContact O-CB 3.12Å; W474-L478 VanDerWaalsContact O-CG 3.3Å; W474-L478 WeakPolarHBondContact O-CG 3.29Å; W474-L478 PolarHBondContact O-N 3Å; T475-L478 PolarHBondContact O-N 3.07Å; T475-L478 VanDerWaalsContact O-N 3.15Å; L478-S480 VanDerWaalsContact C-N 3.35Å
479F72.4Confident69.7Low118 Ų11893.4 Ų93.452%0.51848%0.48SS..THydrogen-bonded Turntrans-92.311.1179.7-64.8-72.9000113.7Q234 V237 T475Q234-F479 HydrophobicContact CB-CE1 4.03Å; Q234-F479 HydrophobicContact CB-CZ 4.42Å; Q234-F479 HydrophobicContact CG-CD1 4.04Å; Q234-F479 HydrophobicContact CG-CE1 3.79Å; Q234-F479 HydrophobicContact CG-CZ 4.32Å; V237-F479 HydrophobicContact CG1-CE2 4.49Å; T475-F479 WeakPolarHBondContact O-CD2 3.39Å; T475-F479 PolarHBondContact O-N 3.02Å
480S73Confident70.1Confident41 Ų4191.7 Ų91.729%0.28746%0.459SS..SBendtrans-65.8144.1171.862.90000111.6R230 S476 I477 L478 P482R230-S480 PolarHBondContact NH1-OG 2.81Å; S476-S480 PolarHBondContact O-N 2.83Å; S476-S480 VanDerWaalsContact O-N 3.14Å; I477-S480 PolarHBondContact O-OG 3.38Å; L478-S480 VanDerWaalsContact C-N 3.35Å; S480-P482 WeakPolarHBondContact O-CD 3.3Å; S480-P482 VanDerWaalsContact O-N 3.12Å
481N71.8Confident70.8Confident108 Ų10891.2 Ų91.258%0.57846%0.457SS*.  trans-51.8116.6-174.5-175-17000111.8A483 S484N481-A483 PolarHBondContact O-N 3.43Å; N481-A483 WeakPolarHBondContact OD1-CB 3.42Å; N481-A483 PolarHBondContact OD1-N 3.48Å; N481-S484 WeakPolarHBondContact O-CB 3.36Å; N481-S484 PolarHBondContact O-N 3.2Å; N481-S484 VanDerWaalsContact O-N 3.13Å; N481-S484 PolarHBondContact O-OG 2.75Å
482P70Confident71.3Confident70 Ų7089.9 Ų89.946%0.45545%0.452SS..THydrogen-bonded Turntrans-64.1-24.7-177.325.6-34.2000112.9L227 S480 S484 L485 L486L227-P482 HydrophobicContact CD2-CB 3.78Å; S480-P482 WeakPolarHBondContact O-CD 3.3Å; S480-P482 VanDerWaalsContact O-N 3.12Å; P482-S484 PolarHBondContact O-N 2.98Å; P482-S484 VanDerWaalsContact O-N 3.16Å; P482-L485 PolarHBondContact O-N 3.16Å; P482-L486 PolarHBondContact O-N 3.2Å
483A70Confident71.9Confident42 Ų4290.5 Ų90.535%0.34745%0.45SS..Hα-helixtrans-57.2-31.4175.800000111.9N481 L485 L486 M487N481-A483 PolarHBondContact O-N 3.43Å; N481-A483 WeakPolarHBondContact OD1-CB 3.42Å; N481-A483 PolarHBondContact OD1-N 3.48Å; A483-L485 PolarHBondContact O-N 2.99Å; A483-L486 PolarHBondContact O-N 2.93Å; A483-M487 WeakPolarHBondContact O-CB 3.14Å; A483-M487 WeakPolarHBondContact O-CG 3.49Å; A483-M487 PolarHBondContact O-N 3.23Å
484S73.5Confident72.1Confident68 Ų6891.4 Ų91.448%0.47646%0.459SS..Hα-helixtrans-62.3-27.9177.469.20000113.6N481 P482 R488N481-S484 WeakPolarHBondContact O-CB 3.36Å; N481-S484 PolarHBondContact O-N 3.2Å; N481-S484 VanDerWaalsContact O-N 3.13Å; N481-S484 PolarHBondContact O-OG 2.75Å; P482-S484 PolarHBondContact O-N 2.98Å; P482-S484 VanDerWaalsContact O-N 3.16Å; S484-R488 WeakPolarHBondContact O-CB 3.07Å; S484-R488 PolarHBondContact O-N 3.46Å
485L70.1Confident72.3Confident21 Ų2189.6 Ų89.611%0.1147%0.467CS..Hα-helixtrans-80.8-37.2176.2-74.5-177.4000112.5L227 R230 P482 A483 R488L227-L485 HydrophobicContact CD2-CB 4.12Å; L227-L485 HydrophobicContact CD2-CD1 3.83Å; L227-L485 HydrophobicContact CG-CD1 4.4Å; R230-L485 VanDerWaalsContact NH1-CD1 3.31Å; P482-L485 PolarHBondContact O-N 3.16Å; A483-L485 PolarHBondContact O-N 2.99Å; L485-R488 VanDerWaalsContact O-CB 3.31Å; L485-R488 WeakPolarHBondContact O-CB 3.2Å; L485-R488 PolarHBondContact O-N 2.94Å
486L71.6Confident72.6Confident120 Ų12088.8 Ų88.863%0.62846%0.461SS*.Hα-helixtrans-67.2-40.6174.4-71.4172.3000111.2V223 L227 P482 A483 R488V223-L486 HydrophobicContact CG1-CD2 4.14Å; L227-L486 HydrophobicContact CD1-CD1 4.31Å; L227-L486 HydrophobicContact CD1-CD2 3.5Å; L227-L486 HydrophobicContact CD1-CG 3.73Å; P482-L486 PolarHBondContact O-N 3.2Å; A483-L486 PolarHBondContact O-N 2.93Å; L486-R488 PolarHBondContact O-N 3.46Å
487M68.8Low72.8Confident155 Ų15590.1 Ų90.176%0.76446%0.457SS*.SBendtrans-74.5-8.6177.3-64.1-65.2-99.100113.1A483 K489A483-M487 WeakPolarHBondContact O-CB 3.14Å; A483-M487 WeakPolarHBondContact O-CG 3.49Å; A483-M487 PolarHBondContact O-N 3.23Å; M487-K489 PolarHBondContact O-N 2.65Å
488R70.5Confident72.9Confident139 Ų13995.4 Ų95.453%0.52547%0.473SS..  trans-72.398.2-178.8-172.6171.9170.7174.7-5.2109.9S484 L485 L486 R490S484-R488 WeakPolarHBondContact O-CB 3.07Å; S484-R488 PolarHBondContact O-N 3.46Å; L485-R488 VanDerWaalsContact O-CB 3.31Å; L485-R488 WeakPolarHBondContact O-CB 3.2Å; L485-R488 PolarHBondContact O-N 2.94Å; L486-R488 PolarHBondContact O-N 3.46Å; R488-R490 PolarHBondContact O-N 3.43Å
489K68.6Low72.9Confident190 Ų19096.8 Ų96.883%0.82649%0.488SS*.  trans-48.4133.5173.6-71.6-171.6179.4-177.70111.3M487 K491M487-K489 PolarHBondContact O-N 2.65Å; K489-K491 PolarHBondContact O-N 3.02Å; K489-K491 VanDerWaalsContact O-N 3.14Å
490R74.5Confident73.1Confident76 Ų7695 Ų9529%0.28748%0.478SS..  trans-52.7119.1176.5-172.1173.4-179.4-128.5-22.6111N215 H219 R488 V492 E496N215-R490 VanDerWaalsContact C-CZ 3.47Å; N215-R490 PolarHBondContact O-NE 2.86Å; N215-R490 PolarHBondContact O-NH1 3.2Å; H219-R490 VanDerWaalsContact CB-CD 3.5Å; H219-R490 HydrophobicContact CB-CG 4.03Å; H219-R490 WeakPolarHBondContact CD2-CB 3.24Å; H219-R490 WeakPolarHBondContact NE2-CA 3.49Å; R488-R490 PolarHBondContact O-N 3.43Å; R490-V492 PolarHBondContact O-N 2.63Å; R490-V492 VanDerWaalsContact O-N 3.16Å; R490-E496 IonicContact CZ-OE1 3.94Å; R490-E496 IonicContact NH1-OE1 2.76Å; R490-E496 PolarHBondContact NH1-OE1 3.45Å; R490-E496 VanDerWaalsContact NH2-CD 3.34Å; R490-E496 IonicContact NH2-OE1 3.67Å; R490-E496 PolarHBondContact NH2-OE1 3.27Å; R490-E496 IonicContact NH2-OE2 3.23Å; R490-E496 PolarHBondContact NH2-OE2 3Å
491K75.1Confident73.3Confident149 Ų14996.6 Ų96.665%0.64848%0.478SS*.  trans-74.1109.6171.4-70.4-173179.3-177.90108.7K489 T493K489-K491 PolarHBondContact O-N 3.02Å; K489-K491 VanDerWaalsContact O-N 3.14Å; K491-T493 PolarHBondContact O-N 2.98Å
492V76.6Confident73.3Confident54 Ų5493 Ų9333%0.32746%0.463SS..  trans-55.1125.6171.7179.70000109.7R490 E496 K497 R500R490-V492 PolarHBondContact O-N 2.63Å; R490-V492 VanDerWaalsContact O-N 3.16Å; V492-E496 HydrophobicContact CG1-CB 3.69Å; V492-K497 HydrophobicContact CB-CG 4.36Å; V492-K497 HydrophobicContact CG1-CD 4.4Å; V492-K497 HydrophobicContact CG1-CG 3.54Å; V492-R500 VanDerWaalsContact CG2-NH2 3.29Å
493T80.1Confident73.8Confident64 Ų6491.9 Ų91.939%0.39345%0.452SS..  trans-66.7156.2179.866.90000111.5K491 A495 E496 K497K491-T493 PolarHBondContact O-N 2.98Å; T493-A495 PolarHBondContact O-N 2.92Å; T493-E496 PolarHBondContact N-OE2 3.46Å; T493-E496 PolarHBondContact O-N 3.22Å; T493-E496 WeakPolarHBondContact OG1-CB 3Å; T493-E496 WeakPolarHBondContact OG1-CG 3.49Å; T493-E496 PolarHBondContact OG1-N 3.24Å; T493-E496 VanDerWaalsContact OG1-N 3.09Å; T493-E496 PolarHBondContact OG1-OE2 2.93Å; T493-K497 PolarHBondContact O-N 2.94Å; T493-K497 VanDerWaalsContact O-N 3.09Å
494K75Confident74.3Confident189 Ų18998 Ų9882%0.82247%0.465SS*.Hα-helixtrans-59.4-33.8174-70.9-179.6-178.71730111.8R498K494-R498 PolarHBondContact O-N 3.3Å; K494-R498 VanDerWaalsContact O-N 3.09Å
495A73.1Confident74.6Confident71 Ų7195.3 Ų95.359%0.58745%0.447SS*.Hα-helixtrans-65.7-47.9177.400000111.7T493 K497 R498 A499T493-A495 PolarHBondContact O-N 2.92Å; A495-K497 VanDerWaalsContact C-N 3.33Å; A495-K497 PolarHBondContact O-N 3.48Å; A495-R498 WeakPolarHBondContact O-CA 3.18Å; A495-R498 WeakPolarHBondContact O-CB 3.45Å; A495-R498 PolarHBondContact O-N 2.94Å; A495-A499 PolarHBondContact O-N 3.14Å
496E75.7Confident75Confident19 Ų1994.7 Ų94.79%0.08944%0.443CS..Hα-helixtrans-61.6-40.4176-73.9168.1141.400112.2N215 R490 V492 T493 R498 A499 R500N215-E496 PolarHBondContact ND2-OE1 2.96Å; R490-E496 IonicContact CZ-OE1 3.94Å; R490-E496 IonicContact NH1-OE1 2.76Å; R490-E496 PolarHBondContact NH1-OE1 3.45Å; R490-E496 VanDerWaalsContact NH2-CD 3.34Å; R490-E496 IonicContact NH2-OE1 3.67Å; R490-E496 PolarHBondContact NH2-OE1 3.27Å; R490-E496 IonicContact NH2-OE2 3.23Å; R490-E496 PolarHBondContact NH2-OE2 3Å; V492-E496 HydrophobicContact CG1-CB 3.69Å; T493-E496 PolarHBondContact N-OE2 3.46Å; T493-E496 PolarHBondContact O-N 3.22Å; T493-E496 WeakPolarHBondContact OG1-CB 3Å; T493-E496 WeakPolarHBondContact OG1-CG 3.49Å; T493-E496 PolarHBondContact OG1-N 3.24Å; T493-E496 VanDerWaalsContact OG1-N 3.09Å; T493-E496 PolarHBondContact OG1-OE2 2.93Å; E496-R498 PolarHBondContact O-N 3.15Å; E496-A499 PolarHBondContact O-N 2.9Å; E496-R500 PolarHBondContact O-N 2.85Å
497K74.8Confident75.8Confident99 Ų9991.4 Ų91.443%0.4343%0.428SS..Hα-helixtrans-62.2-31.8173.5-67.9-174.5-175.1-175.80112.3V492 T493 A495 R501V492-K497 HydrophobicContact CB-CG 4.36Å; V492-K497 HydrophobicContact CG1-CD 4.4Å; V492-K497 HydrophobicContact CG1-CG 3.54Å; T493-K497 PolarHBondContact O-N 2.94Å; T493-K497 VanDerWaalsContact O-N 3.09Å; A495-K497 VanDerWaalsContact C-N 3.33Å; A495-K497 PolarHBondContact O-N 3.48Å; K497-R501 VanDerWaalsContact O-CD 3.31Å; K497-R501 WeakPolarHBondContact O-CD 3.24Å; K497-R501 WeakPolarHBondContact O-CG 3.37Å; K497-R501 PolarHBondContact O-N 3.42Å; K497-R501 PolarHBondContact O-NE 3.33Å
498R72.3Confident76.6Confident181 Ų18186.9 Ų86.968%0.68341%0.409SS*.Hα-helixtrans-72.7-46.1175.5-174-176.4-71.5175.6-4.1110.2K494 A495 E496 R501 A502K494-R498 PolarHBondContact O-N 3.3Å; K494-R498 VanDerWaalsContact O-N 3.09Å; A495-R498 WeakPolarHBondContact O-CA 3.18Å; A495-R498 WeakPolarHBondContact O-CB 3.45Å; A495-R498 PolarHBondContact O-N 2.94Å; E496-R498 PolarHBondContact O-N 3.15Å; R498-R501 PolarHBondContact O-N 3.49Å; R498-A502 PolarHBondContact O-N 3.45Å
499A73.9Confident77.3Confident58 Ų5880.5 Ų80.548%0.47939%0.385SS..Hα-helixtrans-58.8-49177.900000112.2A495 E496 R501 A502 F503A495-A499 PolarHBondContact O-N 3.14Å; E496-A499 PolarHBondContact O-N 2.9Å; A499-R501 VanDerWaalsContact C-N 3.25Å; A499-R501 PolarHBondContact O-N 2.93Å; A499-A502 WeakPolarHBondContact O-CB 3.45Å; A499-A502 PolarHBondContact O-N 3.39Å; A499-A502 VanDerWaalsContact O-N 3.16Å; A499-F503 PolarHBondContact O-N 3.27Å
500R76.3Confident78.2Confident82 Ų8272.2 Ų72.231%0.30935%0.351SS..Hα-helixtrans-61-31.3177.2-78.1-162.4-76.2-9315114.2E212 V492 E496 R504E212-R500 VanDerWaalsContact OE1-CD 3.31Å; E212-R500 WeakPolarHBondContact OE1-CD 3.31Å; E212-R500 IonicContact OE1-CZ 3.44Å; E212-R500 IonicContact OE1-NE 3.61Å; E212-R500 IonicContact OE1-NH1 3.77Å; E212-R500 PolarHBondContact OE1-NH1 3.05Å; V492-R500 VanDerWaalsContact CG2-NH2 3.29Å; E496-R500 PolarHBondContact O-N 2.85Å; R500-R504 WeakPolarHBondContact O-CG 3.26Å; R500-R504 PolarHBondContact O-N 2.88Å; R500-R504 VanDerWaalsContact O-N 3.09Å
501R76.6Confident78.9Confident73 Ų7370.6 Ų70.628%0.27536%0.357SS..Hα-helixtrans-74.9-40.4176.2-71.5170.5-164.7157.58.8111.9K497 R498 A499 F503 R504 T505 R562K497-R501 VanDerWaalsContact O-CD 3.31Å; K497-R501 WeakPolarHBondContact O-CD 3.24Å; K497-R501 WeakPolarHBondContact O-CG 3.37Å; K497-R501 PolarHBondContact O-N 3.42Å; K497-R501 PolarHBondContact O-NE 3.33Å; R498-R501 PolarHBondContact O-N 3.49Å; A499-R501 VanDerWaalsContact C-N 3.25Å; A499-R501 PolarHBondContact O-N 2.93Å; R501-F503 VanDerWaalsContact C-N 3.29Å; R501-F503 PolarHBondContact O-N 2.49Å; R501-R504 PolarHBondContact O-N 3.15Å; R501-T505 PolarHBondContact O-N 3.32Å; R501-T505 PolarHBondContact O-OG1 2.89Å; R501-R562 VanDerWaalsContact NH1-CD 3.26Å; R501-R562 VanDerWaalsContact NH1-CZ 3.28Å; R501-R562 VanDerWaalsContact NH1-NE 3.16Å; R501-R562 VanDerWaalsContact NH2-NH1 3.12Å
502A73.3Confident79.7Confident33 Ų3363.8 Ų63.827%0.27333%0.329SS..Hα-helixtrans-58.5-45.8172.500000110.1R498 A499 R504 T505 I506R498-A502 PolarHBondContact O-N 3.45Å; A499-A502 WeakPolarHBondContact O-CB 3.45Å; A499-A502 PolarHBondContact O-N 3.39Å; A499-A502 VanDerWaalsContact O-N 3.16Å; A502-R504 PolarHBondContact O-N 3.44Å; A502-T505 WeakPolarHBondContact O-CB 3.25Å; A502-T505 PolarHBondContact O-N 3.28Å; A502-T505 VanDerWaalsContact O-N 3.13Å; A502-I506 VanDerWaalsContact O-CD1 3.31Å; A502-I506 WeakPolarHBondContact O-CD1 3.45Å; A502-I506 WeakPolarHBondContact O-CG1 3.16Å; A502-I506 PolarHBondContact O-N 2.91Å; A502-I506 VanDerWaalsContact O-N 3.11Å
503F80.2Confident80.2Confident47 Ų4761.3 Ų61.321%0.20631%0.314CS..Hα-helixtrans-54.6-53.2173.9-175.8-100.6000112.3Y201 I204 H205 A499 R501 T505 I506 T507Y201-F503 AromaticContact CE2-CE2 3.87Å; Y201-F503 HydrophobicContact CE2-CE2 3.87Å; Y201-F503 HydrophobicContact CE2-CZ 4Å; Y201-F503 AromaticContact CZ-CZ 3.69Å; Y201-F503 WeakPolarHBondContact OH-CZ 3.31Å; I204-F503 HydrophobicContact CG2-CD2 3.65Å; I204-F503 HydrophobicContact CG2-CE2 3.74Å; H205-F503 HydrophobicContact CB-CE2 4.39Å; H205-F503 HydrophobicContact CB-CZ 4.28Å; H205-F503 AromaticContact ND1-CZ 3.69Å; A499-F503 PolarHBondContact O-N 3.27Å; R501-F503 VanDerWaalsContact C-N 3.29Å; R501-F503 PolarHBondContact O-N 2.49Å; F503-T505 PolarHBondContact O-N 2.7Å; F503-I506 PolarHBondContact O-N 3.15Å; F503-T507 PolarHBondContact O-N 3.09Å; F503-T507 PolarHBondContact O-OG1 3.26Å
504R78.9Confident80.8Confident169 Ų16959.5 Ų59.564%0.63831%0.306SS*.Hα-helixtrans-55.3-38.3176.8-73.4175.6-174.8-168-3.1113.3R500 R501 A502 T507 V508R500-R504 WeakPolarHBondContact O-CG 3.26Å; R500-R504 PolarHBondContact O-N 2.88Å; R500-R504 VanDerWaalsContact O-N 3.09Å; R501-R504 PolarHBondContact O-N 3.15Å; A502-R504 PolarHBondContact O-N 3.44Å; R504-T507 PolarHBondContact O-N 3.04Å; R504-V508 VanDerWaalsContact O-CG2 3.28Å; R504-V508 WeakPolarHBondContact O-CG2 3.33Å; R504-V508 PolarHBondContact O-N 3.16Å; R504-V508 VanDerWaalsContact O-N 3.1Å
505T79.8Confident81.7Confident13 Ų1356.1 Ų56.18%0.0830%0.296CS..Hα-helixtrans-63.3-45.3178.3-49.60000110.5R501 A502 F503 V508 I509 Y557 A560R501-T505 PolarHBondContact O-N 3.32Å; R501-T505 PolarHBondContact O-OG1 2.89Å; A502-T505 WeakPolarHBondContact O-CB 3.25Å; A502-T505 PolarHBondContact O-N 3.28Å; A502-T505 VanDerWaalsContact O-N 3.13Å; F503-T505 PolarHBondContact O-N 2.7Å; T505-V508 PolarHBondContact O-N 2.6Å; T505-I509 HydrophobicContact CG2-CD1 3.8Å; T505-I509 VanDerWaalsContact O-CG1 3.29Å; T505-I509 WeakPolarHBondContact O-CG1 3.36Å; T505-I509 PolarHBondContact O-N 3Å; T505-Y557 HydrophobicContact CG2-CD1 4.46Å; T505-A560 VanDerWaalsContact CA-CB 3.48Å; T505-A560 HydrophobicContact CG2-CB 3.87Å; T505-A560 WeakPolarHBondContact OG1-CB 3.3Å
506I80.4Confident82.8Confident7 Ų754.5 Ų54.54%0.03628%0.276CS..Hα-helixtrans-66.4-43.7179.7-58.8150.5000110.5R116 Y201 A502 F503 V508 I509 V510R116-I506 HydrophobicContact CB-CD1 3.55Å; R116-I506 HydrophobicContact CB-CG1 4.41Å; R116-I506 HydrophobicContact CG-CD1 3.26Å; R116-I506 HydrophobicContact CG-CG1 3.82Å; Y201-I506 HydrophobicContact CD2-CG2 4.27Å; Y201-I506 HydrophobicContact CE2-CG2 4.41Å; A502-I506 VanDerWaalsContact O-CD1 3.31Å; A502-I506 WeakPolarHBondContact O-CD1 3.45Å; A502-I506 WeakPolarHBondContact O-CG1 3.16Å; A502-I506 PolarHBondContact O-N 2.91Å; A502-I506 VanDerWaalsContact O-N 3.11Å; F503-I506 PolarHBondContact O-N 3.15Å; I506-V508 VanDerWaalsContact C-N 3.25Å; I506-V508 PolarHBondContact O-N 3.32Å; I506-I509 PolarHBondContact O-N 2.93Å; I506-V510 HydrophobicContact CG2-CG2 3.83Å; I506-V510 WeakPolarHBondContact O-CB 3.33Å; I506-V510 WeakPolarHBondContact O-CG2 3.14Å; I506-V510 PolarHBondContact O-N 3.45Å
507T86.8Confident83.7Confident52 Ų5253.8 Ų53.832%0.31927%0.272SS..Hα-helixtrans-54.1-45.1175.7-51.30000111.4Y201 F503 R504 G511Y201-T507 WeakPolarHBondContact OH-CB 3.46Å; Y201-T507 WeakPolarHBondContact OH-CG2 3.25Å; Y201-T507 PolarHBondContact OH-OG1 2.92Å; F503-T507 PolarHBondContact O-N 3.09Å; F503-T507 PolarHBondContact O-OG1 3.26Å; R504-T507 PolarHBondContact O-N 3.04Å; T507-G511 PolarHBondContact O-N 3.17Å
508V86.4Confident84.6Confident59 Ų5950.1 Ų50.136%0.35826%0.259SS..Hα-helixtrans-66.9-45.8179.1172.20000110.8R504 T505 I506 A512 F552 A556R504-V508 VanDerWaalsContact O-CG2 3.28Å; R504-V508 WeakPolarHBondContact O-CG2 3.33Å; R504-V508 PolarHBondContact O-N 3.16Å; R504-V508 VanDerWaalsContact O-N 3.1Å; T505-V508 PolarHBondContact O-N 2.6Å; I506-V508 VanDerWaalsContact C-N 3.25Å; I506-V508 PolarHBondContact O-N 3.32Å; V508-A512 WeakPolarHBondContact O-CB 3.31Å; V508-A512 PolarHBondContact O-N 3.39Å; V508-F552 HydrophobicContact CG1-CE1 3.75Å; V508-F552 HydrophobicContact CG1-CZ 4.18Å; V508-A556 HydrophobicContact CG1-CB 3.74Å
509I84.9Confident85.7Confident5 Ų543.5 Ų43.53%0.02624%0.239CC..Hα-helixtrans-65.4-51.1-179-66.9167.8000111.3V109 T505 I506 G511 A512 F513 A556 Y557V109-I509 HydrophobicContact CG1-CG2 4.21Å; V109-I509 HydrophobicContact CG2-CG2 4.37Å; T505-I509 HydrophobicContact CG2-CD1 3.8Å; T505-I509 VanDerWaalsContact O-CG1 3.29Å; T505-I509 WeakPolarHBondContact O-CG1 3.36Å; T505-I509 PolarHBondContact O-N 3Å; I506-I509 PolarHBondContact O-N 2.93Å; I509-G511 PolarHBondContact O-N 3.42Å; I509-A512 PolarHBondContact O-N 3.14Å; I509-F513 VanDerWaalsContact O-CB 3.28Å; I509-F513 WeakPolarHBondContact O-CB 3.36Å; I509-F513 PolarHBondContact O-N 3.28Å; I509-A556 HydrophobicContact CG1-CB 4.14Å; I509-Y557 HydrophobicContact CD1-CD1 4.4Å; I509-Y557 HydrophobicContact CD1-CE1 3.64Å
510V86.8Confident86.6Confident17 Ų1741.3 Ų41.310%0.10322%0.219CC..Hα-helixtrans-65.7-40-178.91760000110.9I506 A514I506-V510 HydrophobicContact CG2-CG2 3.83Å; I506-V510 WeakPolarHBondContact O-CB 3.33Å; I506-V510 WeakPolarHBondContact O-CG2 3.14Å; I506-V510 PolarHBondContact O-N 3.45Å; V510-A514 PolarHBondContact O-N 2.9Å
511G90.4Very high87.4Confident41 Ų4138.3 Ų38.342%0.42321%0.208SC..Hα-helixtrans-65.4-44.1176.500000112.8T507 I509 A514 L515T507-G511 PolarHBondContact O-N 3.17Å; I509-G511 PolarHBondContact O-N 3.42Å; G511-A514 PolarHBondContact O-N 3.14Å; G511-L515 WeakPolarHBondContact O-CB 3.23Å; G511-L515 PolarHBondContact O-N 2.9Å
512A90.6Very high88.2Confident7 Ų738.6 Ų38.66%0.05821%0.214CC..Hα-helixtrans-64.6-44.2175.800000111.6V508 I509 A514 L515 F516 F552V508-A512 WeakPolarHBondContact O-CB 3.31Å; V508-A512 PolarHBondContact O-N 3.39Å; I509-A512 PolarHBondContact O-N 3.14Å; A512-A514 PolarHBondContact O-N 2.93Å; A512-L515 PolarHBondContact O-N 3.45Å; A512-L515 VanDerWaalsContact O-N 3.15Å; A512-F516 HydrophobicContact CB-CD2 4.1Å; A512-F516 HydrophobicContact CB-CE2 4.12Å; A512-F516 WeakPolarHBondContact O-CB 3.13Å; A512-F516 WeakPolarHBondContact O-CD2 3.38Å; A512-F516 PolarHBondContact O-N 2.84Å; A512-F552 HydrophobicContact CB-CD1 3.48Å; A512-F552 VanDerWaalsContact CB-CD1 3.48Å; A512-F552 HydrophobicContact CB-CE1 3.5Å; A512-F552 VanDerWaalsContact CB-CE1 3.5Å; A512-F552 HydrophobicContact CB-CG 4.48Å
513F88.8Confident89.1Confident1 Ų137.6 Ų37.60%0.00420%0.204CC..Hα-helixtrans-55.5-51.4175.6178.1-90.9000111.3I106 V109 Y190 M197 I509 L515 F516 W517 N549I106-F513 HydrophobicContact CB-CE2 4.27Å; I106-F513 HydrophobicContact CB-CZ 4.04Å; I106-F513 HydrophobicContact CD1-CZ 4.41Å; I106-F513 HydrophobicContact CG1-CE2 3.82Å; I106-F513 HydrophobicContact CG1-CZ 3.67Å; I106-F513 HydrophobicContact CG2-CZ 3.87Å; V109-F513 HydrophobicContact CB-CD2 4.45Å; V109-F513 HydrophobicContact CG1-CB 4.46Å; V109-F513 HydrophobicContact CG1-CD2 4.48Å; V109-F513 HydrophobicContact CG1-CG 4.3Å; V109-F513 HydrophobicContact CG2-CD2 4.16Å; Y190-F513 HydrophobicContact CD2-CE1 4.46Å; Y190-F513 HydrophobicContact CD2-CZ 4.43Å; Y190-F513 AromaticContact CE2-CE1 3.82Å; Y190-F513 HydrophobicContact CE2-CE1 3.82Å; Y190-F513 HydrophobicContact CE2-CZ 4.08Å; M197-F513 HydrophobicContact CE-CE1 4.16Å; M197-F513 HydrophobicContact CE-CZ 4.48Å; M197-F513 HydrophobicContact SD-CD1 4.45Å; I509-F513 VanDerWaalsContact O-CB 3.28Å; I509-F513 WeakPolarHBondContact O-CB 3.36Å; I509-F513 PolarHBondContact O-N 3.28Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 2.68Å; F513-F516 PolarHBondContact O-N 2.96Å; F513-W517 AromaticContact CD2-CD1 3.46Å; F513-W517 VanDerWaalsContact CD2-CD1 3.46Å; F513-W517 HydrophobicContact CD2-CG 4.2Å; F513-W517 AromaticContact CD2-NE1 3.44Å; F513-W517 AromaticContact CE2-CD1 3.58Å; F513-W517 HydrophobicContact CE2-CD2 4.04Å; F513-W517 AromaticContact CE2-CE2 3.67Å; F513-W517 AromaticContact CE2-CG 3.92Å; F513-W517 HydrophobicContact CE2-CG 3.92Å; F513-W517 HydrophobicContact CE2-CZ2 4.28Å; F513-W517 AromaticContact CE2-NE1 3.41Å; F513-W517 HydrophobicContact CZ-CD2 4.36Å; F513-W517 HydrophobicContact CZ-CG 4.16Å; F513-W517 VanDerWaalsContact O-CB 3.3Å; F513-W517 WeakPolarHBondContact O-CB 3.42Å; F513-W517 PolarHBondContact O-N 2.92Å; F513-N549 WeakPolarHBondContact CA-OD1 3.47Å
514A92Very high89.5Confident27 Ų2735.4 Ų35.422%0.22320%0.195CC..Hα-helixtrans-61.5-39.3177.400000112.5L194 V510 G511 A512 S518L194-A514 HydrophobicContact CD1-CB 3.91Å; V510-A514 PolarHBondContact O-N 2.9Å; G511-A514 PolarHBondContact O-N 3.14Å; A512-A514 PolarHBondContact O-N 2.93Å; A514-S518 WeakPolarHBondContact O-CB 3.13Å; A514-S518 PolarHBondContact O-N 3.47Å; A514-S518 VanDerWaalsContact O-N 3.16Å; A514-S518 PolarHBondContact O-OG 3.44Å
515L94.2Very high89.9Confident118 Ų11829 Ų2962%0.61817%0.174SC*.Hα-helixtrans-67.4-43.9-179.1-179.266.4000112.7G511 A512 F513 P519G511-L515 WeakPolarHBondContact O-CB 3.23Å; G511-L515 PolarHBondContact O-N 2.9Å; A512-L515 PolarHBondContact O-N 3.45Å; A512-L515 VanDerWaalsContact O-N 3.15Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 2.68Å; L515-P519 WeakPolarHBondContact O-CD 3.45Å; L515-P519 WeakPolarHBondContact O-CG 3.13Å
516F95.1Very high90.3Very high36 Ų3632 Ų3216%0.15819%0.189CC..Hα-helixtrans-81.7-33.1-174.4-74.9-55000113A512 F513 L545 C546 L548 N549 F552A512-F516 HydrophobicContact CB-CD2 4.1Å; A512-F516 HydrophobicContact CB-CE2 4.12Å; A512-F516 WeakPolarHBondContact O-CB 3.13Å; A512-F516 WeakPolarHBondContact O-CD2 3.38Å; A512-F516 PolarHBondContact O-N 2.84Å; F513-F516 PolarHBondContact O-N 2.96Å; F516-L545 WeakPolarHBondContact CB-O 3.43Å; F516-L545 HydrophobicContact CD1-CD2 4.15Å; F516-L545 HydrophobicContact CE1-CD2 4.43Å; F516-L545 CarbonylContact O-C 3.27Å; F516-C546 PolarHBondContact O-N 2.9Å; F516-L548 HydrophobicContact CD1-CB 4.26Å; F516-L548 HydrophobicContact CE1-CB 4.27Å; F516-N549 HydrophobicContact CB-CB 3.87Å; F516-N549 HydrophobicContact CD2-CB 4.23Å; F516-N549 HydrophobicContact CG-CB 4.32Å; F516-F552 HydrophobicContact CE2-CB 3.92Å; F516-F552 HydrophobicContact CE2-CD1 4.31Å; F516-F552 HydrophobicContact CE2-CD2 4.27Å; F516-F552 AromaticContact CE2-CG 3.92Å; F516-F552 HydrophobicContact CE2-CG 3.92Å
517W94.6Very high90.6Very high4 Ų435.4 Ų35.42%0.01520%0.202CC..Hα-helixtrans-89.9-33.7-177.4-73.180.4000114.3C102 I106 Y190 F513 P519 Y520 Y521 C546 N549C102-W517 HydrophobicContact CB-CH2 3.61Å; C102-W517 HydrophobicContact CB-CZ3 4.14Å; I106-W517 HydrophobicContact CD1-CE3 4.25Å; I106-W517 HydrophobicContact CD1-CH2 4.05Å; I106-W517 HydrophobicContact CD1-CZ3 3.82Å; I106-W517 HydrophobicContact CG1-CH2 3.88Å; I106-W517 HydrophobicContact CG1-CZ2 4.13Å; I106-W517 HydrophobicContact CG1-CZ3 4.13Å; Y190-W517 HydrophobicContact CD2-CB 4.47Å; Y190-W517 HydrophobicContact CE2-CB 3.54Å; Y190-W517 HydrophobicContact CE2-CG 4.4Å; F513-W517 AromaticContact CD2-CD1 3.46Å; F513-W517 VanDerWaalsContact CD2-CD1 3.46Å; F513-W517 HydrophobicContact CD2-CG 4.2Å; F513-W517 AromaticContact CD2-NE1 3.44Å; F513-W517 AromaticContact CE2-CD1 3.58Å; F513-W517 HydrophobicContact CE2-CD2 4.04Å; F513-W517 AromaticContact CE2-CE2 3.67Å; F513-W517 AromaticContact CE2-CG 3.92Å; F513-W517 HydrophobicContact CE2-CG 3.92Å; F513-W517 HydrophobicContact CE2-CZ2 4.28Å; F513-W517 AromaticContact CE2-NE1 3.41Å; F513-W517 HydrophobicContact CZ-CD2 4.36Å; F513-W517 HydrophobicContact CZ-CG 4.16Å; F513-W517 VanDerWaalsContact O-CB 3.3Å; F513-W517 WeakPolarHBondContact O-CB 3.42Å; F513-W517 PolarHBondContact O-N 2.92Å; W517-P519 VanDerWaalsContact C-CD 3.47Å; W517-Y520 PolarHBondContact O-N 3.28Å; W517-Y521 HydrophobicContact CB-CD2 4.38Å; W517-Y521 HydrophobicContact CB-CE2 4.4Å; W517-Y521 HydrophobicContact CD2-CE2 4.37Å; W517-Y521 HydrophobicContact CE3-CD2 4.3Å; W517-Y521 AromaticContact CE3-CE2 3.39Å; W517-Y521 HydrophobicContact CE3-CE2 3.39Å; W517-Y521 AromaticContact CZ3-CE2 3.96Å; W517-Y521 HydrophobicContact CZ3-CE2 3.96Å; W517-Y521 WeakPolarHBondContact O-CD2 3.23Å; W517-Y521 PolarHBondContact O-N 3.29Å; W517-C546 HydrophobicContact CD2-CB 4.31Å; W517-C546 HydrophobicContact CE3-CB 4.14Å; W517-C546 HydrophobicContact CZ3-CB 4.49Å; W517-N549 PolarHBondContact NE1-ND2 3.12Å; W517-N549 VanDerWaalsContact NE1-ND2 3.17Å
518S94.3Very high90.4Very high23 Ų2333.6 Ų33.616%0.16119%0.194CC..Hα-helixtrans-58.8-41.6-175.1-60.30000113.9Y190 A514 Y520 Y521 I522Y190-S518 VanDerWaalsContact OH-CA 3.25Å; Y190-S518 WeakPolarHBondContact OH-CA 3.25Å; Y190-S518 PolarHBondContact OH-N 2.98Å; Y190-S518 PolarHBondContact OH-OG 3.02Å; A514-S518 WeakPolarHBondContact O-CB 3.13Å; A514-S518 PolarHBondContact O-N 3.47Å; A514-S518 VanDerWaalsContact O-N 3.16Å; A514-S518 PolarHBondContact O-OG 3.44Å; S518-Y520 VanDerWaalsContact C-N 3.28Å; S518-Y520 PolarHBondContact O-N 2.74Å; S518-Y521 PolarHBondContact O-N 3.4Å; S518-I522 WeakPolarHBondContact O-CB 3.5Å; S518-I522 WeakPolarHBondContact O-CD1 3.5Å; S518-I522 WeakPolarHBondContact O-CG1 3.16Å; S518-I522 PolarHBondContact O-N 2.93Å
519P95.1Very high90.3Very high41 Ų4138.3 Ų38.327%0.26621%0.21SC..Hα-helixtrans-54.5-44.6179.8-28.236.9000112.6L515 W517 V523 L545L515-P519 WeakPolarHBondContact O-CD 3.45Å; L515-P519 WeakPolarHBondContact O-CG 3.13Å; W517-P519 VanDerWaalsContact C-CD 3.47Å; P519-V523 WeakPolarHBondContact O-CB 3.38Å; P519-V523 WeakPolarHBondContact O-CG2 3.29Å; P519-V523 PolarHBondContact O-N 2.96Å; P519-L545 HydrophobicContact CB-CD1 4.15Å; P519-L545 HydrophobicContact CG-CD1 4.22Å
520Y94Very high90.3Very high12 Ų1240.1 Ų40.15%0.04722%0.223CC..Hα-helixtrans-63.4-51.2178.2175.1-109000111.9W517 S518 I522 V523 A524 F539 S542 Y543 C546W517-Y520 PolarHBondContact O-N 3.28Å; S518-Y520 VanDerWaalsContact C-N 3.28Å; S518-Y520 PolarHBondContact O-N 2.74Å; Y520-I522 VanDerWaalsContact C-N 3.3Å; Y520-I522 PolarHBondContact O-N 2.85Å; Y520-V523 PolarHBondContact O-N 3.02Å; Y520-A524 HydrophobicContact CE1-CB 4.49Å; Y520-A524 HydrophobicContact CE2-CB 4.31Å; Y520-A524 WeakPolarHBondContact O-CB 3.25Å; Y520-A524 PolarHBondContact O-N 3.46Å; Y520-F539 AromaticContact CE2-CE1 4Å; Y520-F539 HydrophobicContact CE2-CE1 4Å; Y520-F539 HydrophobicContact CE2-CE2 4.05Å; Y520-F539 AromaticContact CE2-CZ 3.63Å; Y520-F539 HydrophobicContact CE2-CZ 3.63Å; Y520-S542 WeakPolarHBondContact CA-OG 3.31Å; Y520-Y543 AromaticContact CD2-CD2 3.92Å; Y520-Y543 HydrophobicContact CD2-CD2 3.92Å; Y520-Y543 HydrophobicContact CD2-CG 4.48Å; Y520-Y543 AromaticContact CE2-CD2 3.36Å; Y520-Y543 HydrophobicContact CE2-CD2 3.36Å; Y520-Y543 AromaticContact CE2-CE2 3.93Å; Y520-Y543 HydrophobicContact CE2-CE2 3.93Å; Y520-Y543 HydrophobicContact CE2-CG 4.31Å; Y520-Y543 AromaticContact CZ-CD2 3.8Å; Y520-Y543 AromaticContact CZ-CE2 3.88Å; Y520-C546 WeakPolarHBondContact CB-SG 3.34Å
521Y92.8Very high90.1Very high20 Ų2044.8 Ų44.88%0.07824%0.243CC..Hα-helixtrans-67.1-31.4-177.7-73.8-70.2000113I106 Y186 Y190 W517 S518 T525I106-Y521 HydrophobicContact CD1-CE2 4.4Å; I106-Y521 WeakPolarHBondContact CD1-OH 3.44Å; Y186-Y521 AromaticContact CD1-CD1 3.59Å; Y186-Y521 HydrophobicContact CD1-CD1 3.59Å; Y186-Y521 AromaticContact CD1-CE1 3.58Å; Y186-Y521 HydrophobicContact CD1-CE1 3.58Å; Y186-Y521 HydrophobicContact CE1-CD1 4.17Å; Y186-Y521 HydrophobicContact CE1-CE1 4.07Å; Y186-Y521 HydrophobicContact CG-CD1 4.04Å; Y186-Y521 HydrophobicContact CG-CE1 4.44Å; Y190-Y521 VanDerWaalsContact CD1-CB 3.45Å; Y190-Y521 HydrophobicContact CD1-CD1 4.22Å; Y190-Y521 AromaticContact CD1-CD2 3.27Å; Y190-Y521 HydrophobicContact CD1-CD2 3.27Å; Y190-Y521 AromaticContact CD1-CE2 3.97Å; Y190-Y521 HydrophobicContact CD1-CE2 3.97Å; Y190-Y521 AromaticContact CD1-CG 3.39Å; Y190-Y521 HydrophobicContact CD1-CG 3.39Å; Y190-Y521 AromaticContact CD2-CD2 3.26Å; Y190-Y521 HydrophobicContact CD2-CD2 3.26Å; Y190-Y521 AromaticContact CD2-CE2 3.11Å; Y190-Y521 HydrophobicContact CD2-CE2 3.11Å; Y190-Y521 HydrophobicContact CD2-CG 4.14Å; Y190-Y521 AromaticContact CD2-CZ 3.98Å; Y190-Y521 AromaticContact CE1-CD2 3.6Å; Y190-Y521 HydrophobicContact CE1-CD2 3.6Å; Y190-Y521 HydrophobicContact CE1-CE2 4.46Å; Y190-Y521 AromaticContact CE1-CG 3.97Å; Y190-Y521 HydrophobicContact CE1-CG 3.97Å; Y190-Y521 AromaticContact CE2-CD2 3.59Å; Y190-Y521 HydrophobicContact CE2-CD2 3.59Å; Y190-Y521 AromaticContact CE2-CE2 3.71Å; Y190-Y521 HydrophobicContact CE2-CE2 3.71Å; Y190-Y521 HydrophobicContact CG-CD1 4.04Å; Y190-Y521 AromaticContact CG-CD2 3.07Å; Y190-Y521 HydrophobicContact CG-CD2 3.07Å; Y190-Y521 HydrophobicContact CG-CE1 4.23Å; Y190-Y521 AromaticContact CG-CE2 3.25Å; Y190-Y521 HydrophobicContact CG-CE2 3.25Å; Y190-Y521 AromaticContact CG-CG 3.47Å; Y190-Y521 HydrophobicContact CG-CG 3.47Å; Y190-Y521 VanDerWaalsContact CG-CG 3.47Å; Y190-Y521 AromaticContact CG-CZ 3.87Å; Y190-Y521 AromaticContact CZ-CD2 3.75Å; W517-Y521 HydrophobicContact CB-CD2 4.38Å; W517-Y521 HydrophobicContact CB-CE2 4.4Å; W517-Y521 HydrophobicContact CD2-CE2 4.37Å; W517-Y521 HydrophobicContact CE3-CD2 4.3Å; W517-Y521 AromaticContact CE3-CE2 3.39Å; W517-Y521 HydrophobicContact CE3-CE2 3.39Å; W517-Y521 AromaticContact CZ3-CE2 3.96Å; W517-Y521 HydrophobicContact CZ3-CE2 3.96Å; W517-Y521 WeakPolarHBondContact O-CD2 3.23Å; W517-Y521 PolarHBondContact O-N 3.29Å; S518-Y521 PolarHBondContact O-N 3.4Å; Y521-T525 VanDerWaalsContact O-CB 3.22Å; Y521-T525 WeakPolarHBondContact O-CB 3.31Å; Y521-T525 PolarHBondContact O-N 3.01Å; Y521-T525 PolarHBondContact O-OG1 2.65Å
522I92.7Very high89.9Confident79 Ų7950.6 Ų50.641%0.40526%0.264SS..Hα-helixtrans-64-52.5171.4-68.3164.3000109.7W191 S518 Y520 A524 T525 I526W191-I522 HydrophobicContact CH2-CD1 4.48Å; W191-I522 HydrophobicContact CH2-CG1 3.78Å; W191-I522 HydrophobicContact CZ2-CG1 3.9Å; S518-I522 WeakPolarHBondContact O-CB 3.5Å; S518-I522 WeakPolarHBondContact O-CD1 3.5Å; S518-I522 WeakPolarHBondContact O-CG1 3.16Å; S518-I522 PolarHBondContact O-N 2.93Å; Y520-I522 VanDerWaalsContact C-N 3.3Å; Y520-I522 PolarHBondContact O-N 2.85Å; I522-A524 PolarHBondContact O-N 3.39Å; I522-T525 WeakPolarHBondContact O-CB 3.28Å; I522-T525 PolarHBondContact O-N 3.14Å; I522-I526 HydrophobicContact CG2-CD1 4.04Å; I522-I526 WeakPolarHBondContact O-CG1 3.47Å; I522-I526 PolarHBondContact O-N 2.92Å
523V91.8Very high89.9Confident12 Ų1254 Ų547%0.07329%0.287CS..Hα-helixtrans-62.9-43.3-178.3171.70000111.4P519 Y520 T525 I526 Y527 V534 L538 F539P519-V523 WeakPolarHBondContact O-CB 3.38Å; P519-V523 WeakPolarHBondContact O-CG2 3.29Å; P519-V523 PolarHBondContact O-N 2.96Å; Y520-V523 PolarHBondContact O-N 3.02Å; V523-T525 VanDerWaalsContact C-N 3.35Å; V523-I526 PolarHBondContact O-N 3.44Å; V523-Y527 WeakPolarHBondContact O-CB 3.17Å; V523-Y527 PolarHBondContact O-N 3.03Å; V523-V534 HydrophobicContact CG1-CB 4.37Å; V523-V534 HydrophobicContact CG1-CG1 3.3Å; V523-V534 HydrophobicContact CG1-CG2 4.16Å; V523-L538 HydrophobicContact CG1-CG 4.45Å; V523-L538 HydrophobicContact CG2-CD2 4.06Å; V523-L538 HydrophobicContact CG2-CG 3.99Å; V523-F539 HydrophobicContact CG1-CB 4.25Å; V523-F539 HydrophobicContact CG1-CD2 4.01Å
524A88.4Confident89.9Confident0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-67.6-34.5177.900000112.4Y186 Y520 I522 Y527 G528 F539Y186-A524 HydrophobicContact CD2-CB 4.25Å; Y186-A524 HydrophobicContact CE1-CB 4.36Å; Y186-A524 HydrophobicContact CE2-CB 3.49Å; Y186-A524 VanDerWaalsContact CE2-CB 3.49Å; Y520-A524 HydrophobicContact CE1-CB 4.49Å; Y520-A524 HydrophobicContact CE2-CB 4.31Å; Y520-A524 WeakPolarHBondContact O-CB 3.25Å; Y520-A524 PolarHBondContact O-N 3.46Å; I522-A524 PolarHBondContact O-N 3.39Å; A524-Y527 PolarHBondContact O-N 2.91Å; A524-G528 PolarHBondContact O-N 3.25Å; A524-G528 VanDerWaalsContact O-N 3.13Å; A524-F539 HydrophobicContact CB-CE2 4.05Å
525T87.7Confident89.8Confident34 Ų3456.9 Ų56.921%0.20930%0.304CS..Hα-helixtrans-61.7-48.5170.8-600000110M183 Y521 I522 V523 Y527 G528 F529M183-T525 WeakPolarHBondContact CE-O 3.47Å; M183-T525 HydrophobicContact SD-CG2 3.82Å; Y521-T525 VanDerWaalsContact O-CB 3.22Å; Y521-T525 WeakPolarHBondContact O-CB 3.31Å; Y521-T525 PolarHBondContact O-N 3.01Å; Y521-T525 PolarHBondContact O-OG1 2.65Å; I522-T525 WeakPolarHBondContact O-CB 3.28Å; I522-T525 PolarHBondContact O-N 3.14Å; V523-T525 VanDerWaalsContact C-N 3.35Å; T525-Y527 PolarHBondContact O-N 2.02Å; T525-G528 PolarHBondContact O-N 3.12Å; T525-F529 HydrophobicContact CG2-CD2 4.29Å; T525-F529 HydrophobicContact CG2-CE2 3.89Å; T525-F529 WeakPolarHBondContact O-CD2 3.41Å
526I89Confident89.4Confident78 Ų7855.3 Ų55.340%0.430%0.296SS..Hα-helixtrans-61.6-46.4177.6-63.5165.3000110.7I522 V523 G528 F529 C530 C533 V534I522-I526 HydrophobicContact CG2-CD1 4.04Å; I522-I526 WeakPolarHBondContact O-CG1 3.47Å; I522-I526 PolarHBondContact O-N 2.92Å; V523-I526 PolarHBondContact O-N 3.44Å; I526-G528 VanDerWaalsContact C-N 3.29Å; I526-G528 PolarHBondContact O-N 2.97Å; I526-F529 PolarHBondContact O-N 3.47Å; I526-C530 PolarHBondContact O-N 3.41Å; I526-C533 HydrophobicContact CG2-CB 4.07Å; I526-V534 HydrophobicContact CB-CG2 4.06Å; I526-V534 HydrophobicContact CG2-CG2 3.71Å
527Y85.8Confident89.1Confident77 Ų7756.9 Ų56.930%0.30232%0.315SS..Hα-helixtrans-57.8-39.4-178-178-99000112.7V523 A524 T525 F529 C530 Q531 V534 F539V523-Y527 WeakPolarHBondContact O-CB 3.17Å; V523-Y527 PolarHBondContact O-N 3.03Å; A524-Y527 PolarHBondContact O-N 2.91Å; T525-Y527 PolarHBondContact O-N 2.02Å; Y527-F529 VanDerWaalsContact C-N 3.31Å; Y527-F529 PolarHBondContact O-N 2.97Å; Y527-C530 CarbonylContact O-C 3.46Å; Y527-C530 VanDerWaalsContact O-C 3.27Å; Y527-C530 PolarHBondContact O-N 3.36Å; Y527-Q531 HydrophobicContact CD2-CB 4.5Å; Y527-Q531 HydrophobicContact CE1-CG 4.31Å; Y527-Q531 HydrophobicContact CE2-CB 4.05Å; Y527-Q531 HydrophobicContact CE2-CG 4.29Å; Y527-Q531 WeakPolarHBondContact O-CA 3.41Å; Y527-Q531 WeakPolarHBondContact O-CG 3.49Å; Y527-Q531 PolarHBondContact O-N 3.33Å; Y527-V534 HydrophobicContact CD2-CB 4.19Å; Y527-F539 HydrophobicContact CG-CD2 4.48Å
528G83Confident89Confident14 Ų1460.8 Ų60.814%0.14434%0.336CS..Hα-helixtrans-75.3-15.3178.600000114.8P179 A524 T525 I526P179-G528 WeakPolarHBondContact CB-O 3.21Å; A524-G528 PolarHBondContact O-N 3.25Å; A524-G528 VanDerWaalsContact O-N 3.13Å; T525-G528 PolarHBondContact O-N 3.12Å; I526-G528 VanDerWaalsContact C-N 3.29Å; I526-G528 PolarHBondContact O-N 2.97Å
529F83.5Confident88.8Confident159 Ų15961.9 Ų61.970%0.69734%0.338SS*.Hα-helixtrans-93.1-30.6168.1-68.2-69.9000112.8M183 T525 I526 Y527M183-F529 HydrophobicContact CE-CD2 4.45Å; M183-F529 HydrophobicContact CE-CE2 4.4Å; M183-F529 HydrophobicContact CG-CE1 4.37Å; M183-F529 HydrophobicContact CG-CE2 3.96Å; M183-F529 HydrophobicContact CG-CZ 3.77Å; M183-F529 HydrophobicContact SD-CD2 4.07Å; M183-F529 HydrophobicContact SD-CE2 3.47Å; M183-F529 WeakPolarHBondContact SD-CE2 3.21Å; M183-F529 HydrophobicContact SD-CZ 3.93Å; T525-F529 HydrophobicContact CG2-CD2 4.29Å; T525-F529 HydrophobicContact CG2-CE2 3.89Å; T525-F529 WeakPolarHBondContact O-CD2 3.41Å; I526-F529 PolarHBondContact O-N 3.47Å; Y527-F529 VanDerWaalsContact C-N 3.31Å; Y527-F529 PolarHBondContact O-N 2.97Å
530C85.9Confident88.6Confident43 Ų4361.2 Ų61.229%0.29133%0.332SS..  trans-147.999.9-177.9179.90000110.1I526 Y527 D532 C533I526-C530 PolarHBondContact O-N 3.41Å; Y527-C530 CarbonylContact O-C 3.46Å; Y527-C530 VanDerWaalsContact O-C 3.27Å; Y527-C530 PolarHBondContact O-N 3.36Å; C530-D532 VanDerWaalsContact C-N 3.35Å; C530-D532 PolarHBondContact O-N 3.03Å; C530-C533 HydrophobicContact CB-CB 3.66Å; C530-C533 WeakPolarHBondContact CB-SG 3.36Å; C530-C533 PolarHBondContact O-N 2.88Å; C530-C533 WeakPolarHBondContact SG-CB 3.38Å; C530-C533 PolarHBondContact SG-N 2.88Å; C530-C533 CovalentContact SG-SG 2.03Å; C530-C533 PolarHBondContact SG-SG 2.75Å
531Q81.8Confident88.5Confident114 Ų11464.5 Ų64.553%0.53335%0.353SS..G310 helixtrans-67-36.2-177.5-67.1179.7-8.700112Y527 C533Y527-Q531 HydrophobicContact CD2-CB 4.5Å; Y527-Q531 HydrophobicContact CE1-CG 4.31Å; Y527-Q531 HydrophobicContact CE2-CB 4.05Å; Y527-Q531 HydrophobicContact CE2-CG 4.29Å; Y527-Q531 WeakPolarHBondContact O-CA 3.41Å; Y527-Q531 WeakPolarHBondContact O-CG 3.49Å; Y527-Q531 PolarHBondContact O-N 3.33Å; Q531-C533 VanDerWaalsContact C-N 3.31Å; Q531-C533 PolarHBondContact O-N 3.31Å
532D86.2Confident88.6Confident163 Ų16363.7 Ų63.787%0.87235%0.351SS*.G310 helixtrans-79-11.9-179.3-59.4-47.4000113.8C530 V534C530-D532 VanDerWaalsContact C-N 3.35Å; C530-D532 PolarHBondContact O-N 3.03Å; D532-V534 VanDerWaalsContact C-N 3.3Å; D532-V534 PolarHBondContact O-N 3.21Å
533C90.4Very high88.7Confident80 Ų8061 Ų6154%0.54134%0.336SS..G310 helixtrans-76.9-17.7-177.6-70.40000113.2I526 C530 Q531I526-C533 HydrophobicContact CG2-CB 4.07Å; C530-C533 HydrophobicContact CB-CB 3.66Å; C530-C533 WeakPolarHBondContact CB-SG 3.36Å; C530-C533 PolarHBondContact O-N 2.88Å; C530-C533 WeakPolarHBondContact SG-CB 3.38Å; C530-C533 PolarHBondContact SG-N 2.88Å; C530-C533 CovalentContact SG-SG 2.03Å; C530-C533 PolarHBondContact SG-SG 2.75Å; Q531-C533 VanDerWaalsContact C-N 3.31Å; Q531-C533 PolarHBondContact O-N 3.31Å
534V88.7Confident88.8Confident9 Ų962.4 Ų62.46%0.05534%0.34CS..SBendtrans-116.9115-172.6175.60000109.1V523 I526 Y527 D532 N536 F539V523-V534 HydrophobicContact CG1-CB 4.37Å; V523-V534 HydrophobicContact CG1-CG1 3.3Å; V523-V534 HydrophobicContact CG1-CG2 4.16Å; I526-V534 HydrophobicContact CB-CG2 4.06Å; I526-V534 HydrophobicContact CG2-CG2 3.71Å; Y527-V534 HydrophobicContact CD2-CB 4.19Å; D532-V534 VanDerWaalsContact C-N 3.3Å; D532-V534 PolarHBondContact O-N 3.21Å; V534-N536 PolarHBondContact O-N 3.35Å; V534-F539 HydrophobicContact CG1-CB 4.08Å
535P91.3Very high89.1Confident79 Ų7964.9 Ų64.951%0.51335%0.353SS..  trans-66.5137.6172.926.2-30.6000110A537 L538 F539P535-A537 PolarHBondContact O-N 3.29Å; P535-A537 VanDerWaalsContact O-N 3.07Å; P535-L538 HydrophobicContact CG-CB 3.79Å; P535-L538 HydrophobicContact CG-CD2 4.49Å; P535-L538 WeakPolarHBondContact O-CA 3.31Å; P535-L538 WeakPolarHBondContact O-CB 3.45Å; P535-L538 PolarHBondContact O-N 2.98Å; P535-F539 PolarHBondContact O-N 3.09Å
536N86Confident89.5Confident85 Ų8563.5 Ų63.546%0.45535%0.345SS..Hα-helixtrans-51.7-36.9-179.5-71.9-7.7000113E82 V534 L538 F539 L540E82-N536 PolarHBondContact OE1-ND2 2.85Å; V534-N536 PolarHBondContact O-N 3.35Å; N536-L538 VanDerWaalsContact C-N 3.3Å; N536-L538 PolarHBondContact O-N 2.88Å; N536-F539 PolarHBondContact O-N 3.25Å; N536-L540 WeakPolarHBondContact O-CB 3.37Å; N536-L540 VanDerWaalsContact O-CG 3.27Å; N536-L540 WeakPolarHBondContact O-CG 3Å; N536-L540 PolarHBondContact O-N 3.21Å
537A88.2Confident89.8Confident68 Ų6859.9 Ų59.956%0.56233%0.326SS*.Hα-helixtrans-59.5-38.717600000112.8P535 T541P535-A537 PolarHBondContact O-N 3.29Å; P535-A537 VanDerWaalsContact O-N 3.07Å; A537-T541 WeakPolarHBondContact O-CB 2.98Å; A537-T541 PolarHBondContact O-N 2.86Å; A537-T541 PolarHBondContact O-OG1 2.95Å
538L92.5Very high90.2Very high86 Ų8657.9 Ų57.945%0.4532%0.32SS..Hα-helixtrans-70.1-43.9177.3-178.764.9000111V523 P535 N536 T541 S542V523-L538 HydrophobicContact CG1-CG 4.45Å; V523-L538 HydrophobicContact CG2-CD2 4.06Å; V523-L538 HydrophobicContact CG2-CG 3.99Å; P535-L538 HydrophobicContact CG-CB 3.79Å; P535-L538 HydrophobicContact CG-CD2 4.49Å; P535-L538 WeakPolarHBondContact O-CA 3.31Å; P535-L538 WeakPolarHBondContact O-CB 3.45Å; P535-L538 PolarHBondContact O-N 2.98Å; N536-L538 VanDerWaalsContact C-N 3.3Å; N536-L538 PolarHBondContact O-N 2.88Å; L538-T541 PolarHBondContact O-N 3.26Å; L538-S542 VanDerWaalsContact O-CB 3.3Å; L538-S542 WeakPolarHBondContact O-CB 3.27Å; L538-S542 PolarHBondContact O-N 3.48Å; L538-S542 PolarHBondContact O-OG 3.48Å
539F90.2Very high90.7Very high46 Ų4657.3 Ų57.320%0.20231%0.314CS..Hα-helixtrans-57.3-51.5175.4-171.5-86000110.9Y520 V523 A524 Y527 V534 P535 N536 S542 Y543Y520-F539 AromaticContact CE2-CE1 4Å; Y520-F539 HydrophobicContact CE2-CE1 4Å; Y520-F539 HydrophobicContact CE2-CE2 4.05Å; Y520-F539 AromaticContact CE2-CZ 3.63Å; Y520-F539 HydrophobicContact CE2-CZ 3.63Å; V523-F539 HydrophobicContact CG1-CB 4.25Å; V523-F539 HydrophobicContact CG1-CD2 4.01Å; A524-F539 HydrophobicContact CB-CE2 4.05Å; Y527-F539 HydrophobicContact CG-CD2 4.48Å; V534-F539 HydrophobicContact CG1-CB 4.08Å; P535-F539 PolarHBondContact O-N 3.09Å; N536-F539 PolarHBondContact O-N 3.25Å; F539-S542 PolarHBondContact O-N 3.13Å; F539-S542 PolarHBondContact O-OG 3.3Å; F539-Y543 HydrophobicContact CE1-CD2 4.44Å; F539-Y543 PolarHBondContact O-N 2.6Å
540L90.4Very high91.2Very high27 Ų2749.8 Ų49.814%0.14128%0.281CS..Hα-helixtrans-64.4-43.6179.6-67.3173.6000112.7V78 N536 S542 Y543 Y544V78-L540 HydrophobicContact CB-CD1 4.46Å; V78-L540 HydrophobicContact CG1-CD1 4Å; V78-L540 HydrophobicContact CG2-CD1 3.8Å; V78-L540 HydrophobicContact CG2-CD2 3.61Å; V78-L540 HydrophobicContact CG2-CG 4.17Å; N536-L540 WeakPolarHBondContact O-CB 3.37Å; N536-L540 VanDerWaalsContact O-CG 3.27Å; N536-L540 WeakPolarHBondContact O-CG 3Å; N536-L540 PolarHBondContact O-N 3.21Å; L540-S542 VanDerWaalsContact C-N 3.28Å; L540-S542 PolarHBondContact O-N 3.47Å; L540-Y543 VanDerWaalsContact O-CB 3.31Å; L540-Y543 WeakPolarHBondContact O-CB 3.41Å; L540-Y543 PolarHBondContact O-N 2.96Å; L540-Y543 VanDerWaalsContact O-N 3.12Å; L540-Y544 VanDerWaalsContact O-CD2 3.24Å; L540-Y544 WeakPolarHBondContact O-CD2 3.49Å; L540-Y544 PolarHBondContact O-N 3.3Å
541T92.6Very high91.5Very high81 Ų8148 Ų4850%0.49727%0.269SS..Hα-helixtrans-60.7-41.1176.3-58.80000110.9A537 L538 Y543 Y544 L545A537-T541 WeakPolarHBondContact O-CB 2.98Å; A537-T541 PolarHBondContact O-N 2.86Å; A537-T541 PolarHBondContact O-OG1 2.95Å; L538-T541 PolarHBondContact O-N 3.26Å; T541-Y543 VanDerWaalsContact C-N 3.31Å; T541-Y543 PolarHBondContact O-N 3.43Å; T541-Y544 PolarHBondContact O-N 3.39Å; T541-L545 WeakPolarHBondContact O-CG 3.18Å; T541-L545 PolarHBondContact O-N 2.9Å
542S94.5Very high92.1Very high3 Ų346 Ų462%0.02126%0.258CS..Hα-helixtrans-65.6-34.3176.176.50000112.5Y520 L538 F539 L540 L545 C546Y520-S542 WeakPolarHBondContact CA-OG 3.31Å; L538-S542 VanDerWaalsContact O-CB 3.3Å; L538-S542 WeakPolarHBondContact O-CB 3.27Å; L538-S542 PolarHBondContact O-N 3.48Å; L538-S542 PolarHBondContact O-OG 3.48Å; F539-S542 PolarHBondContact O-N 3.13Å; F539-S542 PolarHBondContact O-OG 3.3Å; L540-S542 VanDerWaalsContact C-N 3.28Å; L540-S542 PolarHBondContact O-N 3.47Å; S542-L545 WeakPolarHBondContact O-CB 3.32Å; S542-L545 PolarHBondContact O-N 3Å; S542-C546 PolarHBondContact O-N 2.93Å
543Y94Very high92.2Very high24 Ų2438.2 Ų38.29%0.09422%0.217CC..Hα-helixtrans-64.5-46.7172.9-153.8-75.8000112.3L74 D98 Y520 F539 L540 T541 L545 C546 Y547L74-Y543 HydrophobicContact CD1-CD1 4.03Å; L74-Y543 HydrophobicContact CD1-CE1 4.26Å; L74-Y543 HydrophobicContact CD2-CD1 3.48Å; L74-Y543 VanDerWaalsContact CD2-CD1 3.48Å; L74-Y543 HydrophobicContact CD2-CE1 4.06Å; L74-Y543 HydrophobicContact CD2-CG 4.36Å; L74-Y543 HydrophobicContact CG-CD1 4.4Å; D98-Y543 PolarHBondContact OD2-OH 3.24Å; Y520-Y543 AromaticContact CD2-CD2 3.92Å; Y520-Y543 HydrophobicContact CD2-CD2 3.92Å; Y520-Y543 HydrophobicContact CD2-CG 4.48Å; Y520-Y543 AromaticContact CE2-CD2 3.36Å; Y520-Y543 HydrophobicContact CE2-CD2 3.36Å; Y520-Y543 AromaticContact CE2-CE2 3.93Å; Y520-Y543 HydrophobicContact CE2-CE2 3.93Å; Y520-Y543 HydrophobicContact CE2-CG 4.31Å; Y520-Y543 AromaticContact CZ-CD2 3.8Å; Y520-Y543 AromaticContact CZ-CE2 3.88Å; F539-Y543 HydrophobicContact CE1-CD2 4.44Å; F539-Y543 PolarHBondContact O-N 2.6Å; L540-Y543 VanDerWaalsContact O-CB 3.31Å; L540-Y543 WeakPolarHBondContact O-CB 3.41Å; L540-Y543 PolarHBondContact O-N 2.96Å; L540-Y543 VanDerWaalsContact O-N 3.12Å; T541-Y543 VanDerWaalsContact C-N 3.31Å; T541-Y543 PolarHBondContact O-N 3.43Å; Y543-L545 VanDerWaalsContact C-N 3.25Å; Y543-L545 PolarHBondContact O-N 3.23Å; Y543-C546 VanDerWaalsContact O-CB 3.31Å; Y543-C546 WeakPolarHBondContact O-CB 3.18Å; Y543-C546 PolarHBondContact O-N 3.49Å; Y543-C546 VanDerWaalsContact O-N 3.09Å; Y543-Y547 HydrophobicContact CD1-CE1 4.27Å; Y543-Y547 HydrophobicContact CD1-CE2 4.43Å; Y543-Y547 HydrophobicContact CE1-CD1 4.39Å; Y543-Y547 AromaticContact CE1-CE1 3.66Å; Y543-Y547 HydrophobicContact CE1-CE1 3.66Å; Y543-Y547 HydrophobicContact CE1-CE2 4.18Å; Y543-Y547 AromaticContact CE1-CZ 3.55Å; Y543-Y547 PolarHBondContact O-N 3.3Å
544Y94.9Very high92.2Very high40 Ų4034.8 Ų34.816%0.15719%0.194CC..Hα-helixtrans-60.1-36.1174.3-79.8-72.2000112F71 L74 T75 V78 L540 T541 C546 Y547 L548F71-Y544 HydrophobicContact CD1-CD1 4.39Å; L74-Y544 HydrophobicContact CD2-CD1 3.78Å; L74-Y544 HydrophobicContact CD2-CD2 4.31Å; L74-Y544 HydrophobicContact CD2-CE1 3.61Å; L74-Y544 HydrophobicContact CD2-CE2 4.15Å; L74-Y544 HydrophobicContact CD2-CG 4.13Å; L74-Y544 HydrophobicContact CG-CE1 4.1Å; L74-Y544 HydrophobicContact CG-CE2 4.38Å; T75-Y544 VanDerWaalsContact CA-OH 3.27Å; T75-Y544 WeakPolarHBondContact CA-OH 3.4Å; T75-Y544 PolarHBondContact OG1-OH 3.27Å; V78-Y544 HydrophobicContact CG2-CE2 4.26Å; L540-Y544 VanDerWaalsContact O-CD2 3.24Å; L540-Y544 WeakPolarHBondContact O-CD2 3.49Å; L540-Y544 PolarHBondContact O-N 3.3Å; T541-Y544 PolarHBondContact O-N 3.39Å; Y544-C546 VanDerWaalsContact C-N 3.3Å; Y544-C546 PolarHBondContact O-N 3.45Å; Y544-Y547 PolarHBondContact O-N 3.33Å; Y544-Y547 VanDerWaalsContact O-N 3.14Å; Y544-L548 WeakPolarHBondContact O-CG 3.49Å; Y544-L548 PolarHBondContact O-N 3.38Å
545L95.1Very high92.3Very high53 Ų5338.3 Ų38.328%0.27721%0.209SC..Hα-helixtrans-59.5-39.3174.3-76.7168.1000112.1F516 P519 T541 S542 Y543 Y547 L548F516-L545 WeakPolarHBondContact CB-O 3.43Å; F516-L545 HydrophobicContact CD1-CD2 4.15Å; F516-L545 HydrophobicContact CE1-CD2 4.43Å; F516-L545 CarbonylContact O-C 3.27Å; P519-L545 HydrophobicContact CB-CD1 4.15Å; P519-L545 HydrophobicContact CG-CD1 4.22Å; T541-L545 WeakPolarHBondContact O-CG 3.18Å; T541-L545 PolarHBondContact O-N 2.9Å; S542-L545 WeakPolarHBondContact O-CB 3.32Å; S542-L545 PolarHBondContact O-N 3Å; Y543-L545 VanDerWaalsContact C-N 3.25Å; Y543-L545 PolarHBondContact O-N 3.23Å; L545-Y547 VanDerWaalsContact C-N 3.34Å; L545-Y547 PolarHBondContact O-N 3.33Å; L545-L548 HydrophobicContact CD2-CD1 4.16Å; L545-L548 PolarHBondContact O-N 2.87Å
546C95.1Very high92.2Very high5 Ų534.7 Ų34.73%0.03419%0.185CC..Hα-helixtrans-58-46173-68.90000111.7F516 W517 Y520 S542 Y543 Y544 L548 N549F516-C546 PolarHBondContact O-N 2.9Å; W517-C546 HydrophobicContact CD2-CB 4.31Å; W517-C546 HydrophobicContact CE3-CB 4.14Å; W517-C546 HydrophobicContact CZ3-CB 4.49Å; Y520-C546 WeakPolarHBondContact CB-SG 3.34Å; S542-C546 PolarHBondContact O-N 2.93Å; Y543-C546 VanDerWaalsContact O-CB 3.31Å; Y543-C546 WeakPolarHBondContact O-CB 3.18Å; Y543-C546 PolarHBondContact O-N 3.49Å; Y543-C546 VanDerWaalsContact O-N 3.09Å; Y544-C546 VanDerWaalsContact C-N 3.3Å; Y544-C546 PolarHBondContact O-N 3.45Å; C546-L548 VanDerWaalsContact C-N 3.33Å; C546-L548 PolarHBondContact O-N 2.86Å; C546-N549 WeakPolarHBondContact O-CB 3.2Å; C546-N549 PolarHBondContact O-N 3.32Å
547Y95.2Very high92.3Very high2 Ų230.6 Ų30.61%0.00816%0.163CC..Hα-helixtrans-66.5-32.8178.3-73.9-2.9000113.4I66 G70 F71 L74 D98 Y543 Y544 L545 N549 S550I66-Y547 HydrophobicContact CG2-CD1 3.79Å; I66-Y547 HydrophobicContact CG2-CD2 4.37Å; I66-Y547 HydrophobicContact CG2-CE1 4.05Å; I66-Y547 HydrophobicContact CG2-CG 3.95Å; G70-Y547 WeakPolarHBondContact O-CE2 3.46Å; F71-Y547 HydrophobicContact CD1-CD2 4.07Å; F71-Y547 HydrophobicContact CD2-CD2 4.41Å; F71-Y547 HydrophobicContact CE1-CD2 4.24Å; F71-Y547 HydrophobicContact CG-CD2 4.17Å; F71-Y547 HydrophobicContact CZ-CG 4.49Å; L74-Y547 HydrophobicContact CB-CE2 3.93Å; L74-Y547 HydrophobicContact CD2-CD2 3.83Å; L74-Y547 HydrophobicContact CD2-CE2 3.51Å; L74-Y547 HydrophobicContact CG-CE2 4.36Å; D98-Y547 WeakPolarHBondContact OD1-CE1 3.42Å; D98-Y547 PolarHBondContact OD1-OH 3.46Å; D98-Y547 PolarHBondContact OD2-OH 2.99Å; D98-Y547 VanDerWaalsContact OD2-OH 3.05Å; Y543-Y547 HydrophobicContact CD1-CE1 4.27Å; Y543-Y547 HydrophobicContact CD1-CE2 4.43Å; Y543-Y547 HydrophobicContact CE1-CD1 4.39Å; Y543-Y547 AromaticContact CE1-CE1 3.66Å; Y543-Y547 HydrophobicContact CE1-CE1 3.66Å; Y543-Y547 HydrophobicContact CE1-CE2 4.18Å; Y543-Y547 AromaticContact CE1-CZ 3.55Å; Y543-Y547 PolarHBondContact O-N 3.3Å; Y544-Y547 PolarHBondContact O-N 3.33Å; Y544-Y547 VanDerWaalsContact O-N 3.14Å; L545-Y547 VanDerWaalsContact C-N 3.34Å; L545-Y547 PolarHBondContact O-N 3.33Å; Y547-N549 PolarHBondContact O-N 3.03Å; Y547-N549 VanDerWaalsContact O-N 3.14Å; Y547-S550 WeakPolarHBondContact O-CB 2.91Å; Y547-S550 PolarHBondContact O-N 3.49Å; Y547-S550 PolarHBondContact O-OG 2.93Å
548L94.4Very high92.3Very high35 Ų3528.4 Ų28.418%0.18315%0.145CC..Hα-helixtrans-62-20.7176.2-71.5174.9000113F26 F516 Y544 L545 C546 S550 S551 F552F26-L548 HydrophobicContact CB-CD2 4.24Å; F26-L548 HydrophobicContact CD1-CD2 3.27Å; F26-L548 HydrophobicContact CD2-CD2 3.86Å; F26-L548 HydrophobicContact CE1-CD2 3.38Å; F26-L548 HydrophobicContact CE2-CD2 3.95Å; F26-L548 HydrophobicContact CG-CD2 3.53Å; F26-L548 HydrophobicContact CZ-CD2 3.72Å; F516-L548 HydrophobicContact CD1-CB 4.26Å; F516-L548 HydrophobicContact CE1-CB 4.27Å; Y544-L548 WeakPolarHBondContact O-CG 3.49Å; Y544-L548 PolarHBondContact O-N 3.38Å; L545-L548 HydrophobicContact CD2-CD1 4.16Å; L545-L548 PolarHBondContact O-N 2.87Å; C546-L548 VanDerWaalsContact C-N 3.33Å; C546-L548 PolarHBondContact O-N 2.86Å; L548-S550 PolarHBondContact O-N 3.05Å; L548-S551 PolarHBondContact O-N 2.84Å; L548-F552 PolarHBondContact O-N 3.24Å; L548-F552 VanDerWaalsContact O-N 3.09Å
549N93.6Very high92Very high1 Ų132.1 Ų32.11%0.00516%0.158CC..Hα-helixtrans-56.9-38.9169.3-176.167.3000111.9F513 F516 W517 C546 Y547 S551 F552 N553F513-N549 WeakPolarHBondContact CA-OD1 3.47Å; F516-N549 HydrophobicContact CB-CB 3.87Å; F516-N549 HydrophobicContact CD2-CB 4.23Å; F516-N549 HydrophobicContact CG-CB 4.32Å; W517-N549 PolarHBondContact NE1-ND2 3.12Å; W517-N549 VanDerWaalsContact NE1-ND2 3.17Å; C546-N549 WeakPolarHBondContact O-CB 3.2Å; C546-N549 PolarHBondContact O-N 3.32Å; Y547-N549 PolarHBondContact O-N 3.03Å; Y547-N549 VanDerWaalsContact O-N 3.14Å; N549-S551 VanDerWaalsContact C-N 3.33Å; N549-S551 PolarHBondContact O-N 3.01Å; N549-F552 PolarHBondContact O-N 3.39Å; N549-N553 PolarHBondContact O-N 3.25Å; N549-N553 PolarHBondContact O-ND2 2.9Å
550S94.2Very high91.4Very high1 Ų130.7 Ų30.71%0.00715%0.154CC..Hα-helixtrans-66.6-34.2178.7-54.30000112.2N34 D63 Y547 L548N34-S550 PolarHBondContact ND2-O 3.33Å; D63-S550 PolarHBondContact OD1-OG 3.4Å; Y547-S550 WeakPolarHBondContact O-CB 2.91Å; Y547-S550 PolarHBondContact O-N 3.49Å; Y547-S550 PolarHBondContact O-OG 2.93Å; L548-S550 PolarHBondContact O-N 3.05Å
551S93.3Very high91Very high5 Ų531 Ų314%0.03516%0.156CC..Hα-helixtrans-72.5-33175.6-40.30000112.1T30 L548 N549 P554 F555T30-S551 WeakPolarHBondContact OG1-CB 3.44Å; T30-S551 PolarHBondContact OG1-OG 3.35Å; L548-S551 PolarHBondContact O-N 2.84Å; N549-S551 VanDerWaalsContact C-N 3.33Å; N549-S551 PolarHBondContact O-N 3.01Å; S551-P554 WeakPolarHBondContact O-CD 3.22Å; S551-F555 WeakPolarHBondContact O-CD2 3.37Å; S551-F555 WeakPolarHBondContact O-CE2 3.47Å
552F92.6Very high90.6Very high72 Ų7234.3 Ų34.332%0.31616%0.16SC..Hα-helixtrans-75.3-27.1-174.5-171.7-102.7000114.1V508 A512 F516 L548 N549 F555 A556V508-F552 HydrophobicContact CG1-CE1 3.75Å; V508-F552 HydrophobicContact CG1-CZ 4.18Å; A512-F552 HydrophobicContact CB-CD1 3.48Å; A512-F552 VanDerWaalsContact CB-CD1 3.48Å; A512-F552 HydrophobicContact CB-CE1 3.5Å; A512-F552 VanDerWaalsContact CB-CE1 3.5Å; A512-F552 HydrophobicContact CB-CG 4.48Å; F516-F552 HydrophobicContact CE2-CB 3.92Å; F516-F552 HydrophobicContact CE2-CD1 4.31Å; F516-F552 HydrophobicContact CE2-CD2 4.27Å; F516-F552 AromaticContact CE2-CG 3.92Å; F516-F552 HydrophobicContact CE2-CG 3.92Å; L548-F552 PolarHBondContact O-N 3.24Å; L548-F552 VanDerWaalsContact O-N 3.09Å; N549-F552 PolarHBondContact O-N 3.39Å; F552-F555 WeakPolarHBondContact O-CB 3.45Å; F552-F555 PolarHBondContact O-N 2.66Å; F552-F555 VanDerWaalsContact O-N 3.1Å; F552-A556 HydrophobicContact CD1-CB 4.41Å; F552-A556 HydrophobicContact CE1-CB 4.2Å; F552-A556 PolarHBondContact O-N 2.91Å; F552-A556 VanDerWaalsContact O-N 3.14Å
553N88.7Confident90.2Very high1 Ų134.7 Ų34.71%0.00516%0.163CC..Hα-helixtrans-56.2-47.6-172.7-76.7-31.3000114.8L59 D63 N549 F555 A556 Y557L59-N553 WeakPolarHBondContact CD2-ND2 3.47Å; D63-N553 PolarHBondContact OD2-ND2 3.17Å; N549-N553 PolarHBondContact O-N 3.25Å; N549-N553 PolarHBondContact O-ND2 2.9Å; N553-F555 VanDerWaalsContact C-N 3.27Å; N553-F555 PolarHBondContact O-N 3.44Å; N553-A556 WeakPolarHBondContact O-CB 3.36Å; N553-A556 PolarHBondContact O-N 2.66Å; N553-A556 VanDerWaalsContact O-N 3.12Å; N553-Y557 HydrophobicContact CB-CE2 4.07Å; N553-Y557 WeakPolarHBondContact O-CD2 3.44Å; N553-Y557 PolarHBondContact O-N 3.27Å
554P91.3Very high90Very high8 Ų833.6 Ų33.65%0.05216%0.159CC..Hα-helixtrans-53.5-40.3174.7-28.736.3000113.7G33 V37 S551 Y557 A558G33-P554 WeakPolarHBondContact O-CG 3.48Å; V37-P554 HydrophobicContact CG2-CB 4.41Å; V37-P554 HydrophobicContact CG2-CG 4.37Å; S551-P554 WeakPolarHBondContact O-CD 3.22Å; P554-Y557 PolarHBondContact O-N 3.24Å; P554-A558 WeakPolarHBondContact O-CB 3.29Å; P554-A558 PolarHBondContact O-N 3.25Å
555F90.8Very high89.8Confident83 Ų8338.6 Ų38.636%0.36418%0.177SC..Hα-helixtrans-65.9-45.7176.9-60.3-81.6000111.3E29 S551 F552 N553 Y557 A558 F559E29-F555 HydrophobicContact CG-CE2 4.16Å; E29-F555 HydrophobicContact CG-CZ 4.25Å; E29-F555 WeakPolarHBondContact OE1-CE2 3.21Å; E29-F555 WeakPolarHBondContact OE1-CZ 3.37Å; S551-F555 WeakPolarHBondContact O-CD2 3.37Å; S551-F555 WeakPolarHBondContact O-CE2 3.47Å; F552-F555 WeakPolarHBondContact O-CB 3.45Å; F552-F555 PolarHBondContact O-N 2.66Å; F552-F555 VanDerWaalsContact O-N 3.1Å; N553-F555 VanDerWaalsContact C-N 3.27Å; N553-F555 PolarHBondContact O-N 3.44Å; F555-Y557 PolarHBondContact O-N 2.82Å; F555-A558 PolarHBondContact O-N 3.28Å; F555-A558 VanDerWaalsContact O-N 3.15Å; F555-F559 HydrophobicContact CB-CD2 4.13Å; F555-F559 HydrophobicContact CB-CE2 3.98Å; F555-F559 HydrophobicContact CD1-CE2 4.16Å; F555-F559 WeakPolarHBondContact O-CD2 3.15Å; F555-F559 PolarHBondContact O-N 2.9Å
556A88.4Confident89.6Confident2 Ų242.7 Ų42.72%0.01719%0.189CC..Hα-helixtrans-54.4-43.8175.600000111.3V508 I509 F552 N553 A560V508-A556 HydrophobicContact CG1-CB 3.74Å; I509-A556 HydrophobicContact CG1-CB 4.14Å; F552-A556 HydrophobicContact CD1-CB 4.41Å; F552-A556 HydrophobicContact CE1-CB 4.2Å; F552-A556 PolarHBondContact O-N 2.91Å; F552-A556 VanDerWaalsContact O-N 3.14Å; N553-A556 WeakPolarHBondContact O-CB 3.36Å; N553-A556 PolarHBondContact O-N 2.66Å; N553-A556 VanDerWaalsContact O-N 3.12Å; A556-A560 WeakPolarHBondContact O-CB 3.49Å; A556-A560 PolarHBondContact O-N 3.43Å
557Y88.3Confident89.4Confident0 Ų042.4 Ų42.40%019%0.187CC..Hα-helixtrans-69-42.3176.7-59.3-49.8000113.4V37 I56 L59 T505 I509 N553 P554 F555 F559 N561V37-Y557 HydrophobicContact CG1-CD2 4.48Å; V37-Y557 HydrophobicContact CG2-CD2 3.82Å; V37-Y557 HydrophobicContact CG2-CE2 4.33Å; I56-Y557 HydrophobicContact CD1-CE1 4.02Å; I56-Y557 HydrophobicContact CG1-CE1 4.02Å; I56-Y557 HydrophobicContact CG2-CD2 4.43Å; I56-Y557 HydrophobicContact CG2-CE1 3.95Å; I56-Y557 HydrophobicContact CG2-CE2 3.83Å; L59-Y557 WeakPolarHBondContact CD2-OH 3.18Å; T505-Y557 HydrophobicContact CG2-CD1 4.46Å; I509-Y557 HydrophobicContact CD1-CD1 4.4Å; I509-Y557 HydrophobicContact CD1-CE1 3.64Å; N553-Y557 HydrophobicContact CB-CE2 4.07Å; N553-Y557 WeakPolarHBondContact O-CD2 3.44Å; N553-Y557 PolarHBondContact O-N 3.27Å; P554-Y557 PolarHBondContact O-N 3.24Å; F555-Y557 PolarHBondContact O-N 2.82Å; Y557-F559 VanDerWaalsContact C-N 3.35Å; Y557-F559 PolarHBondContact O-N 3.49Å; Y557-N561 WeakPolarHBondContact O-CA 3.34Å; Y557-N561 WeakPolarHBondContact O-CB 3.35Å; Y557-N561 PolarHBondContact O-N 3.43Å
558A88Confident89.3Confident22 Ų2243 Ų4318%0.18219%0.19CC..Hα-helixtrans-61.1-41.8178.800000112.2P554 F555 R565 F568P554-A558 WeakPolarHBondContact O-CB 3.29Å; P554-A558 PolarHBondContact O-N 3.25Å; F555-A558 PolarHBondContact O-N 3.28Å; F555-A558 VanDerWaalsContact O-N 3.15Å; A558-R565 WeakPolarHBondContact O-CB 3.35Å; A558-R565 WeakPolarHBondContact O-CD 3.27Å; A558-F568 HydrophobicContact CB-CD2 3.76Å; A558-F568 HydrophobicContact CB-CE2 3.82Å
559F85.6Confident89.2Confident163 Ų16345.4 Ų45.472%0.71520%0.202SC*.Hα-helixtrans-82.5-39.4-177.4-67-60.5000112.7F555 Y557F555-F559 HydrophobicContact CB-CD2 4.13Å; F555-F559 HydrophobicContact CB-CE2 3.98Å; F555-F559 HydrophobicContact CD1-CE2 4.16Å; F555-F559 WeakPolarHBondContact O-CD2 3.15Å; F555-F559 PolarHBondContact O-N 2.9Å; Y557-F559 VanDerWaalsContact C-N 3.35Å; Y557-F559 PolarHBondContact O-N 3.49Å
560A79.2Confident89.1Confident16 Ų1647.7 Ų47.713%0.13221%0.211CC..Hα-helixtrans-95.2-30.8-171.100000113.9T505 A556T505-A560 VanDerWaalsContact CA-CB 3.48Å; T505-A560 HydrophobicContact CG2-CB 3.87Å; T505-A560 WeakPolarHBondContact OG1-CB 3.3Å; A556-A560 WeakPolarHBondContact O-CB 3.49Å; A556-A560 PolarHBondContact O-N 3.43Å
561N82Confident89Confident34 Ų3449 Ų4918%0.18222%0.219CC..  trans-108.3109.5-176.7-168.1-28.8000113.1Y557 A563 F564 R565Y557-N561 WeakPolarHBondContact O-CA 3.34Å; Y557-N561 WeakPolarHBondContact O-CB 3.35Å; Y557-N561 PolarHBondContact O-N 3.43Å; N561-A563 VanDerWaalsContact C-N 3.27Å; N561-A563 PolarHBondContact O-N 3.3Å; N561-A563 WeakPolarHBondContact OD1-CB 3.36Å; N561-A563 PolarHBondContact OD1-N 3.44Å; N561-F564 HydrophobicContact CB-CB 4.27Å; N561-F564 HydrophobicContact CB-CD2 3.94Å; N561-F564 WeakPolarHBondContact ND2-CD2 3.24Å; N561-F564 PolarHBondContact O-N 3.46Å; N561-R565 PolarHBondContact O-N 3.27Å
562R83.5Confident88.9Confident151 Ų15155 Ų5557%0.5725%0.25SS*.Hα-helixtrans-63.4-26.3180-67.4-164.7-178.2-171.4-7.3114.9R501 R566R501-R562 VanDerWaalsContact NH1-CD 3.26Å; R501-R562 VanDerWaalsContact NH1-CZ 3.28Å; R501-R562 VanDerWaalsContact NH1-NE 3.16Å; R501-R562 VanDerWaalsContact NH2-NH1 3.12Å; R562-R566 WeakPolarHBondContact O-CB 3.43Å; R562-R566 VanDerWaalsContact O-CG 3.28Å; R562-R566 WeakPolarHBondContact O-CG 3.3Å; R562-R566 PolarHBondContact O-N 3.05Å; R562-R566 VanDerWaalsContact O-N 3.14Å; R562-R566 PolarHBondContact O-NE 3.34Å
563A86.2Confident88.9Confident11 Ų1160 Ų609%0.09127%0.272CS..Hα-helixtrans-70.6-49.1177.100000109.5I47 N561 R566 A567I47-A563 HydrophobicContact CD1-CB 4.12Å; I47-A563 HydrophobicContact CG1-CB 3.63Å; N561-A563 VanDerWaalsContact C-N 3.27Å; N561-A563 PolarHBondContact O-N 3.3Å; N561-A563 WeakPolarHBondContact OD1-CB 3.36Å; N561-A563 PolarHBondContact OD1-N 3.44Å; A563-R566 PolarHBondContact O-N 2.82Å; A563-A567 PolarHBondContact O-N 3.39Å
564F89Confident89Confident1 Ų162.7 Ų62.70%0.00430%0.3CS..Hα-helixtrans-60-49172.8-80.5-74000111.9V37 A40 I47 I56 N561 R566 A567 F568V37-F564 HydrophobicContact CG1-CE1 3.9Å; V37-F564 HydrophobicContact CG1-CZ 4.37Å; A40-F564 HydrophobicContact CB-CD1 3.93Å; A40-F564 HydrophobicContact CB-CE1 4.21Å; I47-F564 HydrophobicContact CD1-CD1 3.74Å; I47-F564 HydrophobicContact CD1-CD2 4.2Å; I47-F564 HydrophobicContact CD1-CE1 3.88Å; I47-F564 HydrophobicContact CD1-CE2 4.32Å; I47-F564 HydrophobicContact CD1-CG 3.91Å; I47-F564 HydrophobicContact CD1-CZ 4.17Å; I47-F564 HydrophobicContact CG2-CE1 4.11Å; I47-F564 HydrophobicContact CG2-CE2 3.97Å; I47-F564 HydrophobicContact CG2-CZ 3.58Å; I56-F564 HydrophobicContact CD1-CE2 3.89Å; I56-F564 HydrophobicContact CD1-CZ 4.4Å; I56-F564 HydrophobicContact CG2-CE2 4.19Å; I56-F564 HydrophobicContact CG2-CZ 3.77Å; N561-F564 HydrophobicContact CB-CB 4.27Å; N561-F564 HydrophobicContact CB-CD2 3.94Å; N561-F564 WeakPolarHBondContact ND2-CD2 3.24Å; N561-F564 PolarHBondContact O-N 3.46Å; F564-R566 VanDerWaalsContact C-N 3.28Å; F564-R566 PolarHBondContact O-N 2.97Å; F564-A567 CarbonylContact O-C 3.38Å; F564-A567 WeakPolarHBondContact O-CA 3.22Å; F564-A567 WeakPolarHBondContact O-CB 3.29Å; F564-A567 PolarHBondContact O-N 3.21Å; F564-F568 HydrophobicContact CB-CE1 4.3Å; F564-F568 HydrophobicContact CB-CZ 4.29Å; F564-F568 AromaticContact CD1-CE1 3.79Å; F564-F568 HydrophobicContact CD1-CE1 3.79Å; F564-F568 HydrophobicContact CD1-CZ 4.1Å; F564-F568 WeakPolarHBondContact O-CB 3.37Å; F564-F568 WeakPolarHBondContact O-CD1 3.45Å; F564-F568 VanDerWaalsContact O-CG 3.31Å; F564-F568 WeakPolarHBondContact O-CG 3.4Å; F564-F568 PolarHBondContact O-N 3.2Å
565R90.8Very high88.9Confident144 Ų14464.8 Ų64.854%0.54331%0.31SS..Hα-helixtrans-52.7-44.5176.5-171.6174.8168.3172.4-0.5113.1A558 N561 L569A558-R565 WeakPolarHBondContact O-CB 3.35Å; A558-R565 WeakPolarHBondContact O-CD 3.27Å; N561-R565 PolarHBondContact O-N 3.27Å; R565-L569 HydrophobicContact CG-CD1 4.23Å; R565-L569 WeakPolarHBondContact O-CB 3.48Å; R565-L569 VanDerWaalsContact O-CG 3.28Å; R565-L569 WeakPolarHBondContact O-CG 3.13Å; R565-L569 PolarHBondContact O-N 2.99Å
566R91.2Very high88.8Confident139 Ų13965.9 Ų65.953%0.52532%0.319SS..Hα-helixtrans-66.6-41.7177.1-76-174.4-57.9147.19.7111.6R562 A563 F564 R570R562-R566 WeakPolarHBondContact O-CB 3.43Å; R562-R566 VanDerWaalsContact O-CG 3.28Å; R562-R566 WeakPolarHBondContact O-CG 3.3Å; R562-R566 PolarHBondContact O-N 3.05Å; R562-R566 VanDerWaalsContact O-N 3.14Å; R562-R566 PolarHBondContact O-NE 3.34Å; A563-R566 PolarHBondContact O-N 2.82Å; F564-R566 VanDerWaalsContact C-N 3.28Å; F564-R566 PolarHBondContact O-N 2.97Å; R566-R570 WeakPolarHBondContact O-CG 3.49Å; R566-R570 PolarHBondContact O-N 2.91Å; R566-R570 VanDerWaalsContact O-N 3.13Å
567A90.9Very high88.7Confident0 Ų074.6 Ų74.60%035%0.352CS..Hα-helixtrans-63.4-46.5176.800000111.3A40 E44 I47 A563 F564 L569 R570 V571A40-A567 HydrophobicContact CB-CB 3.58Å; E44-A567 HydrophobicContact CB-CB 4.16Å; I47-A567 HydrophobicContact CD1-CB 4.19Å; A563-A567 PolarHBondContact O-N 3.39Å; F564-A567 CarbonylContact O-C 3.38Å; F564-A567 WeakPolarHBondContact O-CA 3.22Å; F564-A567 WeakPolarHBondContact O-CB 3.29Å; F564-A567 PolarHBondContact O-N 3.21Å; A567-L569 PolarHBondContact O-N 3.18Å; A567-R570 WeakPolarHBondContact O-CB 3.33Å; A567-R570 PolarHBondContact O-N 3Å; A567-R570 VanDerWaalsContact O-N 3.08Å; A567-V571 WeakPolarHBondContact O-CG2 3.26Å; A567-V571 PolarHBondContact O-N 3.43Å
568F93Very high88.5Confident13 Ų1382.4 Ų82.46%0.05738%0.381CS..Hα-helixtrans-57.2-49.6176.7-68.92.2000111.3L36 V37 A40 A558 F564 R570 V571 L572L36-F568 HydrophobicContact CD1-CD1 4.08Å; L36-F568 HydrophobicContact CD2-CB 4.08Å; L36-F568 HydrophobicContact CD2-CD1 3.89Å; L36-F568 HydrophobicContact CD2-CD2 3.92Å; L36-F568 HydrophobicContact CD2-CE1 4.25Å; L36-F568 HydrophobicContact CD2-CE2 4.28Å; L36-F568 HydrophobicContact CD2-CG 3.72Å; L36-F568 HydrophobicContact CD2-CZ 4.43Å; L36-F568 HydrophobicContact CG-CD1 3.56Å; L36-F568 HydrophobicContact CG-CD2 4.45Å; L36-F568 HydrophobicContact CG-CE1 3.75Å; L36-F568 HydrophobicContact CG-CG 3.95Å; L36-F568 HydrophobicContact CG-CZ 4.28Å; V37-F568 HydrophobicContact CG2-CE1 4.39Å; V37-F568 HydrophobicContact CG2-CZ 3.81Å; A40-F568 HydrophobicContact CB-CD1 3.78Å; A40-F568 HydrophobicContact CB-CE1 3.65Å; A558-F568 HydrophobicContact CB-CD2 3.76Å; A558-F568 HydrophobicContact CB-CE2 3.82Å; F564-F568 HydrophobicContact CB-CE1 4.3Å; F564-F568 HydrophobicContact CB-CZ 4.29Å; F564-F568 AromaticContact CD1-CE1 3.79Å; F564-F568 HydrophobicContact CD1-CE1 3.79Å; F564-F568 HydrophobicContact CD1-CZ 4.1Å; F564-F568 WeakPolarHBondContact O-CB 3.37Å; F564-F568 WeakPolarHBondContact O-CD1 3.45Å; F564-F568 VanDerWaalsContact O-CG 3.31Å; F564-F568 WeakPolarHBondContact O-CG 3.4Å; F564-F568 PolarHBondContact O-N 3.2Å; F568-R570 PolarHBondContact O-N 3.33Å; F568-V571 PolarHBondContact O-N 3.07Å; F568-L572 WeakPolarHBondContact O-CB 2.99Å; F568-L572 VanDerWaalsContact O-CG 3.31Å; F568-L572 WeakPolarHBondContact O-CG 3.32Å; F568-L572 PolarHBondContact O-N 3.5Å
569L92.6Very high88.3Confident86 Ų8685.4 Ų85.445%0.4540%0.398SS..Hα-helixtrans-63.5-26.1177.8-71.1173.2000113.7R565 A567 K573R565-L569 HydrophobicContact CG-CD1 4.23Å; R565-L569 WeakPolarHBondContact O-CB 3.48Å; R565-L569 VanDerWaalsContact O-CG 3.28Å; R565-L569 WeakPolarHBondContact O-CG 3.13Å; R565-L569 PolarHBondContact O-N 2.99Å; A567-L569 PolarHBondContact O-N 3.18Å; L569-K573 WeakPolarHBondContact O-CB 3.35Å; L569-K573 WeakPolarHBondContact O-CD 3.49Å; L569-K573 WeakPolarHBondContact O-CG 3.45Å; L569-K573 PolarHBondContact O-N 3.44Å
570R92.5Very high88.4Confident49 Ų4981.6 Ų81.619%0.18538%0.382CS..Hα-helixtrans-76.2-45.7172.6-75.8-173.3-55.7-171-1.7111.5E44 R566 A567 F568 L572 K573 G574 D575 T579E44-R570 IonicContact OE2-CZ 3.71Å; E44-R570 IonicContact OE2-NH1 3.85Å; E44-R570 PolarHBondContact OE2-NH1 3.36Å; E44-R570 IonicContact OE2-NH2 2.76Å; E44-R570 PolarHBondContact OE2-NH2 2.84Å; R566-R570 WeakPolarHBondContact O-CG 3.49Å; R566-R570 PolarHBondContact O-N 2.91Å; R566-R570 VanDerWaalsContact O-N 3.13Å; A567-R570 WeakPolarHBondContact O-CB 3.33Å; A567-R570 PolarHBondContact O-N 3Å; A567-R570 VanDerWaalsContact O-N 3.08Å; F568-R570 PolarHBondContact O-N 3.33Å; R570-L572 VanDerWaalsContact C-N 3.33Å; R570-L572 PolarHBondContact O-N 3.47Å; R570-K573 CarbonylContact O-C 3.59Å; R570-K573 WeakPolarHBondContact O-CA 3.27Å; R570-K573 WeakPolarHBondContact O-CB 3.29Å; R570-K573 PolarHBondContact O-N 3.18Å; R570-G574 PolarHBondContact O-N 3.33Å; R570-D575 HydrophobicContact CB-CB 4.31Å; R570-D575 PolarHBondContact O-N 3.48Å; R570-T579 PolarHBondContact NH1-OG1 3.16Å; R570-T579 VanDerWaalsContact NH1-OG1 3.1Å
571V91.8Very high88.9Confident28 Ų2885 Ų8517%0.1740%0.395CS..Hα-helixtrans-59.6-45.9177.9174.30000110.4L36 V39 I43 A567 F568 K573 G574 L576L36-V571 HydrophobicContact CD1-CB 3.69Å; L36-V571 HydrophobicContact CD1-CG1 3.41Å; L36-V571 VanDerWaalsContact CD1-CG1 3.41Å; L36-V571 HydrophobicContact CD1-CG2 4.2Å; V39-V571 HydrophobicContact CG1-CG1 4.13Å; V39-V571 HydrophobicContact CG1-CG2 3.79Å; I43-V571 HydrophobicContact CD1-CG2 3.76Å; A567-V571 WeakPolarHBondContact O-CG2 3.26Å; A567-V571 PolarHBondContact O-N 3.43Å; F568-V571 PolarHBondContact O-N 3.07Å; V571-K573 PolarHBondContact O-N 3.28Å; V571-G574 PolarHBondContact O-N 3.36Å; V571-L576 HydrophobicContact CB-CD2 4.35Å; V571-L576 HydrophobicContact CG1-CD2 3.97Å; V571-L576 HydrophobicContact CG2-CD2 4.1Å
572L90.7Very high89.3Confident132 Ų13287.8 Ų87.869%0.69141%0.407SS*.THydrogen-bonded Turntrans-64.5-22175.5-68.8173.5000113.5F568 R570 G574F568-L572 WeakPolarHBondContact O-CB 2.99Å; F568-L572 VanDerWaalsContact O-CG 3.31Å; F568-L572 WeakPolarHBondContact O-CG 3.32Å; F568-L572 PolarHBondContact O-N 3.5Å; R570-L572 VanDerWaalsContact C-N 3.33Å; R570-L572 PolarHBondContact O-N 3.47Å; L572-G574 VanDerWaalsContact C-N 3.33Å
573K92.4Very high89.6Confident178 Ų17884.1 Ų84.177%0.77440%0.397SS*.THydrogen-bonded Turntrans-89.33.9172.3-73.7178.3-179.6-164.60113.1L569 R570 V571 D575L569-K573 WeakPolarHBondContact O-CB 3.35Å; L569-K573 WeakPolarHBondContact O-CD 3.49Å; L569-K573 WeakPolarHBondContact O-CG 3.45Å; L569-K573 PolarHBondContact O-N 3.44Å; R570-K573 CarbonylContact O-C 3.59Å; R570-K573 WeakPolarHBondContact O-CA 3.27Å; R570-K573 WeakPolarHBondContact O-CB 3.29Å; R570-K573 PolarHBondContact O-N 3.18Å; V571-K573 PolarHBondContact O-N 3.28Å; K573-D575 VanDerWaalsContact C-N 3.29Å; K573-D575 PolarHBondContact O-N 3.46Å
574G90.1Very high89.8Confident57 Ų5788.7 Ų88.759%0.58842%0.416SS*.THydrogen-bonded Turntrans77.14.7-17700000115.2R570 V571 L572 L576R570-G574 PolarHBondContact O-N 3.33Å; V571-G574 PolarHBondContact O-N 3.36Å; L572-G574 VanDerWaalsContact C-N 3.33Å; G574-L576 PolarHBondContact O-N 2.03Å; G574-L576 VanDerWaalsContact O-N 3.09Å
575D89.3Confident89.9Confident51 Ų5194.5 Ų94.527%0.27344%0.444SS..  trans-84.486.4177.6-170.415.2000110.5R570 K573 R577R570-D575 HydrophobicContact CB-CB 4.31Å; R570-D575 PolarHBondContact O-N 3.48Å; K573-D575 VanDerWaalsContact C-N 3.29Å; K573-D575 PolarHBondContact O-N 3.46Å; D575-R577 VanDerWaalsContact C-N 3.3Å; D575-R577 WeakPolarHBondContact OD1-CB 3.38Å; D575-R577 IonicContact OD1-CZ 2.99Å; D575-R577 PolarHBondContact OD1-N 3.09Å; D575-R577 IonicContact OD1-NE 2.95Å; D575-R577 PolarHBondContact OD1-NE 3.36Å; D575-R577 IonicContact OD1-NH2 2.85Å; D575-R577 PolarHBondContact OD1-NH2 2.82Å; D575-R577 IonicContact OD2-NH2 3.28Å
576L88.8Confident89.8Confident107 Ų10791 Ų9156%0.5644%0.436SS*.  trans-88.79.4178.9-61.4175.5000113.5V39 I43 V571 G574 R578V39-L576 HydrophobicContact CG1-CD2 4.14Å; I43-L576 HydrophobicContact CD1-CB 4.25Å; I43-L576 HydrophobicContact CD1-CD2 3.65Å; V571-L576 HydrophobicContact CB-CD2 4.35Å; V571-L576 HydrophobicContact CG1-CD2 3.97Å; V571-L576 HydrophobicContact CG2-CD2 4.1Å; G574-L576 PolarHBondContact O-N 2.03Å; G574-L576 VanDerWaalsContact O-N 3.09Å; L576-R578 PolarHBondContact O-N 2.87Å
577R86.4Confident89.7Confident184 Ų18487.3 Ų87.369%0.69443%0.43SS*.  trans-67.7125.2-178.8-71-179-69.8-154.5-1111.2I43 D575 T579I43-R577 WeakPolarHBondContact CG2-O 3.01Å; D575-R577 VanDerWaalsContact C-N 3.3Å; D575-R577 WeakPolarHBondContact OD1-CB 3.38Å; D575-R577 IonicContact OD1-CZ 2.99Å; D575-R577 PolarHBondContact OD1-N 3.09Å; D575-R577 IonicContact OD1-NE 2.95Å; D575-R577 PolarHBondContact OD1-NE 3.36Å; D575-R577 IonicContact OD1-NH2 2.85Å; D575-R577 PolarHBondContact OD1-NH2 2.82Å; D575-R577 IonicContact OD2-NH2 3.28Å; R577-T579 PolarHBondContact O-N 2.94Å
578R85.4Confident89.6Confident165 Ų16594.6 Ų94.662%0.62347%0.465SS*.  trans-63.4128.9177.8-161176-165.5-175.60.6110.3R42 R48 L576R42-R578 PolarHBondContact O-NE 2.93Å; R48-R578 VanDerWaalsContact CZ-NH2 3.33Å; L576-R578 PolarHBondContact O-N 2.87Å
579T82.3Confident89.3Confident85 Ų85102 Ų10252%0.52150%0.503SS..  trans-107.20175.847.60000112I43 R45 R570 R577I43-T579 PolarHBondContact O-N 3.02Å; I43-T579 PolarHBondContact O-OG1 3.17Å; I43-T579 VanDerWaalsContact O-OG1 3.12Å; R45-T579 WeakPolarHBondContact CB-O 3.04Å; R45-T579 WeakPolarHBondContact CB-OXT 3.4Å; R45-T579 PolarHBondContact N-O 3.01Å; R570-T579 PolarHBondContact NH1-OG1 3.16Å; R570-T579 VanDerWaalsContact NH1-OG1 3.1Å; R577-T579 PolarHBondContact O-N 2.94Å

Retrieved 579 of 579 residues in 373.8 ms (Link to these results)

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