A0A077YYC4_TRITR Loading...

XPG I and XPG N domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 464 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
1M79Confident91Very high109 Ų10950.3 Ų50.354%0.53726%0.256SS..  0169.90-69.1-177.6-79.100107.3I33 D199 S200M1-I33 HydrophobicContact CE-CB 4.12Å; M1-I33 HydrophobicContact CE-CG1 3.85Å; M1-I33 HydrophobicContact CE-CG2 3.95Å; M1-D199 WeakPolarHBondContact CB-OD2 3.21Å; M1-S200 PolarHBondContact O-N 2.93Å; M1-S200 PolarHBondContact O-OG 3.43Å
2G87.8Confident91Very high10 Ų1048.7 Ų48.710%0.10325%0.251CS..  trans82.3-155.6-174.900000115.1K4 D199 D201 D250G2-K4 PolarHBondContact O-N 3.25Å; G2-D199 WeakPolarHBondContact CA-OD1 3.32Å; G2-D199 PolarHBondContact N-OD1 3.25Å; G2-D201 WeakPolarHBondContact CA-OD1 3.36Å; G2-D250 PolarHBondContact N-OD1 3.04Å
3V92.7Very high91.1Very high6 Ų645.2 Ų45.24%0.03623%0.234CC..SBendtrans-50.8122.3-177.7-167.40000114.4G5 L6 S200 D201 L204 L243 A244 V247 G248 C249V3-G5 PolarHBondContact O-N 3.03Å; V3-L6 HydrophobicContact CB-CB 3.74Å; V3-L6 HydrophobicContact CB-CD2 3.72Å; V3-L6 HydrophobicContact CB-CG 4.35Å; V3-L6 HydrophobicContact CG1-CB 3.9Å; V3-L6 HydrophobicContact CG1-CD2 4.15Å; V3-L6 HydrophobicContact CG2-CD2 3.82Å; V3-L6 PolarHBondContact O-N 3.38Å; V3-S200 PolarHBondContact N-OG 2.65Å; V3-S200 PolarHBondContact O-OG 3.3Å; V3-D201 WeakPolarHBondContact CG2-OD1 3.35Å; V3-D201 PolarHBondContact N-OD1 3.08Å; V3-L204 HydrophobicContact CG2-CD1 3.65Å; V3-L204 HydrophobicContact CG2-CD2 4.29Å; V3-L204 HydrophobicContact CG2-CG 4.18Å; V3-L243 HydrophobicContact CG1-CD2 4.2Å; V3-A244 HydrophobicContact CG1-CB 4.18Å; V3-A244 HydrophobicContact CG2-CB 3.64Å; V3-V247 HydrophobicContact CG1-CB 4.41Å; V3-V247 HydrophobicContact CG1-CG1 4.38Å; V3-G248 WeakPolarHBondContact CA-O 3.48Å; V3-C249 HydrophobicContact CG2-CB 4.02Å
4K90.5Very high91.2Very high97 Ų9742.6 Ų42.642%0.42222%0.222SC..THydrogen-bonded Turntrans-59.4123.7-177-63.5172.5-177.2166.40111.4G2 L6 V247 G248 V253G2-K4 PolarHBondContact O-N 3.25Å; K4-L6 PolarHBondContact O-N 3.32Å; K4-L6 VanDerWaalsContact O-N 3.11Å; K4-V247 HydrophobicContact CB-CG1 3.99Å; K4-V247 WeakPolarHBondContact O-CG1 3.5Å; K4-G248 PolarHBondContact N-O 3.22Å; K4-V253 PolarHBondContact NZ-O 3.02Å
5G91.1Very high91.3Very high46 Ų4649.7 Ų49.747%0.47424%0.244SC..THydrogen-bonded Turntrans70.81174.500000116V3 W7 K8 F9V3-G5 PolarHBondContact O-N 3.03Å; G5-W7 PolarHBondContact O-N 3.4Å; G5-K8 PolarHBondContact O-N 3.24Å; G5-F9 PolarHBondContact O-N 3.41Å; G5-F9 VanDerWaalsContact O-N 3.1Å
6L94.1Very high91.4Very high1 Ų151.4 Ų51.41%0.00526%0.255CS..Hα-helixtrans-61.5-41.7-175.6-177.957.2000112.3V3 K4 K8 F9 L10 L243V3-L6 HydrophobicContact CB-CB 3.74Å; V3-L6 HydrophobicContact CB-CD2 3.72Å; V3-L6 HydrophobicContact CB-CG 4.35Å; V3-L6 HydrophobicContact CG1-CB 3.9Å; V3-L6 HydrophobicContact CG1-CD2 4.15Å; V3-L6 HydrophobicContact CG2-CD2 3.82Å; V3-L6 PolarHBondContact O-N 3.38Å; K4-L6 PolarHBondContact O-N 3.32Å; K4-L6 VanDerWaalsContact O-N 3.11Å; L6-K8 PolarHBondContact O-N 2.95Å; L6-F9 HydrophobicContact CD1-CD1 4.26Å; L6-F9 WeakPolarHBondContact O-CB 3.36Å; L6-F9 PolarHBondContact O-N 3.46Å; L6-F9 VanDerWaalsContact O-N 3.16Å; L6-L10 HydrophobicContact CD1-CD1 3.82Å; L6-L10 HydrophobicContact CD1-CD2 4.4Å; L6-L10 HydrophobicContact CD1-CG 3.85Å; L6-L10 HydrophobicContact CD2-CD1 4.45Å; L6-L10 HydrophobicContact CG-CD1 3.82Å; L6-L10 HydrophobicContact CG-CG 4.24Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.11Å; L6-L243 HydrophobicContact CD1-CD2 4.17Å
7W94Very high91.4Very high26 Ų2650.4 Ų50.410%0.09825%0.25CC..Hα-helixtrans-60.5-42.2176.8-72.5127.8000113.6G5 F9 L10 Q11 D198 D199 W203 V210 R212 F224G5-W7 PolarHBondContact O-N 3.4Å; W7-F9 VanDerWaalsContact C-N 3.29Å; W7-F9 PolarHBondContact O-N 2.77Å; W7-L10 PolarHBondContact O-N 3.48Å; W7-Q11 PolarHBondContact O-N 2.7Å; W7-D198 PolarHBondContact NE1-O 3.19Å; W7-D199 WeakPolarHBondContact CZ2-O 3.3Å; W7-W203 AromaticContact CH2-CE2 3.75Å; W7-W203 AromaticContact CH2-CZ2 3.92Å; W7-W203 HydrophobicContact CH2-CZ2 3.92Å; W7-W203 AromaticContact CH2-NE1 3.04Å; W7-W203 AromaticContact CZ2-NE1 3.91Å; W7-W203 AromaticContact CZ3-CE2 3.91Å; W7-W203 AromaticContact CZ3-CZ2 3.95Å; W7-W203 HydrophobicContact CZ3-CZ2 3.95Å; W7-W203 AromaticContact CZ3-NE1 3.23Å; W7-V210 HydrophobicContact CH2-CB 4.45Å; W7-V210 HydrophobicContact CH2-CG1 3.91Å; W7-V210 HydrophobicContact CZ2-CG1 4.46Å; W7-R212 VanDerWaalsContact CD1-CZ 3.49Å; W7-R212 VanDerWaalsContact CE3-CD 3.46Å; W7-R212 VanDerWaalsContact CH2-CD 3.42Å; W7-R212 HydrophobicContact CH2-CG 3.99Å; W7-R212 VanDerWaalsContact CZ2-CD 3.5Å; W7-R212 HydrophobicContact CZ2-CG 4.08Å; W7-R212 VanDerWaalsContact CZ3-CD 3.41Å; W7-R212 HydrophobicContact CZ3-CG 4.34Å; W7-F224 HydrophobicContact CE3-CD2 4.5Å; W7-F224 HydrophobicContact CE3-CE1 4.13Å; W7-F224 HydrophobicContact CE3-CE2 4.14Å; W7-F224 AromaticContact CE3-CZ 3.92Å; W7-F224 HydrophobicContact CE3-CZ 3.92Å; W7-F224 HydrophobicContact CZ3-CD1 4.1Å; W7-F224 AromaticContact CZ3-CD2 3.89Å; W7-F224 HydrophobicContact CZ3-CD2 3.89Å; W7-F224 HydrophobicContact CZ3-CE1 4.15Å; W7-F224 AromaticContact CZ3-CE2 3.98Å; W7-F224 HydrophobicContact CZ3-CE2 3.98Å; W7-F224 AromaticContact CZ3-CG 3.96Å; W7-F224 HydrophobicContact CZ3-CG 3.96Å; W7-F224 HydrophobicContact CZ3-CZ 4.08Å
8K92.8Very high91.4Very high182 Ų18253.7 Ų53.779%0.79126%0.263SS*.Hα-helixtrans-63.7-38.9176.4-67.5-177.5-179.8178.90111.1G5 L6G5-K8 PolarHBondContact O-N 3.24Å; L6-K8 PolarHBondContact O-N 2.95Å
9F93.2Very high91.3Very high22 Ų2250.9 Ų50.910%0.09625%0.249CC..Hα-helixtrans-66.1-41.5176.4176.4-103.6000112.3G5 L6 W7 P12 Y233 L235 A260 V261 T264 V417G5-F9 PolarHBondContact O-N 3.41Å; G5-F9 VanDerWaalsContact O-N 3.1Å; L6-F9 HydrophobicContact CD1-CD1 4.26Å; L6-F9 WeakPolarHBondContact O-CB 3.36Å; L6-F9 PolarHBondContact O-N 3.46Å; L6-F9 VanDerWaalsContact O-N 3.16Å; W7-F9 VanDerWaalsContact C-N 3.29Å; W7-F9 PolarHBondContact O-N 2.77Å; F9-P12 WeakPolarHBondContact O-CD 3.33Å; F9-Y233 HydrophobicContact CD1-CE1 4.44Å; F9-Y233 AromaticContact CE1-CD1 3.69Å; F9-Y233 HydrophobicContact CE1-CD1 3.69Å; F9-Y233 AromaticContact CE1-CE1 3.88Å; F9-Y233 HydrophobicContact CE1-CE1 3.88Å; F9-Y233 HydrophobicContact CE1-CG 4.21Å; F9-Y233 HydrophobicContact CE2-CD1 4.4Å; F9-Y233 HydrophobicContact CE2-CE1 4.26Å; F9-Y233 AromaticContact CZ-CD1 3.56Å; F9-Y233 HydrophobicContact CZ-CD1 3.56Å; F9-Y233 AromaticContact CZ-CE1 3.79Å; F9-Y233 HydrophobicContact CZ-CE1 3.79Å; F9-Y233 HydrophobicContact CZ-CG 4.43Å; F9-Y233 PolarHBondContact O-OH 3.08Å; F9-L235 HydrophobicContact CE1-CD1 3.85Å; F9-L235 HydrophobicContact CZ-CD1 4.46Å; F9-A260 HydrophobicContact CB-CB 3.8Å; F9-A260 HydrophobicContact CD1-CB 4.27Å; F9-A260 HydrophobicContact CD2-CB 3.93Å; F9-A260 HydrophobicContact CG-CB 3.74Å; F9-V261 HydrophobicContact CD2-CG2 4.1Å; F9-V261 HydrophobicContact CE2-CG2 4.18Å; F9-T264 HydrophobicContact CZ-CG2 4.49Å; F9-T264 WeakPolarHBondContact CZ-OG1 3.44Å; F9-V417 HydrophobicContact CE2-CG1 4.15Å; F9-V417 HydrophobicContact CE2-CG2 3.89Å; F9-V417 HydrophobicContact CZ-CG1 4.31Å
10L93.7Very high91.2Very high0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-81.4-9.7-178.5-65.4179.7000114.1L6 W7 P12 S13 F224 I229 Y233L6-L10 HydrophobicContact CD1-CD1 3.82Å; L6-L10 HydrophobicContact CD1-CD2 4.4Å; L6-L10 HydrophobicContact CD1-CG 3.85Å; L6-L10 HydrophobicContact CD2-CD1 4.45Å; L6-L10 HydrophobicContact CG-CD1 3.82Å; L6-L10 HydrophobicContact CG-CG 4.24Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.11Å; W7-L10 PolarHBondContact O-N 3.48Å; L10-P12 VanDerWaalsContact C-N 3.29Å; L10-P12 VanDerWaalsContact O-N 3.07Å; L10-S13 WeakPolarHBondContact O-CB 3.36Å; L10-S13 PolarHBondContact O-N 3.48Å; L10-S13 PolarHBondContact O-OG 3.01Å; L10-F224 HydrophobicContact CB-CD1 4.44Å; L10-F224 HydrophobicContact CB-CE1 4.05Å; L10-I229 HydrophobicContact CD1-CD1 3.95Å; L10-I229 HydrophobicContact CD2-CD1 4.48Å; L10-I229 HydrophobicContact CD2-CG1 4.24Å; L10-I229 HydrophobicContact CD2-CG2 3.8Å; L10-Y233 HydrophobicContact CD2-CD2 3.91Å; L10-Y233 HydrophobicContact CD2-CE2 3.72Å
11Q92.6Very high91.2Very high54 Ų5454.3 Ų54.325%0.25228%0.275SS..G310 helixtrans-45.9-41.6-175.6-168.270.621.900114.8W7 S13 S14 E222W7-Q11 PolarHBondContact O-N 2.7Å; Q11-S13 PolarHBondContact O-N 2.86Å; Q11-S13 VanDerWaalsContact O-N 3.1Å; Q11-S14 VanDerWaalsContact O-CB 3.26Å; Q11-S14 WeakPolarHBondContact O-CB 3.49Å; Q11-S14 PolarHBondContact O-N 2.9Å; Q11-S14 PolarHBondContact O-OG 3.01Å; Q11-E222 PolarHBondContact NE2-OE1 3.18Å; Q11-E222 VanDerWaalsContact NE2-OE1 3.12Å
12P90.9Very high91.7Very high31 Ų3149.2 Ų49.220%0.20125%0.25CC..G310 helixtrans-58.8-19.8175.3-25.233.3000115.7F9 L10 Y233 A411 L413F9-P12 WeakPolarHBondContact O-CD 3.33Å; L10-P12 VanDerWaalsContact C-N 3.29Å; L10-P12 VanDerWaalsContact O-N 3.07Å; P12-Y233 WeakPolarHBondContact CB-OH 3.42Å; P12-Y233 VanDerWaalsContact CD-OH 3.28Å; P12-Y233 WeakPolarHBondContact CD-OH 3.3Å; P12-Y233 WeakPolarHBondContact CG-OH 3.25Å; P12-A411 HydrophobicContact CG-CB 4.34Å; P12-L413 HydrophobicContact CB-CD2 4.23Å; P12-L413 HydrophobicContact CG-CD2 4.1Å
13S91.9Very high91.9Very high3 Ų351.7 Ų51.72%0.02126%0.258CS..G310 helixtrans-90.5-5.8176.167.60000114.1L10 Q11 I229L10-S13 WeakPolarHBondContact O-CB 3.36Å; L10-S13 PolarHBondContact O-N 3.48Å; L10-S13 PolarHBondContact O-OG 3.01Å; Q11-S13 PolarHBondContact O-N 2.86Å; Q11-S13 VanDerWaalsContact O-N 3.1Å; S13-I229 WeakPolarHBondContact OG-CG1 3.21Å
14S93.1Very high91.7Very high10 Ų1052.5 Ų52.57%0.0727%0.268CS..  trans-74.3151.7-179.775.80000111.8Q11 R223 F224Q11-S14 VanDerWaalsContact O-CB 3.26Å; Q11-S14 WeakPolarHBondContact O-CB 3.49Å; Q11-S14 PolarHBondContact O-N 2.9Å; Q11-S14 PolarHBondContact O-OG 3.01Å; S14-R223 CarbonylContact C-O 3.58Å; S14-F224 VanDerWaalsContact CB-CE1 3.47Å
15R92Very high91.8Very high148 Ų14848.7 Ų48.756%0.55825%0.253SS*.EExtended strand (participates in β ladder)trans-129.7128.4171.4-65.6-178.7179.5-179.2-1109.5I17 R223R15-I17 PolarHBondContact O-N 2.92Å; R15-R223 PolarHBondContact N-O 3.01Å; R15-R223 PolarHBondContact O-N 2.84Å
16L92.6Very high92Very high78 Ų7848.7 Ų48.741%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-79.1120.2172.3-70.2169.4000109.9V221 E222L16-V221 WeakPolarHBondContact CA-O 3.46Å; L16-E222 HydrophobicContact CD2-CG 3.56Å
17I91.1Very high92.1Very high33 Ų3348.6 Ų48.617%0.16924%0.24CC..EExtended strand (participates in β ladder)trans-116.3150.5176.161.9167.4000110.5R15 L22 Y211 T220 V221 R223R15-I17 PolarHBondContact O-N 2.92Å; I17-L22 HydrophobicContact CD1-CD1 4.46Å; I17-L22 HydrophobicContact CD1-CD2 3.77Å; I17-L22 HydrophobicContact CD1-CG 4.21Å; I17-Y211 HydrophobicContact CD1-CD1 3.84Å; I17-Y211 HydrophobicContact CD1-CE1 3.53Å; I17-T220 CarbonylContact O-C 3.46Å; I17-T220 VanDerWaalsContact O-CA 3.24Å; I17-T220 WeakPolarHBondContact O-CA 3.07Å; I17-V221 HydrophobicContact CD1-CB 4.47Å; I17-V221 HydrophobicContact CG1-CB 3.97Å; I17-V221 WeakPolarHBondContact CG1-O 3.35Å; I17-V221 PolarHBondContact N-O 3.32Å; I17-V221 PolarHBondContact O-N 3.09Å; I17-R223 HydrophobicContact CD1-CB 4.03Å; I17-R223 HydrophobicContact CG1-CB 4.21Å; I17-R223 HydrophobicContact CG2-CB 4.28Å
18K91.6Very high92.1Very high111 Ų11147.4 Ų47.448%0.48324%0.235SC..EExtended strand (participates in β ladder)trans-74.8144.8171.3-65.8-178.3-179177.40109.5D20 C21K18-D20 PolarHBondContact O-N 3.35Å; K18-C21 WeakPolarHBondContact O-CB 3.32Å; K18-C21 PolarHBondContact O-N 2.85Å; K18-C21 VanDerWaalsContact O-N 3.11Å
19L90.5Very high92.2Very high0 Ų038.7 Ų38.70%020%0.197CC..G310 helixtrans-58.4-33.1177.4-78.3163.1000113.1C21 L22 Y70 L214 K219 V221L19-C21 PolarHBondContact O-N 3.34Å; L19-L22 WeakPolarHBondContact O-CB 3.47Å; L19-L22 PolarHBondContact O-N 3.17Å; L19-Y70 HydrophobicContact CB-CD1 3.58Å; L19-Y70 HydrophobicContact CB-CD2 4.07Å; L19-Y70 HydrophobicContact CB-CE1 3.44Å; L19-Y70 VanDerWaalsContact CB-CE1 3.44Å; L19-Y70 HydrophobicContact CB-CE2 3.98Å; L19-Y70 HydrophobicContact CB-CG 3.9Å; L19-Y70 HydrophobicContact CD1-CD2 4.17Å; L19-Y70 HydrophobicContact CD1-CE1 4.29Å; L19-Y70 HydrophobicContact CD1-CE2 3.53Å; L19-Y70 HydrophobicContact CD2-CD2 4.4Å; L19-Y70 HydrophobicContact CG-CD2 4.47Å; L19-Y70 HydrophobicContact CG-CE1 4.47Å; L19-Y70 HydrophobicContact CG-CE2 4.24Å; L19-L214 HydrophobicContact CD2-CD1 4.33Å; L19-L214 HydrophobicContact CD2-CD2 4.16Å; L19-L214 HydrophobicContact CD2-CG 3.79Å; L19-K219 HydrophobicContact CD1-CB 4.45Å; L19-K219 PolarHBondContact N-O 3.46Å; L19-V221 HydrophobicContact CD2-CG2 3.18Å; L19-V221 HydrophobicContact CG-CG2 3.68Å
20D89.3Confident92.1Very high92 Ų9237.8 Ų37.849%0.49219%0.193SC..G310 helixtrans-61.4-24.4179-53.8-60.8000112.7K18 L22 E23 Y70K18-D20 PolarHBondContact O-N 3.35Å; D20-L22 PolarHBondContact O-N 2.67Å; D20-E23 PolarHBondContact O-N 3.39Å; D20-Y70 WeakPolarHBondContact OD1-CE1 3.39Å
21C90.1Very high91.7Very high81 Ų8137.9 Ų37.955%0.54719%0.194SC..G310 helixtrans-71.5-7.8176.4-58.70000113.5K18 L19K18-C21 WeakPolarHBondContact O-CB 3.32Å; K18-C21 PolarHBondContact O-N 2.85Å; K18-C21 VanDerWaalsContact O-N 3.11Å; L19-C21 PolarHBondContact O-N 3.34Å
22L91.3Very high90.9Very high3 Ų336.8 Ų36.82%0.01619%0.192CC..G310 helixtrans-95.65.4177.3-58179.2000112.5I17 L19 D20 G24 T25 L27 I72 Y211 L214 V221I17-L22 HydrophobicContact CD1-CD1 4.46Å; I17-L22 HydrophobicContact CD1-CD2 3.77Å; I17-L22 HydrophobicContact CD1-CG 4.21Å; L19-L22 WeakPolarHBondContact O-CB 3.47Å; L19-L22 PolarHBondContact O-N 3.17Å; D20-L22 PolarHBondContact O-N 2.67Å; L22-G24 PolarHBondContact O-N 3.31Å; L22-T25 WeakPolarHBondContact O-CB 3.31Å; L22-T25 PolarHBondContact O-N 3.12Å; L22-T25 PolarHBondContact O-OG1 3.41Å; L22-L27 HydrophobicContact CD1-CD1 4.29Å; L22-I72 HydrophobicContact CB-CD1 3.98Å; L22-I72 HydrophobicContact CB-CG1 3.85Å; L22-I72 HydrophobicContact CD1-CD1 4.03Å; L22-Y211 HydrophobicContact CD1-CD1 4.34Å; L22-Y211 HydrophobicContact CD2-CD1 4.13Å; L22-Y211 HydrophobicContact CD2-CE1 3.56Å; L22-L214 HydrophobicContact CD1-CD1 3.94Å; L22-V221 HydrophobicContact CD1-CG2 4.21Å
23E91.2Very high90.3Very high61 Ų6135.5 Ų35.529%0.28518%0.184SC..THydrogen-bonded Turntrans-55.3119.4178.5-176.8168.7138.200111D20 T25 Y70 R381 L385 K388D20-E23 PolarHBondContact O-N 3.39Å; E23-T25 VanDerWaalsContact C-N 3.28Å; E23-T25 PolarHBondContact O-N 3.02Å; E23-Y70 WeakPolarHBondContact CA-O 3.46Å; E23-R381 IonicContact OE2-CZ 3.53Å; E23-R381 IonicContact OE2-NH2 3.16Å; E23-R381 PolarHBondContact OE2-NH2 3.03Å; E23-L385 HydrophobicContact CG-CD1 4.46Å; E23-L385 HydrophobicContact CG-CD2 3.97Å; E23-L385 WeakPolarHBondContact OE1-CD2 3.43Å; E23-K388 IonicContact OE1-NZ 3.61Å; E23-K388 PolarHBondContact OE1-NZ 3.08Å
24G88.8Confident89.8Confident23 Ų2336 Ų3624%0.23719%0.185CC..THydrogen-bonded Turntrans80.9-3.7178.300000115.7L22 G71L22-G24 PolarHBondContact O-N 3.31Å; G24-G71 WeakPolarHBondContact CA-O 3.48Å; G24-G71 PolarHBondContact N-O 2.93Å
25T92.1Very high88.9Confident18 Ų1836.3 Ų36.311%0.1119%0.186CC..  trans-69.9136.2178.860.60000111.3L22 E23 R73 E193L22-T25 WeakPolarHBondContact O-CB 3.31Å; L22-T25 PolarHBondContact O-N 3.12Å; L22-T25 PolarHBondContact O-OG1 3.41Å; E23-T25 VanDerWaalsContact C-N 3.28Å; E23-T25 PolarHBondContact O-N 3.02Å; T25-R73 PolarHBondContact O-N 2.89Å; T25-E193 WeakPolarHBondContact CA-OE1 3.21Å
26K94.3Very high87.9Confident45 Ų4533.4 Ų33.420%0.19618%0.179CC..EExtended strand (participates in β ladder)trans-84.5115.9171.9-70.6-174.5-179.9-176.70109.1R73 I191 T192 E193 D343 W348K26-R73 WeakPolarHBondContact CA-O 3.46Å; K26-R73 HydrophobicContact CG-CB 4.16Å; K26-I191 WeakPolarHBondContact CD-O 3.45Å; K26-T192 WeakPolarHBondContact O-CA 3.37Å; K26-E193 PolarHBondContact N-OE1 3.49Å; K26-E193 PolarHBondContact O-N 3.29Å; K26-D343 IonicContact NZ-OD1 2.78Å; K26-D343 PolarHBondContact NZ-OD1 3.19Å; K26-D343 IonicContact NZ-OD2 3.47Å; K26-D343 PolarHBondContact NZ-OD2 2.94Å; K26-D343 VanDerWaalsContact NZ-OD2 3.11Å; K26-W348 HydrophobicContact CD-CH2 3.88Å; K26-W348 HydrophobicContact CG-CH2 4.07Å; K26-W348 HydrophobicContact CG-CZ2 4.33Å
27L96.5Very high87.1Confident0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-126.4135.5-177.7-61.8179.1000111.1L22 I72 R73 A74 I75 G194 I196 Y211L22-L27 HydrophobicContact CD1-CD1 4.29Å; L27-I72 HydrophobicContact CB-CG2 4.19Å; L27-I72 HydrophobicContact CD1-CG2 3.85Å; L27-I72 HydrophobicContact CG-CG2 4.19Å; L27-R73 PolarHBondContact N-O 3.38Å; L27-A74 CarbonylContact O-C 3.53Å; L27-A74 VanDerWaalsContact O-CA 3.25Å; L27-A74 WeakPolarHBondContact O-CA 3.4Å; L27-I75 PolarHBondContact O-N 3.16Å; L27-G194 WeakPolarHBondContact CA-O 3.49Å; L27-G194 WeakPolarHBondContact CD2-O 3.29Å; L27-I196 HydrophobicContact CB-CD1 3.82Å; L27-I196 HydrophobicContact CB-CG1 4.11Å; L27-I196 HydrophobicContact CD1-CD1 3.69Å; L27-I196 HydrophobicContact CD1-CG1 3.87Å; L27-I196 HydrophobicContact CG-CD1 4.41Å; L27-Y211 HydrophobicContact CD1-CD2 4.12Å; L27-Y211 HydrophobicContact CD1-CE2 4.25Å; L27-Y211 HydrophobicContact CD2-CD2 3.83Å; L27-Y211 HydrophobicContact CD2-CE2 3.41Å; L27-Y211 VanDerWaalsContact CD2-CE2 3.41Å
28S95.8Very high86.2Confident0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-76.9150.116749.50000109.9I75 G194 T195 I196S28-I75 CarbonylContact C-O 3.55Å; S28-I75 VanDerWaalsContact CA-O 3.27Å; S28-I75 WeakPolarHBondContact CA-O 3.26Å; S28-G194 PolarHBondContact N-O 2.94Å; S28-G194 PolarHBondContact OG-O 3.41Å; S28-T195 CarbonylContact O-C 3.58Å; S28-T195 WeakPolarHBondContact OG-CA 3.46Å; S28-T195 WeakPolarHBondContact OG-CB 3.26Å; S28-T195 WeakPolarHBondContact OG-CG2 3.3Å; S28-T195 PolarHBondContact OG-OG1 3.48Å; S28-I196 PolarHBondContact O-N 3.03Å
29V94.4Very high85.2Confident0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-131.8121179179.50000108.7L31 W34 A74 I75 F76 V77 I196V29-L31 PolarHBondContact O-N 2.9Å; V29-W34 HydrophobicContact CG1-CD2 4.41Å; V29-W34 HydrophobicContact CG1-CH2 3.82Å; V29-W34 HydrophobicContact CG1-CZ2 3.21Å; V29-A74 HydrophobicContact CG2-CB 3.91Å; V29-I75 PolarHBondContact N-O 2.85Å; V29-F76 HydrophobicContact CB-CD1 3.72Å; V29-F76 HydrophobicContact CB-CE1 3.98Å; V29-F76 HydrophobicContact CG1-CD1 3.8Å; V29-F76 HydrophobicContact CG1-CE1 3.84Å; V29-F76 HydrophobicContact CG2-CD1 4.29Å; V29-F76 HydrophobicContact CG2-CE1 4.13Å; V29-V77 PolarHBondContact O-N 3.26Å; V29-I196 HydrophobicContact CG2-CB 4.18Å; V29-I196 HydrophobicContact CG2-CD1 3.81Å; V29-I196 HydrophobicContact CG2-CG1 4.49Å
30D91Very high84.3Confident3 Ų330.2 Ų30.22%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-74.8114.7168.3-1761.9000110.2S32 I33 A179 I196D30-S32 VanDerWaalsContact OD1-CB 3.24Å; D30-S32 WeakPolarHBondContact OD1-CB 3.33Å; D30-S32 PolarHBondContact OD1-N 3.24Å; D30-S32 PolarHBondContact OD1-OG 3.39Å; D30-S32 PolarHBondContact OD2-OG 3.38Å; D30-I33 HydrophobicContact CB-CD1 4.37Å; D30-A179 WeakPolarHBondContact OD1-CB 3.32Å; D30-I196 PolarHBondContact N-O 3.22Å
31L85.1Confident83.4Confident1 Ų127.2 Ų27.21%0.00515%0.151CC..Hα-helixtrans-82.7-19.7177.7-78.1179.6000114.4V29 I33 W34 L35 F76 V77 F78 L162V29-L31 PolarHBondContact O-N 2.9Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 2.93Å; L31-W34 HydrophobicContact CD2-CB 4.49Å; L31-W34 HydrophobicContact CD2-CD2 4.18Å; L31-W34 HydrophobicContact CD2-CE3 3.85Å; L31-W34 HydrophobicContact CD2-CZ3 4.34Å; L31-W34 PolarHBondContact O-N 3.09Å; L31-W34 VanDerWaalsContact O-N 3.08Å; L31-L35 PolarHBondContact O-N 3.39Å; L31-F76 HydrophobicContact CD1-CB 3.62Å; L31-F76 HydrophobicContact CD1-CD1 3.93Å; L31-F76 HydrophobicContact CD1-CG 4.07Å; L31-F76 HydrophobicContact CD2-CD1 3.41Å; L31-F76 VanDerWaalsContact CD2-CD1 3.41Å; L31-F76 HydrophobicContact CD2-CE1 3.92Å; L31-F76 HydrophobicContact CD2-CG 4.34Å; L31-F76 HydrophobicContact CG-CB 4Å; L31-F76 HydrophobicContact CG-CD1 3.63Å; L31-F76 HydrophobicContact CG-CG 4.23Å; L31-V77 PolarHBondContact N-O 2.96Å; L31-F78 HydrophobicContact CB-CD1 4.34Å; L31-F78 HydrophobicContact CB-CE1 4.27Å; L31-F78 HydrophobicContact CD1-CD1 4.06Å; L31-F78 HydrophobicContact CD1-CD2 3.91Å; L31-F78 HydrophobicContact CD1-CE1 3.51Å; L31-F78 HydrophobicContact CD1-CE2 3.32Å; L31-F78 HydrophobicContact CD1-CG 4.26Å; L31-F78 HydrophobicContact CD1-CZ 3.14Å; L31-L162 HydrophobicContact CD1-CD1 3.47Å; L31-L162 VanDerWaalsContact CD1-CD1 3.47Å; L31-L162 HydrophobicContact CD2-CD1 4.38Å
32S76.1Confident82.5Confident31 Ų3126.8 Ų26.822%0.21714%0.138CC..Hα-helixtrans-57.2-44.7-177.774.90000110.5D30 W34 L35 H36 D79D30-S32 VanDerWaalsContact OD1-CB 3.24Å; D30-S32 WeakPolarHBondContact OD1-CB 3.33Å; D30-S32 PolarHBondContact OD1-N 3.24Å; D30-S32 PolarHBondContact OD1-OG 3.39Å; D30-S32 PolarHBondContact OD2-OG 3.38Å; S32-W34 VanDerWaalsContact C-N 3.33Å; S32-W34 PolarHBondContact O-N 3.15Å; S32-L35 PolarHBondContact O-N 3.02Å; S32-H36 PolarHBondContact O-N 2.91Å; S32-D79 WeakPolarHBondContact CB-OD2 3.26Å
33I77.9Confident81.4Confident5 Ų526.7 Ų26.73%0.02614%0.137CC..Hα-helixtrans-63.6-40.3177.8-53.7175.9000111M1 D30 L31 H36 Q37 T197 D199M1-I33 HydrophobicContact CE-CB 4.12Å; M1-I33 HydrophobicContact CE-CG1 3.85Å; M1-I33 HydrophobicContact CE-CG2 3.95Å; D30-I33 HydrophobicContact CB-CD1 4.37Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 2.93Å; I33-H36 PolarHBondContact O-N 3.36Å; I33-Q37 HydrophobicContact CG2-CG 4.45Å; I33-Q37 WeakPolarHBondContact O-CB 3.32Å; I33-Q37 VanDerWaalsContact O-CG 3.26Å; I33-Q37 WeakPolarHBondContact O-CG 3.08Å; I33-Q37 PolarHBondContact O-N 3.38Å; I33-T197 WeakPolarHBondContact CD1-OG1 3.49Å; I33-D199 HydrophobicContact CD1-CB 3.67Å
34W80.6Confident80.4Confident12 Ų1226.5 Ų26.55%0.04515%0.146CC..Hα-helixtrans-69.9-40.1-177.9-70.627.1000111.5V29 L31 S32 Q37 A38 L60 R63 L64 L67 F76 F215V29-W34 HydrophobicContact CG1-CD2 4.41Å; V29-W34 HydrophobicContact CG1-CH2 3.82Å; V29-W34 HydrophobicContact CG1-CZ2 3.21Å; L31-W34 HydrophobicContact CD2-CB 4.49Å; L31-W34 HydrophobicContact CD2-CD2 4.18Å; L31-W34 HydrophobicContact CD2-CE3 3.85Å; L31-W34 HydrophobicContact CD2-CZ3 4.34Å; L31-W34 PolarHBondContact O-N 3.09Å; L31-W34 VanDerWaalsContact O-N 3.08Å; S32-W34 VanDerWaalsContact C-N 3.33Å; S32-W34 PolarHBondContact O-N 3.15Å; W34-Q37 PolarHBondContact O-N 3.07Å; W34-A38 WeakPolarHBondContact O-CB 3.49Å; W34-A38 PolarHBondContact O-N 3.22Å; W34-L60 HydrophobicContact CB-CD2 3.93Å; W34-L60 HydrophobicContact CE3-CD2 4.06Å; W34-R63 HydrophobicContact CE3-CB 4.19Å; W34-R63 HydrophobicContact CH2-CB 3.98Å; W34-R63 HydrophobicContact CZ3-CB 3.62Å; W34-R63 HydrophobicContact CZ3-CG 4.45Å; W34-L64 HydrophobicContact CZ3-CD2 4.28Å; W34-L67 HydrophobicContact CH2-CD1 3.79Å; W34-F76 AromaticContact CH2-CE1 3.79Å; W34-F76 HydrophobicContact CH2-CE1 3.79Å; W34-F76 HydrophobicContact CH2-CZ 4.49Å; W34-F76 AromaticContact CZ3-CE1 3.85Å; W34-F76 HydrophobicContact CZ3-CE1 3.85Å; W34-F215 AromaticContact CE2-CE2 3.54Å; W34-F215 AromaticContact CH2-CE1 3.94Å; W34-F215 HydrophobicContact CH2-CE1 3.94Å; W34-F215 AromaticContact CH2-CE2 3.67Å; W34-F215 HydrophobicContact CH2-CE2 3.67Å; W34-F215 AromaticContact CH2-CZ 3.23Å; W34-F215 HydrophobicContact CH2-CZ 3.23Å; W34-F215 AromaticContact CZ2-CD2 3.94Å; W34-F215 HydrophobicContact CZ2-CD2 3.94Å; W34-F215 HydrophobicContact CZ2-CE1 4.11Å; W34-F215 AromaticContact CZ2-CE2 2.97Å; W34-F215 HydrophobicContact CZ2-CE2 2.97Å; W34-F215 AromaticContact CZ2-CZ 3.05Å; W34-F215 HydrophobicContact CZ2-CZ 3.05Å; W34-F215 HydrophobicContact CZ3-CZ 4.35Å; W34-F215 AromaticContact NE1-CE2 3.91Å
35L74.3Confident79.6Confident17 Ų1726 Ų269%0.08914%0.139CC..Hα-helixtrans-61.4-46.7173.8-81.2157.1000111.3L31 S32 Q37 A38 I39 F78 N154 L155 L158L31-L35 PolarHBondContact O-N 3.39Å; S32-L35 PolarHBondContact O-N 3.02Å; L35-Q37 PolarHBondContact O-N 3.06Å; L35-A38 PolarHBondContact O-N 2.63Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.46Å; L35-I39 PolarHBondContact O-N 3.27Å; L35-F78 HydrophobicContact CD1-CE1 4.38Å; L35-N154 HydrophobicContact CD2-CB 4.45Å; L35-L155 HydrophobicContact CD1-CD2 3.24Å; L35-L155 HydrophobicContact CD1-CG 3.97Å; L35-L155 HydrophobicContact CD2-CD2 4.3Å; L35-L155 HydrophobicContact CD2-CG 4.27Å; L35-L155 HydrophobicContact CG-CD2 4.39Å; L35-L158 HydrophobicContact CD1-CD1 4.21Å; L35-L158 HydrophobicContact CD2-CD1 3.32Å; L35-L158 HydrophobicContact CD2-CG 4.28Å; L35-L158 HydrophobicContact CG-CD1 3.57Å
36H70.9Confident78.5Confident88 Ų8828.1 Ų28.141%0.40716%0.159SC..Hα-helixtrans-59.7-47.8176.1-174.4-101000111.3S32 I33 A38 I39 H40S32-H36 PolarHBondContact O-N 2.91Å; I33-H36 PolarHBondContact O-N 3.36Å; H36-A38 VanDerWaalsContact C-N 3.3Å; H36-A38 PolarHBondContact O-N 3.05Å; H36-I39 PolarHBondContact O-N 3.08Å; H36-H40 AromaticContact CE1-CD2 3.22Å; H36-H40 PolarHBondContact CE1-CD2 3.27Å; H36-H40 AromaticContact CE1-NE2 3.03Å; H36-H40 PolarHBondContact CE1-NE2 3.24Å; H36-H40 AromaticContact ND1-CD2 3.5Å; H36-H40 AromaticContact ND1-NE2 3.81Å; H36-H40 AromaticContact NE2-CD2 3.55Å; H36-H40 AromaticContact NE2-NE2 3.14Å; H36-H40 PolarHBondContact NE2-NE2 3.38Å; H36-H40 VanDerWaalsContact NE2-NE2 3.14Å; H36-H40 PolarHBondContact O-CD2 2.75Å; H36-H40 VanDerWaalsContact O-CD2 3.26Å; H36-H40 PolarHBondContact O-N 3.39Å
37Q75.6Confident77.4Confident63 Ų6330.1 Ų30.129%0.29417%0.171SC..Hα-helixtrans-61.4-36.8175.8-73.3173-5.800112.9I33 W34 L35 H40 A41I33-Q37 HydrophobicContact CG2-CG 4.45Å; I33-Q37 WeakPolarHBondContact O-CB 3.32Å; I33-Q37 VanDerWaalsContact O-CG 3.26Å; I33-Q37 WeakPolarHBondContact O-CG 3.08Å; I33-Q37 PolarHBondContact O-N 3.38Å; W34-Q37 PolarHBondContact O-N 3.07Å; L35-Q37 PolarHBondContact O-N 3.06Å; Q37-H40 PolarHBondContact O-N 3.06Å; Q37-A41 WeakPolarHBondContact O-CB 3.07Å; Q37-A41 PolarHBondContact O-N 3.08Å
38A73.4Confident76.2Confident2 Ų234.3 Ų34.32%0.01720%0.2CC..Hα-helixtrans-68-41.1178.200000110.9W34 L35 H36 A41 R42 H56 L60W34-A38 WeakPolarHBondContact O-CB 3.49Å; W34-A38 PolarHBondContact O-N 3.22Å; L35-A38 PolarHBondContact O-N 2.63Å; H36-A38 VanDerWaalsContact C-N 3.3Å; H36-A38 PolarHBondContact O-N 3.05Å; A38-A41 PolarHBondContact O-N 3.45Å; A38-R42 PolarHBondContact O-N 2.92Å; A38-H56 HydrophobicContact CB-CB 3.81Å; A38-H56 WeakPolarHBondContact O-CB 3.41Å; A38-L60 HydrophobicContact CB-CD1 3.82Å; A38-L60 HydrophobicContact CB-CD2 4.39Å; A38-L60 HydrophobicContact CB-CG 4.13Å
39I70.2Confident74.9Confident16 Ų1637.4 Ų37.48%0.08223%0.232CC..Hα-helixtrans-61.1-49.4173.4-68.9161.5000110.5L35 H36 A41 R42 V43 T151L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.46Å; L35-I39 PolarHBondContact O-N 3.27Å; H36-I39 PolarHBondContact O-N 3.08Å; I39-A41 VanDerWaalsContact C-N 3.27Å; I39-A41 PolarHBondContact O-N 3.3Å; I39-R42 WeakPolarHBondContact O-CA 3.28Å; I39-R42 WeakPolarHBondContact O-CB 3.42Å; I39-R42 PolarHBondContact O-N 2.85Å; I39-V43 HydrophobicContact CG2-CG2 4.42Å; I39-V43 WeakPolarHBondContact O-CG2 3.38Å; I39-V43 PolarHBondContact O-N 3.25Å; I39-T151 HydrophobicContact CD1-CG2 3.44Å; I39-T151 VanDerWaalsContact CD1-CG2 3.44Å
40H71.3Confident73.5Confident74 Ų7439.7 Ų39.734%0.34325%0.248SC..Hα-helixtrans-55.8-41.7175.5-86.7-78.4000112.6H36 Q37 R42 V43 A44H36-H40 AromaticContact CE1-CD2 3.22Å; H36-H40 PolarHBondContact CE1-CD2 3.27Å; H36-H40 AromaticContact CE1-NE2 3.03Å; H36-H40 PolarHBondContact CE1-NE2 3.24Å; H36-H40 AromaticContact ND1-CD2 3.5Å; H36-H40 AromaticContact ND1-NE2 3.81Å; H36-H40 AromaticContact NE2-CD2 3.55Å; H36-H40 AromaticContact NE2-NE2 3.14Å; H36-H40 PolarHBondContact NE2-NE2 3.38Å; H36-H40 VanDerWaalsContact NE2-NE2 3.14Å; H36-H40 PolarHBondContact O-CD2 2.75Å; H36-H40 VanDerWaalsContact O-CD2 3.26Å; H36-H40 PolarHBondContact O-N 3.39Å; Q37-H40 PolarHBondContact O-N 3.06Å; H40-R42 PolarHBondContact O-N 3.47Å; H40-V43 PolarHBondContact O-N 3.15Å; H40-A44 WeakPolarHBondContact O-CB 3.35Å; H40-A44 PolarHBondContact O-N 3.45Å
41A71.7Confident72Confident28 Ų2847.4 Ų47.423%0.23129%0.289CS..Hα-helixtrans-64.4-37.8176.100000112.7Q37 A38 I39 A45 L59Q37-A41 WeakPolarHBondContact O-CB 3.07Å; Q37-A41 PolarHBondContact O-N 3.08Å; A38-A41 PolarHBondContact O-N 3.45Å; I39-A41 VanDerWaalsContact C-N 3.27Å; I39-A41 PolarHBondContact O-N 3.3Å; A41-A45 VanDerWaalsContact O-CB 3.29Å; A41-A45 WeakPolarHBondContact O-CB 3.48Å; A41-A45 PolarHBondContact O-N 3.5Å; A41-L59 HydrophobicContact CB-CD2 4.41Å
42R69.7Low71Confident72 Ų7251.7 Ų51.727%0.27231%0.31SS..Hα-helixtrans-65.1-43.9174.5175.8-176.2167.4112.29.4111.5A38 I39 H40 A45 A46 H56 E147A38-R42 PolarHBondContact O-N 2.92Å; I39-R42 WeakPolarHBondContact O-CA 3.28Å; I39-R42 WeakPolarHBondContact O-CB 3.42Å; I39-R42 PolarHBondContact O-N 2.85Å; H40-R42 PolarHBondContact O-N 3.47Å; R42-A45 WeakPolarHBondContact O-CB 3.49Å; R42-A45 PolarHBondContact O-N 2.91Å; R42-A46 PolarHBondContact O-N 3.28Å; R42-H56 HydrophobicContact CB-CB 4.06Å; R42-H56 PolarHBondContact NH1-CE1 3.03Å; R42-H56 VanDerWaalsContact NH1-CE1 3.29Å; R42-E147 WeakPolarHBondContact CD-OE1 3.41Å; R42-E147 IonicContact CZ-OE1 2.78Å; R42-E147 IonicContact NE-OE1 2.73Å; R42-E147 PolarHBondContact NE-OE1 2.81Å; R42-E147 IonicContact NE-OE2 3.55Å; R42-E147 IonicContact NH2-OE1 3.58Å
43V68Low70.1Confident2 Ų254.8 Ų54.81%0.01233%0.329CS..Hα-helixtrans-62.1-46.2177.31730000110.6I39 H40 A45 A46 I47 V140 L143I39-V43 HydrophobicContact CG2-CG2 4.42Å; I39-V43 WeakPolarHBondContact O-CG2 3.38Å; I39-V43 PolarHBondContact O-N 3.25Å; H40-V43 PolarHBondContact O-N 3.15Å; V43-A45 VanDerWaalsContact C-N 3.32Å; V43-A45 PolarHBondContact O-N 3.18Å; V43-A46 PolarHBondContact O-N 3Å; V43-I47 HydrophobicContact CG1-CD1 3.83Å; V43-I47 WeakPolarHBondContact O-CG1 3.48Å; V43-I47 PolarHBondContact O-N 3.35Å; V43-V140 HydrophobicContact CG1-CB 4.34Å; V43-V140 HydrophobicContact CG1-CG1 3.99Å; V43-L143 HydrophobicContact CB-CB 4.43Å; V43-L143 HydrophobicContact CG1-CB 3.83Å; V43-L143 HydrophobicContact CG1-CD1 3.87Å; V43-L143 HydrophobicContact CG1-CG 4.5Å; V43-L143 HydrophobicContact CG2-CB 3.82Å
44A71.7Confident70Confident56 Ų5659.2 Ų59.246%0.46335%0.345SS..Hα-helixtrans-61.9-38.7175.700000112.8H40 I47 S48H40-A44 WeakPolarHBondContact O-CB 3.35Å; H40-A44 PolarHBondContact O-N 3.45Å; A44-I47 PolarHBondContact O-N 3.31Å; A44-S48 WeakPolarHBondContact O-CB 3.24Å; A44-S48 PolarHBondContact O-N 3.06Å; A44-S48 PolarHBondContact O-OG 3.25Å
45A71Confident69.7Low12 Ų1260.5 Ų60.510%0.09935%0.354CS..Hα-helixtrans-64.2-41.6175.400000112.1A41 R42 V43 S48 G49 S50 V55A41-A45 VanDerWaalsContact O-CB 3.29Å; A41-A45 WeakPolarHBondContact O-CB 3.48Å; A41-A45 PolarHBondContact O-N 3.5Å; R42-A45 WeakPolarHBondContact O-CB 3.49Å; R42-A45 PolarHBondContact O-N 2.91Å; V43-A45 VanDerWaalsContact C-N 3.32Å; V43-A45 PolarHBondContact O-N 3.18Å; A45-S48 WeakPolarHBondContact CA-OG 3.35Å; A45-S48 PolarHBondContact O-N 2.79Å; A45-S48 PolarHBondContact O-OG 2.82Å; A45-S48 VanDerWaalsContact O-OG 3.08Å; A45-G49 PolarHBondContact O-N 3.49Å; A45-S50 VanDerWaalsContact C-OG 3.27Å; A45-S50 WeakPolarHBondContact CA-OG 3.48Å; A45-S50 VanDerWaalsContact CB-OG 3.22Å; A45-S50 WeakPolarHBondContact CB-OG 3.43Å; A45-S50 PolarHBondContact O-N 3Å; A45-S50 VanDerWaalsContact O-N 3.08Å; A45-S50 PolarHBondContact O-OG 2.94Å; A45-V55 HydrophobicContact CB-CB 4.41Å; A45-V55 HydrophobicContact CB-CG2 3.95Å
46A69.4Low69.6Low64 Ų6459.8 Ų59.853%0.52935%0.351SS..Hα-helixtrans-65.4-41.7176.900000111.9R42 V43 G49R42-A46 PolarHBondContact O-N 3.28Å; V43-A46 PolarHBondContact O-N 3Å; A46-G49 PolarHBondContact O-N 3.47Å
47I70.2Confident70Confident86 Ų8655.7 Ų55.744%0.44133%0.332SS..Hα-helixtrans-68.4-37.5179-67.5166.7000111.9V43 A44 G49 V140 L143V43-I47 HydrophobicContact CG1-CD1 3.83Å; V43-I47 WeakPolarHBondContact O-CG1 3.48Å; V43-I47 PolarHBondContact O-N 3.35Å; A44-I47 PolarHBondContact O-N 3.31Å; I47-G49 PolarHBondContact O-N 3.14Å; I47-V140 HydrophobicContact CD1-CB 4.34Å; I47-V140 HydrophobicContact CD1-CG2 3.46Å; I47-V140 VanDerWaalsContact CD1-CG2 3.46Å; I47-L143 HydrophobicContact CD1-CD1 4.32Å; I47-L143 HydrophobicContact CG1-CD1 4.06Å
48S72.6Confident70.4Confident88 Ų8853.8 Ų53.862%0.61532%0.323SS*.THydrogen-bonded Turntrans-75.7-0.6178.852.60000113.9A44 A45 S50A44-S48 WeakPolarHBondContact O-CB 3.24Å; A44-S48 PolarHBondContact O-N 3.06Å; A44-S48 PolarHBondContact O-OG 3.25Å; A45-S48 WeakPolarHBondContact CA-OG 3.35Å; A45-S48 PolarHBondContact O-N 2.79Å; A45-S48 PolarHBondContact O-OG 2.82Å; A45-S48 VanDerWaalsContact O-OG 3.08Å; S48-S50 PolarHBondContact O-N 2.95Å
49G68.5Low70.9Confident65 Ų6556.3 Ų56.367%0.6734%0.336SS*.THydrogen-bonded Turntrans6717.5-176.800000113.1A45 A46 I47 D51A45-G49 PolarHBondContact O-N 3.49Å; A46-G49 PolarHBondContact O-N 3.47Å; I47-G49 PolarHBondContact O-N 3.14Å; G49-D51 PolarHBondContact O-N 2.76Å
50S64.5Low71.5Confident49 Ų4955.7 Ų55.734%0.34333%0.332SS..  trans-69124.5177.466.50000109.4A45 S48 E52A45-S50 VanDerWaalsContact C-OG 3.27Å; A45-S50 WeakPolarHBondContact CA-OG 3.48Å; A45-S50 VanDerWaalsContact CB-OG 3.22Å; A45-S50 WeakPolarHBondContact CB-OG 3.43Å; A45-S50 PolarHBondContact O-N 3Å; A45-S50 VanDerWaalsContact O-N 3.08Å; A45-S50 PolarHBondContact O-OG 2.94Å; S48-S50 PolarHBondContact O-N 2.95Å; S50-E52 PolarHBondContact O-N 2.86Å
51D58.7Low72.3Confident164 Ų16452.1 Ų52.188%0.87732%0.316SS*.SBendtrans-78.526.7-176.4-150.817000112.2G49 P53G49-D51 PolarHBondContact O-N 2.76Å; D51-P53 VanDerWaalsContact C-CD 3.45Å; D51-P53 WeakPolarHBondContact O-CD 3.36Å
52E65.2Low73.2Confident92 Ų9254.1 Ų54.143%0.4332%0.32SS..  trans-106.182-177.2-161.5155.3-149.200108.8S50 R54 V55 Q58S50-E52 PolarHBondContact O-N 2.86Å; E52-R54 PolarHBondContact O-N 3.48Å; E52-V55 HydrophobicContact CB-CG2 3.81Å; E52-V55 HydrophobicContact CG-CG2 3.89Å; E52-V55 WeakPolarHBondContact O-CG2 3.31Å; E52-V55 PolarHBondContact O-N 3.12Å; E52-Q58 PolarHBondContact OE1-NE2 3.45Å; E52-Q58 PolarHBondContact OE1-OE1 3.31Å
53P58Low74.2Confident95 Ų9551.9 Ų51.962%0.61731%0.312SS*.THydrogen-bonded Turntrans-64-1.8-164.523.2-35.8000114.8D51D51-P53 VanDerWaalsContact C-CD 3.45Å; D51-P53 WeakPolarHBondContact O-CD 3.36Å
54R74.2Confident75.2Confident99 Ų9951.9 Ų51.937%0.37431%0.312SS..THydrogen-bonded Turntrans-143.325.4-166.5-60.9174.2-173.6-178.65.8114.3E52 H56 L57 Q58 T362 W363E52-R54 PolarHBondContact O-N 3.48Å; R54-H56 PolarHBondContact O-N 3.32Å; R54-H56 VanDerWaalsContact O-N 3.1Å; R54-L57 HydrophobicContact CB-CD1 4.45Å; R54-L57 PolarHBondContact O-N 2.91Å; R54-Q58 PolarHBondContact O-N 2.84Å; R54-T362 PolarHBondContact NH1-O 2.94Å; R54-W363 WeakPolarHBondContact CD-O 3.5Å; R54-W363 VanDerWaalsContact NH1-C 3.3Å; R54-W363 VanDerWaalsContact NH1-CA 3.25Å; R54-W363 PolarHBondContact NH1-O 3.16Å
55V75.2Confident76.2Confident39 Ų3949.8 Ų49.824%0.23629%0.293CS..Hα-helixtrans-45.8-42.6174.3177.60000112A45 E52 L57 Q58 L59A45-V55 HydrophobicContact CB-CB 4.41Å; A45-V55 HydrophobicContact CB-CG2 3.95Å; E52-V55 HydrophobicContact CB-CG2 3.81Å; E52-V55 HydrophobicContact CG-CG2 3.89Å; E52-V55 WeakPolarHBondContact O-CG2 3.31Å; E52-V55 PolarHBondContact O-N 3.12Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 2.77Å; V55-Q58 PolarHBondContact O-N 3.44Å; V55-L59 WeakPolarHBondContact O-CB 3.02Å; V55-L59 PolarHBondContact O-N 2.95Å
56H72.6Confident77.2Confident2 Ų251.3 Ų51.31%0.00930%0.297CS..Hα-helixtrans-55.6-42.7177.964.4-77.3000113.9A38 R42 R54 L60 N154A38-H56 HydrophobicContact CB-CB 3.81Å; A38-H56 WeakPolarHBondContact O-CB 3.41Å; R42-H56 HydrophobicContact CB-CB 4.06Å; R42-H56 PolarHBondContact NH1-CE1 3.03Å; R42-H56 VanDerWaalsContact NH1-CE1 3.29Å; R54-H56 PolarHBondContact O-N 3.32Å; R54-H56 VanDerWaalsContact O-N 3.1Å; H56-L60 VanDerWaalsContact O-CD1 3.23Å; H56-L60 WeakPolarHBondContact O-CD1 3.28Å; H56-L60 VanDerWaalsContact O-CG 3.26Å; H56-L60 WeakPolarHBondContact O-CG 3.24Å; H56-L60 PolarHBondContact O-N 3.19Å; H56-N154 PolarHBondContact NE2-OD1 3.49Å
57L79.4Confident78.3Confident2 Ų248.2 Ų48.21%0.0127%0.272CS..Hα-helixtrans-73.8-37.2177.6-65.1178.8000111.6R54 V55 L59 L60 F61 R157 W363 F364R54-L57 HydrophobicContact CB-CD1 4.45Å; R54-L57 PolarHBondContact O-N 2.91Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 2.77Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L60 HydrophobicContact CD2-CD1 4.44Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-F61 WeakPolarHBondContact O-CB 3.42Å; L57-F61 PolarHBondContact O-N 2.81Å; L57-R157 HydrophobicContact CD2-CB 4.31Å; L57-W363 HydrophobicContact CD1-CB 4.41Å; L57-W363 HydrophobicContact CD1-CD2 4.35Å; L57-W363 HydrophobicContact CD1-CE3 4.23Å; L57-W363 HydrophobicContact CD1-CG 4.42Å; L57-F364 HydrophobicContact CB-CE1 3.56Å; L57-F364 HydrophobicContact CB-CZ 4.31Å
58Q83.4Confident79.3Confident23 Ų2345.1 Ų45.111%0.10726%0.256CS..Hα-helixtrans-63.3-41174.5-67.1-175.411.300111.2E52 R54 V55 L60 F61 H62 F364 W366E52-Q58 PolarHBondContact OE1-NE2 3.45Å; E52-Q58 PolarHBondContact OE1-OE1 3.31Å; R54-Q58 PolarHBondContact O-N 2.84Å; V55-Q58 PolarHBondContact O-N 3.44Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.33Å; Q58-F61 WeakPolarHBondContact O-CB 3.49Å; Q58-F61 PolarHBondContact O-N 3.27Å; Q58-H62 PolarHBondContact O-N 3.32Å; Q58-H62 PolarHBondContact O-ND1 3.45Å; Q58-F364 HydrophobicContact CB-CE1 4.28Å; Q58-F364 HydrophobicContact CG-CD1 3.48Å; Q58-F364 VanDerWaalsContact CG-CD1 3.48Å; Q58-F364 HydrophobicContact CG-CD2 4.4Å; Q58-F364 HydrophobicContact CG-CE1 3.64Å; Q58-F364 HydrophobicContact CG-CG 3.91Å; Q58-F364 HydrophobicContact CG-CZ 4.18Å; Q58-W366 HydrophobicContact CG-CZ2 4.2Å
59L83.5Confident80.2Confident55 Ų5544.9 Ų44.929%0.28824%0.244SC..Hα-helixtrans-56.9-48.5175.4178.665.5000110.7A41 V55 L57 H62 R63A41-L59 HydrophobicContact CB-CD2 4.41Å; V55-L59 WeakPolarHBondContact O-CB 3.02Å; V55-L59 PolarHBondContact O-N 2.95Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L59-H62 PolarHBondContact O-N 2.76Å; L59-R63 VanDerWaalsContact O-CG 3.32Å; L59-R63 WeakPolarHBondContact O-CG 3.5Å; L59-R63 PolarHBondContact O-N 2.78Å; L59-R63 VanDerWaalsContact O-N 3.08Å
60L84Confident81.3Confident2 Ų242.9 Ų42.91%0.0122%0.216CC..Hα-helixtrans-62.7-44.2179.2-66157.1000111.2W34 A38 H56 L57 Q58 H62 R63 L64 L158 M161W34-L60 HydrophobicContact CB-CD2 3.93Å; W34-L60 HydrophobicContact CE3-CD2 4.06Å; A38-L60 HydrophobicContact CB-CD1 3.82Å; A38-L60 HydrophobicContact CB-CD2 4.39Å; A38-L60 HydrophobicContact CB-CG 4.13Å; H56-L60 VanDerWaalsContact O-CD1 3.23Å; H56-L60 WeakPolarHBondContact O-CD1 3.28Å; H56-L60 VanDerWaalsContact O-CG 3.26Å; H56-L60 WeakPolarHBondContact O-CG 3.24Å; H56-L60 PolarHBondContact O-N 3.19Å; L57-L60 HydrophobicContact CD2-CD1 4.44Å; L57-L60 PolarHBondContact O-N 3.43Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.33Å; L60-H62 PolarHBondContact O-N 3.11Å; L60-R63 WeakPolarHBondContact O-CB 3.49Å; L60-R63 PolarHBondContact O-N 2.88Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 3.16Å; L60-L64 VanDerWaalsContact O-N 3.1Å; L60-L158 HydrophobicContact CB-CD2 3.77Å; L60-L158 HydrophobicContact CD1-CD1 3.79Å; L60-L158 HydrophobicContact CD1-CD2 3.55Å; L60-L158 HydrophobicContact CD1-CG 3.75Å; L60-L158 HydrophobicContact CD2-CD1 4Å; L60-L158 HydrophobicContact CD2-CD2 4.05Å; L60-L158 HydrophobicContact CG-CD1 4.45Å; L60-L158 HydrophobicContact CG-CD2 3.95Å; L60-M161 HydrophobicContact CB-CE 3.69Å
61F88.1Confident82.6Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-56.5-48.5175.3174.6-97.9000112.6L57 Q58 R63 L64 L65 M161 F168 I356 T360 F364 W366 H374L57-F61 WeakPolarHBondContact O-CB 3.42Å; L57-F61 PolarHBondContact O-N 2.81Å; Q58-F61 WeakPolarHBondContact O-CB 3.49Å; Q58-F61 PolarHBondContact O-N 3.27Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 3.42Å; F61-L64 PolarHBondContact O-N 3.01Å; F61-L65 HydrophobicContact CD1-CD1 3.95Å; F61-L65 HydrophobicContact CD1-CG 4.47Å; F61-L65 HydrophobicContact CE1-CD1 3.34Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CZ-CD1 3.69Å; F61-L65 HydrophobicContact CZ-CD2 4.44Å; F61-L65 HydrophobicContact CZ-CG 4.2Å; F61-L65 PolarHBondContact O-N 3.4Å; F61-M161 HydrophobicContact CB-SD 4.24Å; F61-M161 HydrophobicContact CD2-SD 4.46Å; F61-F168 AromaticContact CD2-CE2 3.99Å; F61-F168 HydrophobicContact CD2-CE2 3.99Å; F61-F168 AromaticContact CD2-CZ 3.58Å; F61-F168 HydrophobicContact CD2-CZ 3.58Å; F61-F168 HydrophobicContact CE2-CE2 4.23Å; F61-F168 AromaticContact CE2-CZ 3.53Å; F61-F168 HydrophobicContact CE2-CZ 3.53Å; F61-I356 HydrophobicContact CE2-CG2 3.74Å; F61-I356 HydrophobicContact CZ-CG2 4.37Å; F61-T360 HydrophobicContact CD2-CG2 4.11Å; F61-T360 HydrophobicContact CE2-CG2 3.59Å; F61-T360 HydrophobicContact CZ-CG2 3.91Å; F61-F364 HydrophobicContact CB-CE2 4.01Å; F61-F364 HydrophobicContact CB-CZ 3.78Å; F61-F364 HydrophobicContact CD1-CE2 4.18Å; F61-F364 HydrophobicContact CD2-CE2 4.13Å; F61-F364 AromaticContact CG-CE2 3.86Å; F61-F364 HydrophobicContact CG-CE2 3.86Å; F61-F364 HydrophobicContact CG-CZ 4.14Å; F61-W366 HydrophobicContact CD1-CH2 4.4Å; F61-W366 HydrophobicContact CD1-CZ3 4.27Å; F61-W366 HydrophobicContact CE1-CH2 4.29Å; F61-W366 AromaticContact CE1-CZ3 3.78Å; F61-W366 HydrophobicContact CE1-CZ3 3.78Å; F61-W366 HydrophobicContact CZ-CZ3 4.49Å; F61-H374 HydrophobicContact CE1-CB 4.37Å
62H88.9Confident84.2Confident69 Ų6933.6 Ų33.632%0.31917%0.166SC..Hα-helixtrans-64.5-33.2178-71.2102000112.9Q58 L59 L60 L65 K66 W366 H374Q58-H62 PolarHBondContact O-N 3.32Å; Q58-H62 PolarHBondContact O-ND1 3.45Å; L59-H62 PolarHBondContact O-N 2.76Å; L60-H62 PolarHBondContact O-N 3.11Å; H62-L65 PolarHBondContact O-N 3.24Å; H62-K66 WeakPolarHBondContact O-CB 3.4Å; H62-K66 PolarHBondContact O-N 2.81Å; H62-W366 AromaticContact CE1-CH2 3.79Å; H62-H374 AromaticContact NE2-CE1 3.92Å; H62-H374 AromaticContact NE2-ND1 3.87Å
63R90.5Very high85.5Confident25 Ų2534.8 Ų34.89%0.09417%0.167CC..Hα-helixtrans-65-41.7174.3-69-178.5-177.1-165.9-1.6111.8W34 L59 L60 F61 K66 L67 F215W34-R63 HydrophobicContact CE3-CB 4.19Å; W34-R63 HydrophobicContact CH2-CB 3.98Å; W34-R63 HydrophobicContact CZ3-CB 3.62Å; W34-R63 HydrophobicContact CZ3-CG 4.45Å; L59-R63 VanDerWaalsContact O-CG 3.32Å; L59-R63 WeakPolarHBondContact O-CG 3.5Å; L59-R63 PolarHBondContact O-N 2.78Å; L59-R63 VanDerWaalsContact O-N 3.08Å; L60-R63 WeakPolarHBondContact O-CB 3.49Å; L60-R63 PolarHBondContact O-N 2.88Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 3.42Å; R63-K66 WeakPolarHBondContact O-CB 2.95Å; R63-K66 PolarHBondContact O-N 3.27Å; R63-L67 PolarHBondContact O-N 2.67Å; R63-L67 VanDerWaalsContact O-N 3.07Å; R63-F215 HydrophobicContact CB-CD1 3.67Å; R63-F215 HydrophobicContact CB-CE1 3.61Å; R63-F215 HydrophobicContact CB-CG 4.38Å; R63-F215 HydrophobicContact CB-CZ 4.32Å; R63-F215 HydrophobicContact CG-CB 4.23Å; R63-F215 HydrophobicContact CG-CD1 3.45Å; R63-F215 VanDerWaalsContact CG-CD1 3.45Å; R63-F215 HydrophobicContact CG-CD2 4.49Å; R63-F215 HydrophobicContact CG-CE1 3.93Å; R63-F215 HydrophobicContact CG-CG 3.77Å; R63-F215 WeakPolarHBondContact O-CE1 3.29Å
64L90.4Very high87.2Confident3 Ų330.3 Ų30.32%0.01614%0.138CC..Hα-helixtrans-62.6-45.1174.9-60.5-174.6000111.8W34 L60 F61 K66 L67 L68 F76 M161 L162 F168 M170W34-L64 HydrophobicContact CZ3-CD2 4.28Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 3.16Å; L60-L64 VanDerWaalsContact O-N 3.1Å; F61-L64 PolarHBondContact O-N 3.01Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.14Å; L64-L67 PolarHBondContact O-N 3.3Å; L64-L68 PolarHBondContact O-N 3.39Å; L64-F76 HydrophobicContact CD2-CE1 3.92Å; L64-F76 HydrophobicContact CD2-CE2 4.06Å; L64-F76 HydrophobicContact CD2-CZ 3.33Å; L64-M161 HydrophobicContact CD1-CE 3.37Å; L64-M161 HydrophobicContact CD1-CG 3.73Å; L64-M161 HydrophobicContact CD1-SD 3.94Å; L64-M161 HydrophobicContact CG-CE 4.1Å; L64-L162 HydrophobicContact CD1-CD2 3.75Å; L64-L162 HydrophobicContact CD2-CD2 3.45Å; L64-L162 VanDerWaalsContact CD2-CD2 3.45Å; L64-L162 HydrophobicContact CG-CD2 4.26Å; L64-F168 HydrophobicContact CB-CD1 4.41Å; L64-F168 HydrophobicContact CB-CE1 4.29Å; L64-F168 HydrophobicContact CB-CE2 4.42Å; L64-F168 HydrophobicContact CB-CG 4.47Å; L64-F168 HydrophobicContact CB-CZ 4.27Å; L64-F168 HydrophobicContact CD1-CD2 3.47Å; L64-F168 VanDerWaalsContact CD1-CD2 3.47Å; L64-F168 HydrophobicContact CD1-CE2 3.65Å; L64-F168 HydrophobicContact CD1-CG 4.02Å; L64-F168 HydrophobicContact CD1-CZ 4.31Å; L64-M170 HydrophobicContact CD2-SD 4.42Å
65L91.7Very high88.1Confident11 Ų1125.6 Ų25.66%0.05812%0.12CC..Hα-helixtrans-59.1-41.3175-71.6-175000112.1F61 H62 L68 F69 F168 H374 L375 V378F61-L65 HydrophobicContact CD1-CD1 3.95Å; F61-L65 HydrophobicContact CD1-CG 4.47Å; F61-L65 HydrophobicContact CE1-CD1 3.34Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CZ-CD1 3.69Å; F61-L65 HydrophobicContact CZ-CD2 4.44Å; F61-L65 HydrophobicContact CZ-CG 4.2Å; F61-L65 PolarHBondContact O-N 3.4Å; H62-L65 PolarHBondContact O-N 3.24Å; L65-L68 PolarHBondContact O-N 3.34Å; L65-F69 VanDerWaalsContact O-CB 3.26Å; L65-F69 WeakPolarHBondContact O-CB 2.87Å; L65-F69 PolarHBondContact O-N 3.36Å; L65-F168 HydrophobicContact CD2-CE1 3.81Å; L65-F168 HydrophobicContact CD2-CZ 4.35Å; L65-F168 HydrophobicContact CG-CE1 4.49Å; L65-H374 HydrophobicContact CD1-CB 3.81Å; L65-L375 HydrophobicContact CD2-CD1 3.83Å; L65-V378 HydrophobicContact CB-CG2 4.18Å; L65-V378 HydrophobicContact CD2-CB 4.11Å; L65-V378 HydrophobicContact CD2-CG1 4.06Å; L65-V378 HydrophobicContact CD2-CG2 4.08Å
66K92.2Very high88.9Confident44 Ų4423.7 Ų23.719%0.19111%0.109CC..Hα-helixtrans-60.3-47.4176.9-164.2178.1-171.3-176.20111.1H62 R63 L64 L68 F69 Y70 L214 F215 N216H62-K66 WeakPolarHBondContact O-CB 3.4Å; H62-K66 PolarHBondContact O-N 2.81Å; R63-K66 WeakPolarHBondContact O-CB 2.95Å; R63-K66 PolarHBondContact O-N 3.27Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.14Å; K66-L68 PolarHBondContact O-N 3.35Å; K66-F69 PolarHBondContact O-N 2.85Å; K66-Y70 HydrophobicContact CG-CD2 3.91Å; K66-Y70 HydrophobicContact CG-CE2 3.78Å; K66-Y70 WeakPolarHBondContact O-CD2 3.2Å; K66-Y70 PolarHBondContact O-N 3.33Å; K66-L214 WeakPolarHBondContact CE-O 3.39Å; K66-L214 PolarHBondContact NZ-O 2.93Å; K66-F215 HydrophobicContact CB-CD1 4.5Å; K66-F215 HydrophobicContact CB-CE1 4.45Å; K66-F215 HydrophobicContact CD-CD1 3.96Å; K66-N216 PolarHBondContact NZ-O 3.16Å
67L92.9Very high89.8Confident0 Ų023.6 Ų23.60%011%0.108CC..Hα-helixtrans-59.1-47.1177.9-71.1174.1000112.1W34 R63 L64 Y70 G71 I72 A74 F76 M170 I196 L214 F215W34-L67 HydrophobicContact CH2-CD1 3.79Å; R63-L67 PolarHBondContact O-N 2.67Å; R63-L67 VanDerWaalsContact O-N 3.07Å; L64-L67 PolarHBondContact O-N 3.3Å; L67-Y70 PolarHBondContact O-N 2.89Å; L67-G71 PolarHBondContact O-N 3.02Å; L67-I72 HydrophobicContact CD2-CB 4.1Å; L67-I72 HydrophobicContact CD2-CD1 3.85Å; L67-I72 HydrophobicContact CD2-CG2 3.99Å; L67-I72 PolarHBondContact O-N 3.16Å; L67-A74 HydrophobicContact CD1-CB 3.84Å; L67-F76 HydrophobicContact CD1-CE1 4.11Å; L67-F76 HydrophobicContact CD1-CZ 3.65Å; L67-M170 HydrophobicContact CB-CE 4.08Å; L67-I196 HydrophobicContact CD2-CD1 3.99Å; L67-L214 HydrophobicContact CD2-CD2 3.88Å; L67-F215 HydrophobicContact CD1-CZ 4.25Å; L67-F215 HydrophobicContact CD2-CE1 4.26Å; L67-F215 HydrophobicContact CD2-CZ 3.92Å; L67-F215 HydrophobicContact CG-CE1 4.05Å; L67-F215 HydrophobicContact CG-CZ 3.98Å
68L90.8Very high90.2Very high20 Ų2024.6 Ų24.611%0.10511%0.112CC..Hα-helixtrans-65-40.5178.7-75169.6000112.8L64 L65 K66 Y70 G71 F168 M170 P351 V378L64-L68 PolarHBondContact O-N 3.39Å; L65-L68 PolarHBondContact O-N 3.34Å; K66-L68 PolarHBondContact O-N 3.35Å; L68-Y70 VanDerWaalsContact C-N 3.33Å; L68-Y70 PolarHBondContact O-N 3.22Å; L68-G71 PolarHBondContact O-N 3.48Å; L68-F168 HydrophobicContact CD1-CD1 3.47Å; L68-F168 VanDerWaalsContact CD1-CD1 3.47Å; L68-F168 HydrophobicContact CD1-CE1 4.05Å; L68-F168 HydrophobicContact CD1-CG 4.47Å; L68-M170 HydrophobicContact CD1-CE 4.43Å; L68-M170 HydrophobicContact CD2-CE 3.58Å; L68-M170 HydrophobicContact CG-CE 3.59Å; L68-M170 HydrophobicContact CG-SD 4.47Å; L68-P351 HydrophobicContact CD1-CG 3.63Å; L68-P351 HydrophobicContact CD2-CG 4.38Å; L68-V378 HydrophobicContact CB-CG1 3.44Å; L68-V378 VanDerWaalsContact CB-CG1 3.44Å; L68-V378 HydrophobicContact CD1-CG1 4.39Å
69F91.7Very high90.3Very high84 Ų8426.2 Ų26.237%0.36812%0.122SC..Hα-helixtrans-60-43.9179.6-179.8-94000111.8L65 K66 G71 V378 R381L65-F69 VanDerWaalsContact O-CB 3.26Å; L65-F69 WeakPolarHBondContact O-CB 2.87Å; L65-F69 PolarHBondContact O-N 3.36Å; K66-F69 PolarHBondContact O-N 2.85Å; F69-G71 PolarHBondContact O-N 3.16Å; F69-V378 HydrophobicContact CB-CG1 4.38Å; F69-V378 HydrophobicContact CB-CG2 4.2Å; F69-V378 HydrophobicContact CD2-CG2 4.28Å; F69-R381 HydrophobicContact CD2-CB 4.47Å; F69-R381 HydrophobicContact CD2-CG 4.43Å; F69-R381 VanDerWaalsContact O-CG 3.26Å; F69-R381 WeakPolarHBondContact O-CG 3.43Å
70Y91.8Very high90.2Very high22 Ų2224 Ų249%0.08611%0.112CC..THydrogen-bonded Turntrans-80.83.3176.5-70.4-69.9000113.5L19 D20 E23 K66 L67 L68 I72L19-Y70 HydrophobicContact CB-CD1 3.58Å; L19-Y70 HydrophobicContact CB-CD2 4.07Å; L19-Y70 HydrophobicContact CB-CE1 3.44Å; L19-Y70 VanDerWaalsContact CB-CE1 3.44Å; L19-Y70 HydrophobicContact CB-CE2 3.98Å; L19-Y70 HydrophobicContact CB-CG 3.9Å; L19-Y70 HydrophobicContact CD1-CD2 4.17Å; L19-Y70 HydrophobicContact CD1-CE1 4.29Å; L19-Y70 HydrophobicContact CD1-CE2 3.53Å; L19-Y70 HydrophobicContact CD2-CD2 4.4Å; L19-Y70 HydrophobicContact CG-CD2 4.47Å; L19-Y70 HydrophobicContact CG-CE1 4.47Å; L19-Y70 HydrophobicContact CG-CE2 4.24Å; D20-Y70 WeakPolarHBondContact OD1-CE1 3.39Å; E23-Y70 WeakPolarHBondContact CA-O 3.46Å; K66-Y70 HydrophobicContact CG-CD2 3.91Å; K66-Y70 HydrophobicContact CG-CE2 3.78Å; K66-Y70 WeakPolarHBondContact O-CD2 3.2Å; K66-Y70 PolarHBondContact O-N 3.33Å; L67-Y70 PolarHBondContact O-N 2.89Å; L68-Y70 VanDerWaalsContact C-N 3.33Å; L68-Y70 PolarHBondContact O-N 3.22Å; Y70-I72 VanDerWaalsContact C-N 3.27Å; Y70-I72 PolarHBondContact O-N 3.47Å
71G90.9Very high89.7Confident15 Ų1528.5 Ų28.516%0.15514%0.141CC..THydrogen-bonded Turntrans70.221177.400000114.4G24 L67 L68 F69 L385G24-G71 WeakPolarHBondContact CA-O 3.48Å; G24-G71 PolarHBondContact N-O 2.93Å; L67-G71 PolarHBondContact O-N 3.02Å; L68-G71 PolarHBondContact O-N 3.48Å; F69-G71 PolarHBondContact O-N 3.16Å; G71-L385 VanDerWaalsContact CA-CD1 3.43Å
72I93.2Very high88.9Confident4 Ų432.9 Ų32.92%0.02116%0.162CC..  trans-76.2125.4-179.7-61.8170.6000108.7L22 L27 L67 Y70 A74 I196 L214L22-I72 HydrophobicContact CB-CD1 3.98Å; L22-I72 HydrophobicContact CB-CG1 3.85Å; L22-I72 HydrophobicContact CD1-CD1 4.03Å; L27-I72 HydrophobicContact CB-CG2 4.19Å; L27-I72 HydrophobicContact CD1-CG2 3.85Å; L27-I72 HydrophobicContact CG-CG2 4.19Å; L67-I72 HydrophobicContact CD2-CB 4.1Å; L67-I72 HydrophobicContact CD2-CD1 3.85Å; L67-I72 HydrophobicContact CD2-CG2 3.99Å; L67-I72 PolarHBondContact O-N 3.16Å; Y70-I72 VanDerWaalsContact C-N 3.27Å; Y70-I72 PolarHBondContact O-N 3.47Å; I72-A74 PolarHBondContact O-N 3.14Å; I72-A74 VanDerWaalsContact O-N 3.14Å; I72-I196 HydrophobicContact CG2-CD1 4.4Å; I72-L214 HydrophobicContact CD1-CD1 4.07Å
73R91.9Very high87.9Confident117 Ų11731.6 Ų31.644%0.44216%0.159SC..EExtended strand (participates in β ladder)trans-87.579.3176.6-68.1-176.1-179.2-170.91.3109.4T25 K26 L27 W348T25-R73 PolarHBondContact O-N 2.89Å; K26-R73 WeakPolarHBondContact CA-O 3.46Å; K26-R73 HydrophobicContact CG-CB 4.16Å; L27-R73 PolarHBondContact N-O 3.38Å; R73-W348 HydrophobicContact CB-CD2 4.22Å; R73-W348 HydrophobicContact CB-CZ2 3.89Å
74A93.7Very high86.9Confident0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-73.1138.2-177.600000112.5L27 V29 L67 I72 F76 M170 P171 W348L27-A74 CarbonylContact O-C 3.53Å; L27-A74 VanDerWaalsContact O-CA 3.25Å; L27-A74 WeakPolarHBondContact O-CA 3.4Å; V29-A74 HydrophobicContact CG2-CB 3.91Å; L67-A74 HydrophobicContact CD1-CB 3.84Å; I72-A74 PolarHBondContact O-N 3.14Å; I72-A74 VanDerWaalsContact O-N 3.14Å; A74-F76 HydrophobicContact CB-CE2 3.89Å; A74-F76 HydrophobicContact CB-CZ 3.97Å; A74-M170 HydrophobicContact CB-CE 4.27Å; A74-P171 WeakPolarHBondContact O-CD 3.36Å; A74-W348 PolarHBondContact O-NE1 3.27Å
75I93.4Very high85.9Confident0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-112.3116.9162.9-70.3147.4000107L27 S28 V29 P171 V173 L186 I191 T192 L346 W348L27-I75 PolarHBondContact O-N 3.16Å; S28-I75 CarbonylContact C-O 3.55Å; S28-I75 VanDerWaalsContact CA-O 3.27Å; S28-I75 WeakPolarHBondContact CA-O 3.26Å; V29-I75 PolarHBondContact N-O 2.85Å; I75-P171 HydrophobicContact CB-CG 4.38Å; I75-P171 HydrophobicContact CG1-CB 4.47Å; I75-P171 HydrophobicContact CG1-CG 3.61Å; I75-V173 HydrophobicContact CG2-CG2 3.79Å; I75-L186 HydrophobicContact CG2-CD1 4.08Å; I75-I191 HydrophobicContact CD1-CG2 4.19Å; I75-T192 HydrophobicContact CD1-CG2 3.59Å; I75-L346 HydrophobicContact CD1-CD1 3.74Å; I75-L346 HydrophobicContact CG1-CD1 4.27Å; I75-W348 HydrophobicContact CD1-CH2 3.89Å; I75-W348 HydrophobicContact CD1-CZ2 3.75Å; I75-W348 HydrophobicContact CG1-CH2 4.14Å; I75-W348 HydrophobicContact CG1-CZ2 3.6Å
76F92.2Very high84.8Confident0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-87134.2-178.7-67.7-81.6000111V29 L31 W34 L64 L67 A74 L162 M170 P171 V172 V173V29-F76 HydrophobicContact CB-CD1 3.72Å; V29-F76 HydrophobicContact CB-CE1 3.98Å; V29-F76 HydrophobicContact CG1-CD1 3.8Å; V29-F76 HydrophobicContact CG1-CE1 3.84Å; V29-F76 HydrophobicContact CG2-CD1 4.29Å; V29-F76 HydrophobicContact CG2-CE1 4.13Å; L31-F76 HydrophobicContact CD1-CB 3.62Å; L31-F76 HydrophobicContact CD1-CD1 3.93Å; L31-F76 HydrophobicContact CD1-CG 4.07Å; L31-F76 HydrophobicContact CD2-CD1 3.41Å; L31-F76 VanDerWaalsContact CD2-CD1 3.41Å; L31-F76 HydrophobicContact CD2-CE1 3.92Å; L31-F76 HydrophobicContact CD2-CG 4.34Å; L31-F76 HydrophobicContact CG-CB 4Å; L31-F76 HydrophobicContact CG-CD1 3.63Å; L31-F76 HydrophobicContact CG-CG 4.23Å; W34-F76 AromaticContact CH2-CE1 3.79Å; W34-F76 HydrophobicContact CH2-CE1 3.79Å; W34-F76 HydrophobicContact CH2-CZ 4.49Å; W34-F76 AromaticContact CZ3-CE1 3.85Å; W34-F76 HydrophobicContact CZ3-CE1 3.85Å; L64-F76 HydrophobicContact CD2-CE1 3.92Å; L64-F76 HydrophobicContact CD2-CE2 4.06Å; L64-F76 HydrophobicContact CD2-CZ 3.33Å; L67-F76 HydrophobicContact CD1-CE1 4.11Å; L67-F76 HydrophobicContact CD1-CZ 3.65Å; A74-F76 HydrophobicContact CB-CE2 3.89Å; A74-F76 HydrophobicContact CB-CZ 3.97Å; F76-L162 HydrophobicContact CB-CD1 4.15Å; F76-L162 HydrophobicContact CD1-CD1 4.28Å; F76-L162 HydrophobicContact CD1-CD2 4.38Å; F76-L162 HydrophobicContact CD2-CD1 4.18Å; F76-L162 HydrophobicContact CD2-CD2 3.56Å; F76-L162 HydrophobicContact CD2-CG 4.41Å; F76-L162 HydrophobicContact CE1-CD2 4.23Å; F76-L162 HydrophobicContact CE2-CD2 3.4Å; F76-L162 VanDerWaalsContact CE2-CD2 3.4Å; F76-L162 HydrophobicContact CG-CD1 3.92Å; F76-L162 HydrophobicContact CG-CD2 4.05Å; F76-L162 HydrophobicContact CZ-CD2 3.75Å; F76-M170 HydrophobicContact CD2-CB 4.07Å; F76-M170 HydrophobicContact CE2-CB 3.75Å; F76-M170 HydrophobicContact CE2-CG 4.17Å; F76-M170 HydrophobicContact CE2-SD 3.55Å; F76-M170 VanDerWaalsContact CE2-SD 3.55Å; F76-M170 HydrophobicContact CZ-SD 4.05Å; F76-P171 PolarHBondContact N-O 3.33Å; F76-V172 HydrophobicContact CB-CG2 4.32Å; F76-V172 CarbonylContact O-C 3.57Å; F76-V172 WeakPolarHBondContact O-CA 3.4Å; F76-V173 PolarHBondContact O-N 3.37Å
77V91.6Very high84.1Confident0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-116.2128.5-179.7-173.60000109.3V29 L31 V173 A179 Q182 C183 L186V29-V77 PolarHBondContact O-N 3.26Å; L31-V77 PolarHBondContact N-O 2.96Å; V77-V173 WeakPolarHBondContact CA-O 3.22Å; V77-A179 HydrophobicContact CB-CB 4.31Å; V77-A179 HydrophobicContact CG1-CB 3.78Å; V77-Q182 HydrophobicContact CG1-CB 3.78Å; V77-Q182 HydrophobicContact CG1-CG 3.87Å; V77-C183 VanDerWaalsContact CG2-SG 3.54Å; V77-L186 HydrophobicContact CG2-CD1 3.84Å
78F87.1Confident82.9Confident23 Ų2339.7 Ų39.710%0.10121%0.208CC..EExtended strand (participates in β ladder)trans-102.9147173.1-72.8-88.1000111L31 L35 L155 L162 V172 V173 G175L31-F78 HydrophobicContact CB-CD1 4.34Å; L31-F78 HydrophobicContact CB-CE1 4.27Å; L31-F78 HydrophobicContact CD1-CD1 4.06Å; L31-F78 HydrophobicContact CD1-CD2 3.91Å; L31-F78 HydrophobicContact CD1-CE1 3.51Å; L31-F78 HydrophobicContact CD1-CE2 3.32Å; L31-F78 HydrophobicContact CD1-CG 4.26Å; L31-F78 HydrophobicContact CD1-CZ 3.14Å; L35-F78 HydrophobicContact CD1-CE1 4.38Å; F78-L155 HydrophobicContact CD1-CD2 3.73Å; F78-L155 HydrophobicContact CE1-CD2 3.6Å; F78-L162 HydrophobicContact CE2-CD1 4.32Å; F78-L162 HydrophobicContact CZ-CD1 4.14Å; F78-V172 HydrophobicContact CD2-CG1 3.42Å; F78-V172 VanDerWaalsContact CD2-CG1 3.42Å; F78-V172 HydrophobicContact CE2-CB 4.43Å; F78-V172 HydrophobicContact CE2-CG1 3.28Å; F78-V172 HydrophobicContact CE2-CG2 4.3Å; F78-V173 PolarHBondContact N-O 2.96Å; F78-G175 PolarHBondContact O-N 2.84Å
79D85.4Confident81.9Confident57 Ų5745.9 Ų45.931%0.30523%0.23SC..PPolyproline II helixtrans-59.3146.6165.1-68.8-27.3000111S32 A179S32-D79 WeakPolarHBondContact CB-OD2 3.26Å; D79-A179 WeakPolarHBondContact OD1-CB 3.14Å; D79-A179 PolarHBondContact OD1-N 3.27Å
80G82Confident80.8Confident8 Ų842.6 Ų42.68%0.08222%0.217CC..PPolyproline II helixtrans-90.1170.8174.600000113.2E82 G175 P176 A177G80-E82 PolarHBondContact O-N 2.87Å; G80-G175 WeakPolarHBondContact CA-O 3.49Å; G80-G175 PolarHBondContact N-O 3.24Å; G80-P176 WeakPolarHBondContact CA-O 3.14Å; G80-A177 PolarHBondContact N-O 3.12Å
81P73.5Confident79.7Confident96 Ų9646 Ų4662%0.62323%0.233SC*.SBendtrans-70.6-20.2178.929.9-33.1000112.9V83P81-V83 VanDerWaalsContact C-N 3.29Å; P81-V83 PolarHBondContact O-N 3.23Å; P81-V83 VanDerWaalsContact O-N 3.14Å
82E71.6Confident78.4Confident92 Ų9248.1 Ų48.143%0.4324%0.243SC..  trans-9151.6-172.9-54.9-176.5176.300112.8G80 S84 P176 A177 R337G80-E82 PolarHBondContact O-N 2.87Å; E82-S84 PolarHBondContact O-N 3.11Å; E82-P176 WeakPolarHBondContact CB-O 3.22Å; E82-P176 PolarHBondContact N-O 2.75Å; E82-A177 WeakPolarHBondContact O-CB 3.49Å; E82-R337 IonicContact OE1-CZ 3.32Å; E82-R337 IonicContact OE1-NH1 3.62Å; E82-R337 PolarHBondContact OE1-NH1 3.18Å; E82-R337 IonicContact OE1-NH2 3.01Å; E82-R337 VanDerWaalsContact OE2-CD 3.26Å; E82-R337 WeakPolarHBondContact OE2-CD 3.33Å; E82-R337 IonicContact OE2-CZ 3.5Å; E82-R337 IonicContact OE2-NE 3.92Å; E82-R337 PolarHBondContact OE2-NE 3.44Å; E82-R337 IonicContact OE2-NH1 2.87Å; E82-R337 PolarHBondContact OE2-NH1 3.48Å
83V68.2Low76.9Confident42 Ų4248.9 Ų48.926%0.25525%0.252SS..  trans-60.5129.3173.6-1790000109.5P81 S85 K87 K88P81-V83 VanDerWaalsContact C-N 3.29Å; P81-V83 PolarHBondContact O-N 3.23Å; P81-V83 VanDerWaalsContact O-N 3.14Å; V83-S85 PolarHBondContact O-N 3.3Å; V83-K87 HydrophobicContact CG1-CB 4.27Å; V83-K87 HydrophobicContact CG1-CD 4.08Å; V83-K87 HydrophobicContact CG1-CG 4.45Å; V83-K88 HydrophobicContact CG1-CG 4.35Å; V83-K88 WeakPolarHBondContact O-CE 3.1Å
84S68.2Low75.7Confident30 Ų3046.9 Ų46.921%0.2125%0.247CC..  trans-54.9138.7-175.774.60000111.6E82 L86 K87 K88 Y251E82-S84 PolarHBondContact O-N 3.11Å; S84-L86 PolarHBondContact O-N 3.01Å; S84-K87 PolarHBondContact O-N 2.85Å; S84-K87 WeakPolarHBondContact OG-CB 3.41Å; S84-K87 PolarHBondContact OG-N 2.95Å; S84-K88 PolarHBondContact O-N 3.4Å; S84-Y251 WeakPolarHBondContact OG-CE1 3.36Å
85S69.2Low74.2Confident71 Ų7149.7 Ų49.750%0.49726%0.264SS..Hα-helixtrans-61.1-26.9176.4580000112.1V83 R89V83-S85 PolarHBondContact O-N 3.3Å; S85-R89 VanDerWaalsContact O-CG 3.27Å; S85-R89 WeakPolarHBondContact O-CG 3.34Å; S85-R89 PolarHBondContact O-N 3.38Å
86L69.9Low72.5Confident22 Ų2252.5 Ų52.512%0.11528%0.276CS..Hα-helixtrans-62.2-52.9174.2-65.4168.4000111.3S84 K88 R89 T90 Y251 L328 I329 A332S84-L86 PolarHBondContact O-N 3.01Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.22Å; L86-R89 PolarHBondContact O-N 3.1Å; L86-R89 VanDerWaalsContact O-N 3.16Å; L86-T90 PolarHBondContact O-N 3.18Å; L86-T90 PolarHBondContact O-OG1 2.88Å; L86-T90 VanDerWaalsContact O-OG1 3.1Å; L86-Y251 HydrophobicContact CB-CD1 3.92Å; L86-Y251 HydrophobicContact CD1-CD1 4.35Å; L86-L328 HydrophobicContact CD1-CB 4.14Å; L86-I329 HydrophobicContact CD1-CG1 4.07Å; L86-I329 HydrophobicContact CD2-CG1 4.38Å; L86-A332 HydrophobicContact CD1-CB 4.49Å
87K75.9Confident71.1Confident23 Ų2355.4 Ų55.410%0.130%0.3CS..Hα-helixtrans-58.3-43.4177.1-171.8172.3-170.3179.20111.4V83 S84 R89 T90 Q91 E178 D250 Y251V83-K87 HydrophobicContact CG1-CB 4.27Å; V83-K87 HydrophobicContact CG1-CD 4.08Å; V83-K87 HydrophobicContact CG1-CG 4.45Å; S84-K87 PolarHBondContact O-N 2.85Å; S84-K87 WeakPolarHBondContact OG-CB 3.41Å; S84-K87 PolarHBondContact OG-N 2.95Å; K87-R89 PolarHBondContact O-N 3.47Å; K87-T90 PolarHBondContact O-N 3.23Å; K87-Q91 HydrophobicContact CG-CG 4.42Å; K87-Q91 WeakPolarHBondContact O-CB 3.46Å; K87-Q91 VanDerWaalsContact O-CG 3.27Å; K87-Q91 WeakPolarHBondContact O-CG 3.5Å; K87-Q91 PolarHBondContact O-N 3.39Å; K87-E178 WeakPolarHBondContact CD-OE1 3.13Å; K87-E178 IonicContact NZ-OE1 3.25Å; K87-E178 IonicContact NZ-OE2 3.21Å; K87-E178 PolarHBondContact NZ-OE2 3.17Å; K87-D250 HydrophobicContact CD-CB 4.43Å; K87-D250 VanDerWaalsContact CE-OD2 3.26Å; K87-D250 WeakPolarHBondContact CE-OD2 3.34Å; K87-D250 HydrophobicContact CG-CB 4.31Å; K87-D250 IonicContact NZ-OD2 3.41Å; K87-Y251 HydrophobicContact CD-CE2 4.42Å
88K68.2Low69.5Low108 Ų10859.1 Ų59.147%0.4732%0.316SS..Hα-helixtrans-59.8-45.2176-67179.1-175.6173.40112.4V83 S84 L86 Q91 V92V83-K88 HydrophobicContact CG1-CG 4.35Å; V83-K88 WeakPolarHBondContact O-CE 3.1Å; S84-K88 PolarHBondContact O-N 3.4Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.22Å; K88-Q91 PolarHBondContact O-N 3.34Å; K88-V92 WeakPolarHBondContact O-CB 3.32Å; K88-V92 VanDerWaalsContact O-CG2 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.35Å; K88-V92 PolarHBondContact O-N 2.91Å
89R70.8Confident68.1Low149 Ų14958.5 Ų58.556%0.56231%0.314SS*.Hα-helixtrans-61-45.3178-76.3170-1781712.4111.7S85 L86 K87 V92 G93S85-R89 VanDerWaalsContact O-CG 3.27Å; S85-R89 WeakPolarHBondContact O-CG 3.34Å; S85-R89 PolarHBondContact O-N 3.38Å; L86-R89 PolarHBondContact O-N 3.1Å; L86-R89 VanDerWaalsContact O-N 3.16Å; K87-R89 PolarHBondContact O-N 3.47Å; R89-V92 PolarHBondContact O-N 3.25Å; R89-G93 PolarHBondContact O-N 3.36Å
90T67.9Low66.9Low16 Ų1658.2 Ų58.210%0.09832%0.316CS..Hα-helixtrans-68.9-41.2-178.8-53.10000111.3L86 K87 G93 F94 D250 Y251 V253L86-T90 PolarHBondContact O-N 3.18Å; L86-T90 PolarHBondContact O-OG1 2.88Å; L86-T90 VanDerWaalsContact O-OG1 3.1Å; K87-T90 PolarHBondContact O-N 3.23Å; T90-G93 PolarHBondContact O-N 2.96Å; T90-F94 HydrophobicContact CG2-CD2 3.97Å; T90-F94 HydrophobicContact CG2-CE2 3.45Å; T90-F94 VanDerWaalsContact CG2-CE2 3.45Å; T90-F94 HydrophobicContact CG2-CZ 4.05Å; T90-F94 VanDerWaalsContact O-CD2 3.22Å; T90-F94 WeakPolarHBondContact O-CD2 3.47Å; T90-F94 PolarHBondContact O-N 3.41Å; T90-D250 WeakPolarHBondContact CB-O 3.49Å; T90-Y251 VanDerWaalsContact OG1-C 3.3Å; T90-Y251 PolarHBondContact OG1-O 2.94Å; T90-V253 HydrophobicContact CG2-CG2 4.23Å
91Q67.8Low65.8Low92 Ų9266 Ų6643%0.4335%0.348SS..Hα-helixtrans-60.4-45.7173.3-75.2177.3-1500112.3K87 K88 G93 F94 V95K87-Q91 HydrophobicContact CG-CG 4.42Å; K87-Q91 WeakPolarHBondContact O-CB 3.46Å; K87-Q91 VanDerWaalsContact O-CG 3.27Å; K87-Q91 WeakPolarHBondContact O-CG 3.5Å; K87-Q91 PolarHBondContact O-N 3.39Å; K88-Q91 PolarHBondContact O-N 3.34Å; Q91-G93 VanDerWaalsContact C-N 3.3Å; Q91-G93 PolarHBondContact O-N 3.22Å; Q91-F94 PolarHBondContact O-N 3.27Å; Q91-V95 WeakPolarHBondContact O-CG2 3.09Å; Q91-V95 PolarHBondContact O-N 2.93Å
92V64.3Low65Low61 Ų6165.8 Ų65.837%0.3734%0.339SS..Hα-helixtrans-60.9-41.8174.2171.60000110.7K88 R89 F94 V95 F96K88-V92 WeakPolarHBondContact O-CB 3.32Å; K88-V92 VanDerWaalsContact O-CG2 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.35Å; K88-V92 PolarHBondContact O-N 2.91Å; R89-V92 PolarHBondContact O-N 3.25Å; V92-F94 PolarHBondContact O-N 3.03Å; V92-V95 PolarHBondContact O-N 3.12Å; V92-F96 WeakPolarHBondContact O-CB 3.37Å; V92-F96 PolarHBondContact O-N 3.01Å
93G62.4Low64.3Low20 Ų2063.8 Ų63.821%0.20633%0.333CS..Hα-helixtrans-59.8-42.7174.700000113.1R89 T90 Q91 F96 A97R89-G93 PolarHBondContact O-N 3.36Å; T90-G93 PolarHBondContact O-N 2.96Å; Q91-G93 VanDerWaalsContact C-N 3.3Å; Q91-G93 PolarHBondContact O-N 3.22Å; G93-F96 PolarHBondContact O-N 3.3Å; G93-A97 WeakPolarHBondContact O-CB 3.26Å; G93-A97 PolarHBondContact O-N 2.75Å
94F66Low63.7Low74 Ų7470.2 Ų70.233%0.32536%0.36SS..Hα-helixtrans-65.8-42.9175.8-74.8-52000112.5T90 Q91 V92 F96 A97 F98 V253T90-F94 HydrophobicContact CG2-CD2 3.97Å; T90-F94 HydrophobicContact CG2-CE2 3.45Å; T90-F94 VanDerWaalsContact CG2-CE2 3.45Å; T90-F94 HydrophobicContact CG2-CZ 4.05Å; T90-F94 VanDerWaalsContact O-CD2 3.22Å; T90-F94 WeakPolarHBondContact O-CD2 3.47Å; T90-F94 PolarHBondContact O-N 3.41Å; Q91-F94 PolarHBondContact O-N 3.27Å; V92-F94 PolarHBondContact O-N 3.03Å; F94-F96 VanDerWaalsContact C-N 3.32Å; F94-F96 PolarHBondContact O-N 2.87Å; F94-A97 PolarHBondContact O-N 2.9Å; F94-F98 VanDerWaalsContact O-CB 3.28Å; F94-F98 WeakPolarHBondContact O-CB 3.44Å; F94-F98 PolarHBondContact O-N 2.99Å; F94-V253 HydrophobicContact CE1-CG1 4.34Å; F94-V253 HydrophobicContact CE1-CG2 4.44Å; F94-V253 HydrophobicContact CZ-CG2 4.46Å
95V62Low62.7Low60 Ų6074.6 Ų74.636%0.36438%0.381SS..Hα-helixtrans-60.9-44.4175.2171.70000110.1Q91 V92 F98 L99Q91-V95 WeakPolarHBondContact O-CG2 3.09Å; Q91-V95 PolarHBondContact O-N 2.93Å; V92-V95 PolarHBondContact O-N 3.12Å; V95-F98 PolarHBondContact O-N 3.1Å; V95-L99 HydrophobicContact CG1-CD1 3.85Å; V95-L99 VanDerWaalsContact O-CB 3.31Å; V95-L99 WeakPolarHBondContact O-CB 3.14Å; V95-L99 WeakPolarHBondContact O-CD1 3.48Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 2.81Å
96F58.9Low61.5Low59 Ų5976.7 Ų76.726%0.25940%0.396SS..Hα-helixtrans-66.7-41.7178.3-165.5-90.5000112.8V92 G93 F94 L99 S100 F109V92-F96 WeakPolarHBondContact O-CB 3.37Å; V92-F96 PolarHBondContact O-N 3.01Å; G93-F96 PolarHBondContact O-N 3.3Å; F94-F96 VanDerWaalsContact C-N 3.32Å; F94-F96 PolarHBondContact O-N 2.87Å; F96-L99 VanDerWaalsContact O-CB 3.26Å; F96-L99 WeakPolarHBondContact O-CB 3.26Å; F96-L99 PolarHBondContact O-N 2.64Å; F96-L99 VanDerWaalsContact O-N 3.17Å; F96-S100 WeakPolarHBondContact CE1-OG 3.37Å; F96-S100 PolarHBondContact O-N 2.84Å; F96-S100 PolarHBondContact O-OG 3.29Å; F96-F109 HydrophobicContact CE1-CB 3.72Å; F96-F109 AromaticContact CE1-CD1 3.85Å; F96-F109 HydrophobicContact CE1-CD1 3.85Å; F96-F109 AromaticContact CE1-CG 3.75Å; F96-F109 HydrophobicContact CE1-CG 3.75Å; F96-F109 HydrophobicContact CE2-CD1 4.48Å; F96-F109 HydrophobicContact CZ-CB 3.9Å; F96-F109 AromaticContact CZ-CD1 3.73Å; F96-F109 HydrophobicContact CZ-CD1 3.73Å; F96-F109 AromaticContact CZ-CD2 3.91Å; F96-F109 HydrophobicContact CZ-CD2 3.91Å; F96-F109 HydrophobicContact CZ-CE1 4.34Å; F96-F109 AromaticContact CZ-CG 3.51Å; F96-F109 HydrophobicContact CZ-CG 3.51Å
97A61.1Low60.3Low60 Ų6079.7 Ų79.750%0.49642%0.424SS..Hα-helixtrans-64.8-41.5176.200000112G93 F94 L99 F101G93-A97 WeakPolarHBondContact O-CB 3.26Å; G93-A97 PolarHBondContact O-N 2.75Å; F94-A97 PolarHBondContact O-N 2.9Å; A97-L99 PolarHBondContact O-N 2.81Å; A97-F101 WeakPolarHBondContact O-CB 3.48Å; A97-F101 PolarHBondContact O-N 3.35Å; A97-F101 VanDerWaalsContact O-N 3.14Å
98F58.8Low59Low78 Ų7886 Ų8634%0.34246%0.459SS..Hα-helixtrans-58.9-39.2172.7179.7-90.1000111.2F94 V95 F101 H102 I141F94-F98 VanDerWaalsContact O-CB 3.28Å; F94-F98 WeakPolarHBondContact O-CB 3.44Å; F94-F98 PolarHBondContact O-N 2.99Å; V95-F98 PolarHBondContact O-N 3.1Å; F98-F101 PolarHBondContact O-N 2.76Å; F98-H102 AromaticContact CD1-ND1 3.88Å; F98-H102 AromaticContact CD2-CE1 3.82Å; F98-H102 AromaticContact CE1-CE1 3.71Å; F98-H102 AromaticContact CE1-ND1 3.59Å; F98-H102 AromaticContact CE2-CE1 3.22Å; F98-H102 WeakPolarHBondContact CE2-CE1 3.14Å; F98-H102 AromaticContact CE2-ND1 3.79Å; F98-H102 AromaticContact CZ-CE1 3.14Å; F98-H102 WeakPolarHBondContact CZ-CE1 3.38Å; F98-H102 AromaticContact CZ-ND1 3.53Å; F98-H102 AromaticContact CZ-NE2 3.68Å; F98-H102 PolarHBondContact O-N 3.15Å; F98-H102 PolarHBondContact O-ND1 2.6Å; F98-I141 HydrophobicContact CD1-CD1 4.45Å; F98-I141 HydrophobicContact CE1-CD1 3.36Å; F98-I141 HydrophobicContact CE2-CD1 4.19Å; F98-I141 HydrophobicContact CZ-CD1 3.2Å
99L57.3Low58.2Low11 Ų1183.9 Ų83.96%0.05845%0.45CS..Hα-helixtrans-67-52.8178.7-85.9166.5000113.9V95 F96 A97 F101 H102 T103 I130 I134V95-L99 HydrophobicContact CG1-CD1 3.85Å; V95-L99 VanDerWaalsContact O-CB 3.31Å; V95-L99 WeakPolarHBondContact O-CB 3.14Å; V95-L99 WeakPolarHBondContact O-CD1 3.48Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 2.81Å; F96-L99 VanDerWaalsContact O-CB 3.26Å; F96-L99 WeakPolarHBondContact O-CB 3.26Å; F96-L99 PolarHBondContact O-N 2.64Å; F96-L99 VanDerWaalsContact O-N 3.17Å; A97-L99 PolarHBondContact O-N 2.81Å; L99-F101 PolarHBondContact O-N 2.68Å; L99-F101 VanDerWaalsContact O-N 3.16Å; L99-H102 PolarHBondContact O-N 3.04Å; L99-T103 HydrophobicContact CD2-CG2 4.49Å; L99-T103 PolarHBondContact O-N 3.2Å; L99-T103 PolarHBondContact O-OG1 2.92Å; L99-I130 HydrophobicContact CB-CG2 4.34Å; L99-I130 HydrophobicContact CD1-CB 4.37Å; L99-I130 HydrophobicContact CD1-CG2 3.23Å; L99-I130 HydrophobicContact CD2-CG2 3.06Å; L99-I130 HydrophobicContact CG-CG2 3.63Å; L99-I134 HydrophobicContact CD1-CD1 3.93Å; L99-I134 HydrophobicContact CD2-CD1 3.13Å; L99-I134 HydrophobicContact CD2-CG1 3.12Å; L99-I134 HydrophobicContact CG-CD1 3.64Å; L99-I134 HydrophobicContact CG-CG1 4.18Å
100S60.2Low57.3Low50 Ų5079.8 Ų79.835%0.3544%0.444SS..Hα-helixtrans-56.9-32.1176.4-57.70000111.9F96F96-S100 WeakPolarHBondContact CE1-OG 3.37Å; F96-S100 PolarHBondContact O-N 2.84Å; F96-S100 PolarHBondContact O-OG 3.29Å
101F58.7Low56.3Low171 Ų17184.1 Ų84.175%0.7547%0.471SS*.Hα-helixtrans-68.3-36.7174.4-173.6-95.6000113.1A97 F98 L99A97-F101 WeakPolarHBondContact O-CB 3.48Å; A97-F101 PolarHBondContact O-N 3.35Å; A97-F101 VanDerWaalsContact O-N 3.14Å; F98-F101 PolarHBondContact O-N 2.76Å; L99-F101 PolarHBondContact O-N 2.68Å; L99-F101 VanDerWaalsContact O-N 3.16Å
102H58.1Low55.6Low92 Ų9282.3 Ų82.343%0.42647%0.471SS..Hα-helixtrans-88.7-27.5-177-75.278.1000114.1F98 L99 Q104F98-H102 AromaticContact CD1-ND1 3.88Å; F98-H102 AromaticContact CD2-CE1 3.82Å; F98-H102 AromaticContact CE1-CE1 3.71Å; F98-H102 AromaticContact CE1-ND1 3.59Å; F98-H102 AromaticContact CE2-CE1 3.22Å; F98-H102 WeakPolarHBondContact CE2-CE1 3.14Å; F98-H102 AromaticContact CE2-ND1 3.79Å; F98-H102 AromaticContact CZ-CE1 3.14Å; F98-H102 WeakPolarHBondContact CZ-CE1 3.38Å; F98-H102 AromaticContact CZ-ND1 3.53Å; F98-H102 AromaticContact CZ-NE2 3.68Å; F98-H102 PolarHBondContact O-N 3.15Å; F98-H102 PolarHBondContact O-ND1 2.6Å; L99-H102 PolarHBondContact O-N 3.04Å; H102-Q104 VanDerWaalsContact C-N 3.33Å; H102-Q104 PolarHBondContact O-N 2.99Å
103T56.2Low55Low51 Ų5183.2 Ų83.231%0.31347%0.471SS..SBendtrans-84.2-3.4-176.558.20000114L99 D105L99-T103 HydrophobicContact CD2-CG2 4.49Å; L99-T103 PolarHBondContact O-N 3.2Å; L99-T103 PolarHBondContact O-OG1 2.92Å; T103-D105 PolarHBondContact O-N 2.87Å
104Q55.1Low54.2Low177 Ų17785.8 Ų85.883%0.82748%0.479SS*.  trans49.812.4-170-82.1-174.7-12.400114.2H102 S106H102-Q104 VanDerWaalsContact C-N 3.33Å; H102-Q104 PolarHBondContact O-N 2.99Å; Q104-S106 PolarHBondContact O-N 3.48Å; Q104-S106 PolarHBondContact O-OG 3.19Å
105D48.5Very low53.4Low122 Ų12290.5 Ų90.565%0.65250%0.499SS*.  trans-70.8100.3173.5-89.6-24.8000107.6T103 A107T103-D105 PolarHBondContact O-N 2.87Å; D105-A107 PolarHBondContact O-N 3.26Å
106S42.5Very low52.9Low114 Ų11497 Ų9780%0.79752%0.517SS*.  trans-66.8118.1179.8-65.10000109.3Q104Q104-S106 PolarHBondContact O-N 3.48Å; Q104-S106 PolarHBondContact O-OG 3.19Å
107A45.9Very low52.4Low86 Ų8695.1 Ų95.171%0.71151%0.51SS*.SBendtrans4589141.900000116.3D105D105-A107 PolarHBondContact O-N 3.26Å
108D48.2Very low52.1Low155 Ų15596.3 Ų96.383%0.82951%0.511SS*.  trans-175.671.2141.4-90.2-21.1000110.2Q113D108-Q113 PolarHBondContact O-OE1 2.96Å
109F50.7Low51.7Low63 Ų6399.6 Ų99.628%0.27653%0.532SS..  trans-130.183.3169.6-142.6-93.4000111.2F96 Q113 M114 L117F96-F109 HydrophobicContact CE1-CB 3.72Å; F96-F109 AromaticContact CE1-CD1 3.85Å; F96-F109 HydrophobicContact CE1-CD1 3.85Å; F96-F109 AromaticContact CE1-CG 3.75Å; F96-F109 HydrophobicContact CE1-CG 3.75Å; F96-F109 HydrophobicContact CE2-CD1 4.48Å; F96-F109 HydrophobicContact CZ-CB 3.9Å; F96-F109 AromaticContact CZ-CD1 3.73Å; F96-F109 HydrophobicContact CZ-CD1 3.73Å; F96-F109 AromaticContact CZ-CD2 3.91Å; F96-F109 HydrophobicContact CZ-CD2 3.91Å; F96-F109 HydrophobicContact CZ-CE1 4.34Å; F96-F109 AromaticContact CZ-CG 3.51Å; F96-F109 HydrophobicContact CZ-CG 3.51Å; F109-Q113 HydrophobicContact CD1-CB 4.22Å; F109-Q113 HydrophobicContact CD2-CB 4.48Å; F109-Q113 HydrophobicContact CE1-CB 3.64Å; F109-Q113 HydrophobicContact CE2-CB 3.93Å; F109-Q113 HydrophobicContact CZ-CB 3.42Å; F109-Q113 VanDerWaalsContact CZ-CB 3.42Å; F109-Q113 HydrophobicContact CZ-CG 4.44Å; F109-M114 HydrophobicContact CD1-CE 4.23Å; F109-M114 HydrophobicContact CE1-CB 4.32Å; F109-M114 HydrophobicContact CE1-CG 4.48Å; F109-L117 HydrophobicContact CE1-CD1 3.75Å; F109-L117 HydrophobicContact CE2-CD1 4.16Å; F109-L117 HydrophobicContact CZ-CD1 3.19Å; F109-L117 HydrophobicContact CZ-CG 4.12Å
110S51.7Low51.4Low63 Ų63106.5 Ų106.544%0.44156%0.557SS.*  trans-65.3149.8178.671.20000111.5A112 Q113 M114S110-A112 PolarHBondContact O-N 3.2Å; S110-Q113 PolarHBondContact O-N 3.46Å; S110-M114 PolarHBondContact O-N 3.45Å
111T48.7Very low51.2Low108 Ų108109 Ų10966%0.66358%0.575SS**Hα-helixtrans-50.4-24.1170.338.60000113.2M114 K115T111-M114 WeakPolarHBondContact O-CB 3.48Å; T111-M114 PolarHBondContact O-N 3.08Å; T111-K115 PolarHBondContact O-N 2.83Å
112A51.6Low50.9Low53 Ų53104.8 Ų104.844%0.43856%0.557SS.*Hα-helixtrans-70.9-38.2173.800000113.3S110 M114 R116S110-A112 PolarHBondContact O-N 3.2Å; A112-M114 VanDerWaalsContact C-N 3.35Å; A112-R116 PolarHBondContact O-N 3.1Å
113Q52.7Low50.6Low81 Ų81102.3 Ų102.338%0.37955%0.547SS..Hα-helixtrans-70-35.5171.6-72.3-179.5-23.700111.2D108 F109 S110 K115 R116 L117D108-Q113 PolarHBondContact O-OE1 2.96Å; F109-Q113 HydrophobicContact CD1-CB 4.22Å; F109-Q113 HydrophobicContact CD2-CB 4.48Å; F109-Q113 HydrophobicContact CE1-CB 3.64Å; F109-Q113 HydrophobicContact CE2-CB 3.93Å; F109-Q113 HydrophobicContact CZ-CB 3.42Å; F109-Q113 VanDerWaalsContact CZ-CB 3.42Å; F109-Q113 HydrophobicContact CZ-CG 4.44Å; S110-Q113 PolarHBondContact O-N 3.46Å; Q113-K115 PolarHBondContact O-N 3.32Å; Q113-R116 PolarHBondContact O-N 3.36Å; Q113-R116 VanDerWaalsContact O-N 3.17Å; Q113-L117 WeakPolarHBondContact O-CB 3.18Å; Q113-L117 PolarHBondContact O-N 3.07Å
114M45.1Very low50.3Low74 Ų74103.8 Ų103.837%0.36556%0.559SS.*Hα-helixtrans-60.2-42.1175-139.5175.4-74.400111.9F109 S110 T111 A112 R116 L117 V118F109-M114 HydrophobicContact CD1-CE 4.23Å; F109-M114 HydrophobicContact CE1-CB 4.32Å; F109-M114 HydrophobicContact CE1-CG 4.48Å; S110-M114 PolarHBondContact O-N 3.45Å; T111-M114 WeakPolarHBondContact O-CB 3.48Å; T111-M114 PolarHBondContact O-N 3.08Å; A112-M114 VanDerWaalsContact C-N 3.35Å; M114-R116 PolarHBondContact O-N 2.78Å; M114-L117 PolarHBondContact O-N 3.07Å; M114-V118 WeakPolarHBondContact O-CG2 3.13Å; M114-V118 PolarHBondContact O-N 3Å
115K49.7Very low50.4Low172 Ų172100.2 Ų100.275%0.74854%0.542SS*.Hα-helixtrans-65.6-34.4174.2-75.7-179179.9-179.90113.6T111 Q113T111-K115 PolarHBondContact O-N 2.83Å; Q113-K115 PolarHBondContact O-N 3.32Å
116R50.6Low50.6Low197 Ų19799.6 Ų99.674%0.74353%0.534SS*.Hα-helixtrans-72.1-31.1177-73.2-179.9-178.9157.31.6112.4A112 Q113 M114A112-R116 PolarHBondContact O-N 3.1Å; Q113-R116 PolarHBondContact O-N 3.36Å; Q113-R116 VanDerWaalsContact O-N 3.17Å; M114-R116 PolarHBondContact O-N 2.78Å
117L49.5Very low50.9Low20 Ų2097 Ų9711%0.10551%0.51CS..Hα-helixtrans-80.8-20.4-175-90.1-171.8000114.8F109 Q113 M114 N119 E122 L123F109-L117 HydrophobicContact CE1-CD1 3.75Å; F109-L117 HydrophobicContact CE2-CD1 4.16Å; F109-L117 HydrophobicContact CZ-CD1 3.19Å; F109-L117 HydrophobicContact CZ-CG 4.12Å; Q113-L117 WeakPolarHBondContact O-CB 3.18Å; Q113-L117 PolarHBondContact O-N 3.07Å; M114-L117 PolarHBondContact O-N 3.07Å; L117-N119 PolarHBondContact O-N 2.78Å; L117-N119 VanDerWaalsContact O-N 3.13Å; L117-E122 HydrophobicContact CD2-CB 4.46Å; L117-L123 HydrophobicContact CB-CD1 3.6Å; L117-L123 HydrophobicContact CD1-CD1 4.05Å; L117-L123 HydrophobicContact CD2-CB 4.28Å; L117-L123 HydrophobicContact CG-CD1 4.31Å; L117-L123 WeakPolarHBondContact O-CB 3.37Å
118V53.9Low51.4Low85 Ų8594.8 Ų94.852%0.51549%0.489SS..THydrogen-bonded Turntrans-63.2-18.6178.6171.40000112.9M114M114-V118 WeakPolarHBondContact O-CG2 3.13Å; M114-V118 PolarHBondContact O-N 3Å
119N50.7Low52Low147 Ų14794.5 Ų94.579%0.78648%0.477SS*.THydrogen-bonded Turntrans-112.98.7-174.3-76.5-12.4000115.6L117L117-N119 PolarHBondContact O-N 2.78Å; L117-N119 VanDerWaalsContact O-N 3.13Å
120R52Low52.3Low156 Ų15693.4 Ų93.459%0.58947%0.473SS*.SBendtrans-126.5142.7-177-81.2-167.2173.5-173.60.5114.2E122 L123R120-E122 HydrophobicContact CB-CB 4.18Å; R120-E122 HydrophobicContact CB-CG 4.38Å; R120-E122 WeakPolarHBondContact CD-OE1 3.3Å; R120-E122 IonicContact CZ-OE1 3.64Å; R120-E122 IonicContact NE-OE1 3.44Å; R120-E122 IonicContact NH1-OE1 3.11Å; R120-E122 PolarHBondContact NH1-OE1 2.98Å; R120-E122 PolarHBondContact O-N 3.3Å; R120-L123 PolarHBondContact O-N 3.14Å
121S54.4Low52.3Low102 Ų10294.5 Ų94.571%0.71347%0.467SS*.Hα-helixtrans-47.6-26166.746.90000113.6L123 S124 E125S121-L123 VanDerWaalsContact C-N 3.28Å; S121-L123 PolarHBondContact O-N 3.4Å; S121-S124 VanDerWaalsContact O-CB 3.29Å; S121-S124 WeakPolarHBondContact O-CB 3.48Å; S121-S124 PolarHBondContact O-N 3.46Å; S121-S124 VanDerWaalsContact O-N 3.08Å; S121-E125 PolarHBondContact O-N 2.92Å
122E53.6Low52.5Low83 Ų8393.8 Ų93.839%0.38846%0.46SS..Hα-helixtrans-57.8-32.4174.3-67171.2-156.600113.8L117 R120 E125 K126L117-E122 HydrophobicContact CD2-CB 4.46Å; R120-E122 HydrophobicContact CB-CB 4.18Å; R120-E122 HydrophobicContact CB-CG 4.38Å; R120-E122 WeakPolarHBondContact CD-OE1 3.3Å; R120-E122 IonicContact CZ-OE1 3.64Å; R120-E122 IonicContact NE-OE1 3.44Å; R120-E122 IonicContact NH1-OE1 3.11Å; R120-E122 PolarHBondContact NH1-OE1 2.98Å; R120-E122 PolarHBondContact O-N 3.3Å; E122-E125 PolarHBondContact O-N 3.14Å; E122-K126 WeakPolarHBondContact O-CB 3.28Å; E122-K126 PolarHBondContact O-N 2.96Å
123L50.7Low52.7Low39 Ų3996.5 Ų96.520%0.20446%0.463CS..Hα-helixtrans-71.7-33176.1-167.7135.3000111.1L117 R120 S121 E125 M127L117-L123 HydrophobicContact CB-CD1 3.6Å; L117-L123 HydrophobicContact CD1-CD1 4.05Å; L117-L123 HydrophobicContact CD2-CB 4.28Å; L117-L123 HydrophobicContact CG-CD1 4.31Å; L117-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 3.14Å; S121-L123 VanDerWaalsContact C-N 3.28Å; S121-L123 PolarHBondContact O-N 3.4Å; L123-E125 VanDerWaalsContact C-N 3.31Å; L123-E125 PolarHBondContact O-N 3.17Å; L123-M127 HydrophobicContact CD2-CE 3.91Å; L123-M127 HydrophobicContact CD2-CG 3.74Å; L123-M127 HydrophobicContact CD2-SD 3.94Å; L123-M127 HydrophobicContact CG-CG 4.13Å; L123-M127 WeakPolarHBondContact O-CA 3.28Å; L123-M127 WeakPolarHBondContact O-CB 3.46Å; L123-M127 WeakPolarHBondContact O-CG 3.37Å; L123-M127 PolarHBondContact O-N 3.18Å
124S50.5Low52.6Low82 Ų8292.9 Ų92.957%0.57345%0.447SS*.Hα-helixtrans-63-41.5173.1-1740000111S121 S128S121-S124 VanDerWaalsContact O-CB 3.29Å; S121-S124 WeakPolarHBondContact O-CB 3.48Å; S121-S124 PolarHBondContact O-N 3.46Å; S121-S124 VanDerWaalsContact O-N 3.08Å; S124-S128 VanDerWaalsContact O-CB 3.29Å; S124-S128 WeakPolarHBondContact O-CB 3.48Å; S124-S128 PolarHBondContact O-N 2.88Å; S124-S128 PolarHBondContact O-OG 3.06Å
125E56.3Low52.8Low102 Ų10292.2 Ų92.248%0.47744%0.444SS..Hα-helixtrans-75.4-41.5-179.2-158.4-173158.400112.6S121 E122 L123 S128 R129S121-E125 PolarHBondContact O-N 2.92Å; E122-E125 PolarHBondContact O-N 3.14Å; L123-E125 VanDerWaalsContact C-N 3.31Å; L123-E125 PolarHBondContact O-N 3.17Å; E125-S128 WeakPolarHBondContact CA-OG 3.34Å; E125-S128 PolarHBondContact O-N 2.97Å; E125-S128 PolarHBondContact O-OG 2.96Å; E125-R129 WeakPolarHBondContact O-CG 3.37Å; E125-R129 PolarHBondContact O-N 3.45Å; E125-R129 IonicContact OE1-CZ 3.15Å; E125-R129 IonicContact OE1-NE 3.75Å; E125-R129 IonicContact OE1-NH2 3.68Å; E125-R129 PolarHBondContact OE1-NH2 2.91Å
126K54.5Low52.6Low109 Ų10991.4 Ų91.447%0.47445%0.447SS..Hα-helixtrans-65.4-43.7172-77-173.9175.5-175.20111.1E122 S128 R129 I130E122-K126 WeakPolarHBondContact O-CB 3.28Å; E122-K126 PolarHBondContact O-N 2.96Å; K126-S128 PolarHBondContact O-N 3.39Å; K126-R129 PolarHBondContact O-N 3.47Å; K126-I130 VanDerWaalsContact O-CB 3.25Å; K126-I130 WeakPolarHBondContact O-CB 3.21Å; K126-I130 WeakPolarHBondContact O-CD1 3.46Å; K126-I130 WeakPolarHBondContact O-CG1 3.31Å; K126-I130 PolarHBondContact O-N 3.49Å
127M48.2Very low52.7Low61 Ų6185.7 Ų85.730%0.344%0.437SS..Hα-helixtrans-63.9-30.5173.5-74.5-140.5-54.400111.9L123 R131L123-M127 HydrophobicContact CD2-CE 3.91Å; L123-M127 HydrophobicContact CD2-CG 3.74Å; L123-M127 HydrophobicContact CD2-SD 3.94Å; L123-M127 HydrophobicContact CG-CG 4.13Å; L123-M127 WeakPolarHBondContact O-CA 3.28Å; L123-M127 WeakPolarHBondContact O-CB 3.46Å; L123-M127 WeakPolarHBondContact O-CG 3.37Å; L123-M127 PolarHBondContact O-N 3.18Å; M127-R131 WeakPolarHBondContact O-CA 3.28Å; M127-R131 WeakPolarHBondContact O-CB 3.39Å; M127-R131 PolarHBondContact O-N 2.89Å
128S56.2Low52.8Low38 Ų3887.2 Ų87.227%0.26645%0.445SS..Hα-helixtrans-73-41.4175.869.60000111.7S124 E125 K126 R131 N132S124-S128 VanDerWaalsContact O-CB 3.29Å; S124-S128 WeakPolarHBondContact O-CB 3.48Å; S124-S128 PolarHBondContact O-N 2.88Å; S124-S128 PolarHBondContact O-OG 3.06Å; E125-S128 WeakPolarHBondContact CA-OG 3.34Å; E125-S128 PolarHBondContact O-N 2.97Å; E125-S128 PolarHBondContact O-OG 2.96Å; K126-S128 PolarHBondContact O-N 3.39Å; S128-R131 PolarHBondContact O-N 3.39Å; S128-N132 WeakPolarHBondContact O-CB 3.22Å; S128-N132 PolarHBondContact O-N 3.35Å; S128-N132 PolarHBondContact O-ND2 2.86Å; S128-N132 PolarHBondContact O-OD1 3.24Å
129R61.3Low52.6Low150 Ų15086.5 Ų86.557%0.56644%0.443SS*.Hα-helixtrans-61.5-50.1173.1-69.7179.3-166.8-168.44.2111.4E125 K126 R131 N132 E133E125-R129 WeakPolarHBondContact O-CG 3.37Å; E125-R129 PolarHBondContact O-N 3.45Å; E125-R129 IonicContact OE1-CZ 3.15Å; E125-R129 IonicContact OE1-NE 3.75Å; E125-R129 IonicContact OE1-NH2 3.68Å; E125-R129 PolarHBondContact OE1-NH2 2.91Å; K126-R129 PolarHBondContact O-N 3.47Å; R129-R131 PolarHBondContact O-N 2.96Å; R129-N132 CarbonylContact O-C 3.6Å; R129-N132 WeakPolarHBondContact O-CA 3.4Å; R129-N132 WeakPolarHBondContact O-CB 3.29Å; R129-N132 PolarHBondContact O-N 3.41Å; R129-N132 VanDerWaalsContact O-N 3.07Å; R129-E133 PolarHBondContact O-N 3.06Å
130I55.8Low52.4Low39 Ų3982 Ų8220%0.242%0.421CS..Hα-helixtrans-67.9-37.2179.7-64.8167000110.9L99 K126 N132 E133 I134L99-I130 HydrophobicContact CB-CG2 4.34Å; L99-I130 HydrophobicContact CD1-CB 4.37Å; L99-I130 HydrophobicContact CD1-CG2 3.23Å; L99-I130 HydrophobicContact CD2-CG2 3.06Å; L99-I130 HydrophobicContact CG-CG2 3.63Å; K126-I130 VanDerWaalsContact O-CB 3.25Å; K126-I130 WeakPolarHBondContact O-CB 3.21Å; K126-I130 WeakPolarHBondContact O-CD1 3.46Å; K126-I130 WeakPolarHBondContact O-CG1 3.31Å; K126-I130 PolarHBondContact O-N 3.49Å; I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 PolarHBondContact O-N 2.86Å; I130-E133 PolarHBondContact O-N 2.87Å; I130-I134 HydrophobicContact CG2-CD1 4.32Å; I130-I134 HydrophobicContact CG2-CG1 4.44Å; I130-I134 WeakPolarHBondContact O-CG1 3.26Å; I130-I134 PolarHBondContact O-N 3.47Å
131R51.5Low52.3Low86 Ų8676.4 Ų76.433%0.32540%0.402SS..Hα-helixtrans-58.6-43.9170179.3-171.1-71.2128.7-4.4109.8M127 S128 R129 E133 I134 I135 L145M127-R131 WeakPolarHBondContact O-CA 3.28Å; M127-R131 WeakPolarHBondContact O-CB 3.39Å; M127-R131 PolarHBondContact O-N 2.89Å; S128-R131 PolarHBondContact O-N 3.39Å; R129-R131 PolarHBondContact O-N 2.96Å; R131-E133 VanDerWaalsContact C-N 3.32Å; R131-E133 PolarHBondContact O-N 3.19Å; R131-I134 PolarHBondContact O-N 3.28Å; R131-I135 HydrophobicContact CG-CD1 3.73Å; R131-I135 HydrophobicContact CG-CG1 4.26Å; R131-I135 WeakPolarHBondContact O-CB 3.23Å; R131-I135 VanDerWaalsContact O-CD1 3.32Å; R131-I135 WeakPolarHBondContact O-CD1 3.28Å; R131-I135 WeakPolarHBondContact O-CG1 3.18Å; R131-I135 PolarHBondContact O-N 3.01Å; R131-L145 HydrophobicContact CG-CB 4.32Å; R131-L145 HydrophobicContact CG-CD1 4.19Å
132N53.8Low51.9Low93 Ų9372 Ų7250%0.49737%0.372SS..Hα-helixtrans-64.9-33.7176.8-68.2-15.3000112.4S128 R129 I130 I135 L136S128-N132 WeakPolarHBondContact O-CB 3.22Å; S128-N132 PolarHBondContact O-N 3.35Å; S128-N132 PolarHBondContact O-ND2 2.86Å; S128-N132 PolarHBondContact O-OD1 3.24Å; R129-N132 CarbonylContact O-C 3.6Å; R129-N132 WeakPolarHBondContact O-CA 3.4Å; R129-N132 WeakPolarHBondContact O-CB 3.29Å; R129-N132 PolarHBondContact O-N 3.41Å; R129-N132 VanDerWaalsContact O-N 3.07Å; I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 PolarHBondContact O-N 2.86Å; N132-I135 WeakPolarHBondContact O-CB 3.47Å; N132-L136 WeakPolarHBondContact O-CG 3.44Å; N132-L136 PolarHBondContact O-N 2.92Å
133E55.7Low51.7Low110 Ų11070.9 Ų70.951%0.51437%0.368SS..Hα-helixtrans-73.2-42.8174-73.8172.6176.200112.4R129 I130 R131 I135 L136 S137R129-E133 PolarHBondContact O-N 3.06Å; I130-E133 PolarHBondContact O-N 2.87Å; R131-E133 VanDerWaalsContact C-N 3.32Å; R131-E133 PolarHBondContact O-N 3.19Å; E133-I135 VanDerWaalsContact C-N 3.26Å; E133-I135 PolarHBondContact O-N 3.47Å; E133-L136 WeakPolarHBondContact O-CB 2.96Å; E133-L136 PolarHBondContact O-N 2.81Å; E133-L136 VanDerWaalsContact O-N 3.14Å; E133-S137 PolarHBondContact O-N 3.49Å; E133-S137 PolarHBondContact O-OG 3.04Å
134I51.2Low51.4Low6 Ų670.8 Ų70.83%0.03137%0.37CS..Hα-helixtrans-61.7-39171.8-61.1161.7000110.9L99 I130 R131 L136 S137 D138 I141 L145L99-I134 HydrophobicContact CD1-CD1 3.93Å; L99-I134 HydrophobicContact CD2-CD1 3.13Å; L99-I134 HydrophobicContact CD2-CG1 3.12Å; L99-I134 HydrophobicContact CG-CD1 3.64Å; L99-I134 HydrophobicContact CG-CG1 4.18Å; I130-I134 HydrophobicContact CG2-CD1 4.32Å; I130-I134 HydrophobicContact CG2-CG1 4.44Å; I130-I134 WeakPolarHBondContact O-CG1 3.26Å; I130-I134 PolarHBondContact O-N 3.47Å; R131-I134 PolarHBondContact O-N 3.28Å; I134-L136 PolarHBondContact O-N 3.46Å; I134-L136 VanDerWaalsContact O-N 3.11Å; I134-S137 WeakPolarHBondContact CA-OG 3.4Å; I134-S137 PolarHBondContact O-N 2.96Å; I134-S137 PolarHBondContact O-OG 3.43Å; I134-D138 PolarHBondContact O-N 3.29Å; I134-I141 HydrophobicContact CG2-CB 3.84Å; I134-I141 HydrophobicContact CG2-CD1 4.5Å; I134-I141 HydrophobicContact CG2-CG2 3.54Å; I134-L145 HydrophobicContact CD1-CD1 4.29Å
135I47.9Very low51.3Low60 Ų6069.9 Ų69.931%0.30836%0.359SS..Hα-helixtrans-54.2-33179.4-81.3163.1000110.2R131 N132 E133 A142R131-I135 HydrophobicContact CG-CD1 3.73Å; R131-I135 HydrophobicContact CG-CG1 4.26Å; R131-I135 WeakPolarHBondContact O-CB 3.23Å; R131-I135 VanDerWaalsContact O-CD1 3.32Å; R131-I135 WeakPolarHBondContact O-CD1 3.28Å; R131-I135 WeakPolarHBondContact O-CG1 3.18Å; R131-I135 PolarHBondContact O-N 3.01Å; N132-I135 WeakPolarHBondContact O-CB 3.47Å; E133-I135 VanDerWaalsContact C-N 3.26Å; E133-I135 PolarHBondContact O-N 3.47Å; I135-A142 VanDerWaalsContact CA-CB 3.43Å; I135-A142 HydrophobicContact CB-CB 3.83Å; I135-A142 HydrophobicContact CG1-CB 3.65Å; I135-A142 HydrophobicContact CG2-CB 3.95Å
136L47Very low50.7Low154 Ų15468.4 Ų68.481%0.80636%0.36SS*.Hα-helixtrans-83.7-26.4179.1-64.8167.8000113.4N132 E133 I134N132-L136 WeakPolarHBondContact O-CG 3.44Å; N132-L136 PolarHBondContact O-N 2.92Å; E133-L136 WeakPolarHBondContact O-CB 2.96Å; E133-L136 PolarHBondContact O-N 2.81Å; E133-L136 VanDerWaalsContact O-N 3.14Å; I134-L136 PolarHBondContact O-N 3.46Å; I134-L136 VanDerWaalsContact O-N 3.11Å
137S51.6Low50.5Low78 Ų7864.2 Ų64.255%0.54534%0.342SS..Hα-helixtrans-94.5-30.9-176.256.30000114.8E133 I134E133-S137 PolarHBondContact O-N 3.49Å; E133-S137 PolarHBondContact O-OG 3.04Å; I134-S137 WeakPolarHBondContact CA-OG 3.4Å; I134-S137 PolarHBondContact O-N 2.96Å; I134-S137 PolarHBondContact O-OG 3.43Å
138D52.7Low50.4Low51 Ų5163.6 Ų63.627%0.27335%0.351SS..  trans-138.5102.5175.7-169.2-19.4000110.8I134 V140 I141 A142I134-D138 PolarHBondContact O-N 3.29Å; D138-V140 PolarHBondContact O-N 3.21Å; D138-V140 VanDerWaalsContact O-N 3.12Å; D138-V140 VanDerWaalsContact OD1-CB 3.28Å; D138-V140 WeakPolarHBondContact OD1-CB 3.37Å; D138-V140 PolarHBondContact OD1-N 3Å; D138-I141 HydrophobicContact CB-CB 4.25Å; D138-I141 HydrophobicContact CB-CD1 4.02Å; D138-I141 HydrophobicContact CB-CG1 4.12Å; D138-I141 PolarHBondContact O-N 2.96Å; D138-I141 VanDerWaalsContact O-N 3.12Å; D138-I141 WeakPolarHBondContact OD2-CD1 3.48Å; D138-A142 WeakPolarHBondContact O-CB 3.42Å; D138-A142 PolarHBondContact O-N 3.43Å
139P48.7Very low49.7Very low71 Ų7169.7 Ų69.746%0.46138%0.375SS..Hα-helixtrans-61.3-23.3-178.624.7-33000112.7A142 L143P139-A142 WeakPolarHBondContact O-CB 3.38Å; P139-L143 WeakPolarHBondContact O-CB 3.32Å; P139-L143 WeakPolarHBondContact O-CD1 3.38Å; P139-L143 WeakPolarHBondContact O-CG 3.38Å; P139-L143 PolarHBondContact O-N 3.12Å; P139-L143 VanDerWaalsContact O-N 3.09Å
140V47Very low49.3Very low53 Ų5363.9 Ų63.932%0.32136%0.357SS..Hα-helixtrans-69.1-43.5177.4-178.50000110.6V43 I47 D138 S144V43-V140 HydrophobicContact CG1-CB 4.34Å; V43-V140 HydrophobicContact CG1-CG1 3.99Å; I47-V140 HydrophobicContact CD1-CB 4.34Å; I47-V140 HydrophobicContact CD1-CG2 3.46Å; I47-V140 VanDerWaalsContact CD1-CG2 3.46Å; D138-V140 PolarHBondContact O-N 3.21Å; D138-V140 VanDerWaalsContact O-N 3.12Å; D138-V140 VanDerWaalsContact OD1-CB 3.28Å; D138-V140 WeakPolarHBondContact OD1-CB 3.37Å; D138-V140 PolarHBondContact OD1-N 3Å; V140-S144 WeakPolarHBondContact O-CB 3.39Å; V140-S144 PolarHBondContact O-N 3.09Å; V140-S144 PolarHBondContact O-OG 2.81Å
141I49.1Very low49.2Very low38 Ų3864 Ų6420%0.19536%0.359CS..Hα-helixtrans-75.4-37.8-179.7-58.4176.5000110F98 I134 D138 L143 S144 L145F98-I141 HydrophobicContact CD1-CD1 4.45Å; F98-I141 HydrophobicContact CE1-CD1 3.36Å; F98-I141 HydrophobicContact CE2-CD1 4.19Å; F98-I141 HydrophobicContact CZ-CD1 3.2Å; I134-I141 HydrophobicContact CG2-CB 3.84Å; I134-I141 HydrophobicContact CG2-CD1 4.5Å; I134-I141 HydrophobicContact CG2-CG2 3.54Å; D138-I141 HydrophobicContact CB-CB 4.25Å; D138-I141 HydrophobicContact CB-CD1 4.02Å; D138-I141 HydrophobicContact CB-CG1 4.12Å; D138-I141 PolarHBondContact O-N 2.96Å; D138-I141 VanDerWaalsContact O-N 3.12Å; D138-I141 WeakPolarHBondContact OD2-CD1 3.48Å; I141-L143 PolarHBondContact O-N 2.77Å; I141-S144 PolarHBondContact O-N 3.27Å; I141-L145 HydrophobicContact CG2-CD1 3.64Å; I141-L145 HydrophobicContact CG2-CG 4.05Å; I141-L145 WeakPolarHBondContact O-CB 3.48Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.44Å; I141-L145 PolarHBondContact O-N 3.03Å
142A46.9Very low49.4Very low10 Ų1064.9 Ų64.98%0.08337%0.371CS..Hα-helixtrans-49.6-55.5171.600000112.2I135 D138 P139 L145 S146I135-A142 VanDerWaalsContact CA-CB 3.43Å; I135-A142 HydrophobicContact CB-CB 3.83Å; I135-A142 HydrophobicContact CG1-CB 3.65Å; I135-A142 HydrophobicContact CG2-CB 3.95Å; D138-A142 WeakPolarHBondContact O-CB 3.42Å; D138-A142 PolarHBondContact O-N 3.43Å; P139-A142 WeakPolarHBondContact O-CB 3.38Å; A142-L145 PolarHBondContact O-N 3.1Å; A142-S146 WeakPolarHBondContact O-CB 3.24Å; A142-S146 PolarHBondContact O-N 3.23Å; A142-S146 PolarHBondContact O-OG 2.93Å
143L49Very low50.1Low58 Ų5864.8 Ų64.830%0.30437%0.37SS..Hα-helixtrans-66.8-45.9-178.5-71.4166.2000110V43 I47 P139 I141 L145 S146 E147V43-L143 HydrophobicContact CB-CB 4.43Å; V43-L143 HydrophobicContact CG1-CB 3.83Å; V43-L143 HydrophobicContact CG1-CD1 3.87Å; V43-L143 HydrophobicContact CG1-CG 4.5Å; V43-L143 HydrophobicContact CG2-CB 3.82Å; I47-L143 HydrophobicContact CD1-CD1 4.32Å; I47-L143 HydrophobicContact CG1-CD1 4.06Å; P139-L143 WeakPolarHBondContact O-CB 3.32Å; P139-L143 WeakPolarHBondContact O-CD1 3.38Å; P139-L143 WeakPolarHBondContact O-CG 3.38Å; P139-L143 PolarHBondContact O-N 3.12Å; P139-L143 VanDerWaalsContact O-N 3.09Å; I141-L143 PolarHBondContact O-N 2.77Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-L145 PolarHBondContact O-N 3.35Å; L143-S146 PolarHBondContact O-N 3.28Å; L143-S146 PolarHBondContact O-OG 3.37Å; L143-E147 WeakPolarHBondContact O-CB 3.23Å; L143-E147 VanDerWaalsContact O-CG 3.28Å; L143-E147 WeakPolarHBondContact O-CG 3.38Å; L143-E147 PolarHBondContact O-N 2.9Å
144S45.3Very low50.6Low37 Ų3759.7 Ų59.726%0.25935%0.346SS..Hα-helixtrans-59.7-37.9178.7-59.20000113.5V140 I141V140-S144 WeakPolarHBondContact O-CB 3.39Å; V140-S144 PolarHBondContact O-N 3.09Å; V140-S144 PolarHBondContact O-OG 2.81Å; I141-S144 PolarHBondContact O-N 3.27Å
145L47.2Very low51.3Low63 Ų6361.9 Ų61.933%0.3336%0.358SS..Hα-helixtrans-79.3-32.8178.8-71173.9000113R131 I134 I141 A142 L143 E147R131-L145 HydrophobicContact CG-CB 4.32Å; R131-L145 HydrophobicContact CG-CD1 4.19Å; I134-L145 HydrophobicContact CD1-CD1 4.29Å; I141-L145 HydrophobicContact CG2-CD1 3.64Å; I141-L145 HydrophobicContact CG2-CG 4.05Å; I141-L145 WeakPolarHBondContact O-CB 3.48Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.44Å; I141-L145 PolarHBondContact O-N 3.03Å; A142-L145 PolarHBondContact O-N 3.1Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-L145 PolarHBondContact O-N 3.35Å; L145-E147 VanDerWaalsContact C-N 3.26Å
146S44.8Very low52.5Low72 Ų7262.6 Ų62.650%0.50337%0.365SS..Hα-helixtrans-70.3-25174.7740000112.5A142 L143 G148A142-S146 WeakPolarHBondContact O-CB 3.24Å; A142-S146 PolarHBondContact O-N 3.23Å; A142-S146 PolarHBondContact O-OG 2.93Å; L143-S146 PolarHBondContact O-N 3.28Å; L143-S146 PolarHBondContact O-OG 3.37Å; S146-G148 VanDerWaalsContact C-N 3.3Å; S146-G148 PolarHBondContact O-N 2.92Å
147E50.7Low53.8Low21 Ų2159.2 Ų59.210%0.09834%0.341CS..G310 helixtrans-84.911.7-172.9-79.4-158.6167.100115.2R42 L143 L145 Q149 T150 T151R42-E147 WeakPolarHBondContact CD-OE1 3.41Å; R42-E147 IonicContact CZ-OE1 2.78Å; R42-E147 IonicContact NE-OE1 2.73Å; R42-E147 PolarHBondContact NE-OE1 2.81Å; R42-E147 IonicContact NE-OE2 3.55Å; R42-E147 IonicContact NH2-OE1 3.58Å; L143-E147 WeakPolarHBondContact O-CB 3.23Å; L143-E147 VanDerWaalsContact O-CG 3.28Å; L143-E147 WeakPolarHBondContact O-CG 3.38Å; L143-E147 PolarHBondContact O-N 2.9Å; L145-E147 VanDerWaalsContact C-N 3.26Å; E147-Q149 PolarHBondContact O-N 3.17Å; E147-Q149 VanDerWaalsContact O-N 3.08Å; E147-T150 VanDerWaalsContact C-OG1 3.24Å; E147-T150 WeakPolarHBondContact CA-OG1 3.34Å; E147-T150 WeakPolarHBondContact CB-OG1 3.47Å; E147-T150 WeakPolarHBondContact CG-OG1 3.5Å; E147-T150 WeakPolarHBondContact O-CA 3.45Å; E147-T150 WeakPolarHBondContact O-CB 3.5Å; E147-T150 PolarHBondContact O-N 3.26Å; E147-T150 PolarHBondContact O-OG1 3.16Å; E147-T151 PolarHBondContact O-N 3.5Å; E147-T151 VanDerWaalsContact O-N 3.16Å
148G45.2Very low54.9Low48 Ų4855.6 Ų55.650%0.49532%0.316SS..G310 helixtrans-61.1-14.5175.700000115.4S146 T151S146-G148 VanDerWaalsContact C-N 3.3Å; S146-G148 PolarHBondContact O-N 2.92Å; G148-T151 PolarHBondContact O-OG1 2.86Å
149Q41.9Very low56Low165 Ų16560.4 Ų60.477%0.77133%0.33SS*.G310 helixtrans-91.8-23.4168.6-71.3-178-9.500112.9E147E147-Q149 PolarHBondContact O-N 3.17Å; E147-Q149 VanDerWaalsContact O-N 3.08Å
150T51.9Low57.3Low28 Ų2862.2 Ų62.217%0.17233%0.331CS..Hα-helixtrans-77-28.2178.52.80000112.1E147 D152 N153 N154E147-T150 VanDerWaalsContact C-OG1 3.24Å; E147-T150 WeakPolarHBondContact CA-OG1 3.34Å; E147-T150 WeakPolarHBondContact CB-OG1 3.47Å; E147-T150 WeakPolarHBondContact CG-OG1 3.5Å; E147-T150 WeakPolarHBondContact O-CA 3.45Å; E147-T150 WeakPolarHBondContact O-CB 3.5Å; E147-T150 PolarHBondContact O-N 3.26Å; E147-T150 PolarHBondContact O-OG1 3.16Å; T150-D152 VanDerWaalsContact C-N 3.31Å; T150-D152 PolarHBondContact O-N 3.16Å; T150-N153 PolarHBondContact O-N 3.48Å; T150-N154 WeakPolarHBondContact O-CB 3.45Å; T150-N154 PolarHBondContact O-N 2.83Å; T150-N154 PolarHBondContact O-ND2 2.99Å
151T54.4Low58.6Low42 Ų4259.8 Ų59.826%0.25832%0.316SS..Hα-helixtrans-52-48.7169.843.70000111I39 E147 G148 N153 N154 L155I39-T151 HydrophobicContact CD1-CG2 3.44Å; I39-T151 VanDerWaalsContact CD1-CG2 3.44Å; E147-T151 PolarHBondContact O-N 3.5Å; E147-T151 VanDerWaalsContact O-N 3.16Å; G148-T151 PolarHBondContact O-OG1 2.86Å; T151-N153 PolarHBondContact O-N 3.32Å; T151-N154 PolarHBondContact O-N 3.21Å; T151-L155 VanDerWaalsContact O-CB 3.23Å; T151-L155 WeakPolarHBondContact O-CB 3.39Å; T151-L155 WeakPolarHBondContact O-CD1 3.39Å; T151-L155 WeakPolarHBondContact O-CG 3.38Å; T151-L155 PolarHBondContact O-N 3.19Å
152D56.4Low59.8Low105 Ų10558 Ų5856%0.56131%0.307SS*.Hα-helixtrans-63.6-43.9-179.4-78.7-18.1000112.4T150 N154 L155 V156T150-D152 VanDerWaalsContact C-N 3.31Å; T150-D152 PolarHBondContact O-N 3.16Å; D152-N154 PolarHBondContact O-N 2.94Å; D152-L155 WeakPolarHBondContact O-CB 3.44Å; D152-L155 PolarHBondContact O-N 3.24Å; D152-V156 VanDerWaalsContact O-CG2 3.28Å; D152-V156 WeakPolarHBondContact O-CG2 3.5Å; D152-V156 PolarHBondContact O-N 3.41Å
153N67.6Low60.8Low91 Ų9159.1 Ų59.149%0.48731%0.314SS..Hα-helixtrans-65.4-39.6176.4-80.1-36.9000112.3T150 T151 V156 R157T150-N153 PolarHBondContact O-N 3.48Å; T151-N153 PolarHBondContact O-N 3.32Å; N153-V156 PolarHBondContact O-N 2.87Å; N153-R157 VanDerWaalsContact O-CG 3.32Å; N153-R157 WeakPolarHBondContact O-CG 3.21Å; N153-R157 PolarHBondContact O-N 3.04Å
154N67Low61.2Low2 Ų261.2 Ų61.21%0.01132%0.318CS..Hα-helixtrans-71.2-35.4178-69.8-17.9000111.8L35 H56 T150 T151 D152 R157 L158L35-N154 HydrophobicContact CD2-CB 4.45Å; H56-N154 PolarHBondContact NE2-OD1 3.49Å; T150-N154 WeakPolarHBondContact O-CB 3.45Å; T150-N154 PolarHBondContact O-N 2.83Å; T150-N154 PolarHBondContact O-ND2 2.99Å; T151-N154 PolarHBondContact O-N 3.21Å; D152-N154 PolarHBondContact O-N 2.94Å; N154-R157 PolarHBondContact O-N 3.37Å; N154-R157 PolarHBondContact OD1-NH1 3.26Å; N154-L158 WeakPolarHBondContact O-CB 3.37Å; N154-L158 PolarHBondContact O-N 3.24Å
155L65.8Low61.9Low52 Ų5265.9 Ų65.927%0.27234%0.34SS..Hα-helixtrans-61.2-47.7171.2-83.6165.1000111.3L35 F78 T151 D152 R157 L158 R159L35-L155 HydrophobicContact CD1-CD2 3.24Å; L35-L155 HydrophobicContact CD1-CG 3.97Å; L35-L155 HydrophobicContact CD2-CD2 4.3Å; L35-L155 HydrophobicContact CD2-CG 4.27Å; L35-L155 HydrophobicContact CG-CD2 4.39Å; F78-L155 HydrophobicContact CD1-CD2 3.73Å; F78-L155 HydrophobicContact CE1-CD2 3.6Å; T151-L155 VanDerWaalsContact O-CB 3.23Å; T151-L155 WeakPolarHBondContact O-CB 3.39Å; T151-L155 WeakPolarHBondContact O-CD1 3.39Å; T151-L155 WeakPolarHBondContact O-CG 3.38Å; T151-L155 PolarHBondContact O-N 3.19Å; D152-L155 WeakPolarHBondContact O-CB 3.44Å; D152-L155 PolarHBondContact O-N 3.24Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.26Å; L155-L158 PolarHBondContact O-N 3.17Å; L155-R159 VanDerWaalsContact O-CB 3.28Å; L155-R159 WeakPolarHBondContact O-CB 3.33Å; L155-R159 PolarHBondContact O-N 2.6Å
156V71.9Confident62.6Low75 Ų7567.4 Ų67.446%0.45535%0.345SS..Hα-helixtrans-61.1-43.2176.3171.10000110.7D152 N153 K160D152-V156 VanDerWaalsContact O-CG2 3.28Å; D152-V156 WeakPolarHBondContact O-CG2 3.5Å; D152-V156 PolarHBondContact O-N 3.41Å; N153-V156 PolarHBondContact O-N 2.87Å; V156-K160 HydrophobicContact CG1-CD 4.39Å; V156-K160 VanDerWaalsContact O-CG 3.32Å; V156-K160 WeakPolarHBondContact O-CG 3.45Å; V156-K160 PolarHBondContact O-N 2.77Å
157R74.8Confident64.1Low83 Ų8364.6 Ų64.631%0.31333%0.325SS..Hα-helixtrans-63.7-48.1175.3-72.3177.7-173.1116.83.7111.6L57 N153 N154 L155 R159 K160 M161 W363L57-R157 HydrophobicContact CD2-CB 4.31Å; N153-R157 VanDerWaalsContact O-CG 3.32Å; N153-R157 WeakPolarHBondContact O-CG 3.21Å; N153-R157 PolarHBondContact O-N 3.04Å; N154-R157 PolarHBondContact O-N 3.37Å; N154-R157 PolarHBondContact OD1-NH1 3.26Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.26Å; R157-R159 VanDerWaalsContact C-N 3.33Å; R157-R159 PolarHBondContact O-N 3.3Å; R157-K160 CarbonylContact O-C 3.54Å; R157-K160 WeakPolarHBondContact O-CA 3.01Å; R157-K160 WeakPolarHBondContact O-CB 3.32Å; R157-K160 PolarHBondContact O-N 3.47Å; R157-K160 VanDerWaalsContact O-N 3.13Å; R157-M161 PolarHBondContact O-N 2.89Å; R157-W363 HydrophobicContact CB-CH2 4.08Å; R157-W363 HydrophobicContact CB-CZ2 4.1Å; R157-W363 HydrophobicContact CG-CZ2 4.31Å; R157-W363 WeakPolarHBondContact O-CH2 3.02Å
158L74.9Confident65.7Low3 Ų363.6 Ų63.62%0.01632%0.32CS..Hα-helixtrans-59.1-44.9177.4-93.2-169.4000112.3L35 L60 N154 L155 K160 M161 L162L35-L158 HydrophobicContact CD1-CD1 4.21Å; L35-L158 HydrophobicContact CD2-CD1 3.32Å; L35-L158 HydrophobicContact CD2-CG 4.28Å; L35-L158 HydrophobicContact CG-CD1 3.57Å; L60-L158 HydrophobicContact CB-CD2 3.77Å; L60-L158 HydrophobicContact CD1-CD1 3.79Å; L60-L158 HydrophobicContact CD1-CD2 3.55Å; L60-L158 HydrophobicContact CD1-CG 3.75Å; L60-L158 HydrophobicContact CD2-CD1 4Å; L60-L158 HydrophobicContact CD2-CD2 4.05Å; L60-L158 HydrophobicContact CG-CD1 4.45Å; L60-L158 HydrophobicContact CG-CD2 3.95Å; N154-L158 WeakPolarHBondContact O-CB 3.37Å; N154-L158 PolarHBondContact O-N 3.24Å; L155-L158 PolarHBondContact O-N 3.17Å; L158-K160 VanDerWaalsContact C-N 3.32Å; L158-K160 PolarHBondContact O-N 3.16Å; L158-M161 HydrophobicContact CD2-CE 3.45Å; L158-M161 VanDerWaalsContact CD2-CE 3.45Å; L158-M161 CarbonylContact O-C 3.57Å; L158-M161 WeakPolarHBondContact O-CA 3.16Å; L158-M161 WeakPolarHBondContact O-CB 3.25Å; L158-M161 PolarHBondContact O-N 3.4Å; L158-M161 VanDerWaalsContact O-N 3.09Å; L158-L162 WeakPolarHBondContact O-CB 3.46Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 3.46Å
159R75.6Confident67.5Low151 Ų15161.3 Ų61.357%0.5730%0.297SS*.Hα-helixtrans-59.2-46.6175.5-173.6175.4177.4161.70.3110.2L155 R157 M161 L162 S163L155-R159 VanDerWaalsContact O-CB 3.28Å; L155-R159 WeakPolarHBondContact O-CB 3.33Å; L155-R159 PolarHBondContact O-N 2.6Å; R157-R159 VanDerWaalsContact C-N 3.33Å; R157-R159 PolarHBondContact O-N 3.3Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 3.47Å; R159-L162 PolarHBondContact O-N 3.47Å; R159-S163 WeakPolarHBondContact O-CB 3.42Å; R159-S163 PolarHBondContact O-N 3.11Å; R159-S163 PolarHBondContact O-OG 2.81Å
160K75.4Confident69.7Low110 Ų11053.6 Ų53.648%0.47826%0.261SS..Hα-helixtrans-56.9-42.5173.1-73.9177-179.9-175.50111.8V156 R157 L158 L162 N167V156-K160 HydrophobicContact CG1-CD 4.39Å; V156-K160 VanDerWaalsContact O-CG 3.32Å; V156-K160 WeakPolarHBondContact O-CG 3.45Å; V156-K160 PolarHBondContact O-N 2.77Å; R157-K160 CarbonylContact O-C 3.54Å; R157-K160 WeakPolarHBondContact O-CA 3.01Å; R157-K160 WeakPolarHBondContact O-CB 3.32Å; R157-K160 PolarHBondContact O-N 3.47Å; R157-K160 VanDerWaalsContact O-N 3.13Å; L158-K160 VanDerWaalsContact C-N 3.32Å; L158-K160 PolarHBondContact O-N 3.16Å; K160-L162 PolarHBondContact O-N 3.42Å; K160-N167 PolarHBondContact O-ND2 3.19Å
161M75.4Confident71.5Confident1 Ų152.5 Ų52.51%0.00525%0.254CS..Hα-helixtrans-62.6-41.1177.1-164.4163.16700112.1L60 F61 L64 R157 L158 R159 N167 F168 W363L60-M161 HydrophobicContact CB-CE 3.69Å; F61-M161 HydrophobicContact CB-SD 4.24Å; F61-M161 HydrophobicContact CD2-SD 4.46Å; L64-M161 HydrophobicContact CD1-CE 3.37Å; L64-M161 HydrophobicContact CD1-CG 3.73Å; L64-M161 HydrophobicContact CD1-SD 3.94Å; L64-M161 HydrophobicContact CG-CE 4.1Å; R157-M161 PolarHBondContact O-N 2.89Å; L158-M161 HydrophobicContact CD2-CE 3.45Å; L158-M161 VanDerWaalsContact CD2-CE 3.45Å; L158-M161 CarbonylContact O-C 3.57Å; L158-M161 WeakPolarHBondContact O-CA 3.16Å; L158-M161 WeakPolarHBondContact O-CB 3.25Å; L158-M161 PolarHBondContact O-N 3.4Å; L158-M161 VanDerWaalsContact O-N 3.09Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 3.47Å; M161-N167 VanDerWaalsContact O-CB 3.28Å; M161-N167 WeakPolarHBondContact O-CB 3.37Å; M161-F168 HydrophobicContact CG-CD2 3.72Å; M161-F168 HydrophobicContact CG-CE2 3.58Å; M161-F168 WeakPolarHBondContact O-CD2 3.44Å; M161-F168 HydrophobicContact SD-CE2 4.08Å; M161-W363 HydrophobicContact CB-CH2 3.77Å; M161-W363 HydrophobicContact CB-CZ3 3.82Å; M161-W363 HydrophobicContact CG-CH2 4.42Å; M161-W363 HydrophobicContact CG-CZ3 4.06Å; M161-W363 HydrophobicContact SD-CZ3 3.74Å
162L73.8Confident73.1Confident1 Ų152.8 Ų52.81%0.00526%0.256CS..Hα-helixtrans-82.3-34.1-175.5-71172.1000113.3L31 L64 F76 F78 L158 R159 K160 R164 M170 V172L31-L162 HydrophobicContact CD1-CD1 3.47Å; L31-L162 VanDerWaalsContact CD1-CD1 3.47Å; L31-L162 HydrophobicContact CD2-CD1 4.38Å; L64-L162 HydrophobicContact CD1-CD2 3.75Å; L64-L162 HydrophobicContact CD2-CD2 3.45Å; L64-L162 VanDerWaalsContact CD2-CD2 3.45Å; L64-L162 HydrophobicContact CG-CD2 4.26Å; F76-L162 HydrophobicContact CB-CD1 4.15Å; F76-L162 HydrophobicContact CD1-CD1 4.28Å; F76-L162 HydrophobicContact CD1-CD2 4.38Å; F76-L162 HydrophobicContact CD2-CD1 4.18Å; F76-L162 HydrophobicContact CD2-CD2 3.56Å; F76-L162 HydrophobicContact CD2-CG 4.41Å; F76-L162 HydrophobicContact CE1-CD2 4.23Å; F76-L162 HydrophobicContact CE2-CD2 3.4Å; F76-L162 VanDerWaalsContact CE2-CD2 3.4Å; F76-L162 HydrophobicContact CG-CD1 3.92Å; F76-L162 HydrophobicContact CG-CD2 4.05Å; F76-L162 HydrophobicContact CZ-CD2 3.75Å; F78-L162 HydrophobicContact CE2-CD1 4.32Å; F78-L162 HydrophobicContact CZ-CD1 4.14Å; L158-L162 WeakPolarHBondContact O-CB 3.46Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 3.46Å; R159-L162 PolarHBondContact O-N 3.47Å; K160-L162 PolarHBondContact O-N 3.42Å; L162-R164 PolarHBondContact O-N 3.44Å; L162-M170 VanDerWaalsContact O-O 3.05Å; L162-V172 HydrophobicContact CB-CG2 3.59Å; L162-V172 HydrophobicContact CD1-CG2 4.18Å; L162-V172 HydrophobicContact CG-CG2 4.5Å
163S68.4Low74.7Confident33 Ų3348.3 Ų48.323%0.23123%0.232CC..  trans-39.9123.2-171.6-800000112.2R159 D165 Q166 N167R159-S163 WeakPolarHBondContact O-CB 3.42Å; R159-S163 PolarHBondContact O-N 3.11Å; R159-S163 PolarHBondContact O-OG 2.81Å; S163-D165 PolarHBondContact O-N 3.07Å; S163-Q166 PolarHBondContact O-N 3.44Å; S163-N167 PolarHBondContact O-N 2.75Å
164R57.2Low75.7Confident103 Ų10349.7 Ų49.739%0.38923%0.234SC..THydrogen-bonded Turntrans-46.3-37.6-178.9-179.9177.9166.5179.3-3.4113.3L162 T345 S347 T349L162-R164 PolarHBondContact O-N 3.44Å; R164-T345 PolarHBondContact NH1-O 3.24Å; R164-S347 PolarHBondContact NE-OG 3.24Å; R164-S347 PolarHBondContact NH2-OG 3.42Å; R164-T349 PolarHBondContact O-OG1 2.85Å
165D58.7Low76.6Confident135 Ų13549.7 Ų49.772%0.72223%0.234SC*.THydrogen-bonded Turntrans-89.4-6.7-175.1-55.3-34000114.1S163 K355S163-D165 PolarHBondContact O-N 3.07Å; D165-K355 PolarHBondContact O-NZ 3.48Å
166Q63.6Low77.6Confident94 Ų9447.7 Ų47.744%0.43922%0.224SC..THydrogen-bonded Turntrans-118.4-38.6-164.1-64.1-166.5-18.200115.2S163 K355S163-Q166 PolarHBondContact O-N 3.44Å; Q166-K355 VanDerWaalsContact O-CB 3.32Å; Q166-K355 WeakPolarHBondContact O-CB 3.33Å; Q166-K355 WeakPolarHBondContact O-CD 3.28Å
167N75.8Confident78.4Confident13 Ų1344.8 Ų44.87%0.0721%0.208CC..SBendtrans-146.2-80.2-170.4-64.6-63000113.6K160 M161 S163 P351 D352 I356 L359K160-N167 PolarHBondContact O-ND2 3.19Å; M161-N167 VanDerWaalsContact O-CB 3.28Å; M161-N167 WeakPolarHBondContact O-CB 3.37Å; S163-N167 PolarHBondContact O-N 2.75Å; N167-P351 CarbonylContact O-C 3.58Å; N167-P351 VanDerWaalsContact O-CA 3.27Å; N167-P351 WeakPolarHBondContact O-CA 2.75Å; N167-D352 PolarHBondContact O-N 2.84Å; N167-I356 HydrophobicContact CB-CG1 4.06Å; N167-L359 VanDerWaalsContact ND2-CD1 3.26Å; N167-L359 WeakPolarHBondContact ND2-CD1 3.46Å
168F83.9Confident79.1Confident0 Ų041.4 Ų41.40%020%0.196CC..SBendtrans-89-10-172-77.4-77.4000114.7F61 L64 L65 L68 M161 M170 P351 I356F61-F168 AromaticContact CD2-CE2 3.99Å; F61-F168 HydrophobicContact CD2-CE2 3.99Å; F61-F168 AromaticContact CD2-CZ 3.58Å; F61-F168 HydrophobicContact CD2-CZ 3.58Å; F61-F168 HydrophobicContact CE2-CE2 4.23Å; F61-F168 AromaticContact CE2-CZ 3.53Å; F61-F168 HydrophobicContact CE2-CZ 3.53Å; L64-F168 HydrophobicContact CB-CD1 4.41Å; L64-F168 HydrophobicContact CB-CE1 4.29Å; L64-F168 HydrophobicContact CB-CE2 4.42Å; L64-F168 HydrophobicContact CB-CG 4.47Å; L64-F168 HydrophobicContact CB-CZ 4.27Å; L64-F168 HydrophobicContact CD1-CD2 3.47Å; L64-F168 VanDerWaalsContact CD1-CD2 3.47Å; L64-F168 HydrophobicContact CD1-CE2 3.65Å; L64-F168 HydrophobicContact CD1-CG 4.02Å; L64-F168 HydrophobicContact CD1-CZ 4.31Å; L65-F168 HydrophobicContact CD2-CE1 3.81Å; L65-F168 HydrophobicContact CD2-CZ 4.35Å; L65-F168 HydrophobicContact CG-CE1 4.49Å; L68-F168 HydrophobicContact CD1-CD1 3.47Å; L68-F168 VanDerWaalsContact CD1-CD1 3.47Å; L68-F168 HydrophobicContact CD1-CE1 4.05Å; L68-F168 HydrophobicContact CD1-CG 4.47Å; M161-F168 HydrophobicContact CG-CD2 3.72Å; M161-F168 HydrophobicContact CG-CE2 3.58Å; M161-F168 WeakPolarHBondContact O-CD2 3.44Å; M161-F168 HydrophobicContact SD-CE2 4.08Å; F168-M170 HydrophobicContact CB-SD 4.36Å; F168-P351 HydrophobicContact CD1-CB 4.32Å; F168-P351 HydrophobicContact CD1-CG 4.46Å; F168-I356 HydrophobicContact CD1-CD1 3.95Å; F168-I356 HydrophobicContact CD2-CD1 4.48Å; F168-I356 HydrophobicContact CE1-CD1 3.86Å; F168-I356 HydrophobicContact CE2-CD1 4.38Å; F168-I356 HydrophobicContact CE2-CG1 4.46Å; F168-I356 HydrophobicContact CG-CD1 4.32Å; F168-I356 HydrophobicContact CZ-CD1 4.1Å; F168-I356 HydrophobicContact CZ-CG2 4.47Å
169G83.1Confident79.9Confident1 Ų141.2 Ų41.21%0.0120%0.195CC..  trans72.527175.100000114.6W348 T349G169-W348 CarbonylContact O-C 3.59Å; G169-W348 VanDerWaalsContact O-CA 3.29Å; G169-W348 WeakPolarHBondContact O-CA 3.33Å; G169-T349 WeakPolarHBondContact CA-OG1 3.43Å; G169-T349 PolarHBondContact O-N 2.98Å
170M87.6Confident80.7Confident2 Ų234.3 Ų34.31%0.0117%0.169CC..  trans-104.9136.6-176.3-70.6169.2143.600110.8L64 L67 L68 A74 F76 L162 F168L64-M170 HydrophobicContact CD2-SD 4.42Å; L67-M170 HydrophobicContact CB-CE 4.08Å; L68-M170 HydrophobicContact CD1-CE 4.43Å; L68-M170 HydrophobicContact CD2-CE 3.58Å; L68-M170 HydrophobicContact CG-CE 3.59Å; L68-M170 HydrophobicContact CG-SD 4.47Å; A74-M170 HydrophobicContact CB-CE 4.27Å; F76-M170 HydrophobicContact CD2-CB 4.07Å; F76-M170 HydrophobicContact CE2-CB 3.75Å; F76-M170 HydrophobicContact CE2-CG 4.17Å; F76-M170 HydrophobicContact CE2-SD 3.55Å; F76-M170 VanDerWaalsContact CE2-SD 3.55Å; F76-M170 HydrophobicContact CZ-SD 4.05Å; L162-M170 VanDerWaalsContact O-O 3.05Å; F168-M170 HydrophobicContact CB-SD 4.36Å
171P90.3Very high81.6Confident6 Ų629.2 Ų29.24%0.03915%0.148CC..  trans-69.6144.5178.928.2-34000111.6A74 I75 F76 L346 W348A74-P171 WeakPolarHBondContact O-CD 3.36Å; I75-P171 HydrophobicContact CB-CG 4.38Å; I75-P171 HydrophobicContact CG1-CB 4.47Å; I75-P171 HydrophobicContact CG1-CG 3.61Å; F76-P171 PolarHBondContact N-O 3.33Å; P171-L346 HydrophobicContact CB-CB 4.41Å; P171-L346 HydrophobicContact CB-CD2 3.9Å; P171-W348 HydrophobicContact CG-CD2 4.33Å; P171-W348 HydrophobicContact CG-CZ2 3.99Å
172V88.5Confident82.6Confident48 Ų4829.2 Ų29.229%0.29115%0.147SC..EExtended strand (participates in β ladder)trans-124.3129.2178.1170.70000108.4F76 F78 L162F76-V172 HydrophobicContact CB-CG2 4.32Å; F76-V172 CarbonylContact O-C 3.57Å; F76-V172 WeakPolarHBondContact O-CA 3.4Å; F78-V172 HydrophobicContact CD2-CG1 3.42Å; F78-V172 VanDerWaalsContact CD2-CG1 3.42Å; F78-V172 HydrophobicContact CE2-CB 4.43Å; F78-V172 HydrophobicContact CE2-CG1 3.28Å; F78-V172 HydrophobicContact CE2-CG2 4.3Å; L162-V172 HydrophobicContact CB-CG2 3.59Å; L162-V172 HydrophobicContact CD1-CG2 4.18Å; L162-V172 HydrophobicContact CG-CG2 4.5Å
173V89.6Confident83.6Confident11 Ų1129.1 Ų29.17%0.06715%0.147CC..EExtended strand (participates in β ladder)trans-113.3137.4173.1176.70000108.2I75 F76 V77 F78 Q182 V341 L346I75-V173 HydrophobicContact CG2-CG2 3.79Å; F76-V173 PolarHBondContact O-N 3.37Å; V77-V173 WeakPolarHBondContact CA-O 3.22Å; F78-V173 PolarHBondContact N-O 2.96Å; V173-Q182 HydrophobicContact CG1-CG 4.06Å; V173-V341 HydrophobicContact CG1-CG2 3.84Å; V173-V341 HydrophobicContact CG2-CG1 4.27Å; V173-V341 HydrophobicContact CG2-CG2 4.44Å; V173-L346 HydrophobicContact CG2-CD2 3.97Å
174K87.6Confident85Confident120 Ų12027.7 Ų27.752%0.52214%0.137SC..EExtended strand (participates in β ladder)trans-103.5117.7170.1-174.6-179.2178.5-174.70107.3
175G86.1Confident86.8Confident1 Ų124.8 Ų24.81%0.0113%0.126CC..  trans-72.4159.8172.800000111.1F78 G80F78-G175 PolarHBondContact O-N 2.84Å; G80-G175 WeakPolarHBondContact CA-O 3.49Å; G80-G175 PolarHBondContact N-O 3.24Å
176P88.5Confident88.6Confident10 Ų1018.3 Ų18.37%0.0659%0.092CC..SBendtrans-75.4-34176.128.6-33.8000112.3G80 E82 R337G80-P176 WeakPolarHBondContact CA-O 3.14Å; E82-P176 WeakPolarHBondContact CB-O 3.22Å; E82-P176 PolarHBondContact N-O 2.75Å; P176-R337 HydrophobicContact CB-CG 4.02Å; P176-R337 HydrophobicContact CG-CB 4.33Å; P176-R337 HydrophobicContact CG-CG 3.87Å; P176-R337 VanDerWaalsContact CG-O 3.31Å; P176-R337 WeakPolarHBondContact CG-O 3.48Å
177A87.5Confident90.1Very high14 Ų1413.9 Ų13.912%0.1167%0.071CC..SBendtrans-131.5-100.6-179.900000111.3G80 E82G80-A177 PolarHBondContact N-O 3.12Å; E82-A177 WeakPolarHBondContact O-CB 3.49Å
178E89.5Confident91.1Very high12 Ų1218.5 Ų18.56%0.0569%0.092CC..  trans-86.7133-177.8-57.6-71.6156.300111.5K87 E180 A181 Q182 F205 Y251K87-E178 WeakPolarHBondContact CD-OE1 3.13Å; K87-E178 IonicContact NZ-OE1 3.25Å; K87-E178 IonicContact NZ-OE2 3.21Å; K87-E178 PolarHBondContact NZ-OE2 3.17Å; E178-E180 VanDerWaalsContact C-N 3.33Å; E178-E180 PolarHBondContact O-N 3.36Å; E178-A181 HydrophobicContact CB-CB 4.22Å; E178-A181 PolarHBondContact O-N 3.17Å; E178-Q182 PolarHBondContact O-N 3.44Å; E178-F205 HydrophobicContact CB-CE2 4.38Å; E178-F205 HydrophobicContact CB-CZ 4.2Å; E178-F205 HydrophobicContact CG-CZ 4.02Å; E178-Y251 VanDerWaalsContact CG-OH 3.22Å; E178-Y251 WeakPolarHBondContact CG-OH 3.4Å; E178-Y251 PolarHBondContact OE1-OH 2.92Å
179A92Very high91.6Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-60.5-40.9176.700000112.1D30 V77 D79 A181 Q182 C183D30-A179 WeakPolarHBondContact OD1-CB 3.32Å; V77-A179 HydrophobicContact CB-CB 4.31Å; V77-A179 HydrophobicContact CG1-CB 3.78Å; D79-A179 WeakPolarHBondContact OD1-CB 3.14Å; D79-A179 PolarHBondContact OD1-N 3.27Å; A179-A181 VanDerWaalsContact C-N 3.29Å; A179-A181 PolarHBondContact O-N 3.31Å; A179-Q182 CarbonylContact O-C 3.6Å; A179-Q182 WeakPolarHBondContact O-CB 3.31Å; A179-Q182 PolarHBondContact O-N 3.12Å; A179-Q182 VanDerWaalsContact O-N 3.11Å; A179-C183 PolarHBondContact O-N 2.81Å; A179-C183 PolarHBondContact O-SG 3.44Å
180E93Very high92Very high6 Ų628.3 Ų28.33%0.02814%0.144CC..Hα-helixtrans-61.3-36.5179.3-64.4-64.8-176.100112.8E178 C183 A184 T197 D199 I202 F205E178-E180 VanDerWaalsContact C-N 3.33Å; E178-E180 PolarHBondContact O-N 3.36Å; E180-C183 WeakPolarHBondContact O-CB 3.38Å; E180-C183 PolarHBondContact O-N 3.49Å; E180-A184 WeakPolarHBondContact O-CB 3.33Å; E180-A184 PolarHBondContact O-N 3.03Å; E180-T197 WeakPolarHBondContact OE1-CB 3.26Å; E180-T197 PolarHBondContact OE1-OG1 3.14Å; E180-D199 HydrophobicContact CG-CB 4.45Å; E180-D199 WeakPolarHBondContact OE1-CB 3.46Å; E180-I202 HydrophobicContact CB-CD1 4.29Å; E180-I202 VanDerWaalsContact O-CD1 3.23Å; E180-I202 WeakPolarHBondContact O-CD1 3.47Å; E180-I202 WeakPolarHBondContact OE2-CD1 3.36Å; E180-F205 HydrophobicContact CB-CD2 3.78Å; E180-F205 HydrophobicContact CB-CE2 4.13Å
181A94.4Very high92.3Very high3 Ų328.8 Ų28.83%0.02515%0.146CC..Hα-helixtrans-64.8-43.5174.700000111.7E178 A179 A184 W185 F205 P336 V338E178-A181 HydrophobicContact CB-CB 4.22Å; E178-A181 PolarHBondContact O-N 3.17Å; A179-A181 VanDerWaalsContact C-N 3.29Å; A179-A181 PolarHBondContact O-N 3.31Å; A181-A184 PolarHBondContact O-N 3Å; A181-W185 PolarHBondContact O-N 3.46Å; A181-F205 HydrophobicContact CB-CB 4.29Å; A181-F205 HydrophobicContact CB-CD1 3.66Å; A181-F205 HydrophobicContact CB-CD2 4.32Å; A181-F205 HydrophobicContact CB-CE1 4.01Å; A181-F205 HydrophobicContact CB-CG 3.83Å; A181-F205 HydrophobicContact CB-CZ 4.48Å; A181-P336 HydrophobicContact CB-CB 3.61Å; A181-P336 HydrophobicContact CB-CG 3.89Å; A181-V338 HydrophobicContact CB-CG1 3.91Å; A181-V338 WeakPolarHBondContact O-CG1 2.97Å
182Q95.2Very high92.5Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-66.2-38.6175.9-173.867.645.300111.5V77 V173 E178 A179 W185 L186 D339V77-Q182 HydrophobicContact CG1-CB 3.78Å; V77-Q182 HydrophobicContact CG1-CG 3.87Å; V173-Q182 HydrophobicContact CG1-CG 4.06Å; E178-Q182 PolarHBondContact O-N 3.44Å; A179-Q182 CarbonylContact O-C 3.6Å; A179-Q182 WeakPolarHBondContact O-CB 3.31Å; A179-Q182 PolarHBondContact O-N 3.12Å; A179-Q182 VanDerWaalsContact O-N 3.11Å; Q182-W185 PolarHBondContact O-N 3.25Å; Q182-L186 VanDerWaalsContact O-CG 3.31Å; Q182-L186 WeakPolarHBondContact O-CG 3.37Å; Q182-L186 PolarHBondContact O-N 3.43Å; Q182-D339 PolarHBondContact NE2-O 3.35Å; Q182-D339 PolarHBondContact OE1-O 3.33Å
183C96.2Very high92.8Very high0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-59.7-47.4173.3-72.20000111.9V77 A179 E180 W185 L186 E187 T195 I202V77-C183 VanDerWaalsContact CG2-SG 3.54Å; A179-C183 PolarHBondContact O-N 2.81Å; A179-C183 PolarHBondContact O-SG 3.44Å; E180-C183 WeakPolarHBondContact O-CB 3.38Å; E180-C183 PolarHBondContact O-N 3.49Å; C183-W185 VanDerWaalsContact C-N 3.31Å; C183-W185 PolarHBondContact O-N 3.27Å; C183-L186 PolarHBondContact O-N 3.49Å; C183-E187 PolarHBondContact O-N 3.01Å; C183-E187 VanDerWaalsContact O-N 3.08Å; C183-T195 HydrophobicContact CB-CG2 3.6Å; C183-I202 HydrophobicContact CB-CD1 4.15Å
184A96.2Very high93.2Very high2 Ų229.9 Ų29.92%0.01715%0.147CC..Hα-helixtrans-59.3-42.617600000111.6E180 A181 E187 E188 I202 F205E180-A184 WeakPolarHBondContact O-CB 3.33Å; E180-A184 PolarHBondContact O-N 3.03Å; A181-A184 PolarHBondContact O-N 3Å; A184-E187 PolarHBondContact O-N 3.32Å; A184-E188 WeakPolarHBondContact O-CB 3.45Å; A184-E188 PolarHBondContact O-N 3.04Å; A184-I202 HydrophobicContact CB-CD1 3.93Å; A184-F205 HydrophobicContact CB-CB 4.05Å; A184-F205 WeakPolarHBondContact CB-O 3.4Å
185W96.3Very high93.6Very high42 Ų4224.1 Ų24.116%0.15912%0.123CC..Hα-helixtrans-64-41.3177.1-173.988.9000112.7A181 Q182 C183 E187 E188 N189 I191 V338 Q340 V341A181-W185 PolarHBondContact O-N 3.46Å; Q182-W185 PolarHBondContact O-N 3.25Å; C183-W185 VanDerWaalsContact C-N 3.31Å; C183-W185 PolarHBondContact O-N 3.27Å; W185-E187 VanDerWaalsContact C-N 3.29Å; W185-E187 PolarHBondContact O-N 3.45Å; W185-E188 PolarHBondContact O-N 2.73Å; W185-N189 VanDerWaalsContact CD2-ND2 3.34Å; W185-N189 HydrophobicContact CH2-CB 4.4Å; W185-N189 WeakPolarHBondContact CZ2-ND2 3.45Å; W185-N189 PolarHBondContact NE1-ND2 3.45Å; W185-N189 PolarHBondContact O-N 3.24Å; W185-N189 PolarHBondContact O-ND2 3.41Å; W185-I191 HydrophobicContact CH2-CD1 4.36Å; W185-I191 HydrophobicContact CZ3-CD1 3.81Å; W185-V338 HydrophobicContact CB-CB 4.16Å; W185-V338 HydrophobicContact CB-CG1 4.17Å; W185-V338 HydrophobicContact CB-CG2 4.18Å; W185-V338 VanDerWaalsContact CD1-CG2 3.47Å; W185-V338 HydrophobicContact CG-CB 4.17Å; W185-V338 HydrophobicContact CG-CG2 3.82Å; W185-Q340 HydrophobicContact CH2-CB 4.13Å; W185-Q340 HydrophobicContact CH2-CG 4.41Å; W185-Q340 HydrophobicContact CZ2-CB 4.1Å; W185-Q340 HydrophobicContact CZ2-CG 3.88Å; W185-V341 VanDerWaalsContact CH2-N 3.34Å; W185-V341 HydrophobicContact CZ3-CB 4.13Å; W185-V341 VanDerWaalsContact CZ3-N 3.35Å
186L95.9Very high94.1Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-61.1-38.5175.2-70.6172.6000111.7I75 V77 Q182 C183 I191 T192 V341I75-L186 HydrophobicContact CG2-CD1 4.08Å; V77-L186 HydrophobicContact CG2-CD1 3.84Å; Q182-L186 VanDerWaalsContact O-CG 3.31Å; Q182-L186 WeakPolarHBondContact O-CG 3.37Å; Q182-L186 PolarHBondContact O-N 3.43Å; C183-L186 PolarHBondContact O-N 3.49Å; L186-I191 HydrophobicContact CD2-CB 4.29Å; L186-I191 HydrophobicContact CD2-CD1 3.84Å; L186-I191 HydrophobicContact CD2-CG2 4.12Å; L186-I191 WeakPolarHBondContact O-CB 3.5Å; L186-I191 PolarHBondContact O-N 3.09Å; L186-T192 HydrophobicContact CB-CG2 4.16Å; L186-T192 PolarHBondContact O-N 2.87Å; L186-T192 VanDerWaalsContact O-N 3.17Å; L186-V341 HydrophobicContact CD2-CB 4.09Å; L186-V341 HydrophobicContact CD2-CG1 4.48Å; L186-V341 HydrophobicContact CD2-CG2 4.35Å
187E95.9Very high94.4Very high1 Ų124 Ų241%0.00512%0.121CC..Hα-helixtrans-71.1-42.8175.5-173.9-178.3-172.400111.4C183 A184 W185 N189 N190 T192 R208 R209C183-E187 PolarHBondContact O-N 3.01Å; C183-E187 VanDerWaalsContact O-N 3.08Å; A184-E187 PolarHBondContact O-N 3.32Å; W185-E187 VanDerWaalsContact C-N 3.29Å; W185-E187 PolarHBondContact O-N 3.45Å; E187-N189 VanDerWaalsContact C-N 3.28Å; E187-N189 PolarHBondContact O-N 3.19Å; E187-N190 PolarHBondContact O-N 2.92Å; E187-T192 WeakPolarHBondContact CA-OG1 3.34Å; E187-T192 PolarHBondContact N-OG1 2.83Å; E187-R208 PolarHBondContact O-NH2 3.26Å; E187-R208 WeakPolarHBondContact OE1-CB 3.44Å; E187-R208 PolarHBondContact OE2-N 3.2Å; E187-R209 WeakPolarHBondContact OE1-CB 3.41Å; E187-R209 WeakPolarHBondContact OE1-CG 3.37Å; E187-R209 PolarHBondContact OE1-N 3.29Å; E187-R209 PolarHBondContact OE2-N 3.21Å
188E94.8Very high94.6Very high110 Ų11025.3 Ų25.351%0.51413%0.126SC..Hα-helixtrans-57.9-41.1179.7-175.1168-152.100111.9A184 W185 N190A184-E188 WeakPolarHBondContact O-CB 3.45Å; A184-E188 PolarHBondContact O-N 3.04Å; W185-E188 PolarHBondContact O-N 2.73Å; E188-N190 PolarHBondContact O-N 3.49Å
189N94.5Very high94.7Very high75 Ų7525.2 Ų25.240%0.40113%0.126SC..THydrogen-bonded Turntrans-83.810.6178.2-69.5-87.7000113.9W185 E187 I191W185-N189 VanDerWaalsContact CD2-ND2 3.34Å; W185-N189 HydrophobicContact CH2-CB 4.4Å; W185-N189 WeakPolarHBondContact CZ2-ND2 3.45Å; W185-N189 PolarHBondContact NE1-ND2 3.45Å; W185-N189 PolarHBondContact O-N 3.24Å; W185-N189 PolarHBondContact O-ND2 3.41Å; E187-N189 VanDerWaalsContact C-N 3.28Å; E187-N189 PolarHBondContact O-N 3.19Å; N189-I191 HydrophobicContact CB-CD1 4.29Å; N189-I191 HydrophobicContact CB-CG1 4.31Å; N189-I191 PolarHBondContact O-N 3.08Å
190N92.7Very high94.8Very high131 Ų13125.2 Ų25.270%0.70113%0.126SC*.THydrogen-bonded Turntrans58.424.1178.7-50.5-60.2000114.6E187 E188 R208E187-N190 PolarHBondContact O-N 2.92Å; E188-N190 PolarHBondContact O-N 3.49Å; N190-R208 PolarHBondContact OD1-NH2 3.34Å
191I93.8Very high94.9Very high12 Ų1225.1 Ų25.16%0.06213%0.126CC..SBendtrans-75.9-37.6172.3-60.6172000109.4K26 I75 W185 L186 N189 V341 D343 L346K26-I191 WeakPolarHBondContact CD-O 3.45Å; I75-I191 HydrophobicContact CD1-CG2 4.19Å; W185-I191 HydrophobicContact CH2-CD1 4.36Å; W185-I191 HydrophobicContact CZ3-CD1 3.81Å; L186-I191 HydrophobicContact CD2-CB 4.29Å; L186-I191 HydrophobicContact CD2-CD1 3.84Å; L186-I191 HydrophobicContact CD2-CG2 4.12Å; L186-I191 WeakPolarHBondContact O-CB 3.5Å; L186-I191 PolarHBondContact O-N 3.09Å; N189-I191 HydrophobicContact CB-CD1 4.29Å; N189-I191 HydrophobicContact CB-CG1 4.31Å; N189-I191 PolarHBondContact O-N 3.08Å; I191-V341 WeakPolarHBondContact CD1-O 3.27Å; I191-D343 HydrophobicContact CG1-CB 4.35Å; I191-D343 HydrophobicContact CG2-CB 4.47Å; I191-L346 HydrophobicContact CG2-CD1 3.46Å; I191-L346 VanDerWaalsContact CG2-CD1 3.46Å
192T95.2Very high95Very high4 Ų425 Ų253%0.02513%0.125CC..  trans-119.2156.3173.361.50000110.8K26 I75 L186 E187K26-T192 WeakPolarHBondContact O-CA 3.37Å; I75-T192 HydrophobicContact CD1-CG2 3.59Å; L186-T192 HydrophobicContact CB-CG2 4.16Å; L186-T192 PolarHBondContact O-N 2.87Å; L186-T192 VanDerWaalsContact O-N 3.17Å; E187-T192 WeakPolarHBondContact CA-OG1 3.34Å; E187-T192 PolarHBondContact N-OG1 2.83Å
193E94.7Very high95Very high84 Ų8425 Ų2539%0.39313%0.125SC..SBendtrans-92.7-9.4179.2-65.3173.7-108.800112.6T25 K26 R209T25-E193 WeakPolarHBondContact CA-OE1 3.21Å; K26-E193 PolarHBondContact N-OE1 3.49Å; K26-E193 PolarHBondContact O-N 3.29Å; E193-R209 WeakPolarHBondContact O-CD 3.38Å; E193-R209 PolarHBondContact O-NH1 2.96Å
194G96.1Very high95Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans169.1178.5177.500000112.2L27 S28 R209L27-G194 WeakPolarHBondContact CA-O 3.49Å; L27-G194 WeakPolarHBondContact CD2-O 3.29Å; S28-G194 PolarHBondContact N-O 2.94Å; S28-G194 PolarHBondContact OG-O 3.41Å; G194-R209 CarbonylContact C-O 3.52Å; G194-R209 VanDerWaalsContact CA-O 3.25Å; G194-R209 WeakPolarHBondContact CA-O 3.38Å
195T97.1Very high95Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-117.8134.7-174.5-54.10000111.2S28 C183 T197 I202 R209 V210 Y211S28-T195 CarbonylContact O-C 3.58Å; S28-T195 WeakPolarHBondContact OG-CA 3.46Å; S28-T195 WeakPolarHBondContact OG-CB 3.26Å; S28-T195 WeakPolarHBondContact OG-CG2 3.3Å; S28-T195 PolarHBondContact OG-OG1 3.48Å; C183-T195 HydrophobicContact CB-CG2 3.6Å; T195-T197 HydrophobicContact CG2-CG2 3.86Å; T195-I202 HydrophobicContact CG2-CD1 4.26Å; T195-I202 HydrophobicContact CG2-CG1 4.4Å; T195-R209 PolarHBondContact N-O 3.42Å; T195-V210 CarbonylContact O-C 3.5Å; T195-V210 WeakPolarHBondContact O-CA 3.13Å; T195-Y211 PolarHBondContact O-N 3.34Å
196I95.7Very high94.9Very high5 Ų524.3 Ų24.33%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-93.2105.4169.5-59.8161.6000107.7L27 S28 V29 D30 L67 I72 Y211 L214 F215L27-I196 HydrophobicContact CB-CD1 3.82Å; L27-I196 HydrophobicContact CB-CG1 4.11Å; L27-I196 HydrophobicContact CD1-CD1 3.69Å; L27-I196 HydrophobicContact CD1-CG1 3.87Å; L27-I196 HydrophobicContact CG-CD1 4.41Å; S28-I196 PolarHBondContact O-N 3.03Å; V29-I196 HydrophobicContact CG2-CB 4.18Å; V29-I196 HydrophobicContact CG2-CD1 3.81Å; V29-I196 HydrophobicContact CG2-CG1 4.49Å; D30-I196 PolarHBondContact N-O 3.22Å; L67-I196 HydrophobicContact CD2-CD1 3.99Å; I72-I196 HydrophobicContact CG2-CD1 4.4Å; I196-Y211 WeakPolarHBondContact CA-O 3.33Å; I196-L214 HydrophobicContact CD1-CD1 3.65Å; I196-L214 HydrophobicContact CG1-CD1 3.85Å; I196-L214 HydrophobicContact CG2-CB 4.03Å; I196-L214 HydrophobicContact CG2-CD1 4.21Å; I196-F215 HydrophobicContact CG2-CE2 4.09Å
197T94.6Very high94.9Very high4 Ų424.3 Ų24.33%0.02513%0.129CC..  trans-154.3150.4177.5178.40000111I33 E180 T195 D199 I202 V210 Y211 R212I33-T197 WeakPolarHBondContact CD1-OG1 3.49Å; E180-T197 WeakPolarHBondContact OE1-CB 3.26Å; E180-T197 PolarHBondContact OE1-OG1 3.14Å; T195-T197 HydrophobicContact CG2-CG2 3.86Å; T197-D199 PolarHBondContact OG1-N 3.44Å; T197-I202 HydrophobicContact CG2-CB 3.96Å; T197-I202 HydrophobicContact CG2-CG1 4.13Å; T197-I202 HydrophobicContact CG2-CG2 3.82Å; T197-V210 HydrophobicContact CG2-CG1 3.72Å; T197-Y211 PolarHBondContact N-O 3.28Å; T197-R212 WeakPolarHBondContact O-CG 3.39Å
198D91.9Very high94.9Very high41 Ų4128.9 Ų28.922%0.21915%0.146CC..SBendtrans-102.3-0.9168.6-71.3-34.7000112.2W7 H213W7-D198 PolarHBondContact NE1-O 3.19Å; D198-H213 IonicContact OD1-CE1 3.34Å; D198-H213 IonicContact OD1-CG 2.57Å; D198-H213 PolarHBondContact OD1-N 2.96Å; D198-H213 IonicContact OD1-ND1 3.71Å; D198-H213 PolarHBondContact OD1-ND1 2.92Å; D198-H213 IonicContact OD2-ND1 2.63Å
199D92.9Very high95Very high10 Ų1028 Ų285%0.05314%0.138CC..  trans-83.4131.2173.7-158.8-37.7000110.3M1 G2 W7 I33 E180 T197 D201 I202M1-D199 WeakPolarHBondContact CB-OD2 3.21Å; G2-D199 WeakPolarHBondContact CA-OD1 3.32Å; G2-D199 PolarHBondContact N-OD1 3.25Å; W7-D199 WeakPolarHBondContact CZ2-O 3.3Å; I33-D199 HydrophobicContact CD1-CB 3.67Å; E180-D199 HydrophobicContact CG-CB 4.45Å; E180-D199 WeakPolarHBondContact OE1-CB 3.46Å; T197-D199 PolarHBondContact OG1-N 3.44Å; D199-D201 PolarHBondContact OD1-N 3.48Å; D199-I202 VanDerWaalsContact O-CG2 3.26Å; D199-I202 WeakPolarHBondContact O-CG2 3.24Å
200S94.5Very high95.1Very high0 Ų024.4 Ų24.40%012%0.119CC..G310 helixtrans-82.1-12.4179.856.90000114M1 V3 I202 W203M1-S200 PolarHBondContact O-N 2.93Å; M1-S200 PolarHBondContact O-OG 3.43Å; V3-S200 PolarHBondContact N-OG 2.65Å; V3-S200 PolarHBondContact O-OG 3.3Å; S200-I202 PolarHBondContact O-N 3.22Å; S200-W203 PolarHBondContact O-N 2.88Å
201D94Very high95.3Very high4 Ų418.6 Ų18.62%0.0219%0.087CC..G310 helixtrans-66.9-17.6-179.2-765.7000112.5G2 V3 D199 W203 L204 F205 F333G2-D201 WeakPolarHBondContact CA-OD1 3.36Å; V3-D201 WeakPolarHBondContact CG2-OD1 3.35Å; V3-D201 PolarHBondContact N-OD1 3.08Å; D199-D201 PolarHBondContact OD1-N 3.48Å; D201-W203 PolarHBondContact O-N 3.45Å; D201-W203 VanDerWaalsContact O-N 3.1Å; D201-L204 WeakPolarHBondContact O-CA 3.47Å; D201-L204 VanDerWaalsContact O-CB 3.3Å; D201-L204 WeakPolarHBondContact O-CB 3.45Å; D201-L204 PolarHBondContact O-N 3.33Å; D201-F205 HydrophobicContact CB-CD2 4.5Å; D201-F205 HydrophobicContact CB-CE2 4.15Å; D201-F205 VanDerWaalsContact O-CD2 3.24Å; D201-F205 WeakPolarHBondContact O-CD2 3.41Å; D201-F205 PolarHBondContact O-N 3.02Å; D201-F205 VanDerWaalsContact O-N 3.16Å; D201-F333 HydrophobicContact CB-CE1 4.49Å
202I95.8Very high95.3Very high0 Ų019.1 Ų19.10%09%0.088CC..G310 helixtrans-49.7-35.1170.4-172.752.7000113.1E180 C183 A184 T195 T197 D199 S200 L204 F205 G206 G207 V210E180-I202 HydrophobicContact CB-CD1 4.29Å; E180-I202 VanDerWaalsContact O-CD1 3.23Å; E180-I202 WeakPolarHBondContact O-CD1 3.47Å; E180-I202 WeakPolarHBondContact OE2-CD1 3.36Å; C183-I202 HydrophobicContact CB-CD1 4.15Å; A184-I202 HydrophobicContact CB-CD1 3.93Å; T195-I202 HydrophobicContact CG2-CD1 4.26Å; T195-I202 HydrophobicContact CG2-CG1 4.4Å; T197-I202 HydrophobicContact CG2-CB 3.96Å; T197-I202 HydrophobicContact CG2-CG1 4.13Å; T197-I202 HydrophobicContact CG2-CG2 3.82Å; D199-I202 VanDerWaalsContact O-CG2 3.26Å; D199-I202 WeakPolarHBondContact O-CG2 3.24Å; S200-I202 PolarHBondContact O-N 3.22Å; I202-L204 VanDerWaalsContact C-N 3.35Å; I202-F205 PolarHBondContact O-N 3.48Å; I202-G206 PolarHBondContact O-N 3.1Å; I202-G207 PolarHBondContact O-N 3.26Å; I202-V210 HydrophobicContact CG1-CG2 4Å; I202-V210 HydrophobicContact CG2-CG1 4.33Å; I202-V210 HydrophobicContact CG2-CG2 3.64Å
203W96.6Very high95Very high1 Ų122 Ų220%0.00410%0.101CC..G310 helixtrans-69.4-35177.7-59.1115.6000112.4W7 S200 D201 F205 G206 G207 V210 F224 M226 I229 L240W7-W203 AromaticContact CH2-CE2 3.75Å; W7-W203 AromaticContact CH2-CZ2 3.92Å; W7-W203 HydrophobicContact CH2-CZ2 3.92Å; W7-W203 AromaticContact CH2-NE1 3.04Å; W7-W203 AromaticContact CZ2-NE1 3.91Å; W7-W203 AromaticContact CZ3-CE2 3.91Å; W7-W203 AromaticContact CZ3-CZ2 3.95Å; W7-W203 HydrophobicContact CZ3-CZ2 3.95Å; W7-W203 AromaticContact CZ3-NE1 3.23Å; S200-W203 PolarHBondContact O-N 2.88Å; D201-W203 PolarHBondContact O-N 3.45Å; D201-W203 VanDerWaalsContact O-N 3.1Å; W203-F205 VanDerWaalsContact C-N 3.32Å; W203-G206 PolarHBondContact O-N 2.95Å; W203-G207 VanDerWaalsContact CE3-O 3.24Å; W203-G207 WeakPolarHBondContact CZ3-O 3.17Å; W203-V210 HydrophobicContact CD2-CG2 4.36Å; W203-V210 HydrophobicContact CE3-CG2 4.31Å; W203-V210 HydrophobicContact CH2-CB 3.75Å; W203-V210 HydrophobicContact CH2-CG2 3.42Å; W203-V210 VanDerWaalsContact CH2-CG2 3.42Å; W203-V210 HydrophobicContact CZ2-CB 3.61Å; W203-V210 HydrophobicContact CZ2-CG2 3.46Å; W203-V210 VanDerWaalsContact CZ2-CG2 3.46Å; W203-V210 HydrophobicContact CZ3-CG2 3.87Å; W203-F224 HydrophobicContact CH2-CB 3.56Å; W203-F224 HydrophobicContact CZ2-CB 3.37Å; W203-F224 HydrophobicContact CZ2-CG 4.14Å; W203-M226 HydrophobicContact CE3-CB 4.3Å; W203-M226 HydrophobicContact CE3-SD 4.06Å; W203-M226 HydrophobicContact CZ3-CB 3.91Å; W203-M226 HydrophobicContact CZ3-SD 4.5Å; W203-I229 HydrophobicContact CD2-CD1 4.13Å; W203-I229 HydrophobicContact CE3-CD1 4.12Å; W203-I229 HydrophobicContact CH2-CD1 3.79Å; W203-I229 HydrophobicContact CZ2-CD1 3.78Å; W203-I229 HydrophobicContact CZ3-CD1 3.97Å; W203-L240 HydrophobicContact CB-CD1 3.98Å
204L96.2Very high94.8Very high0 Ų018.1 Ų18.10%08%0.083CC..THydrogen-bonded Turntrans-69.2-36.3179-50.5-174.4000110.7V3 D201 I202 G206 R237 L240 V241 A244 F333V3-L204 HydrophobicContact CG2-CD1 3.65Å; V3-L204 HydrophobicContact CG2-CD2 4.29Å; V3-L204 HydrophobicContact CG2-CG 4.18Å; D201-L204 WeakPolarHBondContact O-CA 3.47Å; D201-L204 VanDerWaalsContact O-CB 3.3Å; D201-L204 WeakPolarHBondContact O-CB 3.45Å; D201-L204 PolarHBondContact O-N 3.33Å; I202-L204 VanDerWaalsContact C-N 3.35Å; L204-G206 PolarHBondContact O-N 3.37Å; L204-R237 PolarHBondContact O-NE 3.48Å; L204-L240 HydrophobicContact CD2-CB 3.92Å; L204-L240 WeakPolarHBondContact CD2-O 3.38Å; L204-V241 HydrophobicContact CB-CG2 4.22Å; L204-V241 HydrophobicContact CD2-CG2 4.29Å; L204-A244 HydrophobicContact CD1-CB 3.56Å; L204-A244 HydrophobicContact CD2-CB 3.9Å; L204-A244 HydrophobicContact CG-CB 4.39Å; L204-F333 HydrophobicContact CB-CB 4.22Å; L204-F333 HydrophobicContact CB-CD1 3.39Å; L204-F333 HydrophobicContact CB-CE1 3.8Å; L204-F333 HydrophobicContact CB-CG 3.82Å; L204-F333 HydrophobicContact CD1-CD1 3.89Å; L204-F333 HydrophobicContact CD1-CD2 4.24Å; L204-F333 HydrophobicContact CD1-CE1 3.48Å; L204-F333 VanDerWaalsContact CD1-CE1 3.48Å; L204-F333 HydrophobicContact CD1-CE2 3.85Å; L204-F333 HydrophobicContact CD1-CG 4.25Å; L204-F333 HydrophobicContact CD1-CZ 3.45Å; L204-F333 VanDerWaalsContact CD1-CZ 3.45Å; L204-F333 HydrophobicContact CG-CD1 4.31Å; L204-F333 HydrophobicContact CG-CE1 4.28Å
205F95.6Very high94.3Very high7 Ų720.2 Ų20.23%0.0319%0.092CC..THydrogen-bonded Turntrans-77.2-4.8173.5-64-60.5000114.5E178 E180 A181 A184 D201 I202 W203 R237 Y251 F333 P336E178-F205 HydrophobicContact CB-CE2 4.38Å; E178-F205 HydrophobicContact CB-CZ 4.2Å; E178-F205 HydrophobicContact CG-CZ 4.02Å; E180-F205 HydrophobicContact CB-CD2 3.78Å; E180-F205 HydrophobicContact CB-CE2 4.13Å; A181-F205 HydrophobicContact CB-CB 4.29Å; A181-F205 HydrophobicContact CB-CD1 3.66Å; A181-F205 HydrophobicContact CB-CD2 4.32Å; A181-F205 HydrophobicContact CB-CE1 4.01Å; A181-F205 HydrophobicContact CB-CG 3.83Å; A181-F205 HydrophobicContact CB-CZ 4.48Å; A184-F205 HydrophobicContact CB-CB 4.05Å; A184-F205 WeakPolarHBondContact CB-O 3.4Å; D201-F205 HydrophobicContact CB-CD2 4.5Å; D201-F205 HydrophobicContact CB-CE2 4.15Å; D201-F205 VanDerWaalsContact O-CD2 3.24Å; D201-F205 WeakPolarHBondContact O-CD2 3.41Å; D201-F205 PolarHBondContact O-N 3.02Å; D201-F205 VanDerWaalsContact O-N 3.16Å; I202-F205 PolarHBondContact O-N 3.48Å; W203-F205 VanDerWaalsContact C-N 3.32Å; F205-R237 VanDerWaalsContact C-CZ 3.49Å; F205-R237 VanDerWaalsContact O-CZ 3.26Å; F205-R237 PolarHBondContact O-NH2 2.93Å; F205-R237 VanDerWaalsContact O-NH2 3.07Å; F205-Y251 HydrophobicContact CZ-CE2 4.37Å; F205-F333 HydrophobicContact CD1-CD1 4.01Å; F205-F333 AromaticContact CE1-CD1 3.59Å; F205-F333 HydrophobicContact CE1-CD1 3.59Å; F205-F333 HydrophobicContact CE1-CE1 4.12Å; F205-F333 HydrophobicContact CE2-CD1 4.17Å; F205-F333 HydrophobicContact CE2-CE1 4.04Å; F205-F333 HydrophobicContact CG-CD1 4.48Å; F205-F333 AromaticContact CZ-CD1 3.68Å; F205-F333 HydrophobicContact CZ-CD1 3.68Å; F205-F333 AromaticContact CZ-CE1 3.71Å; F205-F333 HydrophobicContact CZ-CE1 3.71Å; F205-P336 HydrophobicContact CD1-CB 3.83Å; F205-P336 HydrophobicContact CD1-CG 3.93Å; F205-P336 HydrophobicContact CE1-CB 3.95Å
206G95.2Very high93.6Very high21 Ų2123.6 Ų23.622%0.21611%0.111CC..THydrogen-bonded Turntrans97.417.4173.100000115.6I202 W203 L204I202-G206 PolarHBondContact O-N 3.1Å; W203-G206 PolarHBondContact O-N 2.95Å; L204-G206 PolarHBondContact O-N 3.37Å
207G95.8Very high92.8Very high1 Ų131.4 Ų31.41%0.0115%0.15CC..  trans-55.4140.6169.500000111.7I202 W203I202-G207 PolarHBondContact O-N 3.26Å; W203-G207 VanDerWaalsContact CE3-O 3.24Å; W203-G207 WeakPolarHBondContact CZ3-O 3.17Å
208R95.9Very high92.3Very high97 Ų9737.8 Ų37.837%0.36618%0.178SC..  trans-109.8-33.5-175.5-54.2-176.8-68.9-154.61112.2E187 N190 D225 M226E187-R208 PolarHBondContact O-NH2 3.26Å; E187-R208 WeakPolarHBondContact OE1-CB 3.44Å; E187-R208 PolarHBondContact OE2-N 3.2Å; N190-R208 PolarHBondContact OD1-NH2 3.34Å; R208-D225 CarbonylContact O-C 3.55Å; R208-D225 WeakPolarHBondContact O-CA 3.34Å; R208-M226 HydrophobicContact CB-CB 4.44Å; R208-M226 PolarHBondContact O-N 3.41Å
209R96.7Very high91.9Very high91 Ų9143.1 Ų43.134%0.34320%0.199SC..EExtended strand (participates in β ladder)trans-132.8121.9177.2-56-166.2-167.699.8-2110.2E187 E193 G194 T195 F224 D225E187-R209 WeakPolarHBondContact OE1-CB 3.41Å; E187-R209 WeakPolarHBondContact OE1-CG 3.37Å; E187-R209 PolarHBondContact OE1-N 3.29Å; E187-R209 PolarHBondContact OE2-N 3.21Å; E193-R209 WeakPolarHBondContact O-CD 3.38Å; E193-R209 PolarHBondContact O-NH1 2.96Å; G194-R209 CarbonylContact C-O 3.52Å; G194-R209 VanDerWaalsContact CA-O 3.25Å; G194-R209 WeakPolarHBondContact CA-O 3.38Å; T195-R209 PolarHBondContact N-O 3.42Å; R209-F224 WeakPolarHBondContact CA-O 3.46Å; R209-D225 WeakPolarHBondContact CD-OD1 3.34Å; R209-D225 WeakPolarHBondContact CG-OD1 3.28Å; R209-D225 IonicContact NE-OD1 2.88Å
210V97Very high91.8Very high0 Ų045.1 Ų45.10%021%0.212CC..EExtended strand (participates in β ladder)trans-123.8134.8-176.8-178.20000110.5W7 T195 T197 I202 W203 R212 R223 F224W7-V210 HydrophobicContact CH2-CB 4.45Å; W7-V210 HydrophobicContact CH2-CG1 3.91Å; W7-V210 HydrophobicContact CZ2-CG1 4.46Å; T195-V210 CarbonylContact O-C 3.5Å; T195-V210 WeakPolarHBondContact O-CA 3.13Å; T197-V210 HydrophobicContact CG2-CG1 3.72Å; I202-V210 HydrophobicContact CG1-CG2 4Å; I202-V210 HydrophobicContact CG2-CG1 4.33Å; I202-V210 HydrophobicContact CG2-CG2 3.64Å; W203-V210 HydrophobicContact CD2-CG2 4.36Å; W203-V210 HydrophobicContact CE3-CG2 4.31Å; W203-V210 HydrophobicContact CH2-CB 3.75Å; W203-V210 HydrophobicContact CH2-CG2 3.42Å; W203-V210 VanDerWaalsContact CH2-CG2 3.42Å; W203-V210 HydrophobicContact CZ2-CB 3.61Å; W203-V210 HydrophobicContact CZ2-CG2 3.46Å; W203-V210 VanDerWaalsContact CZ2-CG2 3.46Å; W203-V210 HydrophobicContact CZ3-CG2 3.87Å; V210-R212 HydrophobicContact CG1-CG 4.09Å; V210-R223 CarbonylContact O-C 3.48Å; V210-R223 WeakPolarHBondContact O-CA 2.89Å; V210-F224 PolarHBondContact N-O 2.83Å; V210-F224 PolarHBondContact O-N 3.17Å
211Y95.7Very high91.7Very high9 Ų945.1 Ų45.14%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-115.2107.7179.9-63.8-81.2000109.9I17 L22 L27 T195 I196 T197 V221 R223I17-Y211 HydrophobicContact CD1-CD1 3.84Å; I17-Y211 HydrophobicContact CD1-CE1 3.53Å; L22-Y211 HydrophobicContact CD1-CD1 4.34Å; L22-Y211 HydrophobicContact CD2-CD1 4.13Å; L22-Y211 HydrophobicContact CD2-CE1 3.56Å; L27-Y211 HydrophobicContact CD1-CD2 4.12Å; L27-Y211 HydrophobicContact CD1-CE2 4.25Å; L27-Y211 HydrophobicContact CD2-CD2 3.83Å; L27-Y211 HydrophobicContact CD2-CE2 3.41Å; L27-Y211 VanDerWaalsContact CD2-CE2 3.41Å; T195-Y211 PolarHBondContact O-N 3.34Å; I196-Y211 WeakPolarHBondContact CA-O 3.33Å; T197-Y211 PolarHBondContact N-O 3.28Å; Y211-V221 HydrophobicContact CD1-CG1 4.23Å; Y211-R223 HydrophobicContact CD1-CB 4.11Å; Y211-R223 HydrophobicContact CD1-CG 4.27Å; Y211-R223 HydrophobicContact CE1-CB 4.05Å; Y211-R223 HydrophobicContact CE1-CG 3.84Å
212R93.7Very high91.6Very high22 Ų2246.4 Ų46.48%0.08322%0.217CC..EExtended strand (participates in β ladder)trans-101.2155.7-177.2-61.7-177.677-142.5-2.8112.4W7 T197 V210 L214 V221 E222 F224W7-R212 VanDerWaalsContact CD1-CZ 3.49Å; W7-R212 VanDerWaalsContact CE3-CD 3.46Å; W7-R212 VanDerWaalsContact CH2-CD 3.42Å; W7-R212 HydrophobicContact CH2-CG 3.99Å; W7-R212 VanDerWaalsContact CZ2-CD 3.5Å; W7-R212 HydrophobicContact CZ2-CG 4.08Å; W7-R212 VanDerWaalsContact CZ3-CD 3.41Å; W7-R212 HydrophobicContact CZ3-CG 4.34Å; T197-R212 WeakPolarHBondContact O-CG 3.39Å; V210-R212 HydrophobicContact CG1-CG 4.09Å; R212-L214 PolarHBondContact O-N 3.2Å; R212-L214 VanDerWaalsContact O-N 3.12Å; R212-V221 WeakPolarHBondContact O-CG1 3.35Å; R212-E222 HydrophobicContact CB-CB 4.22Å; R212-E222 PolarHBondContact N-O 2.89Å; R212-E222 IonicContact NH1-OE2 3.88Å; R212-E222 PolarHBondContact O-N 2.89Å; R212-E222 VanDerWaalsContact O-N 3.17Å; R212-F224 HydrophobicContact CG-CD2 4.29Å; R212-F224 HydrophobicContact CG-CE2 4.23Å
213H90.3Very high91.6Very high65 Ų6549.6 Ų49.630%0.30123%0.23SC..  trans57.627.7172.8-57.3-36.4000113.7D198 F215 N216 E222D198-H213 IonicContact OD1-CE1 3.34Å; D198-H213 IonicContact OD1-CG 2.57Å; D198-H213 PolarHBondContact OD1-N 2.96Å; D198-H213 IonicContact OD1-ND1 3.71Å; D198-H213 PolarHBondContact OD1-ND1 2.92Å; D198-H213 IonicContact OD2-ND1 2.63Å; H213-F215 PolarHBondContact O-N 2.92Å; H213-F215 VanDerWaalsContact O-N 3.14Å; H213-N216 HydrophobicContact CB-CB 4.32Å; H213-N216 VanDerWaalsContact O-CB 3.23Å; H213-N216 WeakPolarHBondContact O-CB 3.15Å; H213-N216 PolarHBondContact O-N 3.23Å; H213-E222 IonicContact CD2-OE2 3.76Å
214L89.7Confident91.6Very high2 Ų249.6 Ų49.61%0.0123%0.23CC..THydrogen-bonded Turntrans-58.4-31.2-177.3-167.5143.6000112.6L19 L22 K66 L67 I72 I196 R212 V221L19-L214 HydrophobicContact CD2-CD1 4.33Å; L19-L214 HydrophobicContact CD2-CD2 4.16Å; L19-L214 HydrophobicContact CD2-CG 3.79Å; L22-L214 HydrophobicContact CD1-CD1 3.94Å; K66-L214 WeakPolarHBondContact CE-O 3.39Å; K66-L214 PolarHBondContact NZ-O 2.93Å; L67-L214 HydrophobicContact CD2-CD2 3.88Å; I72-L214 HydrophobicContact CD1-CD1 4.07Å; I196-L214 HydrophobicContact CD1-CD1 3.65Å; I196-L214 HydrophobicContact CG1-CD1 3.85Å; I196-L214 HydrophobicContact CG2-CB 4.03Å; I196-L214 HydrophobicContact CG2-CD1 4.21Å; R212-L214 PolarHBondContact O-N 3.2Å; R212-L214 VanDerWaalsContact O-N 3.12Å; L214-V221 HydrophobicContact CB-CG1 4.14Å; L214-V221 HydrophobicContact CB-CG2 4.48Å; L214-V221 HydrophobicContact CD1-CG1 4.34Å; L214-V221 HydrophobicContact CD1-CG2 4.35Å; L214-V221 HydrophobicContact CG-CG1 4.42Å; L214-V221 HydrophobicContact CG-CG2 4.11Å
215F85.3Confident91.5Very high44 Ų4450.3 Ų50.319%0.19323%0.234CC..THydrogen-bonded Turntrans-96.410.1-179.5-53.7-76.1000114.2W34 R63 K66 L67 I196 H213W34-F215 AromaticContact CE2-CE2 3.54Å; W34-F215 AromaticContact CH2-CE1 3.94Å; W34-F215 HydrophobicContact CH2-CE1 3.94Å; W34-F215 AromaticContact CH2-CE2 3.67Å; W34-F215 HydrophobicContact CH2-CE2 3.67Å; W34-F215 AromaticContact CH2-CZ 3.23Å; W34-F215 HydrophobicContact CH2-CZ 3.23Å; W34-F215 AromaticContact CZ2-CD2 3.94Å; W34-F215 HydrophobicContact CZ2-CD2 3.94Å; W34-F215 HydrophobicContact CZ2-CE1 4.11Å; W34-F215 AromaticContact CZ2-CE2 2.97Å; W34-F215 HydrophobicContact CZ2-CE2 2.97Å; W34-F215 AromaticContact CZ2-CZ 3.05Å; W34-F215 HydrophobicContact CZ2-CZ 3.05Å; W34-F215 HydrophobicContact CZ3-CZ 4.35Å; W34-F215 AromaticContact NE1-CE2 3.91Å; R63-F215 HydrophobicContact CB-CD1 3.67Å; R63-F215 HydrophobicContact CB-CE1 3.61Å; R63-F215 HydrophobicContact CB-CG 4.38Å; R63-F215 HydrophobicContact CB-CZ 4.32Å; R63-F215 HydrophobicContact CG-CB 4.23Å; R63-F215 HydrophobicContact CG-CD1 3.45Å; R63-F215 VanDerWaalsContact CG-CD1 3.45Å; R63-F215 HydrophobicContact CG-CD2 4.49Å; R63-F215 HydrophobicContact CG-CE1 3.93Å; R63-F215 HydrophobicContact CG-CG 3.77Å; R63-F215 WeakPolarHBondContact O-CE1 3.29Å; K66-F215 HydrophobicContact CB-CD1 4.5Å; K66-F215 HydrophobicContact CB-CE1 4.45Å; K66-F215 HydrophobicContact CD-CD1 3.96Å; L67-F215 HydrophobicContact CD1-CZ 4.25Å; L67-F215 HydrophobicContact CD2-CE1 4.26Å; L67-F215 HydrophobicContact CD2-CZ 3.92Å; L67-F215 HydrophobicContact CG-CE1 4.05Å; L67-F215 HydrophobicContact CG-CZ 3.98Å; I196-F215 HydrophobicContact CG2-CE2 4.09Å; H213-F215 PolarHBondContact O-N 2.92Å; H213-F215 VanDerWaalsContact O-N 3.14Å
216N81.8Confident91.5Very high72 Ų7251.1 Ų51.139%0.38524%0.238SC..SBendtrans-60.8158169.1-160-19.4000109.9K66 H213 K218K66-N216 PolarHBondContact NZ-O 3.16Å; H213-N216 HydrophobicContact CB-CB 4.32Å; H213-N216 VanDerWaalsContact O-CB 3.23Å; H213-N216 WeakPolarHBondContact O-CB 3.15Å; H213-N216 PolarHBondContact O-N 3.23Å; N216-K218 PolarHBondContact O-N 2.89Å; N216-K218 VanDerWaalsContact O-O 3.12Å
217I79.5Confident91.4Very high168 Ų16856 Ų5686%0.86226%0.259SS*.SBendtrans-59.9-31.2176.5-60.3170.4000110
218K83.1Confident91.3Very high138 Ų13857.1 Ų57.160%0.627%0.266SS*.SBendtrans-63.6143.8175-58.1-174.5-179.7179.80110.9N216 T220N216-K218 PolarHBondContact O-N 2.89Å; N216-K218 VanDerWaalsContact O-O 3.12Å; K218-T220 PolarHBondContact O-N 3.1Å
219K83.6Confident91.2Very high154 Ų15452.5 Ų52.567%0.6725%0.248SC*.SBendtrans-82.320.8176-62.5-176.2179.5-179.70113.5L19L19-K219 HydrophobicContact CD1-CB 4.45Å; L19-K219 PolarHBondContact N-O 3.46Å
220T90.5Very high91Very high51 Ų5149.3 Ų49.331%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-123.6144.1-175.555.60000109.9I17 K218I17-T220 CarbonylContact O-C 3.46Å; I17-T220 VanDerWaalsContact O-CA 3.24Å; I17-T220 WeakPolarHBondContact O-CA 3.07Å; K218-T220 PolarHBondContact O-N 3.1Å
221V92.6Very high90.7Very high0 Ų054 Ų540%026%0.263CS..EExtended strand (participates in β ladder)trans-116.3140.4178-165.50000108.3L16 I17 L19 L22 Y211 R212 L214 R223L16-V221 WeakPolarHBondContact CA-O 3.46Å; I17-V221 HydrophobicContact CD1-CB 4.47Å; I17-V221 HydrophobicContact CG1-CB 3.97Å; I17-V221 WeakPolarHBondContact CG1-O 3.35Å; I17-V221 PolarHBondContact N-O 3.32Å; I17-V221 PolarHBondContact O-N 3.09Å; L19-V221 HydrophobicContact CD2-CG2 3.18Å; L19-V221 HydrophobicContact CG-CG2 3.68Å; L22-V221 HydrophobicContact CD1-CG2 4.21Å; Y211-V221 HydrophobicContact CD1-CG1 4.23Å; R212-V221 WeakPolarHBondContact O-CG1 3.35Å; L214-V221 HydrophobicContact CB-CG1 4.14Å; L214-V221 HydrophobicContact CB-CG2 4.48Å; L214-V221 HydrophobicContact CD1-CG1 4.34Å; L214-V221 HydrophobicContact CD1-CG2 4.35Å; L214-V221 HydrophobicContact CG-CG1 4.42Å; L214-V221 HydrophobicContact CG-CG2 4.11Å; V221-R223 PolarHBondContact O-N 2.78Å
222E93.6Very high90.4Very high31 Ų3154.8 Ų54.815%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-85112170.5-73.6-175.5167.300108.9Q11 L16 R212 H213 F224Q11-E222 PolarHBondContact NE2-OE1 3.18Å; Q11-E222 VanDerWaalsContact NE2-OE1 3.12Å; L16-E222 HydrophobicContact CD2-CG 3.56Å; R212-E222 HydrophobicContact CB-CB 4.22Å; R212-E222 PolarHBondContact N-O 2.89Å; R212-E222 IonicContact NH1-OE2 3.88Å; R212-E222 PolarHBondContact O-N 2.89Å; R212-E222 VanDerWaalsContact O-N 3.17Å; H213-E222 IonicContact CD2-OE2 3.76Å; E222-F224 HydrophobicContact CB-CE2 3.94Å
223R95Very high90.3Very high68 Ų6853.8 Ų53.826%0.25726%0.264SS..EExtended strand (participates in β ladder)trans-95.4134174.3175.7-178.6163161.82.7109.9S14 R15 I17 V210 Y211 V221 D225S14-R223 CarbonylContact C-O 3.58Å; R15-R223 PolarHBondContact N-O 3.01Å; R15-R223 PolarHBondContact O-N 2.84Å; I17-R223 HydrophobicContact CD1-CB 4.03Å; I17-R223 HydrophobicContact CG1-CB 4.21Å; I17-R223 HydrophobicContact CG2-CB 4.28Å; V210-R223 CarbonylContact O-C 3.48Å; V210-R223 WeakPolarHBondContact O-CA 2.89Å; Y211-R223 HydrophobicContact CD1-CB 4.11Å; Y211-R223 HydrophobicContact CD1-CG 4.27Å; Y211-R223 HydrophobicContact CE1-CB 4.05Å; Y211-R223 HydrophobicContact CE1-CG 3.84Å; V221-R223 PolarHBondContact O-N 2.78Å; R223-D225 IonicContact CZ-OD1 2.93Å; R223-D225 IonicContact CZ-OD2 2.99Å; R223-D225 IonicContact NE-OD1 2.68Å; R223-D225 PolarHBondContact NE-OD1 3.14Å; R223-D225 IonicContact NE-OD2 3.15Å; R223-D225 PolarHBondContact NE-OD2 3.19Å; R223-D225 IonicContact NH2-OD1 3.31Å; R223-D225 PolarHBondContact NH2-OD1 3.12Å; R223-D225 IonicContact NH2-OD2 2.77Å; R223-D225 PolarHBondContact NH2-OD2 3.22Å
224F96.3Very high90.2Very high0 Ų050.7 Ų50.70%025%0.25CS..EExtended strand (participates in β ladder)trans-120.8141.6170.7-69-101000109.3W7 L10 S14 W203 R209 V210 R212 E222W7-F224 HydrophobicContact CE3-CD2 4.5Å; W7-F224 HydrophobicContact CE3-CE1 4.13Å; W7-F224 HydrophobicContact CE3-CE2 4.14Å; W7-F224 AromaticContact CE3-CZ 3.92Å; W7-F224 HydrophobicContact CE3-CZ 3.92Å; W7-F224 HydrophobicContact CZ3-CD1 4.1Å; W7-F224 AromaticContact CZ3-CD2 3.89Å; W7-F224 HydrophobicContact CZ3-CD2 3.89Å; W7-F224 HydrophobicContact CZ3-CE1 4.15Å; W7-F224 AromaticContact CZ3-CE2 3.98Å; W7-F224 HydrophobicContact CZ3-CE2 3.98Å; W7-F224 AromaticContact CZ3-CG 3.96Å; W7-F224 HydrophobicContact CZ3-CG 3.96Å; W7-F224 HydrophobicContact CZ3-CZ 4.08Å; L10-F224 HydrophobicContact CB-CD1 4.44Å; L10-F224 HydrophobicContact CB-CE1 4.05Å; S14-F224 VanDerWaalsContact CB-CE1 3.47Å; W203-F224 HydrophobicContact CH2-CB 3.56Å; W203-F224 HydrophobicContact CZ2-CB 3.37Å; W203-F224 HydrophobicContact CZ2-CG 4.14Å; R209-F224 WeakPolarHBondContact CA-O 3.46Å; V210-F224 PolarHBondContact N-O 2.83Å; V210-F224 PolarHBondContact O-N 3.17Å; R212-F224 HydrophobicContact CG-CD2 4.29Å; R212-F224 HydrophobicContact CG-CE2 4.23Å; E222-F224 HydrophobicContact CB-CE2 3.94Å
225D95.6Very high90.3Very high16 Ų1650.6 Ų50.69%0.08625%0.25CC..EExtended strand (participates in β ladder)trans-124.3129.5175.7-67.5-84.2000109.3R208 R209 R223 N227 T228 I229R208-D225 CarbonylContact O-C 3.55Å; R208-D225 WeakPolarHBondContact O-CA 3.34Å; R209-D225 WeakPolarHBondContact CD-OD1 3.34Å; R209-D225 WeakPolarHBondContact CG-OD1 3.28Å; R209-D225 IonicContact NE-OD1 2.88Å; R223-D225 IonicContact CZ-OD1 2.93Å; R223-D225 IonicContact CZ-OD2 2.99Å; R223-D225 IonicContact NE-OD1 2.68Å; R223-D225 PolarHBondContact NE-OD1 3.14Å; R223-D225 IonicContact NE-OD2 3.15Å; R223-D225 PolarHBondContact NE-OD2 3.19Å; R223-D225 IonicContact NH2-OD1 3.31Å; R223-D225 PolarHBondContact NH2-OD1 3.12Å; R223-D225 IonicContact NH2-OD2 2.77Å; R223-D225 PolarHBondContact NH2-OD2 3.22Å; D225-N227 PolarHBondContact O-N 3.37Å; D225-T228 WeakPolarHBondContact O-CA 3.22Å; D225-T228 WeakPolarHBondContact O-CB 3.19Å; D225-T228 PolarHBondContact O-N 2.86Å; D225-I229 PolarHBondContact O-N 2.96Å
226M95.2Very high90.6Very high23 Ų2350 Ų5011%0.11325%0.249CC..Hα-helixtrans-59.5-35.3-179.6-174.556.9-172.900111.7W203 R208 T228 I229 T230 L235 L240W203-M226 HydrophobicContact CE3-CB 4.3Å; W203-M226 HydrophobicContact CE3-SD 4.06Å; W203-M226 HydrophobicContact CZ3-CB 3.91Å; W203-M226 HydrophobicContact CZ3-SD 4.5Å; R208-M226 HydrophobicContact CB-CB 4.44Å; R208-M226 PolarHBondContact O-N 3.41Å; M226-T228 VanDerWaalsContact C-N 3.29Å; M226-T228 PolarHBondContact O-N 2.9Å; M226-I229 PolarHBondContact O-N 3.17Å; M226-I229 HydrophobicContact SD-CB 4.29Å; M226-I229 HydrophobicContact SD-CD1 4.47Å; M226-I229 HydrophobicContact SD-CG2 4.33Å; M226-T230 PolarHBondContact O-N 2.77Å; M226-T230 PolarHBondContact O-OG1 3.11Å; M226-L235 WeakPolarHBondContact CE-O 3.26Å; M226-L240 HydrophobicContact CE-CD1 3.51Å; M226-L240 HydrophobicContact CE-CG 4.48Å; M226-L240 HydrophobicContact SD-CD1 3.87Å
227N93.4Very high91.1Very high125 Ų12549.6 Ų49.667%0.66824%0.242SC*.Hα-helixtrans-60.1-39.9174.1-70.2-27.5000112.2D225 N231D225-N227 PolarHBondContact O-N 3.37Å; N227-N231 VanDerWaalsContact O-CB 3.28Å; N227-N231 WeakPolarHBondContact O-CB 3.47Å; N227-N231 PolarHBondContact O-N 3.26Å; N227-N231 PolarHBondContact O-ND2 3.41Å; N227-N231 PolarHBondContact O-OD1 3.44Å
228T93.4Very high91.8Very high24 Ų2445 Ų4515%0.14722%0.217CC..Hα-helixtrans-68.2-42.5176.7-55.30000110.3D225 M226 N231 I232D225-T228 WeakPolarHBondContact O-CA 3.22Å; D225-T228 WeakPolarHBondContact O-CB 3.19Å; D225-T228 PolarHBondContact O-N 2.86Å; M226-T228 VanDerWaalsContact C-N 3.29Å; M226-T228 PolarHBondContact O-N 2.9Å; T228-N231 PolarHBondContact O-N 3.2Å; T228-I232 HydrophobicContact CG2-CD1 3.61Å; T228-I232 HydrophobicContact CG2-CG1 4.24Å; T228-I232 WeakPolarHBondContact O-CB 3.29Å; T228-I232 VanDerWaalsContact O-CG1 3.3Å; T228-I232 WeakPolarHBondContact O-CG1 3.5Å; T228-I232 PolarHBondContact O-N 2.85Å
229I93.4Very high92.2Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-59.3-50.8175.6-65.9166.6000110.5L10 S13 W203 D225 M226 N231 I232 Y233L10-I229 HydrophobicContact CD1-CD1 3.95Å; L10-I229 HydrophobicContact CD2-CD1 4.48Å; L10-I229 HydrophobicContact CD2-CG1 4.24Å; L10-I229 HydrophobicContact CD2-CG2 3.8Å; S13-I229 WeakPolarHBondContact OG-CG1 3.21Å; W203-I229 HydrophobicContact CD2-CD1 4.13Å; W203-I229 HydrophobicContact CE3-CD1 4.12Å; W203-I229 HydrophobicContact CH2-CD1 3.79Å; W203-I229 HydrophobicContact CZ2-CD1 3.78Å; W203-I229 HydrophobicContact CZ3-CD1 3.97Å; D225-I229 PolarHBondContact O-N 2.96Å; M226-I229 PolarHBondContact O-N 3.17Å; M226-I229 HydrophobicContact SD-CB 4.29Å; M226-I229 HydrophobicContact SD-CD1 4.47Å; M226-I229 HydrophobicContact SD-CG2 4.33Å; I229-N231 VanDerWaalsContact C-N 3.3Å; I229-N231 PolarHBondContact O-N 2.83Å; I229-I232 PolarHBondContact O-N 2.77Å; I229-Y233 HydrophobicContact CG2-CD2 4.09Å; I229-Y233 WeakPolarHBondContact O-CB 3.41Å; I229-Y233 WeakPolarHBondContact O-CD2 3.36Å; I229-Y233 PolarHBondContact O-N 2.78Å
230T92.5Very high92.8Very high23 Ų2331.4 Ų31.414%0.14116%0.157CC..Hα-helixtrans-59.7-40.4176.8-54.60000111.7M226 G234 L235 V428M226-T230 PolarHBondContact O-N 2.77Å; M226-T230 PolarHBondContact O-OG1 3.11Å; T230-G234 WeakPolarHBondContact O-CA 3.27Å; T230-G234 PolarHBondContact O-N 2.69Å; T230-L235 PolarHBondContact OG1-O 3.24Å; T230-V428 HydrophobicContact CG2-CG1 4.31Å
231N90.1Very high93Very high98 Ų9829 Ų2952%0.52414%0.143SC..Hα-helixtrans-71.5-35.2-179.8-71.8-16.8000113.1N227 T228 I229 K425N227-N231 VanDerWaalsContact O-CB 3.28Å; N227-N231 WeakPolarHBondContact O-CB 3.47Å; N227-N231 PolarHBondContact O-N 3.26Å; N227-N231 PolarHBondContact O-ND2 3.41Å; N227-N231 PolarHBondContact O-OD1 3.44Å; T228-N231 PolarHBondContact O-N 3.2Å; I229-N231 VanDerWaalsContact C-N 3.3Å; I229-N231 PolarHBondContact O-N 2.83Å; N231-K425 WeakPolarHBondContact O-CD 3.46Å; N231-K425 WeakPolarHBondContact O-CE 3.47Å; N231-K425 PolarHBondContact O-NZ 2.93Å
232I90Very high93.1Very high27 Ų2729.2 Ų29.214%0.13814%0.144CC..Hα-helixtrans-82.7-40.9-178.3-68.6179000111.2T228 I229 L413 K425T228-I232 HydrophobicContact CG2-CD1 3.61Å; T228-I232 HydrophobicContact CG2-CG1 4.24Å; T228-I232 WeakPolarHBondContact O-CB 3.29Å; T228-I232 VanDerWaalsContact O-CG1 3.3Å; T228-I232 WeakPolarHBondContact O-CG1 3.5Å; T228-I232 PolarHBondContact O-N 2.85Å; I229-I232 PolarHBondContact O-N 2.77Å; I232-L413 HydrophobicContact CG2-CD1 3.74Å; I232-L413 HydrophobicContact CG2-CD2 4.2Å; I232-L413 HydrophobicContact CG2-CG 4.31Å; I232-K425 WeakPolarHBondContact O-CE 3.48Å; I232-K425 PolarHBondContact O-NZ 3.04Å
233Y91.3Very high93.2Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-109-17.8-172.5-57.7-81.9000114.6F9 L10 P12 I229 L235 L413 V417 T421F9-Y233 HydrophobicContact CD1-CE1 4.44Å; F9-Y233 AromaticContact CE1-CD1 3.69Å; F9-Y233 HydrophobicContact CE1-CD1 3.69Å; F9-Y233 AromaticContact CE1-CE1 3.88Å; F9-Y233 HydrophobicContact CE1-CE1 3.88Å; F9-Y233 HydrophobicContact CE1-CG 4.21Å; F9-Y233 HydrophobicContact CE2-CD1 4.4Å; F9-Y233 HydrophobicContact CE2-CE1 4.26Å; F9-Y233 AromaticContact CZ-CD1 3.56Å; F9-Y233 HydrophobicContact CZ-CD1 3.56Å; F9-Y233 AromaticContact CZ-CE1 3.79Å; F9-Y233 HydrophobicContact CZ-CE1 3.79Å; F9-Y233 HydrophobicContact CZ-CG 4.43Å; F9-Y233 PolarHBondContact O-OH 3.08Å; L10-Y233 HydrophobicContact CD2-CD2 3.91Å; L10-Y233 HydrophobicContact CD2-CE2 3.72Å; P12-Y233 WeakPolarHBondContact CB-OH 3.42Å; P12-Y233 VanDerWaalsContact CD-OH 3.28Å; P12-Y233 WeakPolarHBondContact CD-OH 3.3Å; P12-Y233 WeakPolarHBondContact CG-OH 3.25Å; I229-Y233 HydrophobicContact CG2-CD2 4.09Å; I229-Y233 WeakPolarHBondContact O-CB 3.41Å; I229-Y233 WeakPolarHBondContact O-CD2 3.36Å; I229-Y233 PolarHBondContact O-N 2.78Å; Y233-L235 HydrophobicContact CG-CD1 4.41Å; Y233-L235 PolarHBondContact O-N 3.3Å; Y233-L413 HydrophobicContact CD1-CD2 4.3Å; Y233-L413 HydrophobicContact CE1-CD2 3.41Å; Y233-L413 VanDerWaalsContact CE1-CD2 3.41Å; Y233-V417 HydrophobicContact CD1-CG1 4.03Å; Y233-V417 HydrophobicContact CE1-CG1 4.13Å; Y233-T421 HydrophobicContact CD1-CG2 4.07Å; Y233-T421 WeakPolarHBondContact O-CB 3.28Å; Y233-T421 VanDerWaalsContact O-CG2 3.27Å; Y233-T421 WeakPolarHBondContact O-CG2 3.43Å
234G88.5Confident93.2Very high0 Ų024.6 Ų24.60%013%0.125CC..  trans70.716.9-171.300000113.4T230 R239T230-G234 WeakPolarHBondContact O-CA 3.27Å; T230-G234 PolarHBondContact O-N 2.69Å; G234-R239 PolarHBondContact O-NH1 3.12Å
235L91.4Very high93Very high0 Ų024.7 Ų24.70%013%0.126CC..  trans-94.3115.4-179.9-63.6172.6000109.5F9 M226 T230 Y233 R239 L240 L243 T264 L424F9-L235 HydrophobicContact CE1-CD1 3.85Å; F9-L235 HydrophobicContact CZ-CD1 4.46Å; M226-L235 WeakPolarHBondContact CE-O 3.26Å; T230-L235 PolarHBondContact OG1-O 3.24Å; Y233-L235 HydrophobicContact CG-CD1 4.41Å; Y233-L235 PolarHBondContact O-N 3.3Å; L235-R239 HydrophobicContact CD2-CB 3.93Å; L235-L240 HydrophobicContact CB-CD2 4.05Å; L235-L240 HydrophobicContact CB-CG 4.16Å; L235-L240 HydrophobicContact CD1-CD2 3.98Å; L235-L243 HydrophobicContact CD1-CD1 4.04Å; L235-T264 HydrophobicContact CD2-CG2 4.43Å; L235-L424 HydrophobicContact CD2-CD1 3.98Å
236D91.2Very high92.9Very high32 Ų3223.9 Ų23.917%0.17112%0.121CC..  trans-90.9179.1166.757.417.2000110.4E238 R239 L240 R431D236-E238 VanDerWaalsContact C-N 3.31Å; D236-E238 PolarHBondContact O-N 2.82Å; D236-R239 PolarHBondContact O-N 3.38Å; D236-R239 VanDerWaalsContact OD1-CB 3.26Å; D236-R239 WeakPolarHBondContact OD1-CB 3.46Å; D236-R239 WeakPolarHBondContact OD1-CD 3.26Å; D236-R239 WeakPolarHBondContact OD1-CG 3.03Å; D236-R239 PolarHBondContact OD1-N 3.35Å; D236-L240 WeakPolarHBondContact O-CG 3.11Å; D236-L240 PolarHBondContact O-N 2.81Å; D236-R431 IonicContact OD2-NH1 3.92Å; D236-R431 PolarHBondContact OD2-NH1 3.05Å; D236-R431 VanDerWaalsContact OD2-NH1 3.16Å
237R93.9Very high92.8Very high63 Ų6323.4 Ų23.424%0.23812%0.12CC..Hα-helixtrans-56.5-45.3-178.2-176.9-178.2176.5-174.4-4.5111.7L204 F205 L240 V241 F333 L334L204-R237 PolarHBondContact O-NE 3.48Å; F205-R237 VanDerWaalsContact C-CZ 3.49Å; F205-R237 VanDerWaalsContact O-CZ 3.26Å; F205-R237 PolarHBondContact O-NH2 2.93Å; F205-R237 VanDerWaalsContact O-NH2 3.07Å; R237-L240 PolarHBondContact O-N 3.37Å; R237-V241 WeakPolarHBondContact O-CG2 3.1Å; R237-V241 PolarHBondContact O-N 2.81Å; R237-F333 PolarHBondContact NH2-O 3.08Å; R237-L334 HydrophobicContact CG-CD2 4.1Å; R237-L334 PolarHBondContact NH2-O 2.78Å
238E92.5Very high92.7Very high73 Ų7317.4 Ų17.434%0.3419%0.088SC..Hα-helixtrans-60.1-49.4179.1-67.2174.9171.600110.8D236 L240 V241 L242 S281 L334D236-E238 VanDerWaalsContact C-N 3.31Å; D236-E238 PolarHBondContact O-N 2.82Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 3.24Å; E238-V241 WeakPolarHBondContact O-CB 3.35Å; E238-V241 PolarHBondContact O-N 2.78Å; E238-V241 VanDerWaalsContact O-N 3.1Å; E238-L242 WeakPolarHBondContact O-CG 3.42Å; E238-L242 PolarHBondContact O-N 2.87Å; E238-S281 PolarHBondContact OE2-OG 3.33Å; E238-L334 HydrophobicContact CG-CD1 4.42Å; E238-L334 HydrophobicContact CG-CD2 4.44Å
239R93.3Very high92.6Very high5 Ų516.4 Ų16.42%0.0198%0.082CC..Hα-helixtrans-63.9-32.3177.2-70.3168.6173.2176.9-0.9113.1G234 L235 D236 L242 L243 I267 D271 L424 T427G234-R239 PolarHBondContact O-NH1 3.12Å; L235-R239 HydrophobicContact CD2-CB 3.93Å; D236-R239 PolarHBondContact O-N 3.38Å; D236-R239 VanDerWaalsContact OD1-CB 3.26Å; D236-R239 WeakPolarHBondContact OD1-CB 3.46Å; D236-R239 WeakPolarHBondContact OD1-CD 3.26Å; D236-R239 WeakPolarHBondContact OD1-CG 3.03Å; D236-R239 PolarHBondContact OD1-N 3.35Å; R239-L242 PolarHBondContact O-N 3.5Å; R239-L243 WeakPolarHBondContact O-CB 3.2Å; R239-L243 PolarHBondContact O-N 3.39Å; R239-I267 HydrophobicContact CB-CG2 4.42Å; R239-I267 HydrophobicContact CG-CG2 4.05Å; R239-D271 IonicContact CZ-OD2 3.7Å; R239-D271 VanDerWaalsContact CZ-OD2 3.31Å; R239-D271 IonicContact NE-OD2 2.76Å; R239-D271 PolarHBondContact NE-OD2 2.85Å; R239-D271 VanDerWaalsContact NE-OD2 3.15Å; R239-D271 IonicContact NH2-OD2 3.61Å; R239-D271 PolarHBondContact NH2-OD2 3.37Å; R239-L424 PolarHBondContact NH1-O 2.94Å; R239-T427 VanDerWaalsContact NH2-CB 3.34Å
240L94.9Very high92.2Very high1 Ų117.8 Ų17.81%0.0059%0.089CC..Hα-helixtrans-66.8-38173.1-74.5174.8000111.9W203 L204 M226 L235 D236 R237 E238 L243 A244W203-L240 HydrophobicContact CB-CD1 3.98Å; L204-L240 HydrophobicContact CD2-CB 3.92Å; L204-L240 WeakPolarHBondContact CD2-O 3.38Å; M226-L240 HydrophobicContact CE-CD1 3.51Å; M226-L240 HydrophobicContact CE-CG 4.48Å; M226-L240 HydrophobicContact SD-CD1 3.87Å; L235-L240 HydrophobicContact CB-CD2 4.05Å; L235-L240 HydrophobicContact CB-CG 4.16Å; L235-L240 HydrophobicContact CD1-CD2 3.98Å; D236-L240 WeakPolarHBondContact O-CG 3.11Å; D236-L240 PolarHBondContact O-N 2.81Å; R237-L240 PolarHBondContact O-N 3.37Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 3.24Å; L240-L243 PolarHBondContact O-N 3.25Å; L240-A244 WeakPolarHBondContact O-CB 3.32Å; L240-A244 PolarHBondContact O-N 3.32Å
241V95.1Very high91.9Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-64.6-44.1173.2179.50000110.6L204 R237 E238 L243 A244 M245 F330 F333 L334L204-V241 HydrophobicContact CB-CG2 4.22Å; L204-V241 HydrophobicContact CD2-CG2 4.29Å; R237-V241 WeakPolarHBondContact O-CG2 3.1Å; R237-V241 PolarHBondContact O-N 2.81Å; E238-V241 WeakPolarHBondContact O-CB 3.35Å; E238-V241 PolarHBondContact O-N 2.78Å; E238-V241 VanDerWaalsContact O-N 3.1Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.08Å; V241-A244 WeakPolarHBondContact O-CB 3.05Å; V241-A244 PolarHBondContact O-N 3.02Å; V241-M245 HydrophobicContact CG1-SD 4.41Å; V241-M245 WeakPolarHBondContact O-CG 3.09Å; V241-M245 PolarHBondContact O-N 3.04Å; V241-F330 HydrophobicContact CB-CD2 4.18Å; V241-F330 HydrophobicContact CB-CE2 4.15Å; V241-F330 HydrophobicContact CG1-CD2 3.48Å; V241-F330 VanDerWaalsContact CG1-CD2 3.48Å; V241-F330 HydrophobicContact CG1-CE2 3.95Å; V241-F330 HydrophobicContact CG1-CG 4.29Å; V241-F333 HydrophobicContact CG1-CB 4.19Å; V241-F333 HydrophobicContact CG1-CD2 4.04Å; V241-F333 HydrophobicContact CG2-CB 3.81Å; V241-F333 HydrophobicContact CG2-CG 4.43Å; V241-L334 HydrophobicContact CG2-CD2 4.32Å
242L94.4Very high91.8Very high5 Ų513.2 Ų13.23%0.0266%0.064CC..Hα-helixtrans-59.7-42174.5-58.8179.4000111.8E238 R239 M245 L246 I267 S281 L282 C284 L285 F330E238-L242 WeakPolarHBondContact O-CG 3.42Å; E238-L242 PolarHBondContact O-N 2.87Å; R239-L242 PolarHBondContact O-N 3.5Å; L242-M245 PolarHBondContact O-N 3.32Å; L242-L246 PolarHBondContact O-N 2.99Å; L242-I267 HydrophobicContact CB-CD1 4.01Å; L242-I267 HydrophobicContact CB-CG1 4.32Å; L242-S281 WeakPolarHBondContact CD1-O 3.22Å; L242-L282 HydrophobicContact CD2-CD2 4.07Å; L242-C284 HydrophobicContact CD1-CB 4.1Å; L242-L285 HydrophobicContact CB-CD1 4.39Å; L242-L285 HydrophobicContact CD2-CD1 3.8Å; L242-L285 HydrophobicContact CD2-CG 4.03Å; L242-F330 HydrophobicContact CD2-CD2 4.11Å; L242-F330 HydrophobicContact CD2-CE2 3.77Å; L242-F330 HydrophobicContact CG-CE2 4.36Å
243L95.1Very high91.6Very high0 Ų015.7 Ų15.70%08%0.08CC..Hα-helixtrans-62.3-43.7176-175.7153.1000111.1V3 L6 L235 R239 L240 V241 M245 L246 V247 A260 A263 I267V3-L243 HydrophobicContact CG1-CD2 4.2Å; L6-L243 HydrophobicContact CD1-CD2 4.17Å; L235-L243 HydrophobicContact CD1-CD1 4.04Å; R239-L243 WeakPolarHBondContact O-CB 3.2Å; R239-L243 PolarHBondContact O-N 3.39Å; L240-L243 PolarHBondContact O-N 3.25Å; V241-L243 VanDerWaalsContact C-N 3.3Å; V241-L243 PolarHBondContact O-N 3.08Å; L243-M245 VanDerWaalsContact C-N 3.3Å; L243-M245 PolarHBondContact O-N 2.87Å; L243-L246 PolarHBondContact O-N 3.47Å; L243-V247 HydrophobicContact CD2-CG2 3.96Å; L243-V247 HydrophobicContact CG-CG2 4.3Å; L243-V247 WeakPolarHBondContact O-CB 3.38Å; L243-V247 WeakPolarHBondContact O-CG2 3.44Å; L243-V247 PolarHBondContact O-N 3.32Å; L243-A260 HydrophobicContact CD2-CB 4.49Å; L243-A263 HydrophobicContact CG-CB 3.98Å; L243-I267 HydrophobicContact CB-CD1 3.78Å
244A95Very high91.5Very high1 Ų116 Ų161%0.0088%0.083CC..Hα-helixtrans-62.5-37.5177.100000112.2V3 L204 L240 V241 L246 G248 C249V3-A244 HydrophobicContact CG1-CB 4.18Å; V3-A244 HydrophobicContact CG2-CB 3.64Å; L204-A244 HydrophobicContact CD1-CB 3.56Å; L204-A244 HydrophobicContact CD2-CB 3.9Å; L204-A244 HydrophobicContact CG-CB 4.39Å; L240-A244 WeakPolarHBondContact O-CB 3.32Å; L240-A244 PolarHBondContact O-N 3.32Å; V241-A244 WeakPolarHBondContact O-CB 3.05Å; V241-A244 PolarHBondContact O-N 3.02Å; A244-L246 VanDerWaalsContact C-N 3.32Å; A244-L246 PolarHBondContact O-N 3.13Å; A244-G248 CarbonylContact O-C 3.59Å; A244-G248 WeakPolarHBondContact O-CA 3.49Å; A244-G248 PolarHBondContact O-N 3.08Å; A244-C249 HydrophobicContact CB-CB 4.3Å
245M93.3Very high91.6Very high2 Ų216.4 Ų16.41%0.019%0.085CC..Hα-helixtrans-65.5-34.9176.2-69175.975.400112.9V241 L242 L243 L282 L285 F324 P325 D326 I329 F330V241-M245 HydrophobicContact CG1-SD 4.41Å; V241-M245 WeakPolarHBondContact O-CG 3.09Å; V241-M245 PolarHBondContact O-N 3.04Å; L242-M245 PolarHBondContact O-N 3.32Å; L243-M245 VanDerWaalsContact C-N 3.3Å; L243-M245 PolarHBondContact O-N 2.87Å; M245-L282 HydrophobicContact CE-CD2 4.19Å; M245-L282 HydrophobicContact SD-CD2 4.08Å; M245-L285 HydrophobicContact CB-CD1 4Å; M245-L285 HydrophobicContact CE-CD1 4.28Å; M245-L285 HydrophobicContact SD-CD1 4.07Å; M245-F324 HydrophobicContact CB-CE2 4.25Å; M245-P325 HydrophobicContact CE-CB 3.72Å; M245-D326 VanDerWaalsContact CE-N 3.35Å; M245-D326 WeakPolarHBondContact CE-O 3.39Å; M245-I329 HydrophobicContact CG-CG2 4.28Å; M245-F330 HydrophobicContact SD-CB 4.26Å; M245-F330 HydrophobicContact SD-CD2 4.2Å
246L93.4Very high91.3Very high0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-75.3-44.4176.5-75.1169.1000112.8L242 L243 A244 V255 I258 A263 I266 I267 L285 F288 F324L242-L246 PolarHBondContact O-N 2.99Å; L243-L246 PolarHBondContact O-N 3.47Å; A244-L246 VanDerWaalsContact C-N 3.32Å; A244-L246 PolarHBondContact O-N 3.13Å; L246-V255 HydrophobicContact CD2-CG2 4.4Å; L246-V255 PolarHBondContact O-N 3.23Å; L246-I258 HydrophobicContact CB-CG2 4.13Å; L246-I258 HydrophobicContact CD2-CD1 4.08Å; L246-A263 HydrophobicContact CB-CB 3.91Å; L246-A263 HydrophobicContact CD1-CB 3.88Å; L246-I266 HydrophobicContact CD1-CB 4.29Å; L246-I266 HydrophobicContact CD1-CD1 4.5Å; L246-I266 HydrophobicContact CD1-CG2 4.04Å; L246-I267 HydrophobicContact CD1-CD1 4.48Å; L246-I267 HydrophobicContact CD1-CG1 4.23Å; L246-L285 HydrophobicContact CD1-CD2 3.71Å; L246-L285 HydrophobicContact CD2-CD2 3.86Å; L246-L285 HydrophobicContact CG-CD2 3.66Å; L246-F288 HydrophobicContact CD2-CD1 4.09Å; L246-F288 HydrophobicContact CD2-CE1 4.02Å; L246-F324 HydrophobicContact CD2-CZ 3.78Å; L246-F324 HydrophobicContact CG-CZ 4.46Å
247V93.6Very high91Very high12 Ų1225.9 Ų25.97%0.07315%0.147CC..Hα-helixtrans-85.2-30.8-172.3177.30000112.6V3 K4 L243 A260 A263V3-V247 HydrophobicContact CG1-CB 4.41Å; V3-V247 HydrophobicContact CG1-CG1 4.38Å; K4-V247 HydrophobicContact CB-CG1 3.99Å; K4-V247 WeakPolarHBondContact O-CG1 3.5Å; L243-V247 HydrophobicContact CD2-CG2 3.96Å; L243-V247 HydrophobicContact CG-CG2 4.3Å; L243-V247 WeakPolarHBondContact O-CB 3.38Å; L243-V247 WeakPolarHBondContact O-CG2 3.44Å; L243-V247 PolarHBondContact O-N 3.32Å; V247-A260 HydrophobicContact CG2-CB 4.47Å; V247-A263 HydrophobicContact CG2-CB 3.64Å
248G91.1Very high90.9Very high0 Ų023.3 Ų23.30%014%0.138CC..  trans101.9139.2-174.400000112.8V3 K4 A244 T252 V253V3-G248 WeakPolarHBondContact CA-O 3.48Å; K4-G248 PolarHBondContact N-O 3.22Å; A244-G248 CarbonylContact O-C 3.59Å; A244-G248 WeakPolarHBondContact O-CA 3.49Å; A244-G248 PolarHBondContact O-N 3.08Å; G248-T252 CarbonylContact C-O 3.29Å; G248-T252 VanDerWaalsContact CA-O 3.29Å; G248-T252 WeakPolarHBondContact CA-O 3.23Å; G248-V253 WeakPolarHBondContact CA-O 3.47Å
249C90.6Very high90.8Very high3 Ų321.5 Ų21.52%0.0214%0.138CC..  trans-145.4-166.5178.967.50000109.9V3 A244 Y251 T252V3-C249 HydrophobicContact CG2-CB 4.02Å; A244-C249 HydrophobicContact CB-CB 4.3Å; C249-Y251 PolarHBondContact O-N 3.26Å; C249-Y251 PolarHBondContact SG-N 2.78Å; C249-T252 PolarHBondContact N-O 2.92Å; C249-T252 PolarHBondContact O-N 3.31Å
250D85.7Confident90.8Very high29 Ų2921.8 Ų21.816%0.15514%0.142CC..SBendtrans-65.6-18.7179.8-77.514000113.4G2 K87 T90G2-D250 PolarHBondContact N-OD1 3.04Å; K87-D250 HydrophobicContact CD-CB 4.43Å; K87-D250 VanDerWaalsContact CE-OD2 3.26Å; K87-D250 WeakPolarHBondContact CE-OD2 3.34Å; K87-D250 HydrophobicContact CG-CB 4.31Å; K87-D250 IonicContact NZ-OD2 3.41Å; T90-D250 WeakPolarHBondContact CB-O 3.49Å
251Y85.3Confident90.6Very high10 Ų1023.9 Ų23.94%0.03915%0.154CC..SBendtrans-102.1-19.1-175.8-70.5-114.5000113.4S84 L86 K87 T90 E178 F205 C249 I329 A332 F333S84-Y251 WeakPolarHBondContact OG-CE1 3.36Å; L86-Y251 HydrophobicContact CB-CD1 3.92Å; L86-Y251 HydrophobicContact CD1-CD1 4.35Å; K87-Y251 HydrophobicContact CD-CE2 4.42Å; T90-Y251 VanDerWaalsContact OG1-C 3.3Å; T90-Y251 PolarHBondContact OG1-O 2.94Å; E178-Y251 VanDerWaalsContact CG-OH 3.22Å; E178-Y251 WeakPolarHBondContact CG-OH 3.4Å; E178-Y251 PolarHBondContact OE1-OH 2.92Å; F205-Y251 HydrophobicContact CZ-CE2 4.37Å; C249-Y251 PolarHBondContact O-N 3.26Å; C249-Y251 PolarHBondContact SG-N 2.78Å; Y251-I329 WeakPolarHBondContact O-CD1 3.35Å; Y251-A332 HydrophobicContact CD1-CB 4.33Å; Y251-A332 HydrophobicContact CE1-CB 4.03Å; Y251-F333 AromaticContact CD2-CE1 3.91Å; Y251-F333 HydrophobicContact CD2-CE1 3.91Å; Y251-F333 HydrophobicContact CD2-CE2 4.02Å; Y251-F333 AromaticContact CD2-CZ 3.32Å; Y251-F333 HydrophobicContact CD2-CZ 3.32Å; Y251-F333 AromaticContact CE2-CE1 3.85Å; Y251-F333 HydrophobicContact CE2-CE1 3.85Å; Y251-F333 AromaticContact CE2-CZ 3.77Å; Y251-F333 HydrophobicContact CE2-CZ 3.77Å; Y251-F333 HydrophobicContact CG-CE2 4.03Å; Y251-F333 AromaticContact CG-CZ 3.81Å; Y251-F333 HydrophobicContact CG-CZ 3.81Å
252T87.8Confident90.4Very high15 Ų1525 Ų259%0.09216%0.162CC..  trans-147.5143.6179173.20000111G248 C249 G254 I329G248-T252 CarbonylContact C-O 3.29Å; G248-T252 VanDerWaalsContact CA-O 3.29Å; G248-T252 WeakPolarHBondContact CA-O 3.23Å; C249-T252 PolarHBondContact N-O 2.92Å; C249-T252 PolarHBondContact O-N 3.31Å; T252-G254 PolarHBondContact O-N 3Å; T252-G254 PolarHBondContact OG1-N 3.27Å; T252-I329 HydrophobicContact CG2-CD1 4.38Å
253V85.6Confident90.4Very high79 Ų7924.8 Ų24.848%0.47916%0.16SC..  trans-63.3-27.2178-179.10000112K4 T90 F94 G248K4-V253 PolarHBondContact NZ-O 3.02Å; T90-V253 HydrophobicContact CG2-CG2 4.23Å; F94-V253 HydrophobicContact CE1-CG1 4.34Å; F94-V253 HydrophobicContact CE1-CG2 4.44Å; F94-V253 HydrophobicContact CZ-CG2 4.46Å; G248-V253 WeakPolarHBondContact CA-O 3.47Å
254G89.9Confident90.2Very high7 Ų724.8 Ų24.87%0.07216%0.16CC..  trans91.6-175.7-170.700000112.4T252T252-G254 PolarHBondContact O-N 3Å; T252-G254 PolarHBondContact OG1-N 3.27Å
255V89.6Confident90Very high7 Ų725.6 Ų25.64%0.04216%0.164CC..  trans-99.6132.7171.7-178.70000108.5L246 I258 C318 F320 F324L246-V255 HydrophobicContact CD2-CG2 4.4Å; L246-V255 PolarHBondContact O-N 3.23Å; V255-I258 HydrophobicContact CB-CD1 3.73Å; V255-I258 HydrophobicContact CB-CG1 4.09Å; V255-I258 HydrophobicContact CG1-CD1 3.62Å; V255-I258 HydrophobicContact CG1-CG1 4.01Å; V255-I258 HydrophobicContact CG2-CD1 4.45Å; V255-I258 PolarHBondContact O-N 3.36Å; V255-C318 HydrophobicContact CG1-CB 3.82Å; V255-F320 HydrophobicContact CG1-CD1 4.46Å; V255-F320 HydrophobicContact CG1-CE1 4.44Å; V255-F320 HydrophobicContact CG2-CD1 3.93Å; V255-F320 HydrophobicContact CG2-CE1 4.21Å; V255-F324 HydrophobicContact CG2-CD2 4.37Å; V255-F324 HydrophobicContact CG2-CE1 4.48Å; V255-F324 HydrophobicContact CG2-CE2 4Å; V255-F324 HydrophobicContact CG2-CZ 4.07Å
256E86.2Confident89.9Confident164 Ų16425.5 Ų25.577%0.76616%0.163SC*.THydrogen-bonded Turntrans-62138-177.9-169.3175.4178.200111.8I258E256-I258 VanDerWaalsContact C-N 3.26Å; E256-I258 PolarHBondContact O-N 2.99Å
257G85.6Confident89.8Confident67 Ų6725.5 Ų25.569%0.69116%0.163SC*.THydrogen-bonded Turntrans81-5.9-179.700000115.3
258I90.3Very high89.6Confident10 Ų1025.1 Ų25.15%0.05116%0.161CC..  trans-96.1111.1-179.3-53.8-169.5000111.1L246 V255 E256 T262 A263 I266 F288 L315L246-I258 HydrophobicContact CB-CG2 4.13Å; L246-I258 HydrophobicContact CD2-CD1 4.08Å; V255-I258 HydrophobicContact CB-CD1 3.73Å; V255-I258 HydrophobicContact CB-CG1 4.09Å; V255-I258 HydrophobicContact CG1-CD1 3.62Å; V255-I258 HydrophobicContact CG1-CG1 4.01Å; V255-I258 HydrophobicContact CG2-CD1 4.45Å; V255-I258 PolarHBondContact O-N 3.36Å; E256-I258 VanDerWaalsContact C-N 3.26Å; E256-I258 PolarHBondContact O-N 2.99Å; I258-T262 HydrophobicContact CG2-CG2 4.3Å; I258-A263 HydrophobicContact CG2-CB 3.9Å; I258-I266 HydrophobicContact CD1-CD1 3.79Å; I258-I266 HydrophobicContact CG2-CD1 4.21Å; I258-F288 HydrophobicContact CD1-CE1 3.99Å; I258-F288 HydrophobicContact CD1-CZ 4.06Å; I258-L315 HydrophobicContact CG1-CD2 4.18Å
259G91.2Very high89.3Confident34 Ų3426.1 Ų26.135%0.35117%0.166SC..  trans-95.3170.5168.500000112.8V261 T262 A263G259-V261 VanDerWaalsContact C-N 3.26Å; G259-V261 PolarHBondContact O-N 3.49Å; G259-V261 VanDerWaalsContact O-N 3.14Å; G259-T262 PolarHBondContact O-N 2.92Å; G259-T262 VanDerWaalsContact O-N 3.09Å; G259-A263 WeakPolarHBondContact O-CB 3.48Å; G259-A263 PolarHBondContact O-N 3.16Å
260A92.4Very high89.1Confident12 Ų1226.6 Ų26.610%0.09917%0.168CC..Hα-helixtrans-54.3-35.6-176.900000114.7F9 L243 V247 T264F9-A260 HydrophobicContact CB-CB 3.8Å; F9-A260 HydrophobicContact CD1-CB 4.27Å; F9-A260 HydrophobicContact CD2-CB 3.93Å; F9-A260 HydrophobicContact CG-CB 3.74Å; L243-A260 HydrophobicContact CD2-CB 4.49Å; V247-A260 HydrophobicContact CG2-CB 4.47Å; A260-T264 WeakPolarHBondContact O-CB 3.38Å; A260-T264 PolarHBondContact O-N 3.3Å; A260-T264 PolarHBondContact O-OG1 2.97Å
261V91.3Very high88.9Confident44 Ų4426 Ų2627%0.26717%0.165SC..Hα-helixtrans-64.9-52.3176.5176.20000110.8F9 G259 A263 T264 E265 R416 V417F9-V261 HydrophobicContact CD2-CG2 4.1Å; F9-V261 HydrophobicContact CE2-CG2 4.18Å; G259-V261 VanDerWaalsContact C-N 3.26Å; G259-V261 PolarHBondContact O-N 3.49Å; G259-V261 VanDerWaalsContact O-N 3.14Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 3.49Å; V261-T264 PolarHBondContact O-N 2.98Å; V261-E265 PolarHBondContact O-N 3.26Å; V261-R416 HydrophobicContact CG1-CB 4.27Å; V261-V417 HydrophobicContact CB-CG2 4.28Å; V261-V417 HydrophobicContact CG1-CG2 3.77Å; V261-V417 HydrophobicContact CG2-CG2 3.84Å
262T91.4Very high88Confident25 Ų2527.1 Ų27.115%0.15317%0.173CC..Hα-helixtrans-62.2-42.1178.6-510000111I258 G259 T264 E265 I266 L315I258-T262 HydrophobicContact CG2-CG2 4.3Å; G259-T262 PolarHBondContact O-N 2.92Å; G259-T262 VanDerWaalsContact O-N 3.09Å; T262-T264 VanDerWaalsContact C-N 3.31Å; T262-T264 PolarHBondContact O-N 2.84Å; T262-E265 WeakPolarHBondContact O-CB 3.35Å; T262-E265 PolarHBondContact O-N 3.36Å; T262-E265 VanDerWaalsContact O-N 3.15Å; T262-I266 HydrophobicContact CG2-CD1 4.08Å; T262-I266 WeakPolarHBondContact O-CG1 3.2Å; T262-I266 PolarHBondContact O-N 3.2Å; T262-L315 HydrophobicContact CG2-CD1 3.49Å; T262-L315 VanDerWaalsContact CG2-CD1 3.49Å
263A93.3Very high86.8Confident0 Ų027.4 Ų27.40%018%0.175CC..Hα-helixtrans-59.9-40.9175.800000112.1L243 L246 V247 I258 G259 V261 I266 I267L243-A263 HydrophobicContact CG-CB 3.98Å; L246-A263 HydrophobicContact CB-CB 3.91Å; L246-A263 HydrophobicContact CD1-CB 3.88Å; V247-A263 HydrophobicContact CG2-CB 3.64Å; I258-A263 HydrophobicContact CG2-CB 3.9Å; G259-A263 WeakPolarHBondContact O-CB 3.48Å; G259-A263 PolarHBondContact O-N 3.16Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 3.49Å; A263-I266 PolarHBondContact O-N 3.02Å; A263-I267 WeakPolarHBondContact O-CD1 3.44Å; A263-I267 VanDerWaalsContact O-CG1 3.24Å; A263-I267 WeakPolarHBondContact O-CG1 3.25Å; A263-I267 PolarHBondContact O-N 3.42Å
264T92.4Very high85.5Confident0 Ų030 Ų300%018%0.18CC..Hα-helixtrans-65.5-38.2175.8-54.20000111.8F9 L235 A260 V261 T262 A268 A420 T421 L424F9-T264 HydrophobicContact CZ-CG2 4.49Å; F9-T264 WeakPolarHBondContact CZ-OG1 3.44Å; L235-T264 HydrophobicContact CD2-CG2 4.43Å; A260-T264 WeakPolarHBondContact O-CB 3.38Å; A260-T264 PolarHBondContact O-N 3.3Å; A260-T264 PolarHBondContact O-OG1 2.97Å; V261-T264 PolarHBondContact O-N 2.98Å; T262-T264 VanDerWaalsContact C-N 3.31Å; T262-T264 PolarHBondContact O-N 2.84Å; T264-A268 VanDerWaalsContact O-CB 3.31Å; T264-A268 WeakPolarHBondContact O-CB 3.35Å; T264-A268 PolarHBondContact O-N 2.91Å; T264-A420 HydrophobicContact CG2-CB 4.09Å; T264-T421 HydrophobicContact CG2-CG2 4.38Å; T264-L424 HydrophobicContact CG2-CD1 3.75Å
265E90.6Very high83.8Confident17 Ų1737 Ų378%0.07921%0.211CC..Hα-helixtrans-64.8-43.3174.6-70.1170.7155.100111.7V261 T262 A268 E269 F312 R416 A420V261-E265 PolarHBondContact O-N 3.26Å; T262-E265 WeakPolarHBondContact O-CB 3.35Å; T262-E265 PolarHBondContact O-N 3.36Å; T262-E265 VanDerWaalsContact O-N 3.15Å; E265-A268 PolarHBondContact O-N 3.43Å; E265-E269 PolarHBondContact O-N 3.48Å; E265-F312 HydrophobicContact CB-CE1 4.03Å; E265-F312 HydrophobicContact CB-CZ 3.94Å; E265-R416 WeakPolarHBondContact OE1-CB 3.27Å; E265-R416 IonicContact OE1-CZ 3.6Å; E265-R416 IonicContact OE1-NE 2.86Å; E265-R416 PolarHBondContact OE1-NE 2.8Å; E265-R416 IonicContact OE1-NH2 3.48Å; E265-R416 PolarHBondContact OE1-NH2 2.76Å; E265-R416 IonicContact OE2-CZ 3.58Å; E265-R416 IonicContact OE2-NE 3.63Å; E265-R416 IonicContact OE2-NH2 2.7Å; E265-R416 PolarHBondContact OE2-NH2 2.82Å; E265-A420 HydrophobicContact CG-CB 3.95Å
266I90.6Very high82.1Confident0 Ų041.8 Ų41.80%024%0.236CC..Hα-helixtrans-59.8-51.4175.6-68.9163.9000109.9L246 I258 T262 A263 A268 E269 F270 F288 F312 L315L246-I266 HydrophobicContact CD1-CB 4.29Å; L246-I266 HydrophobicContact CD1-CD1 4.5Å; L246-I266 HydrophobicContact CD1-CG2 4.04Å; I258-I266 HydrophobicContact CD1-CD1 3.79Å; I258-I266 HydrophobicContact CG2-CD1 4.21Å; T262-I266 HydrophobicContact CG2-CD1 4.08Å; T262-I266 WeakPolarHBondContact O-CG1 3.2Å; T262-I266 PolarHBondContact O-N 3.2Å; A263-I266 PolarHBondContact O-N 3.02Å; I266-A268 VanDerWaalsContact C-N 3.28Å; I266-A268 PolarHBondContact O-N 3.21Å; I266-E269 PolarHBondContact O-N 3.08Å; I266-E269 VanDerWaalsContact O-N 3.08Å; I266-F270 HydrophobicContact CG2-CD2 3.85Å; I266-F270 HydrophobicContact CG2-CE2 4.41Å; I266-F270 WeakPolarHBondContact O-CD2 3.2Å; I266-F270 PolarHBondContact O-N 3.18Å; I266-F288 HydrophobicContact CD1-CE1 4.05Å; I266-F288 HydrophobicContact CD1-CE2 3.89Å; I266-F288 HydrophobicContact CD1-CZ 3.63Å; I266-F288 HydrophobicContact CG1-CD2 4.37Å; I266-F288 HydrophobicContact CG1-CE2 4.02Å; I266-F288 HydrophobicContact CG1-CZ 4.28Å; I266-F288 HydrophobicContact CG2-CB 4.05Å; I266-F288 HydrophobicContact CG2-CD1 4.04Å; I266-F288 HydrophobicContact CG2-CD2 3.71Å; I266-F288 HydrophobicContact CG2-CE1 4.45Å; I266-F288 HydrophobicContact CG2-CE2 4.16Å; I266-F288 HydrophobicContact CG2-CG 3.65Å; I266-F312 HydrophobicContact CG1-CD1 4.24Å; I266-F312 HydrophobicContact CG1-CE1 3.78Å; I266-F312 HydrophobicContact CG1-CZ 4.2Å; I266-L315 HydrophobicContact CD1-CD1 4.05Å
267I91.3Very high80.5Confident0 Ų040.5 Ų40.50%023%0.228CC..Hα-helixtrans-59.1-43.2178.7-64.3163.1000110R239 L242 L243 L246 A263 E269 D271 L424R239-I267 HydrophobicContact CB-CG2 4.42Å; R239-I267 HydrophobicContact CG-CG2 4.05Å; L242-I267 HydrophobicContact CB-CD1 4.01Å; L242-I267 HydrophobicContact CB-CG1 4.32Å; L243-I267 HydrophobicContact CB-CD1 3.78Å; L246-I267 HydrophobicContact CD1-CD1 4.48Å; L246-I267 HydrophobicContact CD1-CG1 4.23Å; A263-I267 WeakPolarHBondContact O-CD1 3.44Å; A263-I267 VanDerWaalsContact O-CG1 3.24Å; A263-I267 WeakPolarHBondContact O-CG1 3.25Å; A263-I267 PolarHBondContact O-N 3.42Å; I267-E269 VanDerWaalsContact C-N 3.25Å; I267-E269 PolarHBondContact O-N 3.42Å; I267-D271 WeakPolarHBondContact O-CB 3.49Å; I267-D271 PolarHBondContact O-N 3.23Å; I267-L424 HydrophobicContact CG2-CD2 4.07Å
268A88.5Confident78.9Confident4 Ų443.6 Ų43.63%0.03323%0.233CC..Hα-helixtrans-64.4-26.4178.800000114.5T264 E265 I266 A420 R423 L424T264-A268 VanDerWaalsContact O-CB 3.31Å; T264-A268 WeakPolarHBondContact O-CB 3.35Å; T264-A268 PolarHBondContact O-N 2.91Å; E265-A268 PolarHBondContact O-N 3.43Å; I266-A268 VanDerWaalsContact C-N 3.28Å; I266-A268 PolarHBondContact O-N 3.21Å; A268-A420 HydrophobicContact CB-CB 3.96Å; A268-A420 WeakPolarHBondContact CB-O 3.29Å; A268-R423 HydrophobicContact CB-CB 4.49Å; A268-L424 HydrophobicContact CB-CD1 4.23Å; A268-L424 HydrophobicContact CB-CD2 4.08Å; A268-L424 HydrophobicContact CB-CG 3.84Å
269E85.6Confident77.6Confident22 Ų2245.2 Ų45.210%0.10325%0.246CC..Hα-helixtrans-88.3-45.2-179.4-165.964.7-147.200112.2E265 I266 I267 A308 F312 R423E265-E269 PolarHBondContact O-N 3.48Å; I266-E269 PolarHBondContact O-N 3.08Å; I266-E269 VanDerWaalsContact O-N 3.08Å; I267-E269 VanDerWaalsContact C-N 3.25Å; I267-E269 PolarHBondContact O-N 3.42Å; E269-A308 WeakPolarHBondContact OE2-CB 3.46Å; E269-F312 HydrophobicContact CB-CE2 4.16Å; E269-F312 HydrophobicContact CG-CE2 4.18Å; E269-R423 IonicContact OE2-CZ 2.82Å; E269-R423 IonicContact OE2-NH1 3.75Å; E269-R423 PolarHBondContact OE2-NH1 3.35Å
270F86.2Confident76.9Confident13 Ų1346.9 Ų46.96%0.05725%0.247CC..Hα-helixtrans-97.2-2.3-171.5-66.3-84.3000114.4I266 P272 C284 N287 F288 W291 F312I266-F270 HydrophobicContact CG2-CD2 3.85Å; I266-F270 HydrophobicContact CG2-CE2 4.41Å; I266-F270 WeakPolarHBondContact O-CD2 3.2Å; I266-F270 PolarHBondContact O-N 3.18Å; F270-P272 VanDerWaalsContact O-CD 3.24Å; F270-P272 WeakPolarHBondContact O-CD 3.47Å; F270-C284 WeakPolarHBondContact O-CA 3.41Å; F270-N287 HydrophobicContact CB-CB 4.47Å; F270-N287 HydrophobicContact CD1-CB 4.07Å; F270-F288 HydrophobicContact CD1-CB 4.36Å; F270-F288 HydrophobicContact CD2-CB 4.11Å; F270-F288 AromaticContact CD2-CD2 3.96Å; F270-F288 HydrophobicContact CD2-CD2 3.96Å; F270-F288 HydrophobicContact CD2-CG 4.45Å; F270-F288 HydrophobicContact CE2-CB 4.43Å; F270-F288 AromaticContact CE2-CD2 3.55Å; F270-F288 HydrophobicContact CE2-CD2 3.55Å; F270-F288 HydrophobicContact CE2-CE2 4.33Å; F270-F288 HydrophobicContact CE2-CG 4.43Å; F270-F288 HydrophobicContact CG-CB 4.09Å; F270-F288 AromaticContact CZ-CD2 3.92Å; F270-F288 HydrophobicContact CZ-CD2 3.92Å; F270-W291 HydrophobicContact CE1-CB 3.71Å; F270-W291 HydrophobicContact CE1-CD2 4.31Å; F270-W291 AromaticContact CE1-CG 3.87Å; F270-W291 HydrophobicContact CE1-CG 3.87Å; F270-W291 HydrophobicContact CZ-CB 4.06Å; F270-W291 AromaticContact CZ-CD2 3.79Å; F270-W291 HydrophobicContact CZ-CD2 3.79Å; F270-W291 AromaticContact CZ-CE3 3.89Å; F270-W291 HydrophobicContact CZ-CE3 3.89Å; F270-W291 AromaticContact CZ-CG 3.84Å; F270-W291 HydrophobicContact CZ-CG 3.84Å; F270-F312 HydrophobicContact CE2-CD2 4.38Å; F270-F312 HydrophobicContact CE2-CE2 4.33Å
271D80.8Confident76.5Confident16 Ų1647.1 Ų47.19%0.08625%0.248CC..  trans-64.6113.5178-177.5-4.8000110.8R239 I267 T273R239-D271 IonicContact CZ-OD2 3.7Å; R239-D271 VanDerWaalsContact CZ-OD2 3.31Å; R239-D271 IonicContact NE-OD2 2.76Å; R239-D271 PolarHBondContact NE-OD2 2.85Å; R239-D271 VanDerWaalsContact NE-OD2 3.15Å; R239-D271 IonicContact NH2-OD2 3.61Å; R239-D271 PolarHBondContact NH2-OD2 3.37Å; I267-D271 WeakPolarHBondContact O-CB 3.49Å; I267-D271 PolarHBondContact O-N 3.23Å; D271-T273 PolarHBondContact O-N 2.82Å; D271-T273 WeakPolarHBondContact OD1-CB 3.04Å; D271-T273 WeakPolarHBondContact OD1-CG2 3.03Å; D271-T273 PolarHBondContact OD1-N 3.27Å; D271-T273 PolarHBondContact OD1-OG1 2.95Å; D271-T273 PolarHBondContact OD2-OG1 2.67Å
272P68.1Low76.4Confident34 Ų3445.2 Ų45.222%0.22124%0.236CC..G310 helixtrans-73.5-10.2-177.532.2-36.3000112.4F270 K274 E275 E283F270-P272 VanDerWaalsContact O-CD 3.24Å; F270-P272 WeakPolarHBondContact O-CD 3.47Å; P272-K274 PolarHBondContact O-N 3.43Å; P272-E275 PolarHBondContact O-N 3.3Å; P272-E283 HydrophobicContact CG-CB 4.13Å; P272-E283 HydrophobicContact CG-CG 4.45Å
273T62.9Low76.1Confident20 Ų2047.1 Ų47.112%0.12324%0.243CC..G310 helixtrans-72.915.9-172.9690000114D271 T427 R431D271-T273 PolarHBondContact O-N 2.82Å; D271-T273 WeakPolarHBondContact OD1-CB 3.04Å; D271-T273 WeakPolarHBondContact OD1-CG2 3.03Å; D271-T273 PolarHBondContact OD1-N 3.27Å; D271-T273 PolarHBondContact OD1-OG1 2.95Å; D271-T273 PolarHBondContact OD2-OG1 2.67Å; T273-T427 WeakPolarHBondContact OG1-CG2 3.46Å; T273-R431 PolarHBondContact OG1-NH2 2.45Å
274K56.8Low75.9Confident135 Ų13547.1 Ų47.159%0.58724%0.243SC*.G310 helixtrans-61.8-31.1160-67.7179.6-176166.30111.4P272P272-K274 PolarHBondContact O-N 3.43Å
275E53.7Low75.8Confident153 Ų15347.1 Ų47.172%0.71524%0.243SC*.THydrogen-bonded Turntrans-120.3-44.3-163.6-71.3171.3-165.600114.6P272P272-E275 PolarHBondContact O-N 3.3Å
276D54.6Low75.8Confident107 Ų10750.5 Ų50.557%0.57226%0.255SS*.  trans-136.9143.7-176.9-81.9-45.8000116.2T278 S279D276-T278 VanDerWaalsContact C-N 3.28Å; D276-T278 PolarHBondContact O-N 3.34Å; D276-S279 PolarHBondContact O-OG 3.36Å
277K53.1Low75.6Confident138 Ų13853.3 Ų53.360%0.627%0.27SS*.THydrogen-bonded Turntrans-76.4-8.8-176.7-86.4-179.1177.4173.70114.1
278T52.5Low75.5Confident131 Ų13153.3 Ų53.380%0.80427%0.27SS*.THydrogen-bonded Turntrans-102.5-2.2-170.745.70000113.2D276D276-T278 VanDerWaalsContact C-N 3.28Å; D276-T278 PolarHBondContact O-N 3.34Å
279S61.6Low75.4Confident45 Ų4556.6 Ų56.632%0.31528%0.282SS..SBendtrans-75.9129-175.8-44.80000111.2D276 S281D276-S279 PolarHBondContact O-OG 3.36Å; S279-S281 PolarHBondContact O-N 2.72Å
280D77.9Confident75.5Confident68 Ų6857.3 Ų57.336%0.36429%0.292SS..  trans-50121.8168.6-179.75.1000109.7L282 E283 R286D280-L282 PolarHBondContact O-N 2.8Å; D280-L282 VanDerWaalsContact O-N 3.09Å; D280-L282 WeakPolarHBondContact OD1-CB 3.44Å; D280-L282 PolarHBondContact OD1-N 2.84Å; D280-L282 VanDerWaalsContact OD1-N 3.12Å; D280-E283 WeakPolarHBondContact O-CB 2.97Å; D280-E283 PolarHBondContact O-N 3.28Å; D280-R286 IonicContact OD2-CZ 3.39Å; D280-R286 VanDerWaalsContact OD2-CZ 3.25Å; D280-R286 IonicContact OD2-NH1 2.79Å; D280-R286 PolarHBondContact OD2-NH1 3.31Å; D280-R286 IonicContact OD2-NH2 3.06Å; D280-R286 PolarHBondContact OD2-NH2 3.23Å
281S82.6Confident75.4Confident18 Ų1857.2 Ų57.213%0.12629%0.291CS..THydrogen-bonded Turntrans-57.5-26.2179.8-78.80000112.3E238 L242 S279 E283 C284E238-S281 PolarHBondContact OE2-OG 3.33Å; L242-S281 WeakPolarHBondContact CD1-O 3.22Å; S279-S281 PolarHBondContact O-N 2.72Å; S281-E283 PolarHBondContact O-N 2.77Å; S281-C284 PolarHBondContact O-N 2.93Å
282L89.1Confident75.6Confident4 Ų456.5 Ų56.52%0.02129%0.287CS..THydrogen-bonded Turntrans-66.1-18.5175.7-66.5173.5000113.4L242 M245 D280 C284 L285 R286 P325 P327 F330L242-L282 HydrophobicContact CD2-CD2 4.07Å; M245-L282 HydrophobicContact CE-CD2 4.19Å; M245-L282 HydrophobicContact SD-CD2 4.08Å; D280-L282 PolarHBondContact O-N 2.8Å; D280-L282 VanDerWaalsContact O-N 3.09Å; D280-L282 WeakPolarHBondContact OD1-CB 3.44Å; D280-L282 PolarHBondContact OD1-N 2.84Å; D280-L282 VanDerWaalsContact OD1-N 3.12Å; L282-C284 PolarHBondContact O-N 2.91Å; L282-L285 PolarHBondContact O-N 3.36Å; L282-R286 PolarHBondContact O-N 3.18Å; L282-P325 HydrophobicContact CD2-CB 4.22Å; L282-P327 HydrophobicContact CD1-CB 3.82Å; L282-F330 HydrophobicContact CD1-CB 4.14Å; L282-F330 HydrophobicContact CD1-CD1 4.21Å; L282-F330 HydrophobicContact CD1-CG 4.17Å; L282-F330 HydrophobicContact CD2-CB 3.8Å; L282-F330 HydrophobicContact CD2-CD1 4.33Å; L282-F330 HydrophobicContact CD2-CD2 3.56Å; L282-F330 HydrophobicContact CD2-CE2 4.23Å; L282-F330 HydrophobicContact CD2-CG 3.64Å; L282-F330 HydrophobicContact CG-CB 4.3Å; L282-F330 HydrophobicContact CG-CD1 4.12Å; L282-F330 HydrophobicContact CG-CD2 4.16Å; L282-F330 HydrophobicContact CG-CE1 4.49Å; L282-F330 HydrophobicContact CG-CG 3.94Å
283E86.8Confident76.3Confident65 Ų6558.6 Ų58.630%0.30429%0.294SS..Hα-helixtrans-60.6-30.1179-164.659.3-149.800111.9P272 D280 S281 L285 R286 N287P272-E283 HydrophobicContact CG-CB 4.13Å; P272-E283 HydrophobicContact CG-CG 4.45Å; D280-E283 WeakPolarHBondContact O-CB 2.97Å; D280-E283 PolarHBondContact O-N 3.28Å; S281-E283 PolarHBondContact O-N 2.77Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 3.07Å; E283-R286 PolarHBondContact O-N 2.85Å; E283-R286 WeakPolarHBondContact OE2-CD 3.32Å; E283-R286 IonicContact OE2-CZ 3.28Å; E283-R286 IonicContact OE2-NH1 3.46Å; E283-R286 PolarHBondContact OE2-NH1 2.84Å; E283-N287 WeakPolarHBondContact O-CB 3.48Å; E283-N287 PolarHBondContact O-N 3.02Å; E283-N287 PolarHBondContact O-ND2 3.18Å; E283-N287 PolarHBondContact OE1-OD1 3Å
284C87.7Confident77.1Confident0 Ų061.9 Ų61.90%031%0.308CS..Hα-helixtrans-54.8-45.7170.8179.10000112.3L242 F270 S281 L282 F288L242-C284 HydrophobicContact CD1-CB 4.1Å; F270-C284 WeakPolarHBondContact O-CA 3.41Å; S281-C284 PolarHBondContact O-N 2.93Å; L282-C284 PolarHBondContact O-N 2.91Å; C284-F288 PolarHBondContact O-N 3.46Å; C284-F288 VanDerWaalsContact O-N 3.12Å
285L90.7Very high78.1Confident0 Ų057.2 Ų57.20%029%0.29CS..Hα-helixtrans-78.4-29.9-180-61.8-177.7000112.3L242 M245 L246 L282 E283 R289 F324 P325L242-L285 HydrophobicContact CB-CD1 4.39Å; L242-L285 HydrophobicContact CD2-CD1 3.8Å; L242-L285 HydrophobicContact CD2-CG 4.03Å; M245-L285 HydrophobicContact CB-CD1 4Å; M245-L285 HydrophobicContact CE-CD1 4.28Å; M245-L285 HydrophobicContact SD-CD1 4.07Å; L246-L285 HydrophobicContact CD1-CD2 3.71Å; L246-L285 HydrophobicContact CD2-CD2 3.86Å; L246-L285 HydrophobicContact CG-CD2 3.66Å; L282-L285 PolarHBondContact O-N 3.36Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-L285 PolarHBondContact O-N 3.07Å; L285-R289 WeakPolarHBondContact O-CB 3.48Å; L285-R289 PolarHBondContact O-N 2.74Å; L285-F324 HydrophobicContact CB-CE1 4.26Å; L285-F324 HydrophobicContact CB-CZ 4.24Å; L285-F324 HydrophobicContact CD1-CE2 4.36Å; L285-F324 HydrophobicContact CD1-CZ 4Å; L285-F324 HydrophobicContact CD2-CZ 4.19Å; L285-F324 HydrophobicContact CG-CZ 4.37Å; L285-P325 HydrophobicContact CB-CB 3.74Å; L285-P325 HydrophobicContact CB-CG 3.83Å; L285-P325 HydrophobicContact CD1-CB 3.86Å; L285-P325 HydrophobicContact CG-CB 4.46Å
286R90.3Very high79.1Confident87 Ų8754 Ų5433%0.32828%0.278SS..Hα-helixtrans-65.5-44.7171.8-63.9-168.5-168.5104.25.7111.3D280 L282 E283 F288 R289 A290 P325D280-R286 IonicContact OD2-CZ 3.39Å; D280-R286 VanDerWaalsContact OD2-CZ 3.25Å; D280-R286 IonicContact OD2-NH1 2.79Å; D280-R286 PolarHBondContact OD2-NH1 3.31Å; D280-R286 IonicContact OD2-NH2 3.06Å; D280-R286 PolarHBondContact OD2-NH2 3.23Å; L282-R286 PolarHBondContact O-N 3.18Å; E283-R286 PolarHBondContact O-N 2.85Å; E283-R286 WeakPolarHBondContact OE2-CD 3.32Å; E283-R286 IonicContact OE2-CZ 3.28Å; E283-R286 IonicContact OE2-NH1 3.46Å; E283-R286 PolarHBondContact OE2-NH1 2.84Å; R286-F288 VanDerWaalsContact C-N 3.35Å; R286-F288 PolarHBondContact O-N 3.04Å; R286-R289 PolarHBondContact O-N 2.89Å; R286-A290 WeakPolarHBondContact O-CB 3.19Å; R286-A290 PolarHBondContact O-N 3.16Å; R286-P325 HydrophobicContact CG-CG 3.85Å
287N87.6Confident79.9Confident59 Ų5954.7 Ų54.732%0.31628%0.282SS..Hα-helixtrans-61.1-42.9175.1-71.9-22.6000111.9F270 E283 A290 W291F270-N287 HydrophobicContact CB-CB 4.47Å; F270-N287 HydrophobicContact CD1-CB 4.07Å; E283-N287 WeakPolarHBondContact O-CB 3.48Å; E283-N287 PolarHBondContact O-N 3.02Å; E283-N287 PolarHBondContact O-ND2 3.18Å; E283-N287 PolarHBondContact OE1-OD1 3Å; N287-A290 PolarHBondContact O-N 2.83Å; N287-W291 VanDerWaalsContact O-CB 3.31Å; N287-W291 WeakPolarHBondContact O-CB 3.43Å; N287-W291 PolarHBondContact O-N 2.95Å
288F88.4Confident80.6Confident0 Ų050.6 Ų50.60%028%0.278CS..Hα-helixtrans-62.1-45175175.3-118.8000112L246 I258 I266 F270 C284 R286 W291 C292 F320L246-F288 HydrophobicContact CD2-CD1 4.09Å; L246-F288 HydrophobicContact CD2-CE1 4.02Å; I258-F288 HydrophobicContact CD1-CE1 3.99Å; I258-F288 HydrophobicContact CD1-CZ 4.06Å; I266-F288 HydrophobicContact CD1-CE1 4.05Å; I266-F288 HydrophobicContact CD1-CE2 3.89Å; I266-F288 HydrophobicContact CD1-CZ 3.63Å; I266-F288 HydrophobicContact CG1-CD2 4.37Å; I266-F288 HydrophobicContact CG1-CE2 4.02Å; I266-F288 HydrophobicContact CG1-CZ 4.28Å; I266-F288 HydrophobicContact CG2-CB 4.05Å; I266-F288 HydrophobicContact CG2-CD1 4.04Å; I266-F288 HydrophobicContact CG2-CD2 3.71Å; I266-F288 HydrophobicContact CG2-CE1 4.45Å; I266-F288 HydrophobicContact CG2-CE2 4.16Å; I266-F288 HydrophobicContact CG2-CG 3.65Å; F270-F288 HydrophobicContact CD1-CB 4.36Å; F270-F288 HydrophobicContact CD2-CB 4.11Å; F270-F288 AromaticContact CD2-CD2 3.96Å; F270-F288 HydrophobicContact CD2-CD2 3.96Å; F270-F288 HydrophobicContact CD2-CG 4.45Å; F270-F288 HydrophobicContact CE2-CB 4.43Å; F270-F288 AromaticContact CE2-CD2 3.55Å; F270-F288 HydrophobicContact CE2-CD2 3.55Å; F270-F288 HydrophobicContact CE2-CE2 4.33Å; F270-F288 HydrophobicContact CE2-CG 4.43Å; F270-F288 HydrophobicContact CG-CB 4.09Å; F270-F288 AromaticContact CZ-CD2 3.92Å; F270-F288 HydrophobicContact CZ-CD2 3.92Å; C284-F288 PolarHBondContact O-N 3.46Å; C284-F288 VanDerWaalsContact O-N 3.12Å; R286-F288 VanDerWaalsContact C-N 3.35Å; R286-F288 PolarHBondContact O-N 3.04Å; F288-W291 HydrophobicContact CD2-CE3 4.19Å; F288-W291 HydrophobicContact CE2-CE3 4.13Å; F288-W291 HydrophobicContact CE2-CZ3 4.19Å; F288-W291 PolarHBondContact O-N 3.1Å; F288-C292 PolarHBondContact O-N 2.76Å; F288-F320 HydrophobicContact CD1-CE1 4.02Å; F288-F320 HydrophobicContact CD1-CZ 4.17Å; F288-F320 AromaticContact CE1-CE1 3.74Å; F288-F320 HydrophobicContact CE1-CE1 3.74Å; F288-F320 AromaticContact CE1-CZ 3.89Å; F288-F320 HydrophobicContact CE1-CZ 3.89Å
289R87.5Confident80.9Confident74 Ų7450.2 Ų50.228%0.27927%0.272SS..Hα-helixtrans-62.2-48.2176.7177.8176.8173.2174.7-0.9111.8L285 R286 W291 C292 E293 F320 F324L285-R289 WeakPolarHBondContact O-CB 3.48Å; L285-R289 PolarHBondContact O-N 2.74Å; R286-R289 PolarHBondContact O-N 2.89Å; R289-W291 VanDerWaalsContact C-N 3.28Å; R289-W291 PolarHBondContact O-N 3.2Å; R289-C292 PolarHBondContact O-N 2.77Å; R289-E293 HydrophobicContact CG-CG 4.46Å; R289-E293 IonicContact CZ-OE1 2.67Å; R289-E293 IonicContact NE-OE1 2.84Å; R289-E293 PolarHBondContact NE-OE1 3.08Å; R289-E293 IonicContact NH2-OE1 3.52Å; R289-E293 PolarHBondContact NH2-OE1 2.82Å; R289-E293 WeakPolarHBondContact O-CG 3.49Å; R289-E293 PolarHBondContact O-N 3.28Å; R289-F320 HydrophobicContact CB-CE2 4.36Å; R289-F320 HydrophobicContact CB-CZ 4.28Å; R289-F320 HydrophobicContact CG-CD2 4.04Å; R289-F320 HydrophobicContact CG-CE2 4.03Å; R289-F320 HydrophobicContact CG-CG 4.45Å; R289-F320 HydrophobicContact CG-CZ 4.42Å; R289-F324 WeakPolarHBondContact CD-O 3.38Å; R289-F324 PolarHBondContact NH1-O 3.27Å
290A86.1Confident80.6Confident37 Ų3754.8 Ų54.831%0.30629%0.287SS..Hα-helixtrans-59.6-40.3178.200000111.4R286 N287 E293 Q294R286-A290 WeakPolarHBondContact O-CB 3.19Å; R286-A290 PolarHBondContact O-N 3.16Å; N287-A290 PolarHBondContact O-N 2.83Å; A290-E293 PolarHBondContact O-N 2.86Å; A290-Q294 WeakPolarHBondContact O-CB 3.46Å; A290-Q294 WeakPolarHBondContact O-CG 3.23Å; A290-Q294 PolarHBondContact O-N 3.44Å
291W85.2Confident79.2Confident11 Ų1159.8 Ų59.84%0.04231%0.309CS..Hα-helixtrans-62.3-49.1174.6175.976000112.1F270 N287 F288 R289 E293 Q294 T295 E305 R309 F312F270-W291 HydrophobicContact CE1-CB 3.71Å; F270-W291 HydrophobicContact CE1-CD2 4.31Å; F270-W291 AromaticContact CE1-CG 3.87Å; F270-W291 HydrophobicContact CE1-CG 3.87Å; F270-W291 HydrophobicContact CZ-CB 4.06Å; F270-W291 AromaticContact CZ-CD2 3.79Å; F270-W291 HydrophobicContact CZ-CD2 3.79Å; F270-W291 AromaticContact CZ-CE3 3.89Å; F270-W291 HydrophobicContact CZ-CE3 3.89Å; F270-W291 AromaticContact CZ-CG 3.84Å; F270-W291 HydrophobicContact CZ-CG 3.84Å; N287-W291 VanDerWaalsContact O-CB 3.31Å; N287-W291 WeakPolarHBondContact O-CB 3.43Å; N287-W291 PolarHBondContact O-N 2.95Å; F288-W291 HydrophobicContact CD2-CE3 4.19Å; F288-W291 HydrophobicContact CE2-CE3 4.13Å; F288-W291 HydrophobicContact CE2-CZ3 4.19Å; F288-W291 PolarHBondContact O-N 3.1Å; R289-W291 VanDerWaalsContact C-N 3.28Å; R289-W291 PolarHBondContact O-N 3.2Å; W291-E293 VanDerWaalsContact C-N 3.33Å; W291-E293 PolarHBondContact O-N 3.16Å; W291-Q294 PolarHBondContact O-N 2.74Å; W291-T295 PolarHBondContact O-N 3.29Å; W291-T295 PolarHBondContact O-OG1 3.43Å; W291-E305 PolarHBondContact NE1-OE1 2.93Å; W291-R309 HydrophobicContact CZ2-CB 4.16Å; W291-F312 HydrophobicContact CH2-CB 3.33Å; W291-F312 HydrophobicContact CH2-CG 4.5Å; W291-F312 HydrophobicContact CZ2-CB 4.23Å; W291-F312 HydrophobicContact CZ3-CB 3.65Å
292C85Confident77.6Confident0 Ų066.7 Ų66.70%034%0.344CS..Hα-helixtrans-58.5-43.2175.6-74.60000112.3F288 R289 T295 L296 F320F288-C292 PolarHBondContact O-N 2.76Å; R289-C292 PolarHBondContact O-N 2.77Å; C292-T295 PolarHBondContact O-N 3.32Å; C292-L296 WeakPolarHBondContact O-CB 3.26Å; C292-L296 WeakPolarHBondContact O-CD1 3.15Å; C292-L296 VanDerWaalsContact O-CG 3.32Å; C292-L296 WeakPolarHBondContact O-CG 3.24Å; C292-L296 PolarHBondContact O-N 2.79Å; C292-F320 HydrophobicContact CB-CE2 3.68Å; C292-F320 HydrophobicContact CB-CZ 3.85Å
293E82.9Confident75.7Confident79 Ų7971.4 Ų71.437%0.36937%0.368SS..Hα-helixtrans-65.4-37.5178-72175.317600112.1R289 A290 W291 N297R289-E293 HydrophobicContact CG-CG 4.46Å; R289-E293 IonicContact CZ-OE1 2.67Å; R289-E293 IonicContact NE-OE1 2.84Å; R289-E293 PolarHBondContact NE-OE1 3.08Å; R289-E293 IonicContact NH2-OE1 3.52Å; R289-E293 PolarHBondContact NH2-OE1 2.82Å; R289-E293 WeakPolarHBondContact O-CG 3.49Å; R289-E293 PolarHBondContact O-N 3.28Å; A290-E293 PolarHBondContact O-N 2.86Å; W291-E293 VanDerWaalsContact C-N 3.33Å; W291-E293 PolarHBondContact O-N 3.16Å; E293-N297 VanDerWaalsContact O-CG 3.3Å; E293-N297 PolarHBondContact O-N 3.1Å; E293-N297 PolarHBondContact O-ND2 3.21Å
294Q80Confident73.9Confident89 Ų8976.3 Ų76.342%0.41640%0.397SS..Hα-helixtrans-67.3-45.1175.1-75.2169.75.500112.2A290 W291 L296 N297 G298A290-Q294 WeakPolarHBondContact O-CB 3.46Å; A290-Q294 WeakPolarHBondContact O-CG 3.23Å; A290-Q294 PolarHBondContact O-N 3.44Å; W291-Q294 PolarHBondContact O-N 2.74Å; Q294-L296 VanDerWaalsContact C-N 3.29Å; Q294-L296 PolarHBondContact O-N 3.35Å; Q294-N297 PolarHBondContact O-N 2.85Å; Q294-G298 PolarHBondContact O-N 3.14Å
295T77.5Confident72.3Confident36 Ų3679.7 Ų79.722%0.22141%0.412CS..Hα-helixtrans-63.8-35.5177.5-510000111.8W291 C292 N297 G298 A316W291-T295 PolarHBondContact O-N 3.29Å; W291-T295 PolarHBondContact O-OG1 3.43Å; C292-T295 PolarHBondContact O-N 3.32Å; T295-N297 VanDerWaalsContact C-N 3.34Å; T295-G298 PolarHBondContact O-N 3.29Å; T295-A316 HydrophobicContact CG2-CB 3.69Å
296L74.3Confident70.7Confident86 Ų8682.3 Ų82.345%0.4543%0.43SS..Hα-helixtrans-65.4-35.2174.8-80.2164.8000113.3C292 Q294 G298 A316C292-L296 WeakPolarHBondContact O-CB 3.26Å; C292-L296 WeakPolarHBondContact O-CD1 3.15Å; C292-L296 VanDerWaalsContact O-CG 3.32Å; C292-L296 WeakPolarHBondContact O-CG 3.24Å; C292-L296 PolarHBondContact O-N 2.79Å; Q294-L296 VanDerWaalsContact C-N 3.29Å; Q294-L296 PolarHBondContact O-N 3.35Å; L296-G298 PolarHBondContact O-N 2.94Å; L296-A316 VanDerWaalsContact CD1-O 3.3Å; L296-A316 WeakPolarHBondContact CD1-O 3.27Å; L296-A316 WeakPolarHBondContact CG-O 3.26Å
297N71.9Confident69Low122 Ų12283.8 Ų83.865%0.65245%0.448SS*.THydrogen-bonded Turntrans-80-1.5-178.8-69.9-21.5000113.5E293 Q294 T295 N299E293-N297 VanDerWaalsContact O-CG 3.3Å; E293-N297 PolarHBondContact O-N 3.1Å; E293-N297 PolarHBondContact O-ND2 3.21Å; Q294-N297 PolarHBondContact O-N 2.85Å; T295-N297 VanDerWaalsContact C-N 3.34Å; N297-N299 PolarHBondContact O-N 3.18Å
298G67.5Low67.5Low52 Ų5281.8 Ų81.854%0.53644%0.44SS..THydrogen-bonded Turntrans72.710.2177.600000114.8Q294 T295 L296 H300Q294-G298 PolarHBondContact O-N 3.14Å; T295-G298 PolarHBondContact O-N 3.29Å; L296-G298 PolarHBondContact O-N 2.94Å; G298-H300 VanDerWaalsContact C-N 3.27Å; G298-H300 PolarHBondContact O-N 3.29Å
299N58.8Low66.6Low123 Ų12384.2 Ų84.266%0.65845%0.449SS*.  trans-78.379176.2-72.1-6.1000109.4N297 E301N297-N299 PolarHBondContact O-N 3.18Å; N299-E301 VanDerWaalsContact C-N 3.28Å
300H55.9Low65.4Low140 Ų14087.8 Ų87.865%0.64847%0.469SS*.  trans-87.49.2173.2-97.7-70.8000113.2G298 D302G298-H300 VanDerWaalsContact C-N 3.27Å; G298-H300 PolarHBondContact O-N 3.29Å; H300-D302 PolarHBondContact O-N 2.95Å
301E47.8Very low64.6Low173 Ų17393 Ų9381%0.80848%0.481SS*.SBendtrans-81.9114.7-175.1-63.5-175.3166.700111.3N299N299-E301 VanDerWaalsContact C-N 3.28Å
302D48.3Very low64Low163 Ų16392.9 Ų92.987%0.87248%0.48SS*.SBendtrans69.138.7156.4-57.9-26.3000120.2H300H300-D302 PolarHBondContact O-N 2.95Å
303I50.6Low63.2Low103 Ų10395.6 Ų95.653%0.52850%0.502SS..  trans-111.8120.5159.5-52.6176.7000107.2E305I303-E305 HydrophobicContact CB-CG 4.39Å; I303-E305 HydrophobicContact CG2-CG 4.39Å; I303-E305 PolarHBondContact O-N 3.44Å
304D47.9Very low62.7Low169 Ų169100.9 Ų100.990%0.90452%0.524SS*.  trans-55.680.8163.4-94.2-33.7000108P306D304-P306 WeakPolarHBondContact O-CD 3.12Å
305E54.5Low62.3Low70 Ų7097.5 Ų97.533%0.32751%0.509SS..  trans-71.5124.3-177.2-81.3-155.1120.700107.6W291 I303 V307 R309W291-E305 PolarHBondContact NE1-OE1 2.93Å; I303-E305 HydrophobicContact CB-CG 4.39Å; I303-E305 HydrophobicContact CG2-CG 4.39Å; I303-E305 PolarHBondContact O-N 3.44Å; E305-V307 PolarHBondContact O-N 3.25Å; E305-V307 VanDerWaalsContact O-N 3.08Å; E305-R309 WeakPolarHBondContact OE1-CD 3.49Å; E305-R309 IonicContact OE1-NH1 3.98Å; E305-R309 PolarHBondContact OE1-NH1 3.33Å
306P56.5Low61.8Low56 Ų5696 Ų9636%0.36450%0.5SS..  trans-60.1124.5172.123.1-29.3000107.4D304 A308 R309D304-P306 WeakPolarHBondContact O-CD 3.12Å; P306-A308 PolarHBondContact O-N 2.97Å; P306-R309 HydrophobicContact CG-CG 4.3Å; P306-R309 PolarHBondContact O-N 2.77Å
307V54.2Low61.5Low117 Ų11798.7 Ų98.771%0.70951%0.51SS*.G310 helixtrans-40.4-20.1177.8-179.70000114E305 R309E305-V307 PolarHBondContact O-N 3.25Å; E305-V307 VanDerWaalsContact O-N 3.08Å; V307-R309 VanDerWaalsContact C-N 3.27Å; V307-R309 PolarHBondContact O-N 2.95Å
308A57.1Low61.7Low17 Ų1793.7 Ų93.714%0.1448%0.484CS..G310 helixtrans-60.4-26.6173.200000115.2E269 P306E269-A308 WeakPolarHBondContact OE2-CB 3.46Å; P306-A308 PolarHBondContact O-N 2.97Å
309R69Low62.2Low51 Ų5199 Ų9919%0.19250%0.495CS..G310 helixtrans-77.4-21.7-171.6-67.5-177-179.2175.20.9115.1W291 E305 P306 V307 R311 F312W291-R309 HydrophobicContact CZ2-CB 4.16Å; E305-R309 WeakPolarHBondContact OE1-CD 3.49Å; E305-R309 IonicContact OE1-NH1 3.98Å; E305-R309 PolarHBondContact OE1-NH1 3.33Å; P306-R309 HydrophobicContact CG-CG 4.3Å; P306-R309 PolarHBondContact O-N 2.77Å; V307-R309 VanDerWaalsContact C-N 3.27Å; V307-R309 PolarHBondContact O-N 2.95Å; R309-R311 PolarHBondContact O-N 2.78Å; R309-F312 WeakPolarHBondContact O-CB 3.44Å; R309-F312 PolarHBondContact O-N 2.79Å
310E62.2Low63.2Low150 Ų15095 Ų9570%0.70147%0.472SS*.G310 helixtrans-52.8-31.5176.4-66.6180176.400112.9F312 A313E310-F312 PolarHBondContact O-N 2.82Å; E310-A313 WeakPolarHBondContact O-CB 3.31Å; E310-A313 PolarHBondContact O-N 3.29Å; E310-A313 VanDerWaalsContact O-N 3.11Å
311R68.7Low64.2Low147 Ų14790.6 Ų90.656%0.55546%0.456SS*.G310 helixtrans-65.7-24.7-180-62.6-175.9-175.2153.212.4113.2R309 A313R309-R311 PolarHBondContact O-N 2.78Å; R311-A313 VanDerWaalsContact C-N 3.32Å
312F73.2Confident65.4Low8 Ų886 Ų864%0.03546%0.455CS..G310 helixtrans-90.73.7179.4-55.9-56.8000112.2E265 I266 E269 F270 W291 R309 E310 K314 L315 A316E265-F312 HydrophobicContact CB-CE1 4.03Å; E265-F312 HydrophobicContact CB-CZ 3.94Å; I266-F312 HydrophobicContact CG1-CD1 4.24Å; I266-F312 HydrophobicContact CG1-CE1 3.78Å; I266-F312 HydrophobicContact CG1-CZ 4.2Å; E269-F312 HydrophobicContact CB-CE2 4.16Å; E269-F312 HydrophobicContact CG-CE2 4.18Å; F270-F312 HydrophobicContact CE2-CD2 4.38Å; F270-F312 HydrophobicContact CE2-CE2 4.33Å; W291-F312 HydrophobicContact CH2-CB 3.33Å; W291-F312 HydrophobicContact CH2-CG 4.5Å; W291-F312 HydrophobicContact CZ2-CB 4.23Å; W291-F312 HydrophobicContact CZ3-CB 3.65Å; R309-F312 WeakPolarHBondContact O-CB 3.44Å; R309-F312 PolarHBondContact O-N 2.79Å; E310-F312 PolarHBondContact O-N 2.82Å; F312-K314 PolarHBondContact O-N 3.08Å; F312-K314 VanDerWaalsContact O-N 3.08Å; F312-L315 HydrophobicContact CB-CD1 4.43Å; F312-L315 HydrophobicContact CD1-CD1 3.76Å; F312-L315 CarbonylContact O-C 3.54Å; F312-L315 WeakPolarHBondContact O-CA 3.41Å; F312-L315 WeakPolarHBondContact O-CB 3.49Å; F312-L315 PolarHBondContact O-N 3.2Å; F312-A316 PolarHBondContact O-N 2.93Å
313A69.4Low66.9Low56 Ų5681.8 Ų81.846%0.46344%0.438SS..G310 helixtrans-52.9-35178.200000112.8E310 R311 L315 A316E310-A313 WeakPolarHBondContact O-CB 3.31Å; E310-A313 PolarHBondContact O-N 3.29Å; E310-A313 VanDerWaalsContact O-N 3.11Å; R311-A313 VanDerWaalsContact C-N 3.32Å; A313-L315 PolarHBondContact O-N 3.37Å; A313-A316 WeakPolarHBondContact O-CB 3.45Å; A313-A316 PolarHBondContact O-N 3.44Å
314K70.8Confident68.6Low191 Ų19177.2 Ų77.283%0.8341%0.414SS*.G310 helixtrans-67.3-22.9175.1-63.8-173.4180-174.80114F312F312-K314 PolarHBondContact O-N 3.08Å; F312-K314 VanDerWaalsContact O-N 3.08Å
315L73.4Confident70.5Confident17 Ų1769.8 Ų69.89%0.08938%0.375CS..G310 helixtrans-94.3-6.1179.3-54.6176.2000112.4I258 T262 I266 F312 A313 H317 C318I258-L315 HydrophobicContact CG1-CD2 4.18Å; T262-L315 HydrophobicContact CG2-CD1 3.49Å; T262-L315 VanDerWaalsContact CG2-CD1 3.49Å; I266-L315 HydrophobicContact CD1-CD1 4.05Å; F312-L315 HydrophobicContact CB-CD1 4.43Å; F312-L315 HydrophobicContact CD1-CD1 3.76Å; F312-L315 CarbonylContact O-C 3.54Å; F312-L315 WeakPolarHBondContact O-CA 3.41Å; F312-L315 WeakPolarHBondContact O-CB 3.49Å; F312-L315 PolarHBondContact O-N 3.2Å; A313-L315 PolarHBondContact O-N 3.37Å; L315-H317 PolarHBondContact O-N 3.37Å; L315-C318 VanDerWaalsContact CA-SG 3.56Å; L315-C318 VanDerWaalsContact O-CB 3.25Å; L315-C318 WeakPolarHBondContact O-CB 3.34Å; L315-C318 PolarHBondContact O-N 3.04Å; L315-C318 PolarHBondContact O-SG 3.1Å
316A66.3Low72.1Confident4 Ų467.5 Ų67.53%0.03337%0.365CS..THydrogen-bonded Turntrans-57.9-30.7175.300000111.1T295 L296 F312 A313 C318T295-A316 HydrophobicContact CG2-CB 3.69Å; L296-A316 VanDerWaalsContact CD1-O 3.3Å; L296-A316 WeakPolarHBondContact CD1-O 3.27Å; L296-A316 WeakPolarHBondContact CG-O 3.26Å; F312-A316 PolarHBondContact O-N 2.93Å; A313-A316 WeakPolarHBondContact O-CB 3.45Å; A313-A316 PolarHBondContact O-N 3.44Å; A316-C318 VanDerWaalsContact C-N 3.34Å; A316-C318 PolarHBondContact O-N 3.21Å
317H68.3Low73.8Confident144 Ų14467.7 Ų67.767%0.66737%0.367SS*.THydrogen-bonded Turntrans-88.79.8178.1-51-59.7000114.8L315 Q319L315-H317 PolarHBondContact O-N 3.37Å; H317-Q319 PolarHBondContact O-N 3.46Å
318C75.8Confident75.5Confident16 Ų1667.3 Ų67.311%0.10836%0.36CS..PPolyproline II helixtrans-64.1131.2179.6-76.80000111.1V255 L315 A316V255-C318 HydrophobicContact CG1-CB 3.82Å; L315-C318 VanDerWaalsContact CA-SG 3.56Å; L315-C318 VanDerWaalsContact O-CB 3.25Å; L315-C318 WeakPolarHBondContact O-CB 3.34Å; L315-C318 PolarHBondContact O-N 3.04Å; L315-C318 PolarHBondContact O-SG 3.1Å; A316-C318 VanDerWaalsContact C-N 3.34Å; A316-C318 PolarHBondContact O-N 3.21Å
319Q77.1Confident77.1Confident165 Ų16567 Ų6777%0.77136%0.356SS*.PPolyproline II helixtrans-84.9123.6170-64.1-177.59.200109.4H317H317-Q319 PolarHBondContact O-N 3.46Å
320F80.3Confident78.2Confident39 Ų3965.2 Ų65.217%0.17135%0.35CS..PPolyproline II helixtrans-87.2140.8176-64.1-75.7000110.9V255 F288 R289 C292 F324V255-F320 HydrophobicContact CG1-CD1 4.46Å; V255-F320 HydrophobicContact CG1-CE1 4.44Å; V255-F320 HydrophobicContact CG2-CD1 3.93Å; V255-F320 HydrophobicContact CG2-CE1 4.21Å; F288-F320 HydrophobicContact CD1-CE1 4.02Å; F288-F320 HydrophobicContact CD1-CZ 4.17Å; F288-F320 AromaticContact CE1-CE1 3.74Å; F288-F320 HydrophobicContact CE1-CE1 3.74Å; F288-F320 AromaticContact CE1-CZ 3.89Å; F288-F320 HydrophobicContact CE1-CZ 3.89Å; R289-F320 HydrophobicContact CB-CE2 4.36Å; R289-F320 HydrophobicContact CB-CZ 4.28Å; R289-F320 HydrophobicContact CG-CD2 4.04Å; R289-F320 HydrophobicContact CG-CE2 4.03Å; R289-F320 HydrophobicContact CG-CG 4.45Å; R289-F320 HydrophobicContact CG-CZ 4.42Å; C292-F320 HydrophobicContact CB-CE2 3.68Å; C292-F320 HydrophobicContact CB-CZ 3.85Å; F320-F324 HydrophobicContact CB-CB 4.2Å; F320-F324 HydrophobicContact CB-CD1 4.35Å; F320-F324 AromaticContact CD1-CD1 3.38Å; F320-F324 HydrophobicContact CD1-CD1 3.38Å; F320-F324 AromaticContact CD1-CE1 3.65Å; F320-F324 HydrophobicContact CD1-CE1 3.65Å; F320-F324 HydrophobicContact CD1-CG 4.1Å; F320-F324 AromaticContact CE1-CD1 3.98Å; F320-F324 HydrophobicContact CE1-CD1 3.98Å; F320-F324 AromaticContact CE1-CE1 3.79Å; F320-F324 HydrophobicContact CE1-CE1 3.79Å; F320-F324 HydrophobicContact CG-CD1 4.13Å
321P76Confident79.6Confident46 Ų4660.9 Ų60.930%0.29933%0.331SS..PPolyproline II helixtrans-55.6141.7164.5-20.731.2000110.1S323 F324P321-S323 VanDerWaalsContact C-N 3.31Å; P321-S323 PolarHBondContact O-N 3.35Å; P321-F324 HydrophobicContact CB-CB 4.39Å; P321-F324 WeakPolarHBondContact O-CB 3.25Å; P321-F324 PolarHBondContact O-N 3.19Å
322G74.1Confident80.6Confident77 Ų7755 Ų5579%0.79432%0.315SS*.THydrogen-bonded Turntrans-53.5-37.3-165.800000116.5
323S80.1Confident81.6Confident74 Ų7454.7 Ų54.752%0.51731%0.313SS..THydrogen-bonded Turntrans-91.61017857.20000114.4P321 P325 D326P321-S323 VanDerWaalsContact C-N 3.31Å; P321-S323 PolarHBondContact O-N 3.35Å; S323-P325 CarbonylContact O-C 3.6Å; S323-D326 WeakPolarHBondContact CB-OD2 3.31Å; S323-D326 VanDerWaalsContact O-CA 3.23Å; S323-D326 WeakPolarHBondContact O-CA 3.49Å; S323-D326 PolarHBondContact O-N 3.36Å; S323-D326 PolarHBondContact OG-OD2 2.89Å
324F84.9Confident82.7Confident7 Ų754 Ų543%0.03130%0.301CS..  trans-73.1134.2-173.8-177.3-88000113M245 L246 V255 L285 R289 F320 P321M245-F324 HydrophobicContact CB-CE2 4.25Å; L246-F324 HydrophobicContact CD2-CZ 3.78Å; L246-F324 HydrophobicContact CG-CZ 4.46Å; V255-F324 HydrophobicContact CG2-CD2 4.37Å; V255-F324 HydrophobicContact CG2-CE1 4.48Å; V255-F324 HydrophobicContact CG2-CE2 4Å; V255-F324 HydrophobicContact CG2-CZ 4.07Å; L285-F324 HydrophobicContact CB-CE1 4.26Å; L285-F324 HydrophobicContact CB-CZ 4.24Å; L285-F324 HydrophobicContact CD1-CE2 4.36Å; L285-F324 HydrophobicContact CD1-CZ 4Å; L285-F324 HydrophobicContact CD2-CZ 4.19Å; L285-F324 HydrophobicContact CG-CZ 4.37Å; R289-F324 WeakPolarHBondContact CD-O 3.38Å; R289-F324 PolarHBondContact NH1-O 3.27Å; F320-F324 HydrophobicContact CB-CB 4.2Å; F320-F324 HydrophobicContact CB-CD1 4.35Å; F320-F324 AromaticContact CD1-CD1 3.38Å; F320-F324 HydrophobicContact CD1-CD1 3.38Å; F320-F324 AromaticContact CD1-CE1 3.65Å; F320-F324 HydrophobicContact CD1-CE1 3.65Å; F320-F324 HydrophobicContact CD1-CG 4.1Å; F320-F324 AromaticContact CE1-CD1 3.98Å; F320-F324 HydrophobicContact CE1-CD1 3.98Å; F320-F324 AromaticContact CE1-CE1 3.79Å; F320-F324 HydrophobicContact CE1-CE1 3.79Å; F320-F324 HydrophobicContact CG-CD1 4.13Å; P321-F324 HydrophobicContact CB-CB 4.39Å; P321-F324 WeakPolarHBondContact O-CB 3.25Å; P321-F324 PolarHBondContact O-N 3.19Å
325P88.9Confident83.7Confident13 Ų1354 Ų548%0.08430%0.296CS..SBendcis-76.1129.2-10.532.2-34.9000111.3M245 L282 L285 R286 S323 P327M245-P325 HydrophobicContact CE-CB 3.72Å; L282-P325 HydrophobicContact CD2-CB 4.22Å; L285-P325 HydrophobicContact CB-CB 3.74Å; L285-P325 HydrophobicContact CB-CG 3.83Å; L285-P325 HydrophobicContact CD1-CB 3.86Å; L285-P325 HydrophobicContact CG-CB 4.46Å; R286-P325 HydrophobicContact CG-CG 3.85Å; S323-P325 CarbonylContact O-C 3.6Å; P325-P327 VanDerWaalsContact O-CD 3.32Å; P325-P327 WeakPolarHBondContact O-CD 3.49Å
326D88.6Confident84.6Confident22 Ų2254.6 Ų54.612%0.11830%0.301CS..  trans-83.2113.8-176.9-165.3-37.1000110.5M245 S323 L328 I329 F330M245-D326 VanDerWaalsContact CE-N 3.35Å; M245-D326 WeakPolarHBondContact CE-O 3.39Å; S323-D326 WeakPolarHBondContact CB-OD2 3.31Å; S323-D326 VanDerWaalsContact O-CA 3.23Å; S323-D326 WeakPolarHBondContact O-CA 3.49Å; S323-D326 PolarHBondContact O-N 3.36Å; S323-D326 PolarHBondContact OG-OD2 2.89Å; D326-L328 PolarHBondContact O-N 2.81Å; D326-L328 VanDerWaalsContact OD1-CB 3.29Å; D326-L328 WeakPolarHBondContact OD1-CB 3.4Å; D326-L328 PolarHBondContact OD1-N 3.11Å; D326-I329 HydrophobicContact CB-CB 4.4Å; D326-I329 HydrophobicContact CB-CD1 3.84Å; D326-I329 HydrophobicContact CB-CG1 3.92Å; D326-I329 PolarHBondContact O-N 3.39Å; D326-F330 PolarHBondContact O-N 3.06Å
327P91Very high85.8Confident61 Ų6161.4 Ų61.440%0.39633%0.326SS..Hα-helixtrans-64.8-26.6-178.526.9-34.5000112.6L282 P325 I329 F330 D331L282-P327 HydrophobicContact CD1-CB 3.82Å; P325-P327 VanDerWaalsContact O-CD 3.32Å; P325-P327 WeakPolarHBondContact O-CD 3.49Å; P327-I329 VanDerWaalsContact C-N 3.29Å; P327-I329 PolarHBondContact O-N 3.27Å; P327-F330 PolarHBondContact O-N 3.25Å; P327-D331 PolarHBondContact O-N 3.31Å
328L89.9Confident86.9Confident109 Ų10956.5 Ų56.557%0.57131%0.306SS*.Hα-helixtrans-67.1-33.8178.7-61174.1000111.6L86 D326 A332L86-L328 HydrophobicContact CD1-CB 4.14Å; D326-L328 PolarHBondContact O-N 2.81Å; D326-L328 VanDerWaalsContact OD1-CB 3.29Å; D326-L328 WeakPolarHBondContact OD1-CB 3.4Å; D326-L328 PolarHBondContact OD1-N 3.11Å; L328-A332 WeakPolarHBondContact O-CB 3.26Å; L328-A332 PolarHBondContact O-N 3.37Å
329I90.4Very high87.8Confident10 Ų1059.1 Ų59.15%0.05132%0.319CS..Hα-helixtrans-69.2-42.9175.9-61.8-179.9000109.8L86 M245 Y251 T252 D326 P327 A332 F333L86-I329 HydrophobicContact CD1-CG1 4.07Å; L86-I329 HydrophobicContact CD2-CG1 4.38Å; M245-I329 HydrophobicContact CG-CG2 4.28Å; Y251-I329 WeakPolarHBondContact O-CD1 3.35Å; T252-I329 HydrophobicContact CG2-CD1 4.38Å; D326-I329 HydrophobicContact CB-CB 4.4Å; D326-I329 HydrophobicContact CB-CD1 3.84Å; D326-I329 HydrophobicContact CB-CG1 3.92Å; D326-I329 PolarHBondContact O-N 3.39Å; P327-I329 VanDerWaalsContact C-N 3.29Å; P327-I329 PolarHBondContact O-N 3.27Å; I329-A332 PolarHBondContact O-N 2.87Å; I329-F333 HydrophobicContact CG2-CD2 4.14Å; I329-F333 HydrophobicContact CG2-CE2 3.91Å; I329-F333 VanDerWaalsContact O-CD2 3.3Å; I329-F333 WeakPolarHBondContact O-CD2 3.43Å; I329-F333 PolarHBondContact O-N 3.39Å
330F91.9Very high88.5Confident14 Ų1459.8 Ų59.86%0.06132%0.322CS..Hα-helixtrans-62.6-48.6178.6-170.9-98.3000111.8V241 L242 M245 L282 D326 P327 A332 F333 L334V241-F330 HydrophobicContact CB-CD2 4.18Å; V241-F330 HydrophobicContact CB-CE2 4.15Å; V241-F330 HydrophobicContact CG1-CD2 3.48Å; V241-F330 VanDerWaalsContact CG1-CD2 3.48Å; V241-F330 HydrophobicContact CG1-CE2 3.95Å; V241-F330 HydrophobicContact CG1-CG 4.29Å; L242-F330 HydrophobicContact CD2-CD2 4.11Å; L242-F330 HydrophobicContact CD2-CE2 3.77Å; L242-F330 HydrophobicContact CG-CE2 4.36Å; M245-F330 HydrophobicContact SD-CB 4.26Å; M245-F330 HydrophobicContact SD-CD2 4.2Å; L282-F330 HydrophobicContact CD1-CB 4.14Å; L282-F330 HydrophobicContact CD1-CD1 4.21Å; L282-F330 HydrophobicContact CD1-CG 4.17Å; L282-F330 HydrophobicContact CD2-CB 3.8Å; L282-F330 HydrophobicContact CD2-CD1 4.33Å; L282-F330 HydrophobicContact CD2-CD2 3.56Å; L282-F330 HydrophobicContact CD2-CE2 4.23Å; L282-F330 HydrophobicContact CD2-CG 3.64Å; L282-F330 HydrophobicContact CG-CB 4.3Å; L282-F330 HydrophobicContact CG-CD1 4.12Å; L282-F330 HydrophobicContact CG-CD2 4.16Å; L282-F330 HydrophobicContact CG-CE1 4.49Å; L282-F330 HydrophobicContact CG-CG 3.94Å; D326-F330 PolarHBondContact O-N 3.06Å; P327-F330 PolarHBondContact O-N 3.25Å; F330-A332 VanDerWaalsContact C-N 3.33Å; F330-A332 PolarHBondContact O-N 3.07Å; F330-F333 PolarHBondContact O-N 2.84Å; F330-L334 HydrophobicContact CD1-CD1 3.84Å; F330-L334 HydrophobicContact CD1-CG 4.48Å; F330-L334 HydrophobicContact CE1-CD1 3.18Å; F330-L334 HydrophobicContact CE1-CG 4.17Å; F330-L334 HydrophobicContact CE2-CD1 4.34Å; F330-L334 HydrophobicContact CZ-CD1 3.46Å; F330-L334 VanDerWaalsContact CZ-CD1 3.46Å; F330-L334 HydrophobicContact CZ-CG 4.32Å; F330-L334 PolarHBondContact O-N 3.31Å; F330-L334 VanDerWaalsContact O-N 3.09Å
331D91.6Very high88.9Confident58 Ų5859 Ų5931%0.3132%0.321SS..Hα-helixtrans-65.2-35176.2-83.3-36.3000112.3P327 F333 L334 R335P327-D331 PolarHBondContact O-N 3.31Å; D331-F333 VanDerWaalsContact C-N 3.27Å; D331-F333 PolarHBondContact O-N 3.39Å; D331-L334 PolarHBondContact O-N 3.27Å; D331-R335 CarbonylContact O-C 3.01Å; D331-R335 WeakPolarHBondContact O-CA 3.39Å; D331-R335 PolarHBondContact O-N 3.43Å; D331-R335 IonicContact OD1-CZ 2.84Å; D331-R335 IonicContact OD1-NE 2.77Å; D331-R335 PolarHBondContact OD1-NE 2.96Å; D331-R335 IonicContact OD1-NH2 2.81Å; D331-R335 PolarHBondContact OD1-NH2 3.32Å
332A91.3Very high89.5Confident25 Ų2561 Ų6121%0.20733%0.329CS..Hα-helixtrans-60.9-35177.100000113L86 Y251 L328 I329 F330L86-A332 HydrophobicContact CD1-CB 4.49Å; Y251-A332 HydrophobicContact CD1-CB 4.33Å; Y251-A332 HydrophobicContact CE1-CB 4.03Å; L328-A332 WeakPolarHBondContact O-CB 3.26Å; L328-A332 PolarHBondContact O-N 3.37Å; I329-A332 PolarHBondContact O-N 2.87Å; F330-A332 VanDerWaalsContact C-N 3.33Å; F330-A332 PolarHBondContact O-N 3.07Å
333F93.6Very high90.1Very high0 Ų060.3 Ų60.30%031%0.307CS..Hα-helixtrans-82-38.2176-75.6-62000113.4D201 L204 F205 R237 V241 Y251 I329 F330 D331D201-F333 HydrophobicContact CB-CE1 4.49Å; L204-F333 HydrophobicContact CB-CB 4.22Å; L204-F333 HydrophobicContact CB-CD1 3.39Å; L204-F333 HydrophobicContact CB-CE1 3.8Å; L204-F333 HydrophobicContact CB-CG 3.82Å; L204-F333 HydrophobicContact CD1-CD1 3.89Å; L204-F333 HydrophobicContact CD1-CD2 4.24Å; L204-F333 HydrophobicContact CD1-CE1 3.48Å; L204-F333 VanDerWaalsContact CD1-CE1 3.48Å; L204-F333 HydrophobicContact CD1-CE2 3.85Å; L204-F333 HydrophobicContact CD1-CG 4.25Å; L204-F333 HydrophobicContact CD1-CZ 3.45Å; L204-F333 VanDerWaalsContact CD1-CZ 3.45Å; L204-F333 HydrophobicContact CG-CD1 4.31Å; L204-F333 HydrophobicContact CG-CE1 4.28Å; F205-F333 HydrophobicContact CD1-CD1 4.01Å; F205-F333 AromaticContact CE1-CD1 3.59Å; F205-F333 HydrophobicContact CE1-CD1 3.59Å; F205-F333 HydrophobicContact CE1-CE1 4.12Å; F205-F333 HydrophobicContact CE2-CD1 4.17Å; F205-F333 HydrophobicContact CE2-CE1 4.04Å; F205-F333 HydrophobicContact CG-CD1 4.48Å; F205-F333 AromaticContact CZ-CD1 3.68Å; F205-F333 HydrophobicContact CZ-CD1 3.68Å; F205-F333 AromaticContact CZ-CE1 3.71Å; F205-F333 HydrophobicContact CZ-CE1 3.71Å; R237-F333 PolarHBondContact NH2-O 3.08Å; V241-F333 HydrophobicContact CG1-CB 4.19Å; V241-F333 HydrophobicContact CG1-CD2 4.04Å; V241-F333 HydrophobicContact CG2-CB 3.81Å; V241-F333 HydrophobicContact CG2-CG 4.43Å; Y251-F333 AromaticContact CD2-CE1 3.91Å; Y251-F333 HydrophobicContact CD2-CE1 3.91Å; Y251-F333 HydrophobicContact CD2-CE2 4.02Å; Y251-F333 AromaticContact CD2-CZ 3.32Å; Y251-F333 HydrophobicContact CD2-CZ 3.32Å; Y251-F333 AromaticContact CE2-CE1 3.85Å; Y251-F333 HydrophobicContact CE2-CE1 3.85Å; Y251-F333 AromaticContact CE2-CZ 3.77Å; Y251-F333 HydrophobicContact CE2-CZ 3.77Å; Y251-F333 HydrophobicContact CG-CE2 4.03Å; Y251-F333 AromaticContact CG-CZ 3.81Å; Y251-F333 HydrophobicContact CG-CZ 3.81Å; I329-F333 HydrophobicContact CG2-CD2 4.14Å; I329-F333 HydrophobicContact CG2-CE2 3.91Å; I329-F333 VanDerWaalsContact O-CD2 3.3Å; I329-F333 WeakPolarHBondContact O-CD2 3.43Å; I329-F333 PolarHBondContact O-N 3.39Å; F330-F333 PolarHBondContact O-N 2.84Å; D331-F333 VanDerWaalsContact C-N 3.27Å; D331-F333 PolarHBondContact O-N 3.39Å
334L92.5Very high90.1Very high41 Ų4167.4 Ų67.422%0.21532%0.322CS..Hα-helixtrans-78.8-35.6-178.2-71.3-170.1000113.5R237 E238 V241 F330 D331 P336R237-L334 HydrophobicContact CG-CD2 4.1Å; R237-L334 PolarHBondContact NH2-O 2.78Å; E238-L334 HydrophobicContact CG-CD1 4.42Å; E238-L334 HydrophobicContact CG-CD2 4.44Å; V241-L334 HydrophobicContact CG2-CD2 4.32Å; F330-L334 HydrophobicContact CD1-CD1 3.84Å; F330-L334 HydrophobicContact CD1-CG 4.48Å; F330-L334 HydrophobicContact CE1-CD1 3.18Å; F330-L334 HydrophobicContact CE1-CG 4.17Å; F330-L334 HydrophobicContact CE2-CD1 4.34Å; F330-L334 HydrophobicContact CZ-CD1 3.46Å; F330-L334 VanDerWaalsContact CZ-CD1 3.46Å; F330-L334 HydrophobicContact CZ-CG 4.32Å; F330-L334 PolarHBondContact O-N 3.31Å; F330-L334 VanDerWaalsContact O-N 3.09Å; D331-L334 PolarHBondContact O-N 3.27Å; L334-P336 WeakPolarHBondContact O-CD 3.33Å
335R91.6Very high90.1Very high191 Ų19170.9 Ų70.972%0.72134%0.344SS*.SBendtrans-123.459.6-178.8-64-176.8-105.2-159.4-3.6110.5D331D331-R335 CarbonylContact O-C 3.01Å; D331-R335 WeakPolarHBondContact O-CA 3.39Å; D331-R335 PolarHBondContact O-N 3.43Å; D331-R335 IonicContact OD1-CZ 2.84Å; D331-R335 IonicContact OD1-NE 2.77Å; D331-R335 PolarHBondContact OD1-NE 2.96Å; D331-R335 IonicContact OD1-NH2 2.81Å; D331-R335 PolarHBondContact OD1-NH2 3.32Å
336P92.3Very high90Very high31 Ų3171 Ų7120%0.20134%0.344CS..  trans-67.3150.8177.732.3-36.4000110.3A181 F205 L334 V338A181-P336 HydrophobicContact CB-CB 3.61Å; A181-P336 HydrophobicContact CB-CG 3.89Å; F205-P336 HydrophobicContact CD1-CB 3.83Å; F205-P336 HydrophobicContact CD1-CG 3.93Å; F205-P336 HydrophobicContact CE1-CB 3.95Å; L334-P336 WeakPolarHBondContact O-CD 3.33Å; P336-V338 HydrophobicContact CG-CG1 4.26Å; P336-V338 PolarHBondContact O-N 3.03Å
337R91Very high89.9Confident147 Ų14771.4 Ų71.456%0.55535%0.348SS*.  trans-71.6122.9169.9-167.5176.3178.8167.1-3.6108.6E82 P176E82-R337 IonicContact OE1-CZ 3.32Å; E82-R337 IonicContact OE1-NH1 3.62Å; E82-R337 PolarHBondContact OE1-NH1 3.18Å; E82-R337 IonicContact OE1-NH2 3.01Å; E82-R337 VanDerWaalsContact OE2-CD 3.26Å; E82-R337 WeakPolarHBondContact OE2-CD 3.33Å; E82-R337 IonicContact OE2-CZ 3.5Å; E82-R337 IonicContact OE2-NE 3.92Å; E82-R337 PolarHBondContact OE2-NE 3.44Å; E82-R337 IonicContact OE2-NH1 2.87Å; E82-R337 PolarHBondContact OE2-NH1 3.48Å; P176-R337 HydrophobicContact CB-CG 4.02Å; P176-R337 HydrophobicContact CG-CB 4.33Å; P176-R337 HydrophobicContact CG-CG 3.87Å; P176-R337 VanDerWaalsContact CG-O 3.31Å; P176-R337 WeakPolarHBondContact CG-O 3.48Å
338V92.9Very high89.7Confident40 Ų4071 Ų7124%0.24234%0.339CS..  trans-140.3147.2179.3-66.70000109.1A181 W185 P336A181-V338 HydrophobicContact CB-CG1 3.91Å; A181-V338 WeakPolarHBondContact O-CG1 2.97Å; W185-V338 HydrophobicContact CB-CB 4.16Å; W185-V338 HydrophobicContact CB-CG1 4.17Å; W185-V338 HydrophobicContact CB-CG2 4.18Å; W185-V338 VanDerWaalsContact CD1-CG2 3.47Å; W185-V338 HydrophobicContact CG-CB 4.17Å; W185-V338 HydrophobicContact CG-CG2 3.82Å; P336-V338 HydrophobicContact CG-CG1 4.26Å; P336-V338 PolarHBondContact O-N 3.03Å
339D92.7Very high89.5Confident71 Ų7168.7 Ų68.738%0.3833%0.33SS..  trans-95.8142.7178.5-72-18000110.1Q182 V341Q182-D339 PolarHBondContact NE2-O 3.35Å; Q182-D339 PolarHBondContact OE1-O 3.33Å; D339-V341 PolarHBondContact O-N 3.03Å
340Q92Very high89.3Confident179 Ų17971.9 Ų71.984%0.83635%0.346SS*.  trans-76.4122.3174.6-64.1-176.2-300109.9W185W185-Q340 HydrophobicContact CH2-CB 4.13Å; W185-Q340 HydrophobicContact CH2-CG 4.41Å; W185-Q340 HydrophobicContact CZ2-CB 4.1Å; W185-Q340 HydrophobicContact CZ2-CG 3.88Å
341V89.6Confident89.1Confident24 Ų2471.7 Ų71.715%0.14535%0.346CS..  trans-113.2125.8178.3-177.30000109.1V173 W185 L186 I191 D339 L346V173-V341 HydrophobicContact CG1-CG2 3.84Å; V173-V341 HydrophobicContact CG2-CG1 4.27Å; V173-V341 HydrophobicContact CG2-CG2 4.44Å; W185-V341 VanDerWaalsContact CH2-N 3.34Å; W185-V341 HydrophobicContact CZ3-CB 4.13Å; W185-V341 VanDerWaalsContact CZ3-N 3.35Å; L186-V341 HydrophobicContact CD2-CB 4.09Å; L186-V341 HydrophobicContact CD2-CG1 4.48Å; L186-V341 HydrophobicContact CD2-CG2 4.35Å; I191-V341 WeakPolarHBondContact CD1-O 3.27Å; D339-V341 PolarHBondContact O-N 3.03Å; V341-L346 HydrophobicContact CG1-CD1 4.04Å; V341-L346 HydrophobicContact CG1-CD2 4.05Å; V341-L346 HydrophobicContact CG1-CG 4.17Å
342D88.2Confident89Confident88 Ų8871.5 Ų71.547%0.47135%0.345SS..  trans-81.5126.2173.2-178.84000110.1R344 T345D342-R344 PolarHBondContact O-N 3.47Å; D342-R344 VanDerWaalsContact O-N 3.11Å; D342-R344 WeakPolarHBondContact OD1-CG 3.31Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 VanDerWaalsContact OD1-N 3.09Å; D342-T345 HydrophobicContact CB-CG2 4.17Å; D342-T345 WeakPolarHBondContact O-CB 3.36Å; D342-T345 PolarHBondContact O-N 3.14Å; D342-T345 PolarHBondContact O-OG1 2.9Å
343D86.2Confident89Confident62 Ų6271.7 Ų71.733%0.33234%0.344SS..G310 helixtrans-55.1-29.7177.9-171.938.3000111.7K26 I191 T345 L346K26-D343 IonicContact NZ-OD1 2.78Å; K26-D343 PolarHBondContact NZ-OD1 3.19Å; K26-D343 IonicContact NZ-OD2 3.47Å; K26-D343 PolarHBondContact NZ-OD2 2.94Å; K26-D343 VanDerWaalsContact NZ-OD2 3.11Å; I191-D343 HydrophobicContact CG1-CB 4.35Å; I191-D343 HydrophobicContact CG2-CB 4.47Å; D343-T345 PolarHBondContact O-N 3.36Å; D343-L346 WeakPolarHBondContact O-CB 3.22Å; D343-L346 PolarHBondContact O-N 3.07Å
344R81.7Confident88.9Confident223 Ų22376.3 Ų76.384%0.84237%0.369SS*.G310 helixtrans-63.8-25.8178.5-62.1176.1-179.9-176.21.7113.4D342 L346D342-R344 PolarHBondContact O-N 3.47Å; D342-R344 VanDerWaalsContact O-N 3.11Å; D342-R344 WeakPolarHBondContact OD1-CG 3.31Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 VanDerWaalsContact OD1-N 3.09Å; R344-L346 VanDerWaalsContact C-N 3.26Å
345T84.6Confident88.7Confident79 Ų7978.8 Ų78.849%0.48538%0.378SS..G310 helixtrans-76.6-19.3177.767.40000112R164 D342 D343R164-T345 PolarHBondContact NH1-O 3.24Å; D342-T345 HydrophobicContact CB-CG2 4.17Å; D342-T345 WeakPolarHBondContact O-CB 3.36Å; D342-T345 PolarHBondContact O-N 3.14Å; D342-T345 PolarHBondContact O-OG1 2.9Å; D343-T345 PolarHBondContact O-N 3.36Å
346L86Confident88.6Confident16 Ų1669.7 Ų69.78%0.08434%0.343CS..  trans-91.8109.9-176.1-53.8175.3000109.3I75 P171 V173 I191 V341 D343 R344 W348I75-L346 HydrophobicContact CD1-CD1 3.74Å; I75-L346 HydrophobicContact CG1-CD1 4.27Å; P171-L346 HydrophobicContact CB-CB 4.41Å; P171-L346 HydrophobicContact CB-CD2 3.9Å; V173-L346 HydrophobicContact CG2-CD2 3.97Å; I191-L346 HydrophobicContact CG2-CD1 3.46Å; I191-L346 VanDerWaalsContact CG2-CD1 3.46Å; V341-L346 HydrophobicContact CG1-CD1 4.04Å; V341-L346 HydrophobicContact CG1-CD2 4.05Å; V341-L346 HydrophobicContact CG1-CG 4.17Å; D343-L346 WeakPolarHBondContact O-CB 3.22Å; D343-L346 PolarHBondContact O-N 3.07Å; R344-L346 VanDerWaalsContact C-N 3.26Å; L346-W348 HydrophobicContact CB-CH2 4.35Å; L346-W348 HydrophobicContact CB-CZ3 4.43Å
347S86Confident88.5Confident30 Ų3070.7 Ų70.721%0.2134%0.343CS..  trans-131.4147.8173.998.70000111R164R164-S347 PolarHBondContact NE-OG 3.24Å; R164-S347 PolarHBondContact NH2-OG 3.42Å
348W88.1Confident88.5Confident53 Ų5368.7 Ų68.720%0.20134%0.343CS..  trans-105.8128.9174.6-63.3-99.4000109.5K26 R73 A74 I75 G169 P171 L346K26-W348 HydrophobicContact CD-CH2 3.88Å; K26-W348 HydrophobicContact CG-CH2 4.07Å; K26-W348 HydrophobicContact CG-CZ2 4.33Å; R73-W348 HydrophobicContact CB-CD2 4.22Å; R73-W348 HydrophobicContact CB-CZ2 3.89Å; A74-W348 PolarHBondContact O-NE1 3.27Å; I75-W348 HydrophobicContact CD1-CH2 3.89Å; I75-W348 HydrophobicContact CD1-CZ2 3.75Å; I75-W348 HydrophobicContact CG1-CH2 4.14Å; I75-W348 HydrophobicContact CG1-CZ2 3.6Å; G169-W348 CarbonylContact O-C 3.59Å; G169-W348 VanDerWaalsContact O-CA 3.29Å; G169-W348 WeakPolarHBondContact O-CA 3.33Å; P171-W348 HydrophobicContact CG-CD2 4.33Å; P171-W348 HydrophobicContact CG-CZ2 3.99Å; L346-W348 HydrophobicContact CB-CH2 4.35Å; L346-W348 HydrophobicContact CB-CZ3 4.43Å
349T86.3Confident88.2Confident61 Ų6167.5 Ų67.537%0.37434%0.335SS..  trans-111.2163174.255.20000110.3R164 G169R164-T349 PolarHBondContact O-OG1 2.85Å; G169-T349 WeakPolarHBondContact CA-OG1 3.43Å; G169-T349 PolarHBondContact O-N 2.98Å
350L86.1Confident87.9Confident77 Ų7764.1 Ų64.140%0.40332%0.317SS..  trans-68.8145.9173.2-76168.2000110.3D352 A382 A383 Q386L350-D352 PolarHBondContact O-N 3.28Å; L350-A382 HydrophobicContact CD2-CB 4.28Å; L350-A383 HydrophobicContact CD2-CB 4.45Å; L350-Q386 VanDerWaalsContact CD2-CD 3.42Å; L350-Q386 HydrophobicContact CD2-CG 4.4Å; L350-Q386 VanDerWaalsContact CD2-OE1 3.25Å
351P86.9Confident87.7Confident9 Ų958.7 Ų58.76%0.05830%0.299CS..  trans-60.5132.6174.9-21.532.1000112L68 N167 F168 V353 I356 V379L68-P351 HydrophobicContact CD1-CG 3.63Å; L68-P351 HydrophobicContact CD2-CG 4.38Å; N167-P351 CarbonylContact O-C 3.58Å; N167-P351 VanDerWaalsContact O-CA 3.27Å; N167-P351 WeakPolarHBondContact O-CA 2.75Å; F168-P351 HydrophobicContact CD1-CB 4.32Å; F168-P351 HydrophobicContact CD1-CG 4.46Å; P351-V353 PolarHBondContact O-N 3.17Å; P351-I356 HydrophobicContact CB-CD1 3.69Å; P351-V379 HydrophobicContact CB-CG2 4.21Å; P351-V379 HydrophobicContact CG-CG2 4.37Å
352D89.6Confident87.5Confident54 Ų5462.2 Ų62.229%0.28932%0.321SS..  trans-80.9104.4175.7-172.7-36000109.5N167 L350 D354 K355 I356N167-D352 PolarHBondContact O-N 2.84Å; L350-D352 PolarHBondContact O-N 3.28Å; D352-D354 VanDerWaalsContact C-N 3.33Å; D352-D354 PolarHBondContact O-N 2.87Å; D352-D354 PolarHBondContact OD1-N 2.86Å; D352-K355 HydrophobicContact CB-CB 4.14Å; D352-K355 HydrophobicContact CB-CD 4.15Å; D352-K355 HydrophobicContact CB-CG 4.32Å; D352-K355 PolarHBondContact OD1-N 3.06Å; D352-K355 VanDerWaalsContact OD1-N 3.16Å; D352-K355 WeakPolarHBondContact OD2-CD 3.36Å; D352-K355 WeakPolarHBondContact OD2-CE 3.28Å; D352-K355 WeakPolarHBondContact OD2-CG 3.19Å; D352-K355 IonicContact OD2-NZ 3.73Å; D352-K355 PolarHBondContact OD2-NZ 3.37Å; D352-I356 WeakPolarHBondContact O-CB 3.44Å; D352-I356 WeakPolarHBondContact O-CD1 3.34Å; D352-I356 WeakPolarHBondContact O-CG1 3.23Å; D352-I356 PolarHBondContact O-N 2.89Å
353V91.3Very high87.2Confident30 Ų3059.2 Ų59.218%0.18230%0.303CS..Hα-helixtrans-60.3-42.8-172.31800000111.7P351 I356 R357 L375 L376 V379P351-V353 PolarHBondContact O-N 3.17Å; V353-I356 PolarHBondContact O-N 3.17Å; V353-R357 VanDerWaalsContact CG1-CZ 3.47Å; V353-R357 VanDerWaalsContact O-CG 3.3Å; V353-R357 WeakPolarHBondContact O-CG 3.32Å; V353-R357 PolarHBondContact O-N 2.7Å; V353-L375 HydrophobicContact CB-CD2 4.42Å; V353-L375 HydrophobicContact CG1-CD2 3.99Å; V353-L376 HydrophobicContact CG1-CD2 4.45Å; V353-V379 HydrophobicContact CG2-CG1 4.2Å; V353-V379 HydrophobicContact CG2-CG2 4.19Å
354D90.8Very high87Confident97 Ų9757.5 Ų57.552%0.51929%0.293SS..Hα-helixtrans-75.3-38.2-173.6-66.5-42.6000111.9D352 R357 N358D352-D354 VanDerWaalsContact C-N 3.33Å; D352-D354 PolarHBondContact O-N 2.87Å; D352-D354 PolarHBondContact OD1-N 2.86Å; D354-R357 PolarHBondContact O-N 3.06Å; D354-R357 IonicContact OD1-CZ 3.64Å; D354-R357 IonicContact OD1-NH1 2.78Å; D354-R357 PolarHBondContact OD1-NH1 3.34Å; D354-N358 PolarHBondContact O-N 3.04Å; D354-N358 PolarHBondContact O-ND2 2.77Å
355K88.5Confident87.1Confident92 Ų9249.9 Ų49.940%0.428%0.284SS..Hα-helixtrans-64.8-40.8172.9-67.6-178.6-169.9140.40111.7D165 Q166 D352 R357 N358 L359D165-K355 PolarHBondContact O-NZ 3.48Å; Q166-K355 VanDerWaalsContact O-CB 3.32Å; Q166-K355 WeakPolarHBondContact O-CB 3.33Å; Q166-K355 WeakPolarHBondContact O-CD 3.28Å; D352-K355 HydrophobicContact CB-CB 4.14Å; D352-K355 HydrophobicContact CB-CD 4.15Å; D352-K355 HydrophobicContact CB-CG 4.32Å; D352-K355 PolarHBondContact OD1-N 3.06Å; D352-K355 VanDerWaalsContact OD1-N 3.16Å; D352-K355 WeakPolarHBondContact OD2-CD 3.36Å; D352-K355 WeakPolarHBondContact OD2-CE 3.28Å; D352-K355 WeakPolarHBondContact OD2-CG 3.19Å; D352-K355 IonicContact OD2-NZ 3.73Å; D352-K355 PolarHBondContact OD2-NZ 3.37Å; K355-R357 PolarHBondContact O-N 3.05Å; K355-N358 PolarHBondContact O-N 3.35Å; K355-L359 VanDerWaalsContact O-CB 3.3Å; K355-L359 WeakPolarHBondContact O-CB 3.28Å; K355-L359 PolarHBondContact O-N 2.77Å
356I89.6Confident87.3Confident0 Ų046.9 Ų46.90%026%0.263CS..Hα-helixtrans-64.1-40.4175.9-66.8167000110.9F61 N167 F168 P351 D352 V353 N358 L359 T360 T371 L375F61-I356 HydrophobicContact CE2-CG2 3.74Å; F61-I356 HydrophobicContact CZ-CG2 4.37Å; N167-I356 HydrophobicContact CB-CG1 4.06Å; F168-I356 HydrophobicContact CD1-CD1 3.95Å; F168-I356 HydrophobicContact CD2-CD1 4.48Å; F168-I356 HydrophobicContact CE1-CD1 3.86Å; F168-I356 HydrophobicContact CE2-CD1 4.38Å; F168-I356 HydrophobicContact CE2-CG1 4.46Å; F168-I356 HydrophobicContact CG-CD1 4.32Å; F168-I356 HydrophobicContact CZ-CD1 4.1Å; F168-I356 HydrophobicContact CZ-CG2 4.47Å; P351-I356 HydrophobicContact CB-CD1 3.69Å; D352-I356 WeakPolarHBondContact O-CB 3.44Å; D352-I356 WeakPolarHBondContact O-CD1 3.34Å; D352-I356 WeakPolarHBondContact O-CG1 3.23Å; D352-I356 PolarHBondContact O-N 2.89Å; V353-I356 PolarHBondContact O-N 3.17Å; I356-N358 PolarHBondContact O-N 2.99Å; I356-L359 PolarHBondContact O-N 3.01Å; I356-T360 HydrophobicContact CG2-CG2 4.03Å; I356-T360 WeakPolarHBondContact O-CB 3.2Å; I356-T360 VanDerWaalsContact O-CG2 3.3Å; I356-T360 WeakPolarHBondContact O-CG2 3.3Å; I356-T360 PolarHBondContact O-N 3.04Å; I356-T360 PolarHBondContact O-OG1 2.77Å; I356-T371 HydrophobicContact CG2-CG2 4.32Å; I356-L375 HydrophobicContact CB-CD2 3.91Å; I356-L375 HydrophobicContact CD1-CD1 3.94Å; I356-L375 HydrophobicContact CD1-CD2 4.29Å; I356-L375 HydrophobicContact CG2-CD1 4.31Å; I356-L375 HydrophobicContact CG2-CD2 3.68Å
357R91.2Very high87.5Confident53 Ų5348.6 Ų48.620%0.228%0.277CS..Hα-helixtrans-59.1-46174.1-75.6166.5174.9161.4-6.1112.2V353 D354 K355 L359 T360 S361 T371 D372V353-R357 VanDerWaalsContact CG1-CZ 3.47Å; V353-R357 VanDerWaalsContact O-CG 3.3Å; V353-R357 WeakPolarHBondContact O-CG 3.32Å; V353-R357 PolarHBondContact O-N 2.7Å; D354-R357 PolarHBondContact O-N 3.06Å; D354-R357 IonicContact OD1-CZ 3.64Å; D354-R357 IonicContact OD1-NH1 2.78Å; D354-R357 PolarHBondContact OD1-NH1 3.34Å; K355-R357 PolarHBondContact O-N 3.05Å; R357-L359 VanDerWaalsContact C-N 3.34Å; R357-L359 PolarHBondContact O-N 3.36Å; R357-T360 WeakPolarHBondContact CA-OG1 3.47Å; R357-T360 PolarHBondContact O-OG1 2.81Å; R357-S361 WeakPolarHBondContact O-CB 3.35Å; R357-S361 PolarHBondContact O-N 3.31Å; R357-T371 HydrophobicContact CG-CG2 4.21Å; R357-D372 IonicContact CZ-OD1 2.8Å; R357-D372 VanDerWaalsContact CZ-OD1 3.32Å; R357-D372 IonicContact CZ-OD2 3.97Å; R357-D372 IonicContact NE-OD1 3.72Å; R357-D372 PolarHBondContact NE-OD1 2.78Å; R357-D372 IonicContact NE-OD2 3.3Å; R357-D372 IonicContact NH2-OD1 2.88Å; R357-D372 PolarHBondContact NH2-OD1 2.88Å; R357-D372 IonicContact NH2-OD2 3.32Å; R357-D372 PolarHBondContact NH2-OD2 3.44Å
358N89.7Confident87.9Confident104 Ų10453.4 Ų53.456%0.55629%0.294SS*.Hα-helixtrans-64.4-40.9177.8-68.5-22.3000111.8D354 K355 I356 T362D354-N358 PolarHBondContact O-N 3.04Å; D354-N358 PolarHBondContact O-ND2 2.77Å; K355-N358 PolarHBondContact O-N 3.35Å; I356-N358 PolarHBondContact O-N 2.99Å; N358-T362 WeakPolarHBondContact O-CB 3.49Å; N358-T362 PolarHBondContact O-N 3.49Å; N358-T362 PolarHBondContact O-OG1 2.9Å
359L86.3Confident88.1Confident15 Ų1556.4 Ų56.48%0.07931%0.31CS..Hα-helixtrans-65.5-48.4178.1179.1155.7000111.8N167 K355 I356 R357 S361 T362 W363N167-L359 VanDerWaalsContact ND2-CD1 3.26Å; N167-L359 WeakPolarHBondContact ND2-CD1 3.46Å; K355-L359 VanDerWaalsContact O-CB 3.3Å; K355-L359 WeakPolarHBondContact O-CB 3.28Å; K355-L359 PolarHBondContact O-N 2.77Å; I356-L359 PolarHBondContact O-N 3.01Å; R357-L359 VanDerWaalsContact C-N 3.34Å; R357-L359 PolarHBondContact O-N 3.36Å; L359-S361 PolarHBondContact O-N 3.34Å; L359-T362 PolarHBondContact O-N 3.44Å; L359-W363 HydrophobicContact CD1-CE3 4.41Å; L359-W363 HydrophobicContact CD1-CH2 3.48Å; L359-W363 VanDerWaalsContact CD1-CH2 3.48Å; L359-W363 HydrophobicContact CD1-CZ2 3.66Å; L359-W363 HydrophobicContact CD1-CZ3 3.92Å; L359-W363 HydrophobicContact CD2-CD2 3.6Å; L359-W363 HydrophobicContact CD2-CE3 3.26Å; L359-W363 HydrophobicContact CD2-CG 4.27Å; L359-W363 HydrophobicContact CD2-CH2 3.89Å; L359-W363 HydrophobicContact CD2-CZ2 4.21Å; L359-W363 HydrophobicContact CD2-CZ3 3.44Å; L359-W363 VanDerWaalsContact CD2-CZ3 3.44Å; L359-W363 HydrophobicContact CG-CD2 3.74Å; L359-W363 HydrophobicContact CG-CE3 3.84Å; L359-W363 HydrophobicContact CG-CG 4.39Å; L359-W363 HydrophobicContact CG-CH2 3.75Å; L359-W363 HydrophobicContact CG-CZ2 3.69Å; L359-W363 HydrophobicContact CG-CZ3 3.86Å; L359-W363 VanDerWaalsContact O-CB 3.22Å; L359-W363 WeakPolarHBondContact O-CB 3.43Å; L359-W363 VanDerWaalsContact O-CG 3.26Å; L359-W363 PolarHBondContact O-N 3.38Å
360T86.9Confident88.4Confident0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-66-34.4178.151.10000112.7F61 I356 R357 F364 G365 T371F61-T360 HydrophobicContact CD2-CG2 4.11Å; F61-T360 HydrophobicContact CE2-CG2 3.59Å; F61-T360 HydrophobicContact CZ-CG2 3.91Å; I356-T360 HydrophobicContact CG2-CG2 4.03Å; I356-T360 WeakPolarHBondContact O-CB 3.2Å; I356-T360 VanDerWaalsContact O-CG2 3.3Å; I356-T360 WeakPolarHBondContact O-CG2 3.3Å; I356-T360 PolarHBondContact O-N 3.04Å; I356-T360 PolarHBondContact O-OG1 2.77Å; R357-T360 WeakPolarHBondContact CA-OG1 3.47Å; R357-T360 PolarHBondContact O-OG1 2.81Å; T360-F364 HydrophobicContact CG2-CD2 3.75Å; T360-F364 HydrophobicContact CG2-CE2 3.59Å; T360-F364 WeakPolarHBondContact O-CA 3.26Å; T360-F364 VanDerWaalsContact O-CB 3.28Å; T360-F364 WeakPolarHBondContact O-CB 3.32Å; T360-F364 PolarHBondContact O-N 3.4Å; T360-G365 PolarHBondContact O-N 2.76Å; T360-T371 WeakPolarHBondContact CB-OG1 3.41Å; T360-T371 HydrophobicContact CG2-CG2 3.96Å; T360-T371 VanDerWaalsContact OG1-CG2 3.3Å; T360-T371 WeakPolarHBondContact OG1-CG2 3.36Å; T360-T371 PolarHBondContact OG1-OG1 3.28Å
361S88.4Confident88.6Confident65 Ų6553.1 Ų53.146%0.45529%0.288SS..Hα-helixtrans-64.8-47.2171.1-175.60000111.3R357 L359 W363 G365R357-S361 WeakPolarHBondContact O-CB 3.35Å; R357-S361 PolarHBondContact O-N 3.31Å; L359-S361 PolarHBondContact O-N 3.34Å; S361-W363 VanDerWaalsContact C-N 3.34Å; S361-W363 PolarHBondContact O-N 2.95Å; S361-G365 WeakPolarHBondContact O-CA 3.29Å; S361-G365 PolarHBondContact O-N 3.44Å
362T85.5Confident89Confident98 Ų9854.1 Ų54.160%0.60129%0.293SS*.Hα-helixtrans-65.6-38178.8-53.80000112.1R54 N358 L359R54-T362 PolarHBondContact NH1-O 2.94Å; N358-T362 WeakPolarHBondContact O-CB 3.49Å; N358-T362 PolarHBondContact O-N 3.49Å; N358-T362 PolarHBondContact O-OG1 2.9Å; L359-T362 PolarHBondContact O-N 3.44Å
363W81.5Confident89.2Confident26 Ų2660.4 Ų60.410%0.09831%0.313CS..Hα-helixtrans-91.5-38.8-172.2-68.56.3000113R54 L57 R157 M161 L359 S361R54-W363 WeakPolarHBondContact CD-O 3.5Å; R54-W363 VanDerWaalsContact NH1-C 3.3Å; R54-W363 VanDerWaalsContact NH1-CA 3.25Å; R54-W363 PolarHBondContact NH1-O 3.16Å; L57-W363 HydrophobicContact CD1-CB 4.41Å; L57-W363 HydrophobicContact CD1-CD2 4.35Å; L57-W363 HydrophobicContact CD1-CE3 4.23Å; L57-W363 HydrophobicContact CD1-CG 4.42Å; R157-W363 HydrophobicContact CB-CH2 4.08Å; R157-W363 HydrophobicContact CB-CZ2 4.1Å; R157-W363 HydrophobicContact CG-CZ2 4.31Å; R157-W363 WeakPolarHBondContact O-CH2 3.02Å; M161-W363 HydrophobicContact CB-CH2 3.77Å; M161-W363 HydrophobicContact CB-CZ3 3.82Å; M161-W363 HydrophobicContact CG-CH2 4.42Å; M161-W363 HydrophobicContact CG-CZ3 4.06Å; M161-W363 HydrophobicContact SD-CZ3 3.74Å; L359-W363 HydrophobicContact CD1-CE3 4.41Å; L359-W363 HydrophobicContact CD1-CH2 3.48Å; L359-W363 VanDerWaalsContact CD1-CH2 3.48Å; L359-W363 HydrophobicContact CD1-CZ2 3.66Å; L359-W363 HydrophobicContact CD1-CZ3 3.92Å; L359-W363 HydrophobicContact CD2-CD2 3.6Å; L359-W363 HydrophobicContact CD2-CE3 3.26Å; L359-W363 HydrophobicContact CD2-CG 4.27Å; L359-W363 HydrophobicContact CD2-CH2 3.89Å; L359-W363 HydrophobicContact CD2-CZ2 4.21Å; L359-W363 HydrophobicContact CD2-CZ3 3.44Å; L359-W363 VanDerWaalsContact CD2-CZ3 3.44Å; L359-W363 HydrophobicContact CG-CD2 3.74Å; L359-W363 HydrophobicContact CG-CE3 3.84Å; L359-W363 HydrophobicContact CG-CG 4.39Å; L359-W363 HydrophobicContact CG-CH2 3.75Å; L359-W363 HydrophobicContact CG-CZ2 3.69Å; L359-W363 HydrophobicContact CG-CZ3 3.86Å; L359-W363 VanDerWaalsContact O-CB 3.22Å; L359-W363 WeakPolarHBondContact O-CB 3.43Å; L359-W363 VanDerWaalsContact O-CG 3.26Å; L359-W363 PolarHBondContact O-N 3.38Å; S361-W363 VanDerWaalsContact C-N 3.34Å; S361-W363 PolarHBondContact O-N 2.95Å
364F81.7Confident89.2Confident26 Ų2662.4 Ų62.411%0.11432%0.32CS..Hα-helixtrans-110.9-10.6-175.1-47.1-41000112.9L57 Q58 F61 T360 W366L57-F364 HydrophobicContact CB-CE1 3.56Å; L57-F364 HydrophobicContact CB-CZ 4.31Å; Q58-F364 HydrophobicContact CB-CE1 4.28Å; Q58-F364 HydrophobicContact CG-CD1 3.48Å; Q58-F364 VanDerWaalsContact CG-CD1 3.48Å; Q58-F364 HydrophobicContact CG-CD2 4.4Å; Q58-F364 HydrophobicContact CG-CE1 3.64Å; Q58-F364 HydrophobicContact CG-CG 3.91Å; Q58-F364 HydrophobicContact CG-CZ 4.18Å; F61-F364 HydrophobicContact CB-CE2 4.01Å; F61-F364 HydrophobicContact CB-CZ 3.78Å; F61-F364 HydrophobicContact CD1-CE2 4.18Å; F61-F364 HydrophobicContact CD2-CE2 4.13Å; F61-F364 AromaticContact CG-CE2 3.86Å; F61-F364 HydrophobicContact CG-CE2 3.86Å; F61-F364 HydrophobicContact CG-CZ 4.14Å; T360-F364 HydrophobicContact CG2-CD2 3.75Å; T360-F364 HydrophobicContact CG2-CE2 3.59Å; T360-F364 WeakPolarHBondContact O-CA 3.26Å; T360-F364 VanDerWaalsContact O-CB 3.28Å; T360-F364 WeakPolarHBondContact O-CB 3.32Å; T360-F364 PolarHBondContact O-N 3.4Å; F364-W366 HydrophobicContact CB-CB 4.29Å; F364-W366 HydrophobicContact CB-CD2 3.83Å; F364-W366 HydrophobicContact CB-CG 3.56Å; F364-W366 AromaticContact CD2-CD2 3.79Å; F364-W366 HydrophobicContact CD2-CD2 3.79Å; F364-W366 AromaticContact CD2-CE3 3.88Å; F364-W366 HydrophobicContact CD2-CE3 3.88Å; F364-W366 HydrophobicContact CD2-CG 4.3Å; F364-W366 HydrophobicContact CD2-CH2 4.39Å; F364-W366 HydrophobicContact CD2-CZ2 4.3Å; F364-W366 HydrophobicContact CD2-CZ3 4.18Å; F364-W366 HydrophobicContact CG-CD2 4.23Å; F364-W366 HydrophobicContact CG-CG 4.42Å; F364-W366 PolarHBondContact O-N 2.81Å
365G84.3Confident89.3Confident63 Ų6357.8 Ų57.865%0.64930%0.296SS*.  trans69.514.2-169.100000112.9T360 S361T360-G365 PolarHBondContact O-N 2.76Å; S361-G365 WeakPolarHBondContact O-CA 3.29Å; S361-G365 PolarHBondContact O-N 3.44Å
366W88.3Confident89.5Confident15 Ų1557.1 Ų57.16%0.05730%0.296CS..  trans-70.7145.1-176.5-72.64.1000111.8Q58 F61 H62 F364 Q370 H374Q58-W366 HydrophobicContact CG-CZ2 4.2Å; F61-W366 HydrophobicContact CD1-CH2 4.4Å; F61-W366 HydrophobicContact CD1-CZ3 4.27Å; F61-W366 HydrophobicContact CE1-CH2 4.29Å; F61-W366 AromaticContact CE1-CZ3 3.78Å; F61-W366 HydrophobicContact CE1-CZ3 3.78Å; F61-W366 HydrophobicContact CZ-CZ3 4.49Å; H62-W366 AromaticContact CE1-CH2 3.79Å; F364-W366 HydrophobicContact CB-CB 4.29Å; F364-W366 HydrophobicContact CB-CD2 3.83Å; F364-W366 HydrophobicContact CB-CG 3.56Å; F364-W366 AromaticContact CD2-CD2 3.79Å; F364-W366 HydrophobicContact CD2-CD2 3.79Å; F364-W366 AromaticContact CD2-CE3 3.88Å; F364-W366 HydrophobicContact CD2-CE3 3.88Å; F364-W366 HydrophobicContact CD2-CG 4.3Å; F364-W366 HydrophobicContact CD2-CH2 4.39Å; F364-W366 HydrophobicContact CD2-CZ2 4.3Å; F364-W366 HydrophobicContact CD2-CZ3 4.18Å; F364-W366 HydrophobicContact CG-CD2 4.23Å; F364-W366 HydrophobicContact CG-CG 4.42Å; F364-W366 PolarHBondContact O-N 2.81Å; W366-Q370 HydrophobicContact CB-CB 4.24Å; W366-Q370 HydrophobicContact CB-CG 4.23Å; W366-Q370 VanDerWaalsContact CD1-CD 3.49Å; W366-Q370 VanDerWaalsContact CD1-NE2 3.35Å; W366-Q370 HydrophobicContact CD2-CG 3.88Å; W366-Q370 HydrophobicContact CE3-CG 4.11Å; W366-Q370 HydrophobicContact CG-CB 4.49Å; W366-Q370 VanDerWaalsContact CG-CD 3.49Å; W366-Q370 HydrophobicContact CG-CG 3.94Å; W366-Q370 VanDerWaalsContact NE1-NE2 3.15Å; W366-H374 AromaticContact CH2-CD2 3.98Å; W366-H374 AromaticContact CZ3-CD2 3.76Å
367S91.6Very high89.6Confident52 Ų5260.5 Ų60.536%0.36432%0.318SS..  trans-72.8162167.888.10000110.6E369 Q370 T371S367-E369 WeakPolarHBondContact CB-OE2 3.36Å; S367-E369 PolarHBondContact O-N 3.32Å; S367-E369 PolarHBondContact OG-N 2.77Å; S367-E369 PolarHBondContact OG-OE2 3.47Å; S367-Q370 PolarHBondContact O-N 3.38Å; S367-Q370 VanDerWaalsContact O-N 3.16Å; S367-Q370 PolarHBondContact OG-N 3.47Å; S367-T371 PolarHBondContact O-N 2.78Å; S367-T371 PolarHBondContact O-OG1 3.37Å
368K92.7Very high89.7Confident132 Ų13258.4 Ų58.457%0.57431%0.311SS*.Hα-helixtrans-57.7-40175.8-68.4-178-179.7179.70111.1Q370 T371 D372K368-Q370 VanDerWaalsContact C-N 3.34Å; K368-Q370 PolarHBondContact O-N 2.93Å; K368-T371 PolarHBondContact O-N 3.39Å; K368-D372 VanDerWaalsContact O-CB 3.27Å; K368-D372 WeakPolarHBondContact O-CB 3.37Å; K368-D372 PolarHBondContact O-N 3.34Å
369E93.6Very high89.7Confident116 Ų11654.8 Ų54.854%0.54229%0.292SS..Hα-helixtrans-63.9-40.5179.2-55.769-145.100111.3S367 D372 R373S367-E369 WeakPolarHBondContact CB-OE2 3.36Å; S367-E369 PolarHBondContact O-N 3.32Å; S367-E369 PolarHBondContact OG-N 2.77Å; S367-E369 PolarHBondContact OG-OE2 3.47Å; E369-D372 PolarHBondContact O-N 3.27Å; E369-R373 WeakPolarHBondContact O-CG 3.45Å; E369-R373 PolarHBondContact O-N 3Å; E369-R373 VanDerWaalsContact O-N 3.17Å
370Q91.5Very high90Very high68 Ų6862.2 Ų62.232%0.31832%0.324SS..Hα-helixtrans-65.8-47.2177.2-177.1172.2-000111.2W366 S367 K368 D372 R373 H374W366-Q370 HydrophobicContact CB-CB 4.24Å; W366-Q370 HydrophobicContact CB-CG 4.23Å; W366-Q370 VanDerWaalsContact CD1-CD 3.49Å; W366-Q370 VanDerWaalsContact CD1-NE2 3.35Å; W366-Q370 HydrophobicContact CD2-CG 3.88Å; W366-Q370 HydrophobicContact CE3-CG 4.11Å; W366-Q370 HydrophobicContact CG-CB 4.49Å; W366-Q370 VanDerWaalsContact CG-CD 3.49Å; W366-Q370 HydrophobicContact CG-CG 3.94Å; W366-Q370 VanDerWaalsContact NE1-NE2 3.15Å; S367-Q370 PolarHBondContact O-N 3.38Å; S367-Q370 VanDerWaalsContact O-N 3.16Å; S367-Q370 PolarHBondContact OG-N 3.47Å; K368-Q370 VanDerWaalsContact C-N 3.34Å; K368-Q370 PolarHBondContact O-N 2.93Å; Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 PolarHBondContact O-N 2.89Å; Q370-R373 PolarHBondContact O-N 3.37Å; Q370-H374 PolarHBondContact O-CD2 3.17Å; Q370-H374 VanDerWaalsContact O-CD2 3.29Å
371T91.5Very high90.1Very high0 Ų066.5 Ų66.50%034%0.34CS..Hα-helixtrans-60-42.7176-60.90000111.6I356 R357 T360 S367 K368 R373 H374 L375I356-T371 HydrophobicContact CG2-CG2 4.32Å; R357-T371 HydrophobicContact CG-CG2 4.21Å; T360-T371 WeakPolarHBondContact CB-OG1 3.41Å; T360-T371 HydrophobicContact CG2-CG2 3.96Å; T360-T371 VanDerWaalsContact OG1-CG2 3.3Å; T360-T371 WeakPolarHBondContact OG1-CG2 3.36Å; T360-T371 PolarHBondContact OG1-OG1 3.28Å; S367-T371 PolarHBondContact O-N 2.78Å; S367-T371 PolarHBondContact O-OG1 3.37Å; K368-T371 PolarHBondContact O-N 3.39Å; T371-R373 VanDerWaalsContact C-N 3.34Å; T371-R373 PolarHBondContact O-N 3.46Å; T371-H374 PolarHBondContact O-N 3.09Å; T371-H374 VanDerWaalsContact O-N 3.14Å; T371-L375 HydrophobicContact CG2-CB 4.37Å; T371-L375 HydrophobicContact CG2-CD2 4.24Å; T371-L375 VanDerWaalsContact O-CB 3.29Å; T371-L375 WeakPolarHBondContact O-CB 3.43Å; T371-L375 PolarHBondContact O-N 2.85Å
372D94Very high90Very high30 Ų3063.8 Ų63.816%0.1632%0.322CS..Hα-helixtrans-64.4-34.9-177.4-79-2.6000113.3R357 K368 E369 Q370 H374 L375 L376R357-D372 IonicContact CZ-OD1 2.8Å; R357-D372 VanDerWaalsContact CZ-OD1 3.32Å; R357-D372 IonicContact CZ-OD2 3.97Å; R357-D372 IonicContact NE-OD1 3.72Å; R357-D372 PolarHBondContact NE-OD1 2.78Å; R357-D372 IonicContact NE-OD2 3.3Å; R357-D372 IonicContact NH2-OD1 2.88Å; R357-D372 PolarHBondContact NH2-OD1 2.88Å; R357-D372 IonicContact NH2-OD2 3.32Å; R357-D372 PolarHBondContact NH2-OD2 3.44Å; K368-D372 VanDerWaalsContact O-CB 3.27Å; K368-D372 WeakPolarHBondContact O-CB 3.37Å; K368-D372 PolarHBondContact O-N 3.34Å; E369-D372 PolarHBondContact O-N 3.27Å; Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 PolarHBondContact O-N 2.89Å; D372-H374 PolarHBondContact O-N 3.47Å; D372-L375 PolarHBondContact O-N 2.57Å; D372-L376 HydrophobicContact CB-CD1 3.72Å; D372-L376 HydrophobicContact CB-CG 3.91Å; D372-L376 WeakPolarHBondContact O-CB 3.41Å; D372-L376 WeakPolarHBondContact O-CG 3.35Å; D372-L376 PolarHBondContact O-N 2.89Å
373R94Very high90.1Very high186 Ų18661 Ų6170%0.70231%0.309SS*.Hα-helixtrans-55.9-36.1174.3-73.6169.5-165.9168.54.5112.3E369 Q370 T371E369-R373 WeakPolarHBondContact O-CG 3.45Å; E369-R373 PolarHBondContact O-N 3Å; E369-R373 VanDerWaalsContact O-N 3.17Å; Q370-R373 PolarHBondContact O-N 3.37Å; T371-R373 VanDerWaalsContact C-N 3.34Å; T371-R373 PolarHBondContact O-N 3.46Å
374H91.9Very high90.4Very high73 Ų7362 Ų6234%0.33832%0.323SS..Hα-helixtrans-90.4-40.4179.5-63.1-74.3000112.4F61 H62 L65 W366 Q370 T371 D372 V378F61-H374 HydrophobicContact CE1-CB 4.37Å; H62-H374 AromaticContact NE2-CE1 3.92Å; H62-H374 AromaticContact NE2-ND1 3.87Å; L65-H374 HydrophobicContact CD1-CB 3.81Å; W366-H374 AromaticContact CH2-CD2 3.98Å; W366-H374 AromaticContact CZ3-CD2 3.76Å; Q370-H374 PolarHBondContact O-CD2 3.17Å; Q370-H374 VanDerWaalsContact O-CD2 3.29Å; T371-H374 PolarHBondContact O-N 3.09Å; T371-H374 VanDerWaalsContact O-N 3.14Å; D372-H374 PolarHBondContact O-N 3.47Å; H374-V378 WeakPolarHBondContact O-CG2 3.2Å
375L92Very high90.6Very high0 Ų062.1 Ų62.10%032%0.324CS..Hα-helixtrans-82.2-45-169.7-17762.7000113.4L65 V353 I356 T371 D372 V378 V379L65-L375 HydrophobicContact CD2-CD1 3.83Å; V353-L375 HydrophobicContact CB-CD2 4.42Å; V353-L375 HydrophobicContact CG1-CD2 3.99Å; I356-L375 HydrophobicContact CB-CD2 3.91Å; I356-L375 HydrophobicContact CD1-CD1 3.94Å; I356-L375 HydrophobicContact CD1-CD2 4.29Å; I356-L375 HydrophobicContact CG2-CD1 4.31Å; I356-L375 HydrophobicContact CG2-CD2 3.68Å; T371-L375 HydrophobicContact CG2-CB 4.37Å; T371-L375 HydrophobicContact CG2-CD2 4.24Å; T371-L375 VanDerWaalsContact O-CB 3.29Å; T371-L375 WeakPolarHBondContact O-CB 3.43Å; T371-L375 PolarHBondContact O-N 2.85Å; D372-L375 PolarHBondContact O-N 2.57Å; L375-V378 WeakPolarHBondContact O-CB 3.48Å; L375-V378 PolarHBondContact O-N 3.48Å; L375-V378 VanDerWaalsContact O-N 3.1Å; L375-V379 HydrophobicContact CD1-CG2 3.74Å; L375-V379 HydrophobicContact CG-CG2 3.89Å; L375-V379 WeakPolarHBondContact O-CG2 3.3Å; L375-V379 PolarHBondContact O-N 3.42Å
376L92.3Very high90.3Very high78 Ų7863.5 Ų63.541%0.40831%0.314SS..Hα-helixtrans-61.8-41.4-172.3-64.5180000113.7V353 D372 V378 V379 K380V353-L376 HydrophobicContact CG1-CD2 4.45Å; D372-L376 HydrophobicContact CB-CD1 3.72Å; D372-L376 HydrophobicContact CB-CG 3.91Å; D372-L376 WeakPolarHBondContact O-CB 3.41Å; D372-L376 WeakPolarHBondContact O-CG 3.35Å; D372-L376 PolarHBondContact O-N 2.89Å; L376-V378 PolarHBondContact O-N 3.14Å; L376-V379 PolarHBondContact O-N 3.39Å; L376-K380 VanDerWaalsContact O-CB 3.3Å; L376-K380 WeakPolarHBondContact O-CB 3.35Å; L376-K380 PolarHBondContact O-N 2.88Å
377P93Very high89.9Confident70 Ų7067 Ų6746%0.45534%0.34SS..Hα-helixtrans-59.2-38.1175.1-24.635.3000112.6R381P377-R381 WeakPolarHBondContact O-CB 3.36Å; P377-R381 PolarHBondContact O-N 3.36Å
378V92.3Very high89.1Confident10 Ų1070 Ų706%0.06135%0.347CS..Hα-helixtrans-72.7-44.8-178.9179.30000111.1L65 L68 F69 H374 L375 L376 R381 A382L65-V378 HydrophobicContact CB-CG2 4.18Å; L65-V378 HydrophobicContact CD2-CB 4.11Å; L65-V378 HydrophobicContact CD2-CG1 4.06Å; L65-V378 HydrophobicContact CD2-CG2 4.08Å; L68-V378 HydrophobicContact CB-CG1 3.44Å; L68-V378 VanDerWaalsContact CB-CG1 3.44Å; L68-V378 HydrophobicContact CD1-CG1 4.39Å; F69-V378 HydrophobicContact CB-CG1 4.38Å; F69-V378 HydrophobicContact CB-CG2 4.2Å; F69-V378 HydrophobicContact CD2-CG2 4.28Å; H374-V378 WeakPolarHBondContact O-CG2 3.2Å; L375-V378 WeakPolarHBondContact O-CB 3.48Å; L375-V378 PolarHBondContact O-N 3.48Å; L375-V378 VanDerWaalsContact O-N 3.1Å; L376-V378 PolarHBondContact O-N 3.14Å; V378-R381 PolarHBondContact O-N 3.4Å; V378-A382 WeakPolarHBondContact O-CB 3.37Å; V378-A382 PolarHBondContact O-N 2.96Å
379V90.7Very high87.5Confident27 Ų2775.4 Ų75.416%0.16436%0.364CS..Hα-helixtrans-64.6-43.3177.6174.40000110.9P351 V353 L375 L376 R381 A382 A383P351-V379 HydrophobicContact CB-CG2 4.21Å; P351-V379 HydrophobicContact CG-CG2 4.37Å; V353-V379 HydrophobicContact CG2-CG1 4.2Å; V353-V379 HydrophobicContact CG2-CG2 4.19Å; L375-V379 HydrophobicContact CD1-CG2 3.74Å; L375-V379 HydrophobicContact CG-CG2 3.89Å; L375-V379 WeakPolarHBondContact O-CG2 3.3Å; L375-V379 PolarHBondContact O-N 3.42Å; L376-V379 PolarHBondContact O-N 3.39Å; V379-R381 VanDerWaalsContact C-N 3.3Å; V379-R381 PolarHBondContact O-N 2.78Å; V379-A382 PolarHBondContact O-N 3.5Å; V379-A383 WeakPolarHBondContact O-CB 3.38Å; V379-A383 PolarHBondContact O-N 2.99Å
380K91.6Very high86.2Confident171 Ų17177.4 Ų77.474%0.74337%0.373SS*.Hα-helixtrans-58.9-43.1174.4-175.8177.5-179.71780111.4L376 A384L376-K380 VanDerWaalsContact O-CB 3.3Å; L376-K380 WeakPolarHBondContact O-CB 3.35Å; L376-K380 PolarHBondContact O-N 2.88Å; K380-A384 WeakPolarHBondContact O-CB 3.39Å; K380-A384 PolarHBondContact O-N 3.24Å; K380-A384 VanDerWaalsContact O-N 3.08Å
381R90.3Very high85Confident90 Ų9079.3 Ų79.334%0.3438%0.38SS..Hα-helixtrans-64.7-50175.5-178.860.9179.8-166.64.5111.3E23 F69 P377 V378 V379 A383 A384 L385E23-R381 IonicContact OE2-CZ 3.53Å; E23-R381 IonicContact OE2-NH2 3.16Å; E23-R381 PolarHBondContact OE2-NH2 3.03Å; F69-R381 HydrophobicContact CD2-CB 4.47Å; F69-R381 HydrophobicContact CD2-CG 4.43Å; F69-R381 VanDerWaalsContact O-CG 3.26Å; F69-R381 WeakPolarHBondContact O-CG 3.43Å; P377-R381 WeakPolarHBondContact O-CB 3.36Å; P377-R381 PolarHBondContact O-N 3.36Å; V378-R381 PolarHBondContact O-N 3.4Å; V379-R381 VanDerWaalsContact C-N 3.3Å; V379-R381 PolarHBondContact O-N 2.78Å; R381-A383 VanDerWaalsContact C-N 3.35Å; R381-A383 PolarHBondContact O-N 3.4Å; R381-A384 WeakPolarHBondContact O-CB 3.29Å; R381-A384 PolarHBondContact O-N 2.93Å; R381-L385 HydrophobicContact CG-CD1 4.21Å; R381-L385 HydrophobicContact CG-CG 4.47Å; R381-L385 VanDerWaalsContact O-CG 3.29Å; R381-L385 WeakPolarHBondContact O-CG 3.47Å; R381-L385 PolarHBondContact O-N 3.1Å
382A86.8Confident83.9Confident8 Ų887.8 Ų87.87%0.06641%0.412CS..Hα-helixtrans-59.8-42.9-179.800000112.2L350 V378 V379 L385 Q386L350-A382 HydrophobicContact CD2-CB 4.28Å; V378-A382 WeakPolarHBondContact O-CB 3.37Å; V378-A382 PolarHBondContact O-N 2.96Å; V379-A382 PolarHBondContact O-N 3.5Å; A382-L385 PolarHBondContact O-N 2.82Å; A382-Q386 WeakPolarHBondContact O-CG 3.49Å; A382-Q386 PolarHBondContact O-N 2.85Å
383A87.1Confident82.9Confident41 Ų4192.2 Ų92.234%0.33944%0.435SS..Hα-helixtrans-62.5-44.1174.800000111.8L350 V379 R381 L385 Q386 S387L350-A383 HydrophobicContact CD2-CB 4.45Å; V379-A383 WeakPolarHBondContact O-CB 3.38Å; V379-A383 PolarHBondContact O-N 2.99Å; R381-A383 VanDerWaalsContact C-N 3.35Å; R381-A383 PolarHBondContact O-N 3.4Å; A383-L385 VanDerWaalsContact C-N 3.3Å; A383-L385 PolarHBondContact O-N 3.42Å; A383-Q386 PolarHBondContact O-N 3.26Å; A383-S387 PolarHBondContact O-N 2.79Å; A383-S387 PolarHBondContact O-OG 2.91Å
384A88.2Confident81.4Confident46 Ų4688 Ų8838%0.3843%0.426SS..Hα-helixtrans-62.5-37175.900000112.4K380 R381 S387 K388K380-A384 WeakPolarHBondContact O-CB 3.39Å; K380-A384 PolarHBondContact O-N 3.24Å; K380-A384 VanDerWaalsContact O-N 3.08Å; R381-A384 WeakPolarHBondContact O-CB 3.29Å; R381-A384 PolarHBondContact O-N 2.93Å; A384-S387 WeakPolarHBondContact CA-OG 3.19Å; A384-S387 PolarHBondContact O-OG 3.44Å; A384-K388 WeakPolarHBondContact O-CG 3.45Å; A384-K388 PolarHBondContact O-N 2.93Å
385L84.5Confident79.9Confident28 Ų2888.9 Ų88.915%0.14743%0.433CS..Hα-helixtrans-69.2-38.6176-68.2179.8000112.4E23 G71 R381 A382 A383 K388E23-L385 HydrophobicContact CG-CD1 4.46Å; E23-L385 HydrophobicContact CG-CD2 3.97Å; E23-L385 WeakPolarHBondContact OE1-CD2 3.43Å; G71-L385 VanDerWaalsContact CA-CD1 3.43Å; R381-L385 HydrophobicContact CG-CD1 4.21Å; R381-L385 HydrophobicContact CG-CG 4.47Å; R381-L385 VanDerWaalsContact O-CG 3.29Å; R381-L385 WeakPolarHBondContact O-CG 3.47Å; R381-L385 PolarHBondContact O-N 3.1Å; A382-L385 PolarHBondContact O-N 2.82Å; A383-L385 VanDerWaalsContact C-N 3.3Å; A383-L385 PolarHBondContact O-N 3.42Å; L385-K388 HydrophobicContact CD2-CD 4.4Å; L385-K388 PolarHBondContact O-N 3.33Å
386Q77.9Confident78.1Confident92 Ų9295.4 Ų95.443%0.4346%0.462SS..Hα-helixtrans-70.7-32.5175.5-72.2-174.32.100112.8L350 A382 A383 K388L350-Q386 VanDerWaalsContact CD2-CD 3.42Å; L350-Q386 HydrophobicContact CD2-CG 4.4Å; L350-Q386 VanDerWaalsContact CD2-OE1 3.25Å; A382-Q386 WeakPolarHBondContact O-CG 3.49Å; A382-Q386 PolarHBondContact O-N 2.85Å; A383-Q386 PolarHBondContact O-N 3.26Å; Q386-K388 VanDerWaalsContact C-N 3.28Å; Q386-K388 PolarHBondContact O-N 3.28Å
387S79.9Confident75.7Confident88 Ų8895 Ų9562%0.61547%0.465SS*.Hα-helixtrans-70.8-22.7176.362.30000113.5A383 A384 R389A383-S387 PolarHBondContact O-N 2.79Å; A383-S387 PolarHBondContact O-OG 2.91Å; A384-S387 WeakPolarHBondContact CA-OG 3.19Å; A384-S387 PolarHBondContact O-OG 3.44Å; S387-R389 VanDerWaalsContact C-N 3.31Å; S387-R389 PolarHBondContact O-N 3.05Å
388K75.6Confident73.5Confident116 Ų11697.3 Ų97.350%0.50448%0.478SS..  trans-69.787.4171.7-71.6177.5-174.5-178.90109.3E23 A384 L385 Q386 Q390E23-K388 IonicContact OE1-NZ 3.61Å; E23-K388 PolarHBondContact OE1-NZ 3.08Å; A384-K388 WeakPolarHBondContact O-CG 3.45Å; A384-K388 PolarHBondContact O-N 2.93Å; L385-K388 HydrophobicContact CD2-CD 4.4Å; L385-K388 PolarHBondContact O-N 3.33Å; Q386-K388 VanDerWaalsContact C-N 3.28Å; Q386-K388 PolarHBondContact O-N 3.28Å; K388-Q390 VanDerWaalsContact C-N 3.35Å
389R58Low70.8Confident245 Ų245101.7 Ų101.793%0.92551%0.505SS*.  trans-70.4-28.3178.7-78.3-175.1173.7-174.7-1.4113.8S387S387-R389 VanDerWaalsContact C-N 3.31Å; S387-R389 PolarHBondContact O-N 3.05Å
390Q67Low68.2Low159 Ų159106.3 Ų106.374%0.74353%0.533SS*.SBendtrans-111119.6-175.5-172.562.529.800110.3K388K388-Q390 VanDerWaalsContact C-N 3.35Å
391K66.6Low65.4Low108 Ų108100.6 Ų100.647%0.4752%0.518SS..  trans-66134.5165.7-71.9-171.9177.4-169.80109.1D395 F396K391-D395 WeakPolarHBondContact CA-OD2 3.1Å; K391-D395 HydrophobicContact CB-CB 4.21Å; K391-F396 HydrophobicContact CB-CD2 4.21Å; K391-F396 HydrophobicContact CB-CE2 3.36Å; K391-F396 HydrophobicContact CB-CZ 3.61Å; K391-F396 HydrophobicContact CD-CE1 3.97Å; K391-F396 HydrophobicContact CD-CE2 4.21Å; K391-F396 HydrophobicContact CD-CZ 3.7Å; K391-F396 HydrophobicContact CG-CE2 4.41Å; K391-F396 HydrophobicContact CG-CZ 4.24Å
392R68.7Low62.5Low177 Ų177101.9 Ų101.967%0.66854%0.537SS*.  trans-74.9157169.8-68.8-173.5171.2-167.4-3109.3D394 D395 F396R392-D394 HydrophobicContact CB-CB 4.38Å; R392-D394 PolarHBondContact O-N 2.95Å; R392-D395 PolarHBondContact N-OD2 2.92Å; R392-D395 VanDerWaalsContact O-CB 3.31Å; R392-D395 WeakPolarHBondContact O-CB 3.32Å; R392-D395 PolarHBondContact O-N 3.28Å; R392-F396 VanDerWaalsContact O-CD2 3.22Å; R392-F396 WeakPolarHBondContact O-CD2 3.22Å
393I72Confident59.9Low123 Ų123106.9 Ų106.963%0.63157%0.567SS**Hα-helixtrans-55.8-34.5172.7-165.3166.1000111.1D395 F396 C397I393-D395 PolarHBondContact O-N 3.41Å; I393-D395 VanDerWaalsContact O-N 3.16Å; I393-F396 PolarHBondContact O-N 3.17Å; I393-C397 WeakPolarHBondContact O-CB 3.36Å; I393-C397 PolarHBondContact O-N 3.11Å
394D63.6Low57.4Low98 Ų98109.2 Ų109.252%0.52457%0.574SS.*Hα-helixtrans-60.5-20.1174.3-51.7-41.8000113.9R392 C397R392-D394 HydrophobicContact CB-CB 4.38Å; R392-D394 PolarHBondContact O-N 2.95Å; D394-C397 CarbonylContact C-O 3.58Å
395D59.7Low54.7Low91 Ų91111.8 Ų111.849%0.48759%0.587SS.*Hα-helixtrans-85.4-21.9175.4-55.2-32000111.6K391 R392 I393K391-D395 WeakPolarHBondContact CA-OD2 3.1Å; K391-D395 HydrophobicContact CB-CB 4.21Å; R392-D395 PolarHBondContact N-OD2 2.92Å; R392-D395 VanDerWaalsContact O-CB 3.31Å; R392-D395 WeakPolarHBondContact O-CB 3.32Å; R392-D395 PolarHBondContact O-N 3.28Å; I393-D395 PolarHBondContact O-N 3.41Å; I393-D395 VanDerWaalsContact O-N 3.16Å
396F55.4Low52.2Low137 Ų137114 Ų11460%0.60160%0.604SS**Hα-helixtrans-93.1-41.2177.3-65.6-81.8000111.8K391 R392 I393 T398K391-F396 HydrophobicContact CB-CD2 4.21Å; K391-F396 HydrophobicContact CB-CE2 3.36Å; K391-F396 HydrophobicContact CB-CZ 3.61Å; K391-F396 HydrophobicContact CD-CE1 3.97Å; K391-F396 HydrophobicContact CD-CE2 4.21Å; K391-F396 HydrophobicContact CD-CZ 3.7Å; K391-F396 HydrophobicContact CG-CE2 4.41Å; K391-F396 HydrophobicContact CG-CZ 4.24Å; R392-F396 VanDerWaalsContact O-CD2 3.22Å; R392-F396 WeakPolarHBondContact O-CD2 3.22Å; I393-F396 PolarHBondContact O-N 3.17Å; F396-T398 PolarHBondContact O-N 2.84Å; F396-T398 VanDerWaalsContact O-N 3.12Å
397C41.8Very low50.3Low70 Ų70115.8 Ų115.847%0.47362%0.616SS.*SBendtrans-70.5105.6165.9-64.30000105.3I393 D394 T399I393-C397 WeakPolarHBondContact O-CB 3.36Å; I393-C397 PolarHBondContact O-N 3.11Å; D394-C397 CarbonylContact C-O 3.58Å; C397-T399 PolarHBondContact O-N 3.17Å
398T46.3Very low48.5Very low119 Ų119115.7 Ų115.773%0.7361%0.606SS**  trans-54102.2155.5-38.40000103.3F396 V400F396-T398 PolarHBondContact O-N 2.84Å; F396-T398 VanDerWaalsContact O-N 3.12Å; T398-V400 VanDerWaalsContact C-N 3.27Å; T398-V400 PolarHBondContact O-N 3.44Å
399T35Very low46.9Very low102 Ų102117.8 Ų117.863%0.62662%0.618SS**  trans-51.7113.6168.9-26.70000100.8C397 A401C397-T399 PolarHBondContact O-N 3.17Å; T399-A401 PolarHBondContact O-N 3.41Å
400V36.1Very low46.5Very low123 Ų123113.7 Ų113.775%0.74561%0.609SS**  trans-60.191.5168.7177.40000100.3T398T398-V400 VanDerWaalsContact C-N 3.27Å; T398-V400 PolarHBondContact O-N 3.44Å
401A33.8Very low46.1Very low52 Ų52108.6 Ų108.643%0.4359%0.594SS.*  trans-50.1120.3-179.500000101.8T399 T403T399-A401 PolarHBondContact O-N 3.41Å; A401-T403 VanDerWaalsContact O-CA 3.28Å; A401-T403 WeakPolarHBondContact O-CA 3.3Å; A401-T403 PolarHBondContact O-N 3.33Å
402P29Very low46.3Very low116 Ų116108.7 Ų108.775%0.75361%0.606SS**SBendtrans-47114.3-170.518.7-31000104.1L404P402-L404 PolarHBondContact O-N 2.85Å
403T31.6Very low46.8Very low113 Ų113101.8 Ų101.869%0.69358%0.582SS**  trans-30102.9-159.9-16.10000106.5A401 P405A401-T403 VanDerWaalsContact O-CA 3.28Å; A401-T403 WeakPolarHBondContact O-CA 3.3Å; A401-T403 PolarHBondContact O-N 3.33Å; T403-P405 VanDerWaalsContact C-N 3.28Å; T403-P405 WeakPolarHBondContact O-CA 3.43Å; T403-P405 VanDerWaalsContact O-CD 3.26Å; T403-P405 WeakPolarHBondContact O-CD 3.41Å
404L35.9Very low47.4Very low91 Ų9198.7 Ų98.748%0.47657%0.571SS.*  trans-51.3107.3173.8-117.6154.8000102.4P402 S406 L407P402-L404 PolarHBondContact O-N 2.85Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 WeakPolarHBondContact O-CA 3.38Å; L404-S406 PolarHBondContact O-N 3.42Å; L404-L407 HydrophobicContact CD2-CD1 3.87Å; L404-L407 PolarHBondContact O-N 3Å
405P29.8Very low48.3Very low100 Ų100101.4 Ų101.465%0.64958%0.58SS**THydrogen-bonded Turntrans-54.5100.4-145.712.6-29.5000107.3T403 L407T403-P405 VanDerWaalsContact C-N 3.28Å; T403-P405 WeakPolarHBondContact O-CA 3.43Å; T403-P405 VanDerWaalsContact O-CD 3.26Å; T403-P405 WeakPolarHBondContact O-CD 3.41Å; P405-L407 WeakPolarHBondContact O-CA 3.26Å; P405-L407 PolarHBondContact O-N 3.26Å
406S33.1Very low49.5Very low73 Ų73103 Ų10351%0.5158%0.58SS.*THydrogen-bonded Turntrans1267-171.949.80000112.3L404 Q408 Q409L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 WeakPolarHBondContact O-CA 3.38Å; L404-S406 PolarHBondContact O-N 3.42Å; S406-Q408 CarbonylContact O-C 3.58Å; S406-Q408 VanDerWaalsContact O-C 3.29Å; S406-Q408 PolarHBondContact O-N 2.95Å; S406-Q409 PolarHBondContact O-N 2.79Å; S406-Q409 VanDerWaalsContact O-N 3.11Å
407L38.5Very low50.9Low130 Ų13096.8 Ų96.868%0.68155%0.553SS**SBendtrans-69.4-2.6-178.6-87.2179.1000111.4L404 P405L404-L407 HydrophobicContact CD2-CD1 3.87Å; L404-L407 PolarHBondContact O-N 3Å; P405-L407 WeakPolarHBondContact O-CA 3.26Å; P405-L407 PolarHBondContact O-N 3.26Å
408Q41.1Very low53Low86 Ų8698.5 Ų98.540%0.40255%0.552SS.*SBendtrans-129104.4145.2-71.9163.4-23.100106.8S406 E410S406-Q408 CarbonylContact O-C 3.58Å; S406-Q408 VanDerWaalsContact O-C 3.29Å; S406-Q408 PolarHBondContact O-N 2.95Å; Q408-E410 PolarHBondContact O-N 2.59Å
409Q41.9Very low54.8Low161 Ų16199.3 Ų99.375%0.75254%0.542SS*.  trans-47.2126.4147.8-83.1175.7-19.600105.3S406 A411S406-Q409 PolarHBondContact O-N 2.79Å; S406-Q409 VanDerWaalsContact O-N 3.11Å; Q409-A411 PolarHBondContact O-N 3.34Å
410E50.8Low57.1Low159 Ų15994.7 Ų94.774%0.74351%0.514SS*.  trans-42.1107.4177.7-68.6-170.7165.500107.7Q408 P412Q408-E410 PolarHBondContact O-N 2.59Å; E410-P412 WeakPolarHBondContact O-CD 3.3Å
411A58.1Low59.5Low51 Ų5189 Ų8942%0.42148%0.479SS..PPolyproline II helixtrans-57.4116.9-172.600000105.8P12 Q409 L413P12-A411 HydrophobicContact CG-CB 4.34Å; Q409-A411 PolarHBondContact O-N 3.34Å; A411-L413 PolarHBondContact O-N 3.21Å
412P70.1Confident61.9Low111 Ų11189.8 Ų89.872%0.72148%0.482SS*.PPolyproline II helixtrans-61.6123.2-163.520.1-31.5000108.5E410 S414E410-P412 WeakPolarHBondContact O-CD 3.3Å; P412-S414 PolarHBondContact O-N 3.41Å
413L79.8Confident64.4Low32 Ų3290 Ų9017%0.16847%0.467CS..PPolyproline II helixtrans-52139174.1-69174.1000109.4P12 I232 Y233 A411 V417 K418P12-L413 HydrophobicContact CB-CD2 4.23Å; P12-L413 HydrophobicContact CG-CD2 4.1Å; I232-L413 HydrophobicContact CG2-CD1 3.74Å; I232-L413 HydrophobicContact CG2-CD2 4.2Å; I232-L413 HydrophobicContact CG2-CG 4.31Å; Y233-L413 HydrophobicContact CD1-CD2 4.3Å; Y233-L413 HydrophobicContact CE1-CD2 3.41Å; Y233-L413 VanDerWaalsContact CE1-CD2 3.41Å; A411-L413 PolarHBondContact O-N 3.21Å; L413-V417 HydrophobicContact CD1-CG1 4.45Å; L413-V417 HydrophobicContact CD2-CG1 4.02Å; L413-K418 HydrophobicContact CB-CD 4.34Å; L413-K418 HydrophobicContact CB-CG 3.68Å; L413-K418 HydrophobicContact CD1-CG 4.37Å; L413-K418 WeakPolarHBondContact O-CD 3.11Å; L413-K418 WeakPolarHBondContact O-CE 3.4Å; L413-K418 PolarHBondContact O-NZ 3.05Å
414S83.8Confident66.9Low58 Ų5884.6 Ų84.641%0.40644%0.435SS..PPolyproline II helixtrans-59149.3175.374.80000110.2P412 R416 V417 K418P412-S414 PolarHBondContact O-N 3.41Å; S414-R416 PolarHBondContact O-N 2.96Å; S414-R416 VanDerWaalsContact O-N 3.17Å; S414-V417 PolarHBondContact O-N 3.47Å; S414-V417 VanDerWaalsContact O-N 3.07Å; S414-V417 VanDerWaalsContact OG-CG2 3.26Å; S414-V417 WeakPolarHBondContact OG-CG2 3.5Å; S414-V417 PolarHBondContact OG-N 3.31Å; S414-K418 PolarHBondContact O-N 2.74Å
415Q83.5Confident69.2Low154 Ų15483.4 Ų83.472%0.7243%0.426SS*.Hα-helixtrans-56.4-35.6-178.4-69.6-176.5-9.300112.4K418 R419Q415-K418 PolarHBondContact O-N 3.16Å; Q415-R419 WeakPolarHBondContact O-CG 3.37Å; Q415-R419 PolarHBondContact O-N 3.48Å; Q415-R419 VanDerWaalsContact O-N 3.12Å
416R83.9Confident71.6Confident126 Ų12680.7 Ų80.748%0.47541%0.412SS..Hα-helixtrans-58.8-52.2174.3-76.6-177.865.1-172.61.2112.1V261 E265 S414 K418 R419 A420V261-R416 HydrophobicContact CG1-CB 4.27Å; E265-R416 WeakPolarHBondContact OE1-CB 3.27Å; E265-R416 IonicContact OE1-CZ 3.6Å; E265-R416 IonicContact OE1-NE 2.86Å; E265-R416 PolarHBondContact OE1-NE 2.8Å; E265-R416 IonicContact OE1-NH2 3.48Å; E265-R416 PolarHBondContact OE1-NH2 2.76Å; E265-R416 IonicContact OE2-CZ 3.58Å; E265-R416 IonicContact OE2-NE 3.63Å; E265-R416 IonicContact OE2-NH2 2.7Å; E265-R416 PolarHBondContact OE2-NH2 2.82Å; S414-R416 PolarHBondContact O-N 2.96Å; S414-R416 VanDerWaalsContact O-N 3.17Å; R416-K418 VanDerWaalsContact C-N 3.35Å; R416-K418 PolarHBondContact O-N 3.49Å; R416-R419 PolarHBondContact O-N 2.83Å; R416-A420 PolarHBondContact O-N 3.01Å
417V84.4Confident73.7Confident5 Ų578.2 Ų78.23%0.0339%0.393CS..Hα-helixtrans-63.4-42.1178176.70000110.6F9 Y233 V261 L413 S414 R419 A420 T421F9-V417 HydrophobicContact CE2-CG1 4.15Å; F9-V417 HydrophobicContact CE2-CG2 3.89Å; F9-V417 HydrophobicContact CZ-CG1 4.31Å; Y233-V417 HydrophobicContact CD1-CG1 4.03Å; Y233-V417 HydrophobicContact CE1-CG1 4.13Å; V261-V417 HydrophobicContact CB-CG2 4.28Å; V261-V417 HydrophobicContact CG1-CG2 3.77Å; V261-V417 HydrophobicContact CG2-CG2 3.84Å; L413-V417 HydrophobicContact CD1-CG1 4.45Å; L413-V417 HydrophobicContact CD2-CG1 4.02Å; S414-V417 PolarHBondContact O-N 3.47Å; S414-V417 VanDerWaalsContact O-N 3.07Å; S414-V417 VanDerWaalsContact OG-CG2 3.26Å; S414-V417 WeakPolarHBondContact OG-CG2 3.5Å; S414-V417 PolarHBondContact OG-N 3.31Å; V417-R419 VanDerWaalsContact C-N 3.29Å; V417-R419 PolarHBondContact O-N 2.81Å; V417-A420 PolarHBondContact O-N 2.83Å; V417-T421 HydrophobicContact CG1-CG2 3.58Å; V417-T421 VanDerWaalsContact O-CB 3.28Å; V417-T421 WeakPolarHBondContact O-CB 3.3Å; V417-T421 WeakPolarHBondContact O-CG2 3.46Å; V417-T421 PolarHBondContact O-N 3.38Å; V417-T421 PolarHBondContact O-OG1 3.48Å
418K86.7Confident75.4Confident106 Ų10673 Ų7346%0.46137%0.367SS..Hα-helixtrans-56.4-40.7176.5-72.2177.1172.7170.80113L413 S414 Q415 R416 T421 S422L413-K418 HydrophobicContact CB-CD 4.34Å; L413-K418 HydrophobicContact CB-CG 3.68Å; L413-K418 HydrophobicContact CD1-CG 4.37Å; L413-K418 WeakPolarHBondContact O-CD 3.11Å; L413-K418 WeakPolarHBondContact O-CE 3.4Å; L413-K418 PolarHBondContact O-NZ 3.05Å; S414-K418 PolarHBondContact O-N 2.74Å; Q415-K418 PolarHBondContact O-N 3.16Å; R416-K418 VanDerWaalsContact C-N 3.35Å; R416-K418 PolarHBondContact O-N 3.49Å; K418-T421 WeakPolarHBondContact CA-OG1 3.27Å; K418-T421 PolarHBondContact O-OG1 3.25Å; K418-S422 WeakPolarHBondContact O-CB 3.2Å; K418-S422 PolarHBondContact O-N 3.13Å; K418-S422 VanDerWaalsContact O-N 3.08Å; K418-S422 PolarHBondContact O-OG 3.41Å
419R83.9Confident77.1Confident137 Ų13774.9 Ų74.952%0.51738%0.376SS..Hα-helixtrans-68.7-42.4178.1-71.6175.5-179.8-178.2-1.3113Q415 R416 V417 S422Q415-R419 WeakPolarHBondContact O-CG 3.37Å; Q415-R419 PolarHBondContact O-N 3.48Å; Q415-R419 VanDerWaalsContact O-N 3.12Å; R416-R419 PolarHBondContact O-N 2.83Å; V417-R419 VanDerWaalsContact C-N 3.29Å; V417-R419 PolarHBondContact O-N 2.81Å; R419-S422 PolarHBondContact O-OG 3.19Å
420A82.7Confident78.5Confident5 Ų572.4 Ų72.44%0.04137%0.368CS..Hα-helixtrans-68.7-45.1177.900000111.3T264 E265 A268 R416 V417 S422 R423 L424T264-A420 HydrophobicContact CG2-CB 4.09Å; E265-A420 HydrophobicContact CG-CB 3.95Å; A268-A420 HydrophobicContact CB-CB 3.96Å; A268-A420 WeakPolarHBondContact CB-O 3.29Å; R416-A420 PolarHBondContact O-N 3.01Å; V417-A420 PolarHBondContact O-N 2.83Å; A420-S422 PolarHBondContact O-N 2.78Å; A420-R423 PolarHBondContact O-N 3.33Å; A420-L424 WeakPolarHBondContact O-CG 2.96Å; A420-L424 PolarHBondContact O-N 2.96Å
421T86.6Confident79.4Confident3 Ų368.2 Ų68.22%0.01835%0.345CS..Hα-helixtrans-68.7-32.8-176.558.10000112.7Y233 T264 V417 K418 R423 L424 K425Y233-T421 HydrophobicContact CD1-CG2 4.07Å; Y233-T421 WeakPolarHBondContact O-CB 3.28Å; Y233-T421 VanDerWaalsContact O-CG2 3.27Å; Y233-T421 WeakPolarHBondContact O-CG2 3.43Å; T264-T421 HydrophobicContact CG2-CG2 4.38Å; V417-T421 HydrophobicContact CG1-CG2 3.58Å; V417-T421 VanDerWaalsContact O-CB 3.28Å; V417-T421 WeakPolarHBondContact O-CB 3.3Å; V417-T421 WeakPolarHBondContact O-CG2 3.46Å; V417-T421 PolarHBondContact O-N 3.38Å; V417-T421 PolarHBondContact O-OG1 3.48Å; K418-T421 WeakPolarHBondContact CA-OG1 3.27Å; K418-T421 PolarHBondContact O-OG1 3.25Å; T421-R423 VanDerWaalsContact C-N 3.33Å; T421-R423 PolarHBondContact O-N 3.01Å; T421-L424 PolarHBondContact O-N 3.32Å; T421-K425 WeakPolarHBondContact O-CB 3.47Å; T421-K425 WeakPolarHBondContact O-CG 3.29Å; T421-K425 PolarHBondContact O-N 2.87Å
422S84.7Confident79.9Confident68 Ų6871.5 Ų71.548%0.47635%0.35SS..Hα-helixtrans-61.9-40.6175.763.40000112.2K418 R419 A420 A426K418-S422 WeakPolarHBondContact O-CB 3.2Å; K418-S422 PolarHBondContact O-N 3.13Å; K418-S422 VanDerWaalsContact O-N 3.08Å; K418-S422 PolarHBondContact O-OG 3.41Å; R419-S422 PolarHBondContact O-OG 3.19Å; A420-S422 PolarHBondContact O-N 2.78Å; S422-A426 PolarHBondContact O-N 2.73Å; S422-A426 VanDerWaalsContact O-N 3.16Å
423R81.6Confident79.5Confident120 Ų12070.1 Ų70.145%0.45334%0.342SS..Hα-helixtrans-64.2-47.4174.7-65.7175.8175.3179.1-7.7111.4A268 E269 A420 T421 K425 A426 T427A268-R423 HydrophobicContact CB-CB 4.49Å; E269-R423 IonicContact OE2-CZ 2.82Å; E269-R423 IonicContact OE2-NH1 3.75Å; E269-R423 PolarHBondContact OE2-NH1 3.35Å; A420-R423 PolarHBondContact O-N 3.33Å; T421-R423 VanDerWaalsContact C-N 3.33Å; T421-R423 PolarHBondContact O-N 3.01Å; R423-K425 VanDerWaalsContact C-N 3.35Å; R423-K425 PolarHBondContact O-N 3.4Å; R423-A426 WeakPolarHBondContact O-CB 2.91Å; R423-A426 PolarHBondContact O-N 2.66Å; R423-T427 PolarHBondContact O-N 3.09Å; R423-T427 PolarHBondContact O-OG1 2.88Å
424L83.5Confident78.4Confident1 Ų175.5 Ų75.51%0.00536%0.36CS..Hα-helixtrans-62.5-39.8179.2-68.6173.9000112.8L235 R239 T264 I267 A268 A420 T421 T427 V428L235-L424 HydrophobicContact CD2-CD1 3.98Å; R239-L424 PolarHBondContact NH1-O 2.94Å; T264-L424 HydrophobicContact CG2-CD1 3.75Å; I267-L424 HydrophobicContact CG2-CD2 4.07Å; A268-L424 HydrophobicContact CB-CD1 4.23Å; A268-L424 HydrophobicContact CB-CD2 4.08Å; A268-L424 HydrophobicContact CB-CG 3.84Å; A420-L424 WeakPolarHBondContact O-CG 2.96Å; A420-L424 PolarHBondContact O-N 2.96Å; T421-L424 PolarHBondContact O-N 3.32Å; L424-T427 PolarHBondContact O-N 3.44Å; L424-V428 WeakPolarHBondContact O-CG2 3.47Å; L424-V428 PolarHBondContact O-N 2.78Å
425K85.2Confident77.2Confident66 Ų6682.3 Ų82.329%0.28738%0.376SS..Hα-helixtrans-63.9-40.8176.6-74.5177.3-158-163.20112.3N231 I232 T421 R423 T427 V428 Q429N231-K425 WeakPolarHBondContact O-CD 3.46Å; N231-K425 WeakPolarHBondContact O-CE 3.47Å; N231-K425 PolarHBondContact O-NZ 2.93Å; I232-K425 WeakPolarHBondContact O-CE 3.48Å; I232-K425 PolarHBondContact O-NZ 3.04Å; T421-K425 WeakPolarHBondContact O-CB 3.47Å; T421-K425 WeakPolarHBondContact O-CG 3.29Å; T421-K425 PolarHBondContact O-N 2.87Å; R423-K425 VanDerWaalsContact C-N 3.35Å; R423-K425 PolarHBondContact O-N 3.4Å; K425-T427 VanDerWaalsContact C-N 3.28Å; K425-T427 PolarHBondContact O-N 3.37Å; K425-V428 PolarHBondContact O-N 2.85Å; K425-V428 VanDerWaalsContact O-N 3.14Å; K425-Q429 WeakPolarHBondContact O-CG 3.32Å; K425-Q429 PolarHBondContact O-N 3.29Å
426A80.3Confident75.8Confident43 Ų4383 Ų8336%0.35538%0.38SS..Hα-helixtrans-58.3-42.9176.900000111S422 R423 V428 Q429 N430S422-A426 PolarHBondContact O-N 2.73Å; S422-A426 VanDerWaalsContact O-N 3.16Å; R423-A426 WeakPolarHBondContact O-CB 2.91Å; R423-A426 PolarHBondContact O-N 2.66Å; A426-V428 PolarHBondContact O-N 3.31Å; A426-Q429 PolarHBondContact O-N 3Å; A426-N430 PolarHBondContact O-N 3.11Å
427T77.1Confident74.2Confident20 Ų2081.3 Ų81.312%0.12339%0.387CS..Hα-helixtrans-62.1-42.1175.1-43.40000112.4R239 T273 R423 L424 K425 N430 R431R239-T427 VanDerWaalsContact NH2-CB 3.34Å; T273-T427 WeakPolarHBondContact OG1-CG2 3.46Å; R423-T427 PolarHBondContact O-N 3.09Å; R423-T427 PolarHBondContact O-OG1 2.88Å; L424-T427 PolarHBondContact O-N 3.44Å; K425-T427 VanDerWaalsContact C-N 3.28Å; K425-T427 PolarHBondContact O-N 3.37Å; T427-N430 PolarHBondContact O-N 2.95Å; T427-R431 WeakPolarHBondContact O-CG 3.14Å; T427-R431 PolarHBondContact O-N 3.27Å; T427-R431 VanDerWaalsContact O-N 3.08Å
428V74.7Confident72.1Confident21 Ų2184.8 Ų84.813%0.12741%0.412CS..Hα-helixtrans-65.1-41.3178.4174.90000111.5T230 L424 K425 A426 R431 K432T230-V428 HydrophobicContact CG2-CG1 4.31Å; L424-V428 WeakPolarHBondContact O-CG2 3.47Å; L424-V428 PolarHBondContact O-N 2.78Å; K425-V428 PolarHBondContact O-N 2.85Å; K425-V428 VanDerWaalsContact O-N 3.14Å; A426-V428 PolarHBondContact O-N 3.31Å; V428-R431 PolarHBondContact O-N 2.92Å; V428-K432 PolarHBondContact O-N 3.42Å; V428-K432 VanDerWaalsContact O-N 3.1Å
429Q75.2Confident69.7Low126 Ų12685.3 Ų85.359%0.58943%0.426SS*.Hα-helixtrans-64-45.4177.4-73.5177.1-18.400111.4K425 A426 R431 K432 C433K425-Q429 WeakPolarHBondContact O-CG 3.32Å; K425-Q429 PolarHBondContact O-N 3.29Å; A426-Q429 PolarHBondContact O-N 3Å; Q429-R431 VanDerWaalsContact C-N 3.28Å; Q429-R431 PolarHBondContact O-N 3.06Å; Q429-K432 PolarHBondContact O-N 3.48Å; Q429-K432 VanDerWaalsContact O-N 3.07Å; Q429-C433 PolarHBondContact O-N 3.3Å
430N72.1Confident67.5Low109 Ų10983.6 Ų83.658%0.58344%0.435SS*.Hα-helixtrans-58.8-39.3175.9-73-12.1000112.3A426 T427 R434A426-N430 PolarHBondContact O-N 3.11Å; T427-N430 PolarHBondContact O-N 2.95Å; N430-R434 WeakPolarHBondContact O-CB 3.32Å; N430-R434 PolarHBondContact O-N 3.45Å; N430-R434 VanDerWaalsContact O-N 3.07Å
431R69Low65.3Low71 Ų7191.3 Ų91.327%0.26848%0.475SS..Hα-helixtrans-63.3-40.8174.5-73.7174.1175.2-162.2-7.1112.4D236 T273 T427 V428 Q429 R435D236-R431 IonicContact OD2-NH1 3.92Å; D236-R431 PolarHBondContact OD2-NH1 3.05Å; D236-R431 VanDerWaalsContact OD2-NH1 3.16Å; T273-R431 PolarHBondContact OG1-NH2 2.45Å; T427-R431 WeakPolarHBondContact O-CG 3.14Å; T427-R431 PolarHBondContact O-N 3.27Å; T427-R431 VanDerWaalsContact O-N 3.08Å; V428-R431 PolarHBondContact O-N 2.92Å; Q429-R431 VanDerWaalsContact C-N 3.28Å; Q429-R431 PolarHBondContact O-N 3.06Å; R431-R435 PolarHBondContact O-N 3.06Å
432K68.2Low62.7Low120 Ų12097.3 Ų97.352%0.52251%0.507SS..Hα-helixtrans-66.1-46.9177.6-75.5-176.8179179.70111.8V428 Q429 R434 R435 Q436V428-K432 PolarHBondContact O-N 3.42Å; V428-K432 VanDerWaalsContact O-N 3.1Å; Q429-K432 PolarHBondContact O-N 3.48Å; Q429-K432 VanDerWaalsContact O-N 3.07Å; K432-R434 PolarHBondContact O-N 3.16Å; K432-R435 PolarHBondContact O-N 2.88Å; K432-Q436 PolarHBondContact O-N 3.41Å
433C62Low60.4Low82 Ų82101 Ų10155%0.55453%0.526SS*.Hα-helixtrans-60.8-44.7177.9-660000111.9Q429 R435 Q436 S437Q429-C433 PolarHBondContact O-N 3.3Å; C433-R435 VanDerWaalsContact C-N 3.25Å; C433-R435 PolarHBondContact O-N 3.28Å; C433-Q436 PolarHBondContact O-N 3.38Å; C433-Q436 VanDerWaalsContact O-N 3.16Å; C433-S437 PolarHBondContact O-N 3.43Å; C433-S437 PolarHBondContact O-OG 2.93Å
434R57.5Low58.2Low145 Ų14599.8 Ų99.855%0.54754%0.537SS..Hα-helixtrans-64.4-23.4176.7-82.8-176.7170.3-170.7-2.8114.4N430 K432 S437N430-R434 WeakPolarHBondContact O-CB 3.32Å; N430-R434 PolarHBondContact O-N 3.45Å; N430-R434 VanDerWaalsContact O-N 3.07Å; K432-R434 PolarHBondContact O-N 3.16Å; R434-S437 PolarHBondContact O-OG 3.47Å
435R57.3Low55.7Low200 Ų200105 Ų10576%0.75557%0.573SS**Hα-helixtrans-80.7-26.4175.8-84.4-175.2165.3175.2-1.5112.6R431 K432 C433 S438R431-R435 PolarHBondContact O-N 3.06Å; K432-R435 PolarHBondContact O-N 2.88Å; C433-R435 VanDerWaalsContact C-N 3.25Å; C433-R435 PolarHBondContact O-N 3.28Å; R435-S438 PolarHBondContact O-OG 2.79Å
436Q56Low53.5Low170 Ų170111.5 Ų111.579%0.79460%0.601SS**Hα-helixtrans-83.2-21.2177.2-69.6178.3-13.100112.5K432 C433K432-Q436 PolarHBondContact O-N 3.41Å; C433-Q436 PolarHBondContact O-N 3.38Å; C433-Q436 VanDerWaalsContact O-N 3.16Å
437S50.2Low51.4Low90 Ų90118.2 Ų118.263%0.62963%0.63SS**SBendtrans-930.5-178.966.40000115.1C433 R434 P439C433-S437 PolarHBondContact O-N 3.43Å; C433-S437 PolarHBondContact O-OG 2.93Å; R434-S437 PolarHBondContact O-OG 3.47Å; S437-P439 WeakPolarHBondContact O-CD 3.06Å
438S39.4Very low49.4Very low78 Ų78122.4 Ų122.455%0.54567%0.667SS.*SBendtrans-82117.9174.550.10000110R435 S440R435-S438 PolarHBondContact O-OG 2.79Å; S438-S440 PolarHBondContact O-N 3.44Å
439P35.5Very low47.4Very low117 Ų117124.7 Ų124.776%0.7669%0.694SS**  trans-66.4134.3179.328.3-32.9000109.5S437 L441S437-P439 WeakPolarHBondContact O-CD 3.06Å; P439-L441 PolarHBondContact O-N 2.82Å; P439-L441 VanDerWaalsContact O-N 3.1Å
440S37.6Very low45.4Very low101 Ų101130.3 Ų130.371%0.70671%0.71SS**  trans-54.9114.9165.646.10000108.3S438 D442S438-S440 PolarHBondContact O-N 3.44Å; S440-D442 VanDerWaalsContact C-N 3.32Å; S440-D442 PolarHBondContact O-N 2.9Å
441L37.3Very low43.5Very low166 Ų166131.4 Ų131.487%0.86973%0.725SS**  trans-63.299.7164.9-89.5148.6000107.1P439 T443P439-L441 PolarHBondContact O-N 2.82Å; P439-L441 VanDerWaalsContact O-N 3.1Å; L441-T443 PolarHBondContact O-N 3.22Å
442D32.3Very low42Very low130 Ų130133.4 Ų133.470%0.69575%0.747SS**  trans-55.4102.8169.7-93.7-26.6000109.3S440 S444S440-D442 VanDerWaalsContact C-N 3.32Å; S440-D442 PolarHBondContact O-N 2.9Å; D442-S444 PolarHBondContact O-N 2.8Å
443T36Very low40.7Very low144 Ų144133.2 Ų133.288%0.88376%0.761SS**  trans-77.868.5158.8500000108.8L441L441-T443 PolarHBondContact O-N 3.22Å
444S34.6Very low39.4Very low96 Ų96138.5 Ų138.567%0.67178%0.778SS**  trans-145.656.116777.70000111.3D442D442-S444 PolarHBondContact O-N 2.8Å
445S32.8Very low38.6Very low109 Ų109136 Ų13676%0.76279%0.788SS**  trans-139.356.4173.972.30000111.8
446K37.3Very low37.8Very low204 Ų204134.1 Ų134.189%0.88779%0.793SS**  trans-150.178.7161.5-79.2-166.5-179175.50109.6
447L36.5Very low37Very low183 Ų183135.6 Ų135.696%0.95880%0.796SS**  trans-163.268.1153.2-99.2160.4000106.4
448A34.8Very low36.6Very low109 Ų109136.5 Ų136.590%0.90180%0.8SS**  trans-85.2122.1163.900000107.2
449G34.1Very low36.8Very low68 Ų68142.1 Ų142.170%0.70182%0.815SS**  trans153.3109.1169.300000113
450W32.6Very low36.9Very low245 Ų245148.5 Ų148.593%0.92882%0.824SS**  trans89.3104.1159.1-80.739.4000119.5
451C32.1Very low37.4Very low131 Ų131149.3 Ų149.389%0.88583%0.829SS**  trans-121.8137145-72.90000108.6
452P38Very low37.4Very low113 Ų113152.7 Ų152.773%0.73483%0.831SS**  trans-111.7156.2144.70.919.9000111.7
453S40.2Very low38Very low116 Ų116154.3 Ų154.381%0.81184%0.839SS**  trans-69.1162.6-16350.40000117.6
454E35.4Very low38.7Very low194 Ų194157.9 Ų157.991%0.90786%0.86SS**  trans-38.7132.2169.6-64.9169.2129.700115.8
455A40.1Very low39Very low92 Ų92161 Ų16176%0.7687%0.87SS**  trans-175.9148131.100000109.8
456D40.7Very low39.3Very low161 Ų161163.7 Ų163.786%0.86188%0.875SS**  trans77.388.1168.5-66.1-16.3000120.2
457K39.3Very low39.4Very low200 Ų200161.4 Ų161.487%0.8788%0.875SS**  trans-69.3148.4138.8-80.3-179.1-178.3172.10107.9
458P42.2Very low39.6Very low109 Ų109160.2 Ų160.271%0.70887%0.87SS**  -158.7167.573.539.4-17.3000119.5
459K42.4Very low39.9Very low197 Ų197163.4 Ų163.486%0.85787%0.868SS**  trans79.5109.1145.3-78.3163.2-174.8-176.50120.3
460R38.7Very low40.2Very low250 Ų250169.7 Ų169.794%0.94388%0.879SS**  trans-44.6136.2148.9-80.3176.8165.3-169.2-3.6111.9
461S47.6Very low40.8Very low118 Ų118164.4 Ų164.483%0.82588%0.875SS**  trans-140.2128140.353.40000109.4
462R37.3Very low41.4Very low238 Ų238166.9 Ų166.990%0.89888%0.875SS**  trans-74.2146.5157.4-91.6178.6172.7177.8-3.5107.5
463L44.5Very low41.7Very low164 Ų164171.4 Ų171.486%0.85989%0.886SS**  trans169.1107.9131.6-90.2153.5000110.2
464T52.5Low41.9Very low218 Ų218176.5 Ų176.5100%1.33789%0.893SS**  -166.60113.121.90000108.9

Retrieved 464 of 464 residues in 154.7 ms (Link to these results)

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