A0A077Z2I1_TRITR Loading...

Dentin matrix protein 4

AlphaFold DB , UniProt , Accession A0A077Z2I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 359 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
1M79.4Confident90.9Very high130 Ų13072.1 Ų72.164%0.6437%0.369SS*.  0143.10-63.6-179.8-7100109.8F6 P161 F235M1-F6 WeakPolarHBondContact CA-O 3.48Å; M1-F6 HydrophobicContact CG-CD1 4.43Å; M1-F6 WeakPolarHBondContact CG-O 3.45Å; M1-F6 PolarHBondContact N-O 3.12Å; M1-F6 VanDerWaalsContact N-O 3.11Å; M1-F6 HydrophobicContact SD-CD1 4.33Å; M1-P161 HydrophobicContact CE-CG 3.79Å; M1-P161 HydrophobicContact SD-CG 4.2Å; M1-F235 HydrophobicContact SD-CE2 3.92Å; M1-F235 HydrophobicContact SD-CZ 3.89Å
2S84.2Confident91.3Very high35 Ų3571.8 Ų71.825%0.24537%0.373CS..  trans-128.8176.2172.677.40000109.7C4 S5S2-C4 PolarHBondContact O-N 3.28Å; S2-C4 VanDerWaalsContact O-N 3.15Å; S2-C4 PolarHBondContact OG-N 2.92Å; S2-C4 VanDerWaalsContact OG-N 3.15Å; S2-S5 PolarHBondContact N-O 2.79Å; S2-S5 PolarHBondContact OG-N 2.84Å; S2-S5 VanDerWaalsContact OG-N 3.14Å; S2-S5 PolarHBondContact OG-OG 3.44Å
3E83.5Confident91.7Very high124 Ų12466.3 Ų66.358%0.57935%0.345SS*.SBendtrans-62.6-16.2172.8-65.9-176.3176.900113.3F244E3-F244 PolarHBondContact O-N 2.66Å
4C88.3Confident92Very high77 Ų7770.2 Ų70.252%0.5236%0.36SS..SBendtrans-116.7-11.6-172.4-62.10000114.8S2S2-C4 PolarHBondContact O-N 3.28Å; S2-C4 VanDerWaalsContact O-N 3.15Å; S2-C4 PolarHBondContact OG-N 2.92Å; S2-C4 VanDerWaalsContact OG-N 3.15Å
5S94.5Very high92.3Very high6 Ų673.7 Ų73.74%0.04238%0.375CS..  trans-160153.6-172.559.80000113.1S2 N8 R91 F244S2-S5 PolarHBondContact N-O 2.79Å; S2-S5 PolarHBondContact OG-N 2.84Å; S2-S5 VanDerWaalsContact OG-N 3.14Å; S2-S5 PolarHBondContact OG-OG 3.44Å; S5-N8 PolarHBondContact OG-OD1 3.15Å; S5-R91 CarbonylContact C-O 3.51Å; S5-R91 WeakPolarHBondContact CA-O 3.25Å; S5-R91 WeakPolarHBondContact CB-O 3.1Å; S5-F244 VanDerWaalsContact C-CZ 3.48Å; S5-F244 VanDerWaalsContact N-CE1 3.34Å
6F95.5Very high92.6Very high11 Ų1172.4 Ų72.45%0.04837%0.368CS..SBendtrans-68.2-41.9172.1-82.8-59.5000112.1M1 R91 R92 L94 L160 F235 F244 M246M1-F6 WeakPolarHBondContact CA-O 3.48Å; M1-F6 HydrophobicContact CG-CD1 4.43Å; M1-F6 WeakPolarHBondContact CG-O 3.45Å; M1-F6 PolarHBondContact N-O 3.12Å; M1-F6 VanDerWaalsContact N-O 3.11Å; M1-F6 HydrophobicContact SD-CD1 4.33Å; F6-R91 PolarHBondContact N-O 3.41Å; F6-R92 VanDerWaalsContact CD2-C 3.43Å; F6-R92 VanDerWaalsContact CD2-O 3.32Å; F6-R92 WeakPolarHBondContact CD2-O 3.43Å; F6-R92 WeakPolarHBondContact CE2-O 3.45Å; F6-L94 HydrophobicContact CD1-CD2 3.71Å; F6-L94 HydrophobicContact CD2-CD2 4.03Å; F6-L94 HydrophobicContact CD2-CG 4.32Å; F6-L94 HydrophobicContact CE1-CD2 3.49Å; F6-L94 VanDerWaalsContact CE1-CD2 3.49Å; F6-L94 HydrophobicContact CE1-CG 4.25Å; F6-L94 HydrophobicContact CE2-CD2 3.81Å; F6-L94 HydrophobicContact CE2-CG 3.8Å; F6-L94 HydrophobicContact CG-CD2 3.98Å; F6-L94 HydrophobicContact CZ-CD1 4.44Å; F6-L94 HydrophobicContact CZ-CD2 3.53Å; F6-L94 HydrophobicContact CZ-CG 3.76Å; F6-L160 HydrophobicContact CE1-CD2 3.64Å; F6-L160 HydrophobicContact CZ-CD2 3.83Å; F6-F235 AromaticContact CD1-CE2 3.91Å; F6-F235 HydrophobicContact CD1-CE2 3.91Å; F6-F235 HydrophobicContact CD1-CZ 4.31Å; F6-F235 AromaticContact CE1-CE2 3.44Å; F6-F235 HydrophobicContact CE1-CE2 3.44Å; F6-F235 VanDerWaalsContact CE1-CE2 3.44Å; F6-F235 AromaticContact CE1-CZ 3.6Å; F6-F235 HydrophobicContact CE1-CZ 3.6Å; F6-F235 HydrophobicContact CZ-CE2 4.38Å; F6-F244 HydrophobicContact CB-CZ 4.35Å; F6-F244 AromaticContact CD1-CZ 3.9Å; F6-F244 HydrophobicContact CD1-CZ 3.9Å; F6-F244 AromaticContact CD2-CE2 3.87Å; F6-F244 HydrophobicContact CD2-CE2 3.87Å; F6-F244 AromaticContact CD2-CZ 3.82Å; F6-F244 HydrophobicContact CD2-CZ 3.82Å; F6-F244 HydrophobicContact CE1-CZ 4.13Å; F6-F244 AromaticContact CE2-CE2 3.9Å; F6-F244 HydrophobicContact CE2-CE2 3.9Å; F6-F244 HydrophobicContact CE2-CZ 4.07Å; F6-F244 HydrophobicContact CG-CE2 4.26Å; F6-F244 AromaticContact CG-CZ 3.72Å; F6-F244 HydrophobicContact CG-CZ 3.72Å; F6-F244 HydrophobicContact CZ-CE2 4.32Å; F6-F244 HydrophobicContact CZ-CZ 4.22Å; F6-M246 HydrophobicContact CE1-CG 4.35Å; F6-M246 HydrophobicContact CE1-SD 3.85Å; F6-M246 HydrophobicContact CE2-CB 4.03Å; F6-M246 HydrophobicContact CE2-CG 4.03Å; F6-M246 HydrophobicContact CE2-SD 4.39Å; F6-M246 HydrophobicContact CZ-CB 3.91Å; F6-M246 HydrophobicContact CZ-CG 3.56Å; F6-M246 HydrophobicContact CZ-SD 3.38Å; F6-M246 WeakPolarHBondContact CZ-SD 3.43Å
7Y96.1Very high92.8Very high16 Ų1669.1 Ų69.16%0.06335%0.351CS..  trans-142.2148.8-173.358.8-88.8000111.3V13 F82 R86 R91Y7-V13 HydrophobicContact CD1-CG2 4.09Å; Y7-V13 HydrophobicContact CD2-CG2 3.34Å; Y7-V13 HydrophobicContact CE2-CG2 3.94Å; Y7-V13 HydrophobicContact CG-CG2 3.42Å; Y7-V13 VanDerWaalsContact CG-CG2 3.42Å; Y7-F82 HydrophobicContact CE1-CE2 4.05Å; Y7-R86 HydrophobicContact CE2-CG 4.27Å; Y7-R86 WeakPolarHBondContact OH-CA 3.43Å; Y7-R86 VanDerWaalsContact OH-CB 3.27Å; Y7-R86 WeakPolarHBondContact OH-CB 3.31Å; Y7-R86 WeakPolarHBondContact OH-CG 3.24Å; Y7-R91 HydrophobicContact CD1-CB 4.49Å; Y7-R91 HydrophobicContact CD2-CB 4.37Å; Y7-R91 HydrophobicContact CD2-CG 4.33Å; Y7-R91 HydrophobicContact CE1-CB 4.11Å; Y7-R91 HydrophobicContact CE2-CB 4.02Å; Y7-R91 HydrophobicContact CE2-CG 3.78Å; Y7-R91 WeakPolarHBondContact O-CD 3.35Å
8N93.6Very high93Very high111 Ų11169.6 Ų69.659%0.59435%0.352SS*.SBendtrans-128.6-0.2177.3-66.6-31.2000112.5S5S5-N8 PolarHBondContact OG-OD1 3.15Å
9D94.8Very high93.2Very high83 Ų8370.1 Ų70.144%0.44436%0.355SS..  trans-128115.6-179.7-170.6-21000108.9K11 V12 V13D9-K11 VanDerWaalsContact C-N 3.27Å; D9-K11 PolarHBondContact O-N 3.2Å; D9-K11 WeakPolarHBondContact OD1-CB 3.49Å; D9-K11 PolarHBondContact OD1-N 3.28Å; D9-V12 HydrophobicContact CB-CB 4.36Å; D9-V12 HydrophobicContact CB-CG2 4Å; D9-V12 PolarHBondContact O-N 3.26Å; D9-V13 PolarHBondContact O-N 3Å
10E94.1Very high93.4Very high55 Ų5567.1 Ų67.126%0.25734%0.34SS..Hα-helixtrans-65.2-30.4179.6-65.8-60.9148.500112.3V12 V13 E14 R86 R91E10-V12 PolarHBondContact O-N 3.43Å; E10-V13 WeakPolarHBondContact O-CB 3.19Å; E10-V13 PolarHBondContact O-N 3.25Å; E10-E14 WeakPolarHBondContact O-CG 3.4Å; E10-E14 PolarHBondContact O-N 3.11Å; E10-R86 WeakPolarHBondContact OE2-CD 3.4Å; E10-R86 IonicContact OE2-CZ 3.91Å; E10-R86 IonicContact OE2-NE 2.82Å; E10-R86 IonicContact OE2-NH1 2.66Å; E10-R86 PolarHBondContact OE2-NH1 3.13Å; E10-R91 IonicContact OE1-CZ 2.59Å; E10-R91 VanDerWaalsContact OE1-CZ 3.23Å; E10-R91 IonicContact OE1-NH1 3.89Å; E10-R91 PolarHBondContact OE1-NH1 3.02Å; E10-R91 IonicContact OE1-NH2 3.09Å; E10-R91 PolarHBondContact OE1-NH2 3.15Å
11K96.2Very high93.4Very high145 Ų14566 Ų6663%0.6333%0.332SS*.Hα-helixtrans-65.1-43.2179.9-65.5-177177.9-1780111.2D9 V13 E14 E15D9-K11 VanDerWaalsContact C-N 3.27Å; D9-K11 PolarHBondContact O-N 3.2Å; D9-K11 WeakPolarHBondContact OD1-CB 3.49Å; D9-K11 PolarHBondContact OD1-N 3.28Å; K11-V13 VanDerWaalsContact C-N 3.26Å; K11-V13 PolarHBondContact O-N 2.98Å; K11-E14 PolarHBondContact O-N 2.95Å; K11-E15 WeakPolarHBondContact O-CG 3.38Å; K11-E15 PolarHBondContact O-N 2.91Å
12V95.7Very high94.1Very high68 Ų6865.9 Ų65.941%0.41233%0.33SS..Hα-helixtrans-62.2-38176.1177.10000110.7D9 E10 E15 I16D9-V12 HydrophobicContact CB-CB 4.36Å; D9-V12 HydrophobicContact CB-CG2 4Å; D9-V12 PolarHBondContact O-N 3.26Å; E10-V12 PolarHBondContact O-N 3.43Å; V12-E15 PolarHBondContact O-N 3.45Å; V12-I16 HydrophobicContact CG1-CD1 4.11Å; V12-I16 VanDerWaalsContact O-CG1 3.31Å; V12-I16 WeakPolarHBondContact O-CG1 3.42Å; V12-I16 PolarHBondContact O-N 3.17Å
13V96.5Very high94.6Very high1 Ų165 Ų651%0.00632%0.323CS..Hα-helixtrans-66.5-44.5176.1177.70000111.2Y7 D9 E10 K11 E15 I16 I17 F82 R86 P95Y7-V13 HydrophobicContact CD1-CG2 4.09Å; Y7-V13 HydrophobicContact CD2-CG2 3.34Å; Y7-V13 HydrophobicContact CE2-CG2 3.94Å; Y7-V13 HydrophobicContact CG-CG2 3.42Å; Y7-V13 VanDerWaalsContact CG-CG2 3.42Å; D9-V13 PolarHBondContact O-N 3Å; E10-V13 WeakPolarHBondContact O-CB 3.19Å; E10-V13 PolarHBondContact O-N 3.25Å; K11-V13 VanDerWaalsContact C-N 3.26Å; K11-V13 PolarHBondContact O-N 2.98Å; V13-E15 VanDerWaalsContact C-N 3.33Å; V13-E15 PolarHBondContact O-N 3.48Å; V13-I16 PolarHBondContact O-N 3.36Å; V13-I17 HydrophobicContact CG1-CG1 4.28Å; V13-I17 WeakPolarHBondContact O-CB 3.44Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.29Å; V13-F82 HydrophobicContact CG1-CE2 4.48Å; V13-F82 HydrophobicContact CG1-CZ 3.7Å; V13-R86 VanDerWaalsContact CG1-NH2 3.25Å; V13-P95 HydrophobicContact CG1-CG 4.31Å
14E96Very high95.3Very high121 Ų12162.7 Ų62.757%0.56532%0.318SS*.Hα-helixtrans-60.2-42176.2-72.7171.6179.400111.8E10 K11 I17 Q18E10-E14 WeakPolarHBondContact O-CG 3.4Å; E10-E14 PolarHBondContact O-N 3.11Å; K11-E14 PolarHBondContact O-N 2.95Å; E14-I17 PolarHBondContact O-N 3.49Å; E14-Q18 WeakPolarHBondContact O-CB 3.42Å; E14-Q18 PolarHBondContact O-N 3Å
15E96.5Very high95.7Very high123 Ų12359.4 Ų59.458%0.57530%0.296SS*.Hα-helixtrans-61.1-46.8174.1-73.5172.6-169.900111.9K11 V12 V13 I17 Q18 L19K11-E15 WeakPolarHBondContact O-CG 3.38Å; K11-E15 PolarHBondContact O-N 2.91Å; V12-E15 PolarHBondContact O-N 3.45Å; V13-E15 VanDerWaalsContact C-N 3.33Å; V13-E15 PolarHBondContact O-N 3.48Å; E15-I17 VanDerWaalsContact C-N 3.35Å; E15-I17 PolarHBondContact O-N 3.34Å; E15-Q18 PolarHBondContact O-N 3.36Å; E15-L19 WeakPolarHBondContact O-CG 3.29Å; E15-L19 PolarHBondContact O-N 3.25Å
16I96.1Very high95.9Very high52 Ų5263.4 Ų63.427%0.26732%0.316SS..Hα-helixtrans-60-46175.9-69.9166.6000110.7V12 V13 Q18 L19 L20 P95 V158V12-I16 HydrophobicContact CG1-CD1 4.11Å; V12-I16 VanDerWaalsContact O-CG1 3.31Å; V12-I16 WeakPolarHBondContact O-CG1 3.42Å; V12-I16 PolarHBondContact O-N 3.17Å; V13-I16 PolarHBondContact O-N 3.36Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 2.92Å; I16-L19 PolarHBondContact O-N 3.12Å; I16-L20 HydrophobicContact CG2-CD1 4.13Å; I16-L20 HydrophobicContact CG2-CG 4.32Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.5Å; I16-L20 PolarHBondContact O-N 3.08Å; I16-P95 HydrophobicContact CG2-CB 3.93Å; I16-P95 HydrophobicContact CG2-CG 4.39Å; I16-V158 HydrophobicContact CG2-CB 4.17Å; I16-V158 HydrophobicContact CG2-CG1 4.48Å; I16-V158 HydrophobicContact CG2-CG2 4.33Å
17I96.7Very high96Very high17 Ų1766.3 Ų66.39%0.08733%0.33CS..Hα-helixtrans-60.9-40.5178.9-69.5-69.7000110.8V13 E14 E15 L20 R21 F82 P95 V97V13-I17 HydrophobicContact CG1-CG1 4.28Å; V13-I17 WeakPolarHBondContact O-CB 3.44Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.29Å; E14-I17 PolarHBondContact O-N 3.49Å; E15-I17 VanDerWaalsContact C-N 3.35Å; E15-I17 PolarHBondContact O-N 3.34Å; I17-L20 PolarHBondContact O-N 3.49Å; I17-R21 VanDerWaalsContact O-CG 3.3Å; I17-R21 WeakPolarHBondContact O-CG 3.42Å; I17-R21 PolarHBondContact O-N 3.3Å; I17-F82 HydrophobicContact CD1-CE1 3.88Å; I17-F82 HydrophobicContact CD1-CZ 4.41Å; I17-F82 HydrophobicContact CG1-CE1 4.48Å; I17-P95 HydrophobicContact CD1-CB 4.04Å; I17-P95 HydrophobicContact CG1-CB 4.48Å; I17-V97 HydrophobicContact CD1-CB 3.89Å; I17-V97 HydrophobicContact CG2-CB 4.21Å; I17-V97 HydrophobicContact CG2-CG2 3.75Å
18Q96Very high96.1Very high77 Ų7765.5 Ų65.536%0.3633%0.327SS..Hα-helixtrans-64.8-46.1176.4-167.265.513.100111.7E14 E15 I16 L20 R21 E22E14-Q18 WeakPolarHBondContact O-CB 3.42Å; E14-Q18 PolarHBondContact O-N 3Å; E15-Q18 PolarHBondContact O-N 3.36Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 2.92Å; Q18-L20 PolarHBondContact O-N 3.44Å; Q18-R21 WeakPolarHBondContact O-CB 3.16Å; Q18-R21 PolarHBondContact O-N 3.18Å; Q18-R21 VanDerWaalsContact O-N 3.08Å; Q18-E22 PolarHBondContact NE2-OE1 2.98Å; Q18-E22 PolarHBondContact O-N 3.41Å; Q18-E22 VanDerWaalsContact O-N 3.09Å
19L96.3Very high96.2Very high80 Ų8063.8 Ų63.842%0.41931%0.312SS..Hα-helixtrans-59.2-45.7176.7-71.2170.8000111.6E15 I16 R21 E22 L23E15-L19 WeakPolarHBondContact O-CG 3.29Å; E15-L19 PolarHBondContact O-N 3.25Å; I16-L19 PolarHBondContact O-N 3.12Å; L19-R21 PolarHBondContact O-N 3Å; L19-E22 PolarHBondContact O-N 3.46Å; L19-L23 HydrophobicContact CB-CD1 4Å; L19-L23 HydrophobicContact CB-CG 4.26Å; L19-L23 HydrophobicContact CD2-CD1 4.24Å; L19-L23 HydrophobicContact CD2-CD2 4.26Å; L19-L23 HydrophobicContact CD2-CG 4.19Å; L19-L23 VanDerWaalsContact O-CB 3.3Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 VanDerWaalsContact O-CG 3.22Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.43Å
20L96.9Very high96.3Very high10 Ų1060.5 Ų60.55%0.05230%0.295CS..Hα-helixtrans-59.5-31.5176.8-70.5179.3000112.6I16 I17 Q18 F43 A49 V97 R99 L156 V158I16-L20 HydrophobicContact CG2-CD1 4.13Å; I16-L20 HydrophobicContact CG2-CG 4.32Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.5Å; I16-L20 PolarHBondContact O-N 3.08Å; I17-L20 PolarHBondContact O-N 3.49Å; Q18-L20 PolarHBondContact O-N 3.44Å; L20-F43 HydrophobicContact CD2-CE2 4.46Å; L20-A49 HydrophobicContact CD2-CB 3.54Å; L20-V97 HydrophobicContact CB-CG1 3.65Å; L20-V97 HydrophobicContact CD1-CG1 4.19Å; L20-R99 WeakPolarHBondContact O-CD 3.32Å; L20-R99 PolarHBondContact O-NH1 3.22Å; L20-L156 HydrophobicContact CB-CD2 4.01Å; L20-L156 HydrophobicContact CD2-CD2 4.14Å; L20-L156 HydrophobicContact CD2-CG 4.25Å; L20-L156 WeakPolarHBondContact O-CD2 3.24Å; L20-V158 HydrophobicContact CD1-CB 4.22Å
21R94.3Very high96.4Very high44 Ų4459.4 Ų59.417%0.16629%0.292CS..Hα-helixtrans-73.7-41.3177.2-71.5166.8175.9-1714.6112.6I17 Q18 L19 V97 N302 D303I17-R21 VanDerWaalsContact O-CG 3.3Å; I17-R21 WeakPolarHBondContact O-CG 3.42Å; I17-R21 PolarHBondContact O-N 3.3Å; Q18-R21 WeakPolarHBondContact O-CB 3.16Å; Q18-R21 PolarHBondContact O-N 3.18Å; Q18-R21 VanDerWaalsContact O-N 3.08Å; L19-R21 PolarHBondContact O-N 3Å; R21-V97 HydrophobicContact CG-CG1 4.31Å; R21-V97 HydrophobicContact CG-CG2 3.69Å; R21-N302 PolarHBondContact NH1-O 3.11Å; R21-N302 PolarHBondContact NH2-O 2.77Å; R21-D303 IonicContact NH2-OD2 2.62Å
22E93.4Very high96Very high128 Ų12858.4 Ų58.460%0.59828%0.284SS*.Hα-helixtrans-100.2-31.2-164.1-65.2-175.9153.400114Q18 L19Q18-E22 PolarHBondContact NE2-OE1 2.98Å; Q18-E22 PolarHBondContact O-N 3.41Å; Q18-E22 VanDerWaalsContact O-N 3.09Å; L19-E22 PolarHBondContact O-N 3.46Å
23L96.3Very high95.5Very high17 Ų1758.4 Ų58.49%0.08929%0.291CS..SBendtrans-61.7133.5-171.4-74.5179.6000111.6L19 F43 E44 R99L19-L23 HydrophobicContact CB-CD1 4Å; L19-L23 HydrophobicContact CB-CG 4.26Å; L19-L23 HydrophobicContact CD2-CD1 4.24Å; L19-L23 HydrophobicContact CD2-CD2 4.26Å; L19-L23 HydrophobicContact CD2-CG 4.19Å; L19-L23 VanDerWaalsContact O-CB 3.3Å; L19-L23 WeakPolarHBondContact O-CB 3.36Å; L19-L23 VanDerWaalsContact O-CG 3.22Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.43Å; L23-F43 HydrophobicContact CB-CB 4.05Å; L23-F43 HydrophobicContact CB-CD1 3.5Å; L23-F43 HydrophobicContact CB-CE1 4.2Å; L23-F43 HydrophobicContact CB-CG 3.89Å; L23-F43 HydrophobicContact CD1-CB 3.92Å; L23-F43 HydrophobicContact CD1-CG 4.19Å; L23-F43 WeakPolarHBondContact O-CD1 3.5Å; L23-F43 WeakPolarHBondContact O-CE1 3.38Å; L23-E44 HydrophobicContact CD2-CG 3.93Å; L23-E44 WeakPolarHBondContact CD2-OE1 3.26Å; L23-R99 VanDerWaalsContact O-CZ 3.3Å; L23-R99 PolarHBondContact O-NH1 2.99Å; L23-R99 PolarHBondContact O-NH2 2.95Å
24P97.1Very high95Very high74 Ų7460.5 Ų60.548%0.48131%0.313SS..PPolyproline II helixtrans-68.8134.4177.428.5-33.5000110.3L26 F43P24-L26 PolarHBondContact O-N 2.55Å; P24-F43 WeakPolarHBondContact O-CD1 3.42Å
25V97.9Very high94.7Very high9 Ų957.2 Ų57.26%0.05530%0.301CS..PPolyproline II helixtrans-71.8127.1174.8-176.50000108.5V28 L41 F43 D106 N110V25-V28 HydrophobicContact CG1-CG2 3.39Å; V25-L41 HydrophobicContact CG1-CB 4.29Å; V25-L41 HydrophobicContact CG1-CD2 4.37Å; V25-L41 HydrophobicContact CG2-CB 4.49Å; V25-L41 HydrophobicContact CG2-CD1 4.01Å; V25-F43 HydrophobicContact CG2-CE1 3.85Å; V25-D106 HydrophobicContact CB-CB 4.43Å; V25-D106 VanDerWaalsContact CG1-O 3.3Å; V25-D106 WeakPolarHBondContact CG1-O 3.38Å; V25-D106 HydrophobicContact CG2-CB 4.28Å; V25-N110 PolarHBondContact O-ND2 3.36Å
26L97.4Very high94.6Very high89 Ų8951.9 Ų51.947%0.46628%0.276SS..  trans-106.3-37.7-179.3-57.4-178.1000111.9P24 V42 E44 N110P24-L26 PolarHBondContact O-N 2.55Å; L26-V42 PolarHBondContact N-O 3Å; L26-E44 HydrophobicContact CD1-CB 4.4Å; L26-N110 PolarHBondContact O-OD1 2.65Å
27E97.6Very high94.7Very high72 Ų7249.9 Ų49.934%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-141.8150.4176.3-55.2-174.8146.700110.7Y29 V42E27-Y29 HydrophobicContact CB-CD2 4.49Å; E27-Y29 HydrophobicContact CB-CE2 3.66Å; E27-Y29 VanDerWaalsContact CD-OH 3.24Å; E27-Y29 WeakPolarHBondContact OE2-CE2 3.42Å; E27-Y29 PolarHBondContact OE2-OH 3.03Å; E27-V42 HydrophobicContact CB-CB 4.09Å; E27-V42 HydrophobicContact CB-CG2 4.4Å; E27-V42 PolarHBondContact N-O 3.46Å; E27-V42 PolarHBondContact O-N 3.11Å
28V97.9Very high94.7Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-133.3128.9178.2-177.80000110.8V25 L39 A40 L41 D106 L107 N110 S114 L117V25-V28 HydrophobicContact CG1-CG2 3.39Å; V28-L39 HydrophobicContact CG1-CB 4.08Å; V28-L39 HydrophobicContact CG1-CD1 3.97Å; V28-L39 HydrophobicContact CG1-CG 4.49Å; V28-A40 WeakPolarHBondContact CA-O 3.09Å; V28-L41 HydrophobicContact CB-CD2 4.28Å; V28-L41 HydrophobicContact CG1-CD2 3.79Å; V28-L41 HydrophobicContact CG2-CD2 3.61Å; V28-D106 WeakPolarHBondContact CG2-O 3.33Å; V28-L107 HydrophobicContact CG1-CD2 4.34Å; V28-L107 HydrophobicContact CG2-CD2 4.15Å; V28-N110 HydrophobicContact CG2-CB 4.01Å; V28-N110 PolarHBondContact N-O 3.38Å; V28-S114 WeakPolarHBondContact O-CB 3.46Å; V28-L117 HydrophobicContact CB-CD2 4.39Å; V28-L117 HydrophobicContact CG1-CD2 3.55Å
29Y97.1Very high94.8Very high75 Ų7546.9 Ų46.929%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-120.8138179.4-60.2-86.9000111.4E27 V31 L39 A40 V42 T113E27-Y29 HydrophobicContact CB-CD2 4.49Å; E27-Y29 HydrophobicContact CB-CE2 3.66Å; E27-Y29 VanDerWaalsContact CD-OH 3.24Å; E27-Y29 WeakPolarHBondContact OE2-CE2 3.42Å; E27-Y29 PolarHBondContact OE2-OH 3.03Å; Y29-V31 PolarHBondContact O-N 3.18Å; Y29-L39 CarbonylContact O-C 3.5Å; Y29-L39 VanDerWaalsContact O-CA 3.24Å; Y29-L39 WeakPolarHBondContact O-CA 3.36Å; Y29-A40 PolarHBondContact N-O 2.89Å; Y29-A40 PolarHBondContact O-N 3.43Å; Y29-V42 HydrophobicContact CD2-CG2 3.93Å; Y29-V42 HydrophobicContact CE2-CG2 3.78Å; Y29-T113 WeakPolarHBondContact CE1-OG1 3.47Å; Y29-T113 PolarHBondContact OH-OG1 3.34Å
30N96.7Very high94.8Very high13 Ų1343.9 Ų43.97%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-70.4122.4162.6-164-61000110.2L37 S114 D116 L117 G133 K134N30-L37 WeakPolarHBondContact ND2-CD1 3.37Å; N30-S114 PolarHBondContact N-OG 3.06Å; N30-D116 HydrophobicContact CB-CB 4.15Å; N30-L117 HydrophobicContact CB-CB 4.21Å; N30-G133 WeakPolarHBondContact ND2-CA 3.36Å; N30-K134 PolarHBondContact ND2-N 3.34Å; N30-K134 PolarHBondContact OD1-O 2.96Å
31V95.1Very high94.9Very high33 Ų3343.4 Ų43.420%0.224%0.235CC..  trans-86.9118.7177.9-1790000109.6Y29 A33 K38 A40 I50Y29-V31 PolarHBondContact O-N 3.18Å; V31-A33 HydrophobicContact CG1-CB 4.28Å; V31-K38 HydrophobicContact CB-CG 3.72Å; V31-K38 HydrophobicContact CG1-CD 4.44Å; V31-K38 HydrophobicContact CG1-CG 4.16Å; V31-K38 HydrophobicContact CG2-CG 4.28Å; V31-K38 PolarHBondContact N-O 2.98Å; V31-A40 HydrophobicContact CG2-CB 3.72Å; V31-I50 HydrophobicContact CG2-CD1 4.19Å
32R88.1Confident95.1Very high124 Ų12442.1 Ų42.147%0.46823%0.232SC..  trans-80.5-18.8-178.6-66.5-53.9-152.6120.717.6115.2D116 K134R32-D116 IonicContact CZ-OD1 3.73Å; R32-D116 IonicContact CZ-OD2 3.14Å; R32-D116 IonicContact NE-OD1 4Å; R32-D116 IonicContact NE-OD2 2.74Å; R32-D116 PolarHBondContact NE-OD2 2.69Å; R32-D116 IonicContact NH2-OD1 2.88Å; R32-D116 PolarHBondContact NH2-OD1 3.2Å; R32-D116 IonicContact NH2-OD2 2.76Å; R32-D116 PolarHBondContact NH2-OD2 3.44Å; R32-K134 VanDerWaalsContact NH2-CD 3.3Å; R32-K134 VanDerWaalsContact NH2-NZ 3.12Å
33A84.8Confident95.2Very high68 Ų6836.1 Ų36.156%0.56220%0.204SC*.SBendtrans-73.8127179.100000110.2V31 K38V31-A33 HydrophobicContact CG1-CB 4.28Å; A33-K38 WeakPolarHBondContact O-CE 3.22Å; A33-K38 PolarHBondContact O-NZ 3.28Å
34G85.8Confident95.2Very high45 Ų4539.3 Ų39.346%0.46422%0.219SC..SBendtrans99.9-179.5-178.300000113.3
35T90.4Very high94.9Very high52 Ų5242.7 Ų42.732%0.31923%0.228SC..SBendtrans-103.6-31-167.355.40000114.6C135 D136 Y137T35-C135 WeakPolarHBondContact O-CB 3.26Å; T35-D136 PolarHBondContact O-N 3.39Å; T35-Y137 HydrophobicContact CG2-CD2 4.29Å; T35-Y137 HydrophobicContact CG2-CE2 4.08Å; T35-Y137 PolarHBondContact O-N 2.81Å
36Q95.7Very high94.6Very high10 Ų1048.8 Ų48.85%0.04726%0.26CS..SBendtrans-108.1168.2-178.7-69-171.758.600112.4K38 D71 E73Q36-K38 PolarHBondContact O-N 3.31Å; Q36-D71 PolarHBondContact NE2-O 3.13Å; Q36-E73 HydrophobicContact CB-CG 4.45Å
37L96.9Very high94.4Very high10 Ų1051 Ų515%0.05226%0.263CS..  trans-63.9122.1-176.6-176.263.1000111.7N30 L39 P53 F131 C135 I145N30-L37 WeakPolarHBondContact ND2-CD1 3.37Å; L37-L39 HydrophobicContact CD1-CD2 4.06Å; L37-P53 HydrophobicContact CD2-CG 4.13Å; L37-F131 HydrophobicContact CD2-CD2 4.18Å; L37-F131 HydrophobicContact CD2-CE2 3.84Å; L37-C135 PolarHBondContact N-SG 2.68Å; L37-C135 VanDerWaalsContact N-SG 3.42Å; L37-I145 HydrophobicContact CD2-CG1 3.8Å
38K97Very high94.4Very high31 Ų3149.6 Ų49.614%0.13526%0.261CS..  trans-143.7147.3164.469.4-161.5172.8-174.50110.6V31 A33 Q36 I50 F51 K52V31-K38 HydrophobicContact CB-CG 3.72Å; V31-K38 HydrophobicContact CG1-CD 4.44Å; V31-K38 HydrophobicContact CG1-CG 4.16Å; V31-K38 HydrophobicContact CG2-CG 4.28Å; V31-K38 PolarHBondContact N-O 2.98Å; A33-K38 WeakPolarHBondContact O-CE 3.22Å; A33-K38 PolarHBondContact O-NZ 3.28Å; Q36-K38 PolarHBondContact O-N 3.31Å; K38-I50 HydrophobicContact CB-CG2 4.04Å; K38-I50 HydrophobicContact CD-CG2 4.16Å; K38-I50 HydrophobicContact CG-CG2 4.23Å; K38-F51 WeakPolarHBondContact CA-O 3.48Å; K38-K52 HydrophobicContact CB-CG 4.06Å
39L97.7Very high94.4Very high0 Ų049.6 Ų49.60%026%0.261CS..EExtended strand (participates in β ladder)trans-114.5144-177.6-51.8-177.3000109.3V28 Y29 L37 L41 I50 F51 L107 L117 F131V28-L39 HydrophobicContact CG1-CB 4.08Å; V28-L39 HydrophobicContact CG1-CD1 3.97Å; V28-L39 HydrophobicContact CG1-CG 4.49Å; Y29-L39 CarbonylContact O-C 3.5Å; Y29-L39 VanDerWaalsContact O-CA 3.24Å; Y29-L39 WeakPolarHBondContact O-CA 3.36Å; L37-L39 HydrophobicContact CD1-CD2 4.06Å; L39-L41 HydrophobicContact CB-CD2 4.31Å; L39-I50 CarbonylContact O-C 3.51Å; L39-I50 WeakPolarHBondContact O-CA 3.49Å; L39-F51 HydrophobicContact CB-CB 4.32Å; L39-F51 HydrophobicContact CB-CD1 4.43Å; L39-F51 HydrophobicContact CD1-CD1 4.12Å; L39-F51 HydrophobicContact CG-CD1 4.41Å; L39-F51 PolarHBondContact N-O 2.77Å; L39-F51 PolarHBondContact O-N 2.95Å; L39-L107 HydrophobicContact CD1-CD1 4.2Å; L39-L107 HydrophobicContact CD1-CD2 4.29Å; L39-L117 HydrophobicContact CD1-CD2 4.25Å; L39-L117 HydrophobicContact CD2-CD1 3.97Å; L39-L117 HydrophobicContact CD2-CD2 3.92Å; L39-F131 HydrophobicContact CD1-CE2 3.95Å; L39-F131 HydrophobicContact CD1-CZ 4.45Å
40A97.4Very high94.4Very high17 Ų1747.9 Ų47.914%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-95118.2164.800000107.6V28 Y29 V31 A49 I50V28-A40 WeakPolarHBondContact CA-O 3.09Å; Y29-A40 PolarHBondContact N-O 2.89Å; Y29-A40 PolarHBondContact O-N 3.43Å; V31-A40 HydrophobicContact CG2-CB 3.72Å; A40-A49 WeakPolarHBondContact CA-O 3.19Å; A40-I50 HydrophobicContact CB-CD1 4.25Å
41L98Very high94.5Very high0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-93.4128.6171-50-170.5000107.8V25 V28 L39 F43 S48 A49 F51 V101 L107 L156V25-L41 HydrophobicContact CG1-CB 4.29Å; V25-L41 HydrophobicContact CG1-CD2 4.37Å; V25-L41 HydrophobicContact CG2-CB 4.49Å; V25-L41 HydrophobicContact CG2-CD1 4.01Å; V28-L41 HydrophobicContact CB-CD2 4.28Å; V28-L41 HydrophobicContact CG1-CD2 3.79Å; V28-L41 HydrophobicContact CG2-CD2 3.61Å; L39-L41 HydrophobicContact CB-CD2 4.31Å; L41-F43 HydrophobicContact CB-CE1 4.4Å; L41-F43 HydrophobicContact CB-CE2 4.08Å; L41-F43 HydrophobicContact CB-CZ 3.72Å; L41-F43 HydrophobicContact CD1-CZ 4.36Å; L41-S48 CarbonylContact O-C 3.49Å; L41-S48 WeakPolarHBondContact O-CA 3.44Å; L41-A49 PolarHBondContact N-O 3.5Å; L41-A49 PolarHBondContact O-N 3.23Å; L41-F51 HydrophobicContact CD1-CB 3.91Å; L41-F51 HydrophobicContact CD1-CD2 4.36Å; L41-F51 HydrophobicContact CD1-CG 4.23Å; L41-F51 HydrophobicContact CD2-CB 4.18Å; L41-F51 HydrophobicContact CG-CB 3.8Å; L41-V101 HydrophobicContact CD1-CG1 4.46Å; L41-L107 HydrophobicContact CD2-CD2 3.84Å; L41-L156 HydrophobicContact CB-CD1 4.41Å; L41-L156 HydrophobicContact CD1-CD1 3.63Å; L41-L156 HydrophobicContact CG-CD1 4.04Å
42V97.7Very high94.6Very high17 Ų1746.3 Ų46.310%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-108.4134.2177-173.20000108.8L26 E27 Y29 Y47L26-V42 PolarHBondContact N-O 3Å; E27-V42 HydrophobicContact CB-CB 4.09Å; E27-V42 HydrophobicContact CB-CG2 4.4Å; E27-V42 PolarHBondContact N-O 3.46Å; E27-V42 PolarHBondContact O-N 3.11Å; Y29-V42 HydrophobicContact CD2-CG2 3.93Å; Y29-V42 HydrophobicContact CE2-CG2 3.78Å; V42-Y47 WeakPolarHBondContact CA-O 3.48Å
43F97.2Very high95.1Very high2 Ų240.9 Ų40.91%0.00923%0.227CC..  trans-113.6-172.8-178.4-52.2-79.6000110L20 L23 P24 V25 L41 N46 Y47 A49 L156L20-F43 HydrophobicContact CD2-CE2 4.46Å; L23-F43 HydrophobicContact CB-CB 4.05Å; L23-F43 HydrophobicContact CB-CD1 3.5Å; L23-F43 HydrophobicContact CB-CE1 4.2Å; L23-F43 HydrophobicContact CB-CG 3.89Å; L23-F43 HydrophobicContact CD1-CB 3.92Å; L23-F43 HydrophobicContact CD1-CG 4.19Å; L23-F43 WeakPolarHBondContact O-CD1 3.5Å; L23-F43 WeakPolarHBondContact O-CE1 3.38Å; P24-F43 WeakPolarHBondContact O-CD1 3.42Å; V25-F43 HydrophobicContact CG2-CE1 3.85Å; L41-F43 HydrophobicContact CB-CE1 4.4Å; L41-F43 HydrophobicContact CB-CE2 4.08Å; L41-F43 HydrophobicContact CB-CZ 3.72Å; L41-F43 HydrophobicContact CD1-CZ 4.36Å; F43-N46 PolarHBondContact O-N 3.38Å; F43-Y47 PolarHBondContact N-O 2.95Å; F43-A49 HydrophobicContact CE2-CB 3.86Å; F43-L156 HydrophobicContact CZ-CD2 3.85Å
44E94.9Very high95.7Very high85 Ų8540 Ų4040%0.39721%0.213SC..G310 helixtrans-54.1154170.762.9-179.3-172.100112.3L23 L26 N46 Y47L23-E44 HydrophobicContact CD2-CG 3.93Å; L23-E44 WeakPolarHBondContact CD2-OE1 3.26Å; L26-E44 HydrophobicContact CD1-CB 4.4Å; E44-N46 PolarHBondContact O-N 3.3Å; E44-N46 VanDerWaalsContact O-N 3.14Å; E44-Y47 WeakPolarHBondContact O-CD2 3.36Å; E44-Y47 PolarHBondContact O-N 3.43Å
45H91.6Very high96.2Very high144 Ų14440.6 Ų40.667%0.66720%0.201SC*.G310 helixtrans59.119.8-176.4-50.4-62.4000115.2Y47H45-Y47 HydrophobicContact CB-CD1 4.49Å; H45-Y47 HydrophobicContact CB-CD2 4.07Å; H45-Y47 HydrophobicContact CB-CE1 4.2Å; H45-Y47 HydrophobicContact CB-CE2 3.76Å; H45-Y47 HydrophobicContact CB-CG 4.42Å; H45-Y47 AromaticContact CD2-CE2 3.92Å; H45-Y47 PolarHBondContact O-N 2.77Å
46N91.1Very high96.3Very high137 Ų13741 Ų4173%0.73320%0.199SC*.G310 helixtrans5822.1-174.6-66.6-10.9000113.6F43 E44F43-N46 PolarHBondContact O-N 3.38Å; E44-N46 PolarHBondContact O-N 3.3Å; E44-N46 VanDerWaalsContact O-N 3.14Å
47Y94Very high96.3Very high136 Ų13644.9 Ų44.953%0.53322%0.22SC..  trans-62.9142.1166.5-60-35.7000109.2V42 F43 E44 H45V42-Y47 WeakPolarHBondContact CA-O 3.48Å; F43-Y47 PolarHBondContact N-O 2.95Å; E44-Y47 WeakPolarHBondContact O-CD2 3.36Å; E44-Y47 PolarHBondContact O-N 3.43Å; H45-Y47 HydrophobicContact CB-CD1 4.49Å; H45-Y47 HydrophobicContact CB-CD2 4.07Å; H45-Y47 HydrophobicContact CB-CE1 4.2Å; H45-Y47 HydrophobicContact CB-CE2 3.76Å; H45-Y47 HydrophobicContact CB-CG 4.42Å; H45-Y47 AromaticContact CD2-CE2 3.92Å; H45-Y47 PolarHBondContact O-N 2.77Å
48S96.3Very high96.3Very high42 Ų4245.9 Ų45.929%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-134.6157-179.765.90000112.1L41 S159L41-S48 CarbonylContact O-C 3.49Å; L41-S48 WeakPolarHBondContact O-CA 3.44Å; S48-S159 WeakPolarHBondContact O-CB 3.39Å; S48-S159 PolarHBondContact O-N 3.19Å; S48-S159 PolarHBondContact O-OG 3.03Å; S48-S159 WeakPolarHBondContact OG-CB 3.44Å; S48-S159 PolarHBondContact OG-OG 3.45Å
49A98.1Very high96.3Very high0 Ų050.2 Ų50.20%024%0.244CC..EExtended strand (participates in β ladder)trans-144.9149.4174.400000110.8L20 A40 L41 F43 L156 Q157 S159L20-A49 HydrophobicContact CD2-CB 3.54Å; A40-A49 WeakPolarHBondContact CA-O 3.19Å; L41-A49 PolarHBondContact N-O 3.5Å; L41-A49 PolarHBondContact O-N 3.23Å; F43-A49 HydrophobicContact CE2-CB 3.86Å; A49-L156 HydrophobicContact CB-CD1 3.5Å; A49-L156 VanDerWaalsContact CB-CD1 3.5Å; A49-L156 HydrophobicContact CB-CD2 4.35Å; A49-L156 HydrophobicContact CB-CG 3.66Å; A49-Q157 CarbonylContact C-O 3.58Å; A49-Q157 WeakPolarHBondContact CA-O 3.35Å; A49-Q157 WeakPolarHBondContact CB-O 3.31Å; A49-S159 PolarHBondContact N-OG 2.96Å
50I97.9Very high96.3Very high39 Ų3956.5 Ų56.520%0.227%0.268CS..EExtended strand (participates in β ladder)trans-88119.7176.4-55.2-57.6000109.2V31 K38 L39 A40 L156 Q157V31-I50 HydrophobicContact CG2-CD1 4.19Å; K38-I50 HydrophobicContact CB-CG2 4.04Å; K38-I50 HydrophobicContact CD-CG2 4.16Å; K38-I50 HydrophobicContact CG-CG2 4.23Å; L39-I50 CarbonylContact O-C 3.51Å; L39-I50 WeakPolarHBondContact O-CA 3.49Å; A40-I50 HydrophobicContact CB-CD1 4.25Å; I50-L156 WeakPolarHBondContact O-CA 3.39Å; I50-Q157 PolarHBondContact N-O 3.18Å; I50-Q157 PolarHBondContact O-N 3.32Å
51F98.3Very high96.4Very high0 Ų057.6 Ų57.60%027%0.27CS..EExtended strand (participates in β ladder)trans-98.9120.8174.7179.7-103.1000110.8K38 L39 L41 P53 V101 I152 G154 S155 L156K38-F51 WeakPolarHBondContact CA-O 3.48Å; L39-F51 HydrophobicContact CB-CB 4.32Å; L39-F51 HydrophobicContact CB-CD1 4.43Å; L39-F51 HydrophobicContact CD1-CD1 4.12Å; L39-F51 HydrophobicContact CG-CD1 4.41Å; L39-F51 PolarHBondContact N-O 2.77Å; L39-F51 PolarHBondContact O-N 2.95Å; L41-F51 HydrophobicContact CD1-CB 3.91Å; L41-F51 HydrophobicContact CD1-CD2 4.36Å; L41-F51 HydrophobicContact CD1-CG 4.23Å; L41-F51 HydrophobicContact CD2-CB 4.18Å; L41-F51 HydrophobicContact CG-CB 3.8Å; F51-P53 HydrophobicContact CE1-CB 3.81Å; F51-P53 HydrophobicContact CZ-CB 4.27Å; F51-V101 HydrophobicContact CE1-CG2 4.01Å; F51-V101 HydrophobicContact CE2-CG1 4.04Å; F51-V101 HydrophobicContact CE2-CG2 3.94Å; F51-V101 HydrophobicContact CZ-CG1 4.42Å; F51-V101 HydrophobicContact CZ-CG2 3.47Å; F51-V101 VanDerWaalsContact CZ-CG2 3.47Å; F51-I152 HydrophobicContact CZ-CG2 4.41Å; F51-G154 VanDerWaalsContact CE2-CA 3.43Å; F51-S155 CarbonylContact C-O 3.49Å; F51-S155 VanDerWaalsContact CA-O 3.24Å; F51-S155 WeakPolarHBondContact CA-O 3.49Å; F51-L156 HydrophobicContact CB-CD1 3.92Å; F51-L156 HydrophobicContact CD2-CD1 4.38Å
52K98.3Very high96.3Very high13 Ų1358.8 Ų58.86%0.05728%0.277CS..EExtended strand (participates in β ladder)trans-110.2118.1168.5-60.5-171.5179.5-176.20108.7K38 E73 H75 E78 G154 S155 D249K38-K52 HydrophobicContact CB-CG 4.06Å; K52-E73 WeakPolarHBondContact CD-OE2 3.43Å; K52-E73 WeakPolarHBondContact CE-OE2 3.42Å; K52-E73 VanDerWaalsContact NZ-CD 3.32Å; K52-E73 IonicContact NZ-OE1 2.69Å; K52-E73 PolarHBondContact NZ-OE1 3.33Å; K52-E73 IonicContact NZ-OE2 3.34Å; K52-E73 PolarHBondContact NZ-OE2 3.17Å; K52-E73 VanDerWaalsContact NZ-OE2 3.17Å; K52-H75 WeakPolarHBondContact O-CB 3.46Å; K52-E78 HydrophobicContact CD-CG 4.11Å; K52-E78 IonicContact NZ-OE1 2.72Å; K52-E78 PolarHBondContact NZ-OE1 3.17Å; K52-G154 CarbonylContact O-C 3.5Å; K52-G154 WeakPolarHBondContact O-CA 3.21Å; K52-S155 PolarHBondContact N-O 2.88Å; K52-S155 PolarHBondContact O-N 2.68Å; K52-D249 IonicContact NZ-OD1 2.75Å
53P98.2Very high96.3Very high10 Ų1060.5 Ų60.57%0.06529%0.286CS..EExtended strand (participates in β ladder)trans-74.9153.1-174.927.2-32.1000113L37 F51 R55 F131 I145L37-P53 HydrophobicContact CD2-CG 4.13Å; F51-P53 HydrophobicContact CE1-CB 3.81Å; F51-P53 HydrophobicContact CZ-CB 4.27Å; P53-R55 PolarHBondContact O-N 3.43Å; P53-F131 HydrophobicContact CB-CZ 4.45Å; P53-I145 HydrophobicContact CB-CB 4.5Å; P53-I145 HydrophobicContact CB-CD1 4.34Å; P53-I145 HydrophobicContact CB-CG1 4.15Å; P53-I145 HydrophobicContact CB-CG2 3.66Å; P53-I145 HydrophobicContact CG-CD1 4.04Å; P53-I145 HydrophobicContact CG-CG1 3.75Å; P53-I145 HydrophobicContact CG-CG2 4.21Å
54M98.1Very high96.2Very high51 Ų5166.1 Ų66.125%0.25132%0.322SS..  trans-64.1129.9168.2-178.8172.8179.100110.8H56 H75 I152 E153M54-H56 VanDerWaalsContact CE-O 3.25Å; M54-H56 WeakPolarHBondContact CE-O 3.06Å; M54-H75 WeakPolarHBondContact CA-ND1 3.41Å; M54-H75 WeakPolarHBondContact CB-CE1 3.41Å; M54-H75 VanDerWaalsContact CG-CE1 3.43Å; M54-H75 WeakPolarHBondContact CG-CE1 3.45Å; M54-I152 HydrophobicContact CB-CD1 4.15Å; M54-E153 HydrophobicContact CB-CB 4.21Å; M54-E153 WeakPolarHBondContact CB-O 3.44Å; M54-E153 PolarHBondContact N-O 3.32Å; M54-E153 HydrophobicContact SD-CB 4.07Å
55R94.7Very high96.3Very high56 Ų5668.6 Ų68.621%0.21134%0.338CS..  trans-113.5-40173.8-172.5180-77.5-81.98.6112.9P53 Y138 H143 I145P53-R55 PolarHBondContact O-N 3.43Å; R55-Y138 PolarHBondContact NH2-O 3.22Å; R55-H143 PolarHBondContact NH1-O 3.32Å; R55-H143 PolarHBondContact NH2-O 3.49Å; R55-I145 HydrophobicContact CB-CD1 4.28Å; R55-I145 HydrophobicContact CG-CD1 4.41Å
56H93.2Very high96.4Very high61 Ų6165.3 Ų65.328%0.28232%0.323SS..SBendtrans-127.1155.1-176.3-61.4-51.5000111.1M54 R60 Y72M54-H56 VanDerWaalsContact CE-O 3.25Å; M54-H56 WeakPolarHBondContact CE-O 3.06Å; H56-R60 HydrophobicContact CB-CB 3.84Å; H56-R60 HydrophobicContact CB-CG 3.92Å; H56-Y72 AromaticContact NE2-CD2 3.43Å; H56-Y72 WeakPolarHBondContact NE2-CD2 3.33Å; H56-Y72 AromaticContact NE2-CG 3.79Å
57D95Very high96.6Very high92 Ų9261.4 Ų61.449%0.49230%0.3SS..  trans-66.7168.41716861.8000111.8Q59 R60D57-Q59 PolarHBondContact O-N 3.05Å; D57-Q59 VanDerWaalsContact OD1-CA 3.26Å; D57-Q59 WeakPolarHBondContact OD1-CA 3.38Å; D57-Q59 VanDerWaalsContact OD1-CB 3.28Å; D57-Q59 WeakPolarHBondContact OD1-CB 3.36Å; D57-Q59 PolarHBondContact OD1-N 3.29Å; D57-R60 PolarHBondContact O-N 3.36Å; D57-R60 PolarHBondContact OD1-N 3.37Å
58R97.6Very high96.5Very high30 Ų3055.9 Ų55.911%0.11328%0.278CS..THydrogen-bonded Turntrans-69.2-16.3-178.2-57.6-53.6-165.9-85.2-12.9114.5H75 N76 E153 A305 P307 V308 A310R58-H75 PolarHBondContact NH1-CE1 3.49Å; R58-N76 VanDerWaalsContact CD-ND2 3.25Å; R58-N76 WeakPolarHBondContact CD-ND2 3.26Å; R58-E153 IonicContact CZ-OE1 2.73Å; R58-E153 IonicContact NH1-OE1 3.94Å; R58-E153 PolarHBondContact NH1-OE1 2.84Å; R58-E153 VanDerWaalsContact NH1-OE1 3.12Å; R58-E153 IonicContact NH2-OE1 3.56Å; R58-E153 PolarHBondContact NH2-OE1 3.11Å; R58-A305 PolarHBondContact NH2-O 2.81Å; R58-P307 PolarHBondContact NE-O 2.96Å; R58-V308 WeakPolarHBondContact CD-O 3.05Å; R58-V308 PolarHBondContact NE-O 2.93Å; R58-A310 HydrophobicContact CB-CB 4.26Å; R58-A310 WeakPolarHBondContact O-CB 3.2Å
59Q97.9Very high96.4Very high123 Ų12355 Ų5558%0.57527%0.269SS*.THydrogen-bonded Turntrans-90-17.7-178.7-57.3-60.1-25.400112.2D57 E61 K312D57-Q59 PolarHBondContact O-N 3.05Å; D57-Q59 VanDerWaalsContact OD1-CA 3.26Å; D57-Q59 WeakPolarHBondContact OD1-CA 3.38Å; D57-Q59 VanDerWaalsContact OD1-CB 3.28Å; D57-Q59 WeakPolarHBondContact OD1-CB 3.36Å; D57-Q59 PolarHBondContact OD1-N 3.29Å; Q59-E61 PolarHBondContact O-N 3.48Å; Q59-K312 PolarHBondContact O-NZ 2.79Å
60R97.8Very high96.2Very high132 Ų13256.6 Ų56.650%0.49828%0.279SS..PPolyproline II helixtrans-65.4122.2178.5-174.365.4176.7176.64.1111.4H56 D57H56-R60 HydrophobicContact CB-CB 3.84Å; H56-R60 HydrophobicContact CB-CG 3.92Å; D57-R60 PolarHBondContact O-N 3.36Å; D57-R60 PolarHBondContact OD1-N 3.37Å
61E97.7Very high96.1Very high40 Ų4055.4 Ų55.419%0.18727%0.273CS..PPolyproline II helixtrans-92.2155.9166.1-55.3-77.7-170.200110Q59 G255 N256 S257 K312 H313Q59-E61 PolarHBondContact O-N 3.48Å; E61-G255 CarbonylContact C-O 3.37Å; E61-G255 WeakPolarHBondContact CA-O 3.38Å; E61-N256 WeakPolarHBondContact OE2-CA 3.4Å; E61-N256 PolarHBondContact OE2-N 2.92Å; E61-S257 WeakPolarHBondContact OE1-CB 3.14Å; E61-S257 PolarHBondContact OE1-N 2.84Å; E61-S257 PolarHBondContact OE1-OG 3.37Å; E61-S257 PolarHBondContact OE2-N 3Å; E61-K312 VanDerWaalsContact CG-NZ 3.32Å; E61-K312 WeakPolarHBondContact OE1-CD 3.33Å; E61-K312 WeakPolarHBondContact OE1-CE 3.19Å; E61-K312 IonicContact OE1-NZ 3.69Å; E61-K312 PolarHBondContact OE1-NZ 2.77Å; E61-H313 IonicContact OE2-CE1 2.79Å; E61-H313 PolarHBondContact OE2-CE1 3.37Å; E61-H313 IonicContact OE2-NE2 3.44Å
62T97.3Very high96Very high24 Ų2456.9 Ų56.915%0.14728%0.278CS..PPolyproline II helixtrans-56.9136.6166.2-57.50000109.7H66 D71 R74 G255T62-H66 HydrophobicContact CG2-CB 4.06Å; T62-D71 HydrophobicContact CG2-CB 4.26Å; T62-D71 VanDerWaalsContact CG2-CG 3.46Å; T62-D71 WeakPolarHBondContact CG2-OD1 3.44Å; T62-D71 VanDerWaalsContact OG1-CG 3.3Å; T62-D71 PolarHBondContact OG1-OD1 3.23Å; T62-D71 PolarHBondContact OG1-OD2 3.42Å; T62-R74 PolarHBondContact OG1-NH1 3.39Å; T62-R74 VanDerWaalsContact OG1-NH1 3.14Å; T62-G255 WeakPolarHBondContact CB-O 3.38Å; T62-G255 PolarHBondContact N-O 2.79Å; T62-G255 VanDerWaalsContact OG1-CA 3.29Å; T62-G255 WeakPolarHBondContact OG1-CA 3.32Å; T62-G255 PolarHBondContact OG1-O 3.46Å
63D96.5Very high95.9Very high54 Ų5457.9 Ų57.929%0.28928%0.284SS..PPolyproline II helixtrans-61.5129.1173.6-168.8-55.2000109.1N65 H66D63-N65 PolarHBondContact O-N 2.95Å; D63-N65 WeakPolarHBondContact OD1-CB 3.38Å; D63-N65 PolarHBondContact OD1-N 3.01Å; D63-N65 PolarHBondContact OD1-ND2 3.28Å; D63-H66 HydrophobicContact CB-CB 4.32Å; D63-H66 WeakPolarHBondContact O-CB 3.42Å; D63-H66 PolarHBondContact O-N 3.44Å
64P96Very high95.9Very high119 Ų11958.4 Ų58.477%0.77328%0.284SS*.THydrogen-bonded Turntrans-57.6-19.1179.2-2635000114.7
65N96.2Very high95.9Very high137 Ų13756.1 Ų56.173%0.73327%0.273SS*.THydrogen-bonded Turntrans-91.1-5.9176.7-53.3-72.8000113.4D63D63-N65 PolarHBondContact O-N 2.95Å; D63-N65 WeakPolarHBondContact OD1-CB 3.38Å; D63-N65 PolarHBondContact OD1-N 3.01Å; D63-N65 PolarHBondContact OD1-ND2 3.28Å
66H94.9Very high96.1Very high76 Ų7653.9 Ų53.935%0.35227%0.265SS..  trans-79.1132.9174.9-75-174.6000110.5T62 D63T62-H66 HydrophobicContact CG2-CB 4.06Å; D63-H66 HydrophobicContact CB-CB 4.32Å; D63-H66 WeakPolarHBondContact O-CB 3.42Å; D63-H66 PolarHBondContact O-N 3.44Å
67F94.2Very high96.4Very high55 Ų5551 Ų5124%0.24125%0.251CS..  trans-73.4153.4166.7-65.7-82.1000110.2F69 T70 D71 V181 Q184F67-F69 HydrophobicContact CB-CD1 3.74Å; F67-F69 HydrophobicContact CB-CD2 4.33Å; F67-F69 HydrophobicContact CB-CE1 3.38Å; F67-F69 HydrophobicContact CB-CE2 4Å; F67-F69 HydrophobicContact CB-CG 4.21Å; F67-F69 HydrophobicContact CB-CZ 3.51Å; F67-F69 AromaticContact CD1-CE1 3.97Å; F67-F69 HydrophobicContact CD1-CE1 3.97Å; F67-F69 HydrophobicContact CD1-CZ 4.21Å; F67-F69 HydrophobicContact CD2-CE1 4.35Å; F67-F69 HydrophobicContact CD2-CE2 4.41Å; F67-F69 AromaticContact CD2-CZ 3.8Å; F67-F69 HydrophobicContact CD2-CZ 3.8Å; F67-F69 HydrophobicContact CG-CD1 4.48Å; F67-F69 AromaticContact CG-CE1 3.65Å; F67-F69 HydrophobicContact CG-CE1 3.65Å; F67-F69 HydrophobicContact CG-CE2 4.37Å; F67-F69 AromaticContact CG-CZ 3.57Å; F67-F69 HydrophobicContact CG-CZ 3.57Å; F67-F69 PolarHBondContact O-N 3.48Å; F67-F69 VanDerWaalsContact O-N 3.11Å; F67-T70 PolarHBondContact N-OG1 3.27Å; F67-T70 VanDerWaalsContact N-OG1 3.07Å; F67-T70 PolarHBondContact O-N 3.23Å; F67-T70 PolarHBondContact O-OG1 2.06Å; F67-D71 PolarHBondContact O-N 3.47Å; F67-D71 VanDerWaalsContact O-N 3.13Å; F67-V181 HydrophobicContact CD2-CG1 4.08Å; F67-V181 HydrophobicContact CE2-CB 4.19Å; F67-V181 HydrophobicContact CE2-CG1 3.73Å; F67-V181 HydrophobicContact CZ-CB 4.3Å; F67-V181 HydrophobicContact CZ-CG1 4.28Å; F67-Q184 HydrophobicContact CE1-CG 4.19Å
68Y93.6Very high96.6Very high20 Ų2046.7 Ų46.78%0.07823%0.228CC..THydrogen-bonded Turntrans-50.2-3617447.9-88.2000113.2T70 D71 R177 T178 Y179 Q227 R252Y68-T70 VanDerWaalsContact C-N 3.32Å; Y68-T70 PolarHBondContact O-N 3.47Å; Y68-D71 PolarHBondContact O-N 3.39Å; Y68-R177 HydrophobicContact CD2-CB 4.49Å; Y68-R177 HydrophobicContact CE1-CB 4.3Å; Y68-R177 VanDerWaalsContact CE1-CD 3.5Å; Y68-R177 HydrophobicContact CE1-CG 4.46Å; Y68-R177 HydrophobicContact CE2-CB 3.6Å; Y68-R177 HydrophobicContact CE2-CG 4.27Å; Y68-R177 WeakPolarHBondContact OH-CB 3.45Å; Y68-T178 PolarHBondContact OH-N 3.07Å; Y68-T178 PolarHBondContact OH-OG1 2.93Å; Y68-Y179 HydrophobicContact CD2-CE1 4.19Å; Y68-Y179 HydrophobicContact CE2-CD1 4.16Å; Y68-Y179 HydrophobicContact CE2-CD2 4.1Å; Y68-Y179 HydrophobicContact CE2-CE1 4.06Å; Y68-Y179 AromaticContact CE2-CE2 4Å; Y68-Y179 HydrophobicContact CE2-CE2 4Å; Y68-Y179 HydrophobicContact CE2-CG 4.13Å; Y68-Y179 AromaticContact CE2-CZ 3.93Å; Y68-Y179 PolarHBondContact OH-N 2.97Å; Y68-Q227 HydrophobicContact CG-CB 4.23Å; Y68-R252 WeakPolarHBondContact O-CD 3.46Å; Y68-R252 PolarHBondContact O-NE 3.48Å; Y68-R252 VanDerWaalsContact O-NE 3.12Å; Y68-R252 PolarHBondContact O-NH1 3.27Å
69F93.3Very high96.6Very high22 Ų2245.2 Ų45.210%0.09622%0.223CC..THydrogen-bonded Turntrans-78.6-10.8178.960.1-99.4000115F67 Y179 V181 R252F67-F69 HydrophobicContact CB-CD1 3.74Å; F67-F69 HydrophobicContact CB-CD2 4.33Å; F67-F69 HydrophobicContact CB-CE1 3.38Å; F67-F69 HydrophobicContact CB-CE2 4Å; F67-F69 HydrophobicContact CB-CG 4.21Å; F67-F69 HydrophobicContact CB-CZ 3.51Å; F67-F69 AromaticContact CD1-CE1 3.97Å; F67-F69 HydrophobicContact CD1-CE1 3.97Å; F67-F69 HydrophobicContact CD1-CZ 4.21Å; F67-F69 HydrophobicContact CD2-CE1 4.35Å; F67-F69 HydrophobicContact CD2-CE2 4.41Å; F67-F69 AromaticContact CD2-CZ 3.8Å; F67-F69 HydrophobicContact CD2-CZ 3.8Å; F67-F69 HydrophobicContact CG-CD1 4.48Å; F67-F69 AromaticContact CG-CE1 3.65Å; F67-F69 HydrophobicContact CG-CE1 3.65Å; F67-F69 HydrophobicContact CG-CE2 4.37Å; F67-F69 AromaticContact CG-CZ 3.57Å; F67-F69 HydrophobicContact CG-CZ 3.57Å; F67-F69 PolarHBondContact O-N 3.48Å; F67-F69 VanDerWaalsContact O-N 3.11Å; F69-Y179 HydrophobicContact CB-CD1 3.49Å; F69-Y179 VanDerWaalsContact CB-CD1 3.49Å; F69-Y179 HydrophobicContact CB-CE1 3.82Å; F69-Y179 HydrophobicContact CB-CG 4.48Å; F69-Y179 HydrophobicContact CD1-CD1 4.3Å; F69-Y179 HydrophobicContact CG-CD1 4.18Å; F69-V181 HydrophobicContact CE2-CG1 4.29Å; F69-V181 HydrophobicContact CZ-CG1 3.76Å; F69-R252 PolarHBondContact O-NH2 2.93Å
70T93.1Very high96.7Very high35 Ų3539.4 Ų39.422%0.21520%0.196CC..THydrogen-bonded Turntrans-103.9-9.4173.452.90000113F67 Y68 Y72 Y138F67-T70 PolarHBondContact N-OG1 3.27Å; F67-T70 VanDerWaalsContact N-OG1 3.07Å; F67-T70 PolarHBondContact O-N 3.23Å; F67-T70 PolarHBondContact O-OG1 2.06Å; Y68-T70 VanDerWaalsContact C-N 3.32Å; Y68-T70 PolarHBondContact O-N 3.47Å; T70-Y72 PolarHBondContact O-N 2.87Å; T70-Y138 PolarHBondContact O-OH 2.88Å
71D95.6Very high96.7Very high13 Ų1333.1 Ų33.17%0.0717%0.172CC..PPolyproline II helixtrans-65.1139.5-177.3-164.115.6000111.2Q36 T62 F67 Y68 R74 R252Q36-D71 PolarHBondContact NE2-O 3.13Å; T62-D71 HydrophobicContact CG2-CB 4.26Å; T62-D71 VanDerWaalsContact CG2-CG 3.46Å; T62-D71 WeakPolarHBondContact CG2-OD1 3.44Å; T62-D71 VanDerWaalsContact OG1-CG 3.3Å; T62-D71 PolarHBondContact OG1-OD1 3.23Å; T62-D71 PolarHBondContact OG1-OD2 3.42Å; F67-D71 PolarHBondContact O-N 3.47Å; F67-D71 VanDerWaalsContact O-N 3.13Å; Y68-D71 PolarHBondContact O-N 3.39Å; D71-R74 IonicContact OD1-NH1 3.33Å; D71-R74 PolarHBondContact OD1-NH1 2.97Å; D71-R74 IonicContact OD2-CZ 3.06Å; D71-R74 IonicContact OD2-NH1 3.75Å; D71-R74 PolarHBondContact OD2-NH1 3.44Å; D71-R74 IonicContact OD2-NH2 3.64Å; D71-R74 PolarHBondContact OD2-NH2 3.37Å; D71-R252 HydrophobicContact CB-CG 4.5Å; D71-R252 PolarHBondContact O-NE 2.94Å; D71-R252 VanDerWaalsContact O-NE 3.11Å; D71-R252 PolarHBondContact O-NH2 3.49Å
72Y96.5Very high96.8Very high31 Ų3131.2 Ų31.212%0.12216%0.163CC..PPolyproline II helixtrans-69.7134.2177.1-75.2-70.2000109.7H56 T70 R74 Y138 H143H56-Y72 AromaticContact NE2-CD2 3.43Å; H56-Y72 WeakPolarHBondContact NE2-CD2 3.33Å; H56-Y72 AromaticContact NE2-CG 3.79Å; T70-Y72 PolarHBondContact O-N 2.87Å; Y72-R74 PolarHBondContact O-NH1 2.96Å; Y72-Y138 AromaticContact CD1-CD2 3.6Å; Y72-Y138 HydrophobicContact CD1-CD2 3.6Å; Y72-Y138 AromaticContact CD1-CE2 3.92Å; Y72-Y138 HydrophobicContact CD1-CE2 3.92Å; Y72-Y138 HydrophobicContact CD1-CG 4.13Å; Y72-Y138 AromaticContact CE1-CD1 3.76Å; Y72-Y138 HydrophobicContact CE1-CD1 3.76Å; Y72-Y138 AromaticContact CE1-CD2 3.2Å; Y72-Y138 HydrophobicContact CE1-CD2 3.2Å; Y72-Y138 HydrophobicContact CE1-CE1 4.13Å; Y72-Y138 AromaticContact CE1-CE2 3.63Å; Y72-Y138 HydrophobicContact CE1-CE2 3.63Å; Y72-Y138 AromaticContact CE1-CG 3.28Å; Y72-Y138 HydrophobicContact CE1-CG 3.28Å; Y72-Y138 AromaticContact CZ-CD1 3.88Å; Y72-Y138 AromaticContact CZ-CE1 3.96Å; Y72-Y138 AromaticContact CZ-CG 3.91Å; Y72-Y138 WeakPolarHBondContact OH-CD1 3.39Å; Y72-H143 PolarHBondContact OH-CD2 2.7Å; Y72-H143 PolarHBondContact OH-NE2 3.37Å
73E97.3Very high96.8Very high35 Ų3530.8 Ų30.816%0.16416%0.16CC..PPolyproline II helixtrans-65.3143169.5-68.8-162.6127.200110.9Q36 K52 G251 R252Q36-E73 HydrophobicContact CB-CG 4.45Å; K52-E73 WeakPolarHBondContact CD-OE2 3.43Å; K52-E73 WeakPolarHBondContact CE-OE2 3.42Å; K52-E73 VanDerWaalsContact NZ-CD 3.32Å; K52-E73 IonicContact NZ-OE1 2.69Å; K52-E73 PolarHBondContact NZ-OE1 3.33Å; K52-E73 IonicContact NZ-OE2 3.34Å; K52-E73 PolarHBondContact NZ-OE2 3.17Å; K52-E73 VanDerWaalsContact NZ-OE2 3.17Å; E73-G251 CarbonylContact C-O 3.54Å; E73-G251 WeakPolarHBondContact CA-O 3.38Å; E73-R252 HydrophobicContact CG-CG 4.48Å
74R98Very high96.9Very high21 Ų2128.2 Ų28.28%0.07915%0.146CC..  trans-114.7115.9179-74.1171.4-77.3-82.3-1.1108.3T62 D71 Y72 N76 A77 G251 R252 G253T62-R74 PolarHBondContact OG1-NH1 3.39Å; T62-R74 VanDerWaalsContact OG1-NH1 3.14Å; D71-R74 IonicContact OD1-NH1 3.33Å; D71-R74 PolarHBondContact OD1-NH1 2.97Å; D71-R74 IonicContact OD2-CZ 3.06Å; D71-R74 IonicContact OD2-NH1 3.75Å; D71-R74 PolarHBondContact OD2-NH1 3.44Å; D71-R74 IonicContact OD2-NH2 3.64Å; D71-R74 PolarHBondContact OD2-NH2 3.37Å; Y72-R74 PolarHBondContact O-NH1 2.96Å; R74-N76 WeakPolarHBondContact CB-OD1 3.29Å; R74-N76 PolarHBondContact O-N 2.86Å; R74-A77 HydrophobicContact CB-CB 3.91Å; R74-A77 VanDerWaalsContact O-CB 3.32Å; R74-A77 WeakPolarHBondContact O-CB 3.24Å; R74-A77 PolarHBondContact O-N 3.02Å; R74-G251 PolarHBondContact N-O 3.31Å; R74-R252 PolarHBondContact NH2-O 3.43Å; R74-G253 PolarHBondContact NE-O 3.31Å; R74-G253 PolarHBondContact NH2-O 2.68Å
75H98.4Very high97.1Very high2 Ų222.6 Ų22.61%0.00911%0.109CC..Hα-helixtrans-59.7-37.7179.576.3-70.4000112K52 M54 R58 A77 E78 I79 E153 G154 S155K52-H75 WeakPolarHBondContact O-CB 3.46Å; M54-H75 WeakPolarHBondContact CA-ND1 3.41Å; M54-H75 WeakPolarHBondContact CB-CE1 3.41Å; M54-H75 VanDerWaalsContact CG-CE1 3.43Å; M54-H75 WeakPolarHBondContact CG-CE1 3.45Å; R58-H75 PolarHBondContact NH1-CE1 3.49Å; H75-A77 PolarHBondContact O-N 3.18Å; H75-E78 WeakPolarHBondContact O-CB 3.41Å; H75-E78 PolarHBondContact O-N 3.03Å; H75-E78 VanDerWaalsContact O-N 3.14Å; H75-I79 PolarHBondContact O-N 3.44Å; H75-E153 IonicContact CD2-OE1 2.97Å; H75-E153 IonicContact CE1-OE1 3.86Å; H75-E153 PolarHBondContact CE1-OE1 3.41Å; H75-E153 IonicContact NE2-OE1 3.7Å; H75-E153 PolarHBondContact NE2-OE1 3.21Å; H75-G154 VanDerWaalsContact CD2-C 3.42Å; H75-G154 VanDerWaalsContact CD2-CA 3.49Å; H75-G154 WeakPolarHBondContact CD2-CA 3.38Å; H75-S155 VanDerWaalsContact O-CB 3.27Å; H75-S155 WeakPolarHBondContact O-CB 3.42Å
76N98.5Very high97.1Very high9 Ų917.8 Ų17.85%0.0488%0.081CC..Hα-helixtrans-67.6-22.2178.864.8-60.8000113R58 R74 A80 V308R58-N76 VanDerWaalsContact CD-ND2 3.25Å; R58-N76 WeakPolarHBondContact CD-ND2 3.26Å; R74-N76 WeakPolarHBondContact CB-OD1 3.29Å; R74-N76 PolarHBondContact O-N 2.86Å; N76-A80 VanDerWaalsContact O-CB 3.31Å; N76-A80 WeakPolarHBondContact O-CB 3.48Å; N76-A80 PolarHBondContact O-N 3.27Å; N76-V308 HydrophobicContact CB-CG1 4.16Å; N76-V308 WeakPolarHBondContact CB-O 3.38Å; N76-V308 PolarHBondContact ND2-O 3Å; N76-V308 VanDerWaalsContact ND2-O 3.08Å; N76-V308 WeakPolarHBondContact O-CG1 3.33Å
77A98.7Very high97.3Very high0 Ų015.8 Ų15.80%07%0.072CC..Hα-helixtrans-69-37.8172.200000111.7R74 H75 A80 A81 N250 G253 F254R74-A77 HydrophobicContact CB-CB 3.91Å; R74-A77 VanDerWaalsContact O-CB 3.32Å; R74-A77 WeakPolarHBondContact O-CB 3.24Å; R74-A77 PolarHBondContact O-N 3.02Å; H75-A77 PolarHBondContact O-N 3.18Å; A77-A80 PolarHBondContact O-N 3.22Å; A77-A81 WeakPolarHBondContact O-CB 3.5Å; A77-A81 PolarHBondContact O-N 3.49Å; A77-N250 WeakPolarHBondContact CB-O 3.32Å; A77-G253 WeakPolarHBondContact CB-O 3.44Å; A77-F254 HydrophobicContact CB-CD2 3.96Å
78E98.7Very high97.5Very high2 Ų213.5 Ų13.51%0.0096%0.062CC..Hα-helixtrans-63.8-42.3174.6-63.4-71.9-173.600111.9K52 H75 F82 T96 N250 G251K52-E78 HydrophobicContact CD-CG 4.11Å; K52-E78 IonicContact NZ-OE1 2.72Å; K52-E78 PolarHBondContact NZ-OE1 3.17Å; H75-E78 WeakPolarHBondContact O-CB 3.41Å; H75-E78 PolarHBondContact O-N 3.03Å; H75-E78 VanDerWaalsContact O-N 3.14Å; E78-F82 PolarHBondContact O-N 3.24Å; E78-F82 VanDerWaalsContact O-N 3.14Å; E78-T96 HydrophobicContact CB-CG2 4.04Å; E78-N250 PolarHBondContact OE1-N 3.28Å; E78-N250 VanDerWaalsContact OE1-N 3.12Å; E78-N250 WeakPolarHBondContact OE2-CB 3.41Å; E78-N250 PolarHBondContact OE2-N 3.14Å; E78-N250 VanDerWaalsContact OE2-N 3.09Å; E78-N250 PolarHBondContact OE2-ND2 3.46Å; E78-G251 VanDerWaalsContact CD-N 3.31Å; E78-G251 PolarHBondContact OE1-N 2.96Å
79I98.8Very high97.7Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-62.9-53.1176.7-57.7166.6000109.4H75 A81 F82 H83 T96 A305 V308H75-I79 PolarHBondContact O-N 3.44Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 2.82Å; I79-F82 PolarHBondContact O-N 3.06Å; I79-H83 PolarHBondContact O-CD2 3.1Å; I79-H83 VanDerWaalsContact O-CD2 3.3Å; I79-H83 PolarHBondContact O-N 3.3Å; I79-H83 VanDerWaalsContact O-N 3.16Å; I79-T96 HydrophobicContact CG1-CG2 4.02Å; I79-A305 HydrophobicContact CD1-CB 3.89Å; I79-V308 HydrophobicContact CB-CG1 3.9Å; I79-V308 HydrophobicContact CG2-CG1 3.83Å; I79-V308 HydrophobicContact CG2-CG2 4.12Å
80A98.8Very high97.9Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-61.4-39.1-17900000112.8N76 A77 H83 L84 F254 M300 V308 L309N76-A80 VanDerWaalsContact O-CB 3.31Å; N76-A80 WeakPolarHBondContact O-CB 3.48Å; N76-A80 PolarHBondContact O-N 3.27Å; A77-A80 PolarHBondContact O-N 3.22Å; A80-H83 PolarHBondContact O-N 2.95Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 2.58Å; A80-F254 HydrophobicContact CB-CD2 4.11Å; A80-F254 HydrophobicContact CB-CE2 3.53Å; A80-F254 HydrophobicContact CB-CZ 3.97Å; A80-M300 HydrophobicContact CB-SD 3.78Å; A80-V308 HydrophobicContact CB-CG1 4.15Å; A80-L309 HydrophobicContact CB-CD1 3.84Å; A80-L309 HydrophobicContact CB-CD2 3.83Å; A80-L309 HydrophobicContact CB-CG 3.79Å
81A98.8Very high98.1Very high0 Ų017.7 Ų17.70%08%0.082CC..Hα-helixtrans-60.3-44.9176.500000111.7A77 I79 H83 L84 D85 F220 N250A77-A81 WeakPolarHBondContact O-CB 3.5Å; A77-A81 PolarHBondContact O-N 3.49Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 2.82Å; A81-H83 PolarHBondContact O-N 2.88Å; A81-L84 PolarHBondContact O-N 2.9Å; A81-D85 VanDerWaalsContact O-CB 3.31Å; A81-D85 WeakPolarHBondContact O-CB 3.32Å; A81-D85 PolarHBondContact O-N 2.83Å; A81-F220 HydrophobicContact CB-CE1 4.42Å; A81-F220 HydrophobicContact CB-CZ 3.82Å; A81-F220 WeakPolarHBondContact O-CZ 3.38Å; A81-N250 HydrophobicContact CB-CB 3.37Å
82F98.7Very high98.2Very high1 Ų118 Ų180%0.0048%0.082CC..Hα-helixtrans-60.6-46.1175.6164.9-117.7000112.7Y7 V13 I17 E78 I79 D85 R86 A93 L94 P95 T96Y7-F82 HydrophobicContact CE1-CE2 4.05Å; V13-F82 HydrophobicContact CG1-CE2 4.48Å; V13-F82 HydrophobicContact CG1-CZ 3.7Å; I17-F82 HydrophobicContact CD1-CE1 3.88Å; I17-F82 HydrophobicContact CD1-CZ 4.41Å; I17-F82 HydrophobicContact CG1-CE1 4.48Å; E78-F82 PolarHBondContact O-N 3.24Å; E78-F82 VanDerWaalsContact O-N 3.14Å; I79-F82 PolarHBondContact O-N 3.06Å; F82-D85 PolarHBondContact O-N 3.16Å; F82-R86 WeakPolarHBondContact O-CB 3.28Å; F82-R86 PolarHBondContact O-N 3Å; F82-A93 HydrophobicContact CB-CB 4.4Å; F82-A93 HydrophobicContact CD2-CB 4.27Å; F82-L94 WeakPolarHBondContact CD2-O 3.23Å; F82-L94 WeakPolarHBondContact CG-O 3.41Å; F82-P95 HydrophobicContact CE2-CB 4.35Å; F82-P95 HydrophobicContact CE2-CG 4.32Å; F82-P95 HydrophobicContact CZ-CB 4.09Å; F82-P95 HydrophobicContact CZ-CG 4.38Å; F82-T96 VanDerWaalsContact CD1-O 3.3Å; F82-T96 WeakPolarHBondContact CD1-O 3.4Å
83H98.7Very high98.3Very high15 Ų1516.5 Ų16.57%0.0698%0.076CC..Hα-helixtrans-64.3-40.8177.3-79.6-91000111.9I79 A80 A81 R86 I87 L296 S299 M300I79-H83 PolarHBondContact O-CD2 3.1Å; I79-H83 VanDerWaalsContact O-CD2 3.3Å; I79-H83 PolarHBondContact O-N 3.3Å; I79-H83 VanDerWaalsContact O-N 3.16Å; A80-H83 PolarHBondContact O-N 2.95Å; A81-H83 PolarHBondContact O-N 2.88Å; H83-R86 WeakPolarHBondContact O-CB 3.33Å; H83-R86 PolarHBondContact O-N 3.19Å; H83-I87 WeakPolarHBondContact O-CG2 3.43Å; H83-I87 PolarHBondContact O-N 3.05Å; H83-L296 HydrophobicContact CB-CD1 3.7Å; H83-S299 PolarHBondContact CE1-O 3.22Å; H83-S299 PolarHBondContact ND1-O 3.08Å; H83-S299 PolarHBondContact ND1-OG 3.43Å; H83-M300 HydrophobicContact CB-CG 3.75Å; H83-M300 HydrophobicContact CB-SD 4.48Å
84L98.9Very high98.3Very high0 Ų015.3 Ų15.30%07%0.071CC..Hα-helixtrans-63.9-46177.2-179.660.4000111.9A80 A81 R86 I87 L88 F220 L223 T224 L292 L296 L317A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 2.58Å; A81-L84 PolarHBondContact O-N 2.9Å; L84-R86 VanDerWaalsContact C-N 3.27Å; L84-R86 PolarHBondContact O-N 2.76Å; L84-I87 HydrophobicContact CD1-CD1 4.13Å; L84-I87 HydrophobicContact CD1-CG1 4.28Å; L84-I87 WeakPolarHBondContact O-CG1 3.31Å; L84-I87 PolarHBondContact O-N 2.77Å; L84-L88 HydrophobicContact CD1-CD1 3.71Å; L84-L88 HydrophobicContact CD1-CG 3.99Å; L84-L88 HydrophobicContact CG-CD1 3.86Å; L84-L88 HydrophobicContact CG-CG 4.48Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 2.76Å; L84-F220 HydrophobicContact CB-CE2 4.05Å; L84-F220 HydrophobicContact CD2-CD2 4.16Å; L84-F220 HydrophobicContact CD2-CE2 3.89Å; L84-F220 HydrophobicContact CG-CD2 4.28Å; L84-F220 HydrophobicContact CG-CE2 3.89Å; L84-L223 HydrophobicContact CD2-CB 4.26Å; L84-T224 HydrophobicContact CD2-CG2 3.65Å; L84-L292 HydrophobicContact CD1-CD1 3.9Å; L84-L292 HydrophobicContact CD1-CD2 4.09Å; L84-L292 HydrophobicContact CD1-CG 4.26Å; L84-L296 HydrophobicContact CB-CD1 4.01Å; L84-L296 HydrophobicContact CB-CD2 4.45Å; L84-L296 HydrophobicContact CD1-CD2 4.47Å; L84-L317 HydrophobicContact CD1-CD1 4.46Å; L84-L317 HydrophobicContact CD1-CD2 4.28Å; L84-L317 HydrophobicContact CD2-CD1 4.14Å
85D98.8Very high98.3Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-57.6-41.5175.4174.3-87.5000111.8A81 F82 N89 F90 R91 R92 A93 F220 H247A81-D85 VanDerWaalsContact O-CB 3.31Å; A81-D85 WeakPolarHBondContact O-CB 3.32Å; A81-D85 PolarHBondContact O-N 2.83Å; F82-D85 PolarHBondContact O-N 3.16Å; D85-N89 PolarHBondContact O-N 2.92Å; D85-F90 PolarHBondContact O-N 3.22Å; D85-F90 WeakPolarHBondContact OD2-CB 3.4Å; D85-R91 WeakPolarHBondContact OD1-CA 3.31Å; D85-R91 PolarHBondContact OD1-N 2.97Å; D85-R92 PolarHBondContact OD1-N 3.3Å; D85-R92 PolarHBondContact OD2-N 3.26Å; D85-A93 HydrophobicContact CB-CB 3.55Å; D85-A93 PolarHBondContact OD1-N 3.04Å; D85-A93 PolarHBondContact OD2-N 3.28Å; D85-F220 HydrophobicContact CB-CE2 3.99Å; D85-F220 HydrophobicContact CB-CZ 4.16Å; D85-H247 IonicContact OD2-CE1 3.59Å; D85-H247 IonicContact OD2-CG 3.74Å; D85-H247 IonicContact OD2-ND1 2.78Å; D85-H247 PolarHBondContact OD2-ND1 3.45Å
86R98Very high98.3Very high36 Ų3614.5 Ų14.514%0.1367%0.069CC..Hα-helixtrans-63.6-51.6177.3-170.4-168.4-62.8-154.421.7111.9Y7 E10 V13 F82 H83 L84 N89Y7-R86 HydrophobicContact CE2-CG 4.27Å; Y7-R86 WeakPolarHBondContact OH-CA 3.43Å; Y7-R86 VanDerWaalsContact OH-CB 3.27Å; Y7-R86 WeakPolarHBondContact OH-CB 3.31Å; Y7-R86 WeakPolarHBondContact OH-CG 3.24Å; E10-R86 WeakPolarHBondContact OE2-CD 3.4Å; E10-R86 IonicContact OE2-CZ 3.91Å; E10-R86 IonicContact OE2-NE 2.82Å; E10-R86 IonicContact OE2-NH1 2.66Å; E10-R86 PolarHBondContact OE2-NH1 3.13Å; V13-R86 VanDerWaalsContact CG1-NH2 3.25Å; F82-R86 WeakPolarHBondContact O-CB 3.28Å; F82-R86 PolarHBondContact O-N 3Å; H83-R86 WeakPolarHBondContact O-CB 3.33Å; H83-R86 PolarHBondContact O-N 3.19Å; L84-R86 VanDerWaalsContact C-N 3.27Å; L84-R86 PolarHBondContact O-N 2.76Å; R86-N89 WeakPolarHBondContact O-CA 3.24Å; R86-N89 PolarHBondContact O-N 3.04Å
87I98.1Very high98.3Very high35 Ų3514.1 Ų14.118%0.1797%0.066CC..Hα-helixtrans-71.5-30.2-175.767.2-179.6000112.8H83 L84 N89 F285 L292 A295 L296H83-I87 WeakPolarHBondContact O-CG2 3.43Å; H83-I87 PolarHBondContact O-N 3.05Å; L84-I87 HydrophobicContact CD1-CD1 4.13Å; L84-I87 HydrophobicContact CD1-CG1 4.28Å; L84-I87 WeakPolarHBondContact O-CG1 3.31Å; L84-I87 PolarHBondContact O-N 2.77Å; I87-N89 PolarHBondContact O-N 3.23Å; I87-F285 HydrophobicContact CB-CZ 4.28Å; I87-F285 HydrophobicContact CG1-CZ 4.44Å; I87-L292 HydrophobicContact CD1-CD1 3.59Å; I87-L292 HydrophobicContact CG1-CD1 4.13Å; I87-A295 HydrophobicContact CD1-CB 4.26Å; I87-L296 HydrophobicContact CD1-CB 3.72Å; I87-L296 HydrophobicContact CD1-CD1 4.05Å; I87-L296 HydrophobicContact CD1-CG 4.47Å
88L98.3Very high98.3Very high6 Ų614.1 Ų14.13%0.0317%0.066CC..THydrogen-bonded Turntrans-73.5-5.8170.7-69.9174.6000112.4L84 F90 L223 S281 L282 F285 L292L84-L88 HydrophobicContact CD1-CD1 3.71Å; L84-L88 HydrophobicContact CD1-CG 3.99Å; L84-L88 HydrophobicContact CG-CD1 3.86Å; L84-L88 HydrophobicContact CG-CG 4.48Å; L84-L88 WeakPolarHBondContact O-CB 3.49Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 2.76Å; L88-F90 VanDerWaalsContact C-N 3.29Å; L88-F90 HydrophobicContact CB-CD2 3.78Å; L88-F90 HydrophobicContact CB-CE2 3.81Å; L88-F90 HydrophobicContact CD1-CD2 4.26Å; L88-F90 HydrophobicContact CD1-CE2 3.72Å; L88-F90 HydrophobicContact CG-CE2 4.42Å; L88-F90 PolarHBondContact O-N 2.93Å; L88-L223 HydrophobicContact CD1-CD1 3.77Å; L88-S281 PolarHBondContact O-OG 2.89Å; L88-L282 HydrophobicContact CD2-CD2 3.99Å; L88-F285 HydrophobicContact CD2-CD2 4Å; L88-F285 HydrophobicContact CD2-CE2 3.9Å; L88-L292 HydrophobicContact CD2-CD1 4.02Å; L88-L292 HydrophobicContact CD2-CD2 4.45Å; L88-L292 HydrophobicContact CG-CD1 4.45Å
89N97.2Very high98.3Very high102 Ų10215 Ų1555%0.5457%0.07SC..THydrogen-bonded Turntrans64.828178.4-162.751.1000113.9D85 R86 I87 R91D85-N89 PolarHBondContact O-N 2.92Å; R86-N89 WeakPolarHBondContact O-CA 3.24Å; R86-N89 PolarHBondContact O-N 3.04Å; I87-N89 PolarHBondContact O-N 3.23Å; N89-R91 PolarHBondContact OD1-NE 3.42Å; N89-R91 PolarHBondContact OD1-NH2 3.37Å
90F97.9Very high98.2Very high17 Ų1721 Ų218%0.07510%0.096CC..  trans-70.7-49.6169.6-69.8-53.5000110.5D85 L88 R92 D216 F220 H247 T278D85-F90 PolarHBondContact O-N 3.22Å; D85-F90 WeakPolarHBondContact OD2-CB 3.4Å; L88-F90 VanDerWaalsContact C-N 3.29Å; L88-F90 HydrophobicContact CB-CD2 3.78Å; L88-F90 HydrophobicContact CB-CE2 3.81Å; L88-F90 HydrophobicContact CD1-CD2 4.26Å; L88-F90 HydrophobicContact CD1-CE2 3.72Å; L88-F90 HydrophobicContact CG-CE2 4.42Å; L88-F90 PolarHBondContact O-N 2.93Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 HydrophobicContact CB-CB 4.49Å; F90-R92 HydrophobicContact CB-CG 4.24Å; F90-R92 WeakPolarHBondContact O-CG 3.03Å; F90-R92 PolarHBondContact O-N 3.18Å; F90-D216 HydrophobicContact CD1-CB 4.3Å; F90-D216 HydrophobicContact CE1-CB 3.67Å; F90-D216 VanDerWaalsContact CE1-CG 3.46Å; F90-D216 HydrophobicContact CZ-CB 4.19Å; F90-F220 HydrophobicContact CD2-CD2 4.47Å; F90-F220 HydrophobicContact CE2-CB 4.25Å; F90-F220 HydrophobicContact CE2-CD2 4.39Å; F90-H247 AromaticContact CD2-CE1 3.91Å; F90-H247 AromaticContact CG-CE1 3.85Å; F90-T278 HydrophobicContact CE1-CG2 3.96Å; F90-T278 HydrophobicContact CZ-CG2 3.85Å
91R98Very high98.1Very high47 Ų4721 Ų2118%0.17710%0.096CC..  trans60.338-177.2-53.1167.1175.6-79.8-12.2112.1S5 F6 Y7 E10 D85 N89S5-R91 CarbonylContact C-O 3.51Å; S5-R91 WeakPolarHBondContact CA-O 3.25Å; S5-R91 WeakPolarHBondContact CB-O 3.1Å; F6-R91 PolarHBondContact N-O 3.41Å; Y7-R91 HydrophobicContact CD1-CB 4.49Å; Y7-R91 HydrophobicContact CD2-CB 4.37Å; Y7-R91 HydrophobicContact CD2-CG 4.33Å; Y7-R91 HydrophobicContact CE1-CB 4.11Å; Y7-R91 HydrophobicContact CE2-CB 4.02Å; Y7-R91 HydrophobicContact CE2-CG 3.78Å; Y7-R91 WeakPolarHBondContact O-CD 3.35Å; E10-R91 IonicContact OE1-CZ 2.59Å; E10-R91 VanDerWaalsContact OE1-CZ 3.23Å; E10-R91 IonicContact OE1-NH1 3.89Å; E10-R91 PolarHBondContact OE1-NH1 3.02Å; E10-R91 IonicContact OE1-NH2 3.09Å; E10-R91 PolarHBondContact OE1-NH2 3.15Å; D85-R91 WeakPolarHBondContact OD1-CA 3.31Å; D85-R91 PolarHBondContact OD1-N 2.97Å; N89-R91 PolarHBondContact OD1-NE 3.42Å; N89-R91 PolarHBondContact OD1-NH2 3.37Å
92R98Very high98.1Very high18 Ų1822.8 Ų22.87%0.06811%0.105CC..  trans-119.30.5-175.9-58179.2-174-168.8-5.4113.1F6 D85 F90 D213 D216 F244 H247F6-R92 VanDerWaalsContact CD2-C 3.43Å; F6-R92 VanDerWaalsContact CD2-O 3.32Å; F6-R92 WeakPolarHBondContact CD2-O 3.43Å; F6-R92 WeakPolarHBondContact CE2-O 3.45Å; D85-R92 PolarHBondContact OD1-N 3.3Å; D85-R92 PolarHBondContact OD2-N 3.26Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 HydrophobicContact CB-CB 4.49Å; F90-R92 HydrophobicContact CB-CG 4.24Å; F90-R92 WeakPolarHBondContact O-CG 3.03Å; F90-R92 PolarHBondContact O-N 3.18Å; R92-D213 IonicContact CZ-OD1 3.23Å; R92-D213 VanDerWaalsContact NH1-CG 3.32Å; R92-D213 IonicContact NH1-OD1 2.68Å; R92-D213 PolarHBondContact NH1-OD1 2.87Å; R92-D213 IonicContact NH2-OD1 2.97Å; R92-D213 PolarHBondContact NH2-OD1 3.45Å; R92-D216 IonicContact NH1-OD2 3.75Å; R92-F244 HydrophobicContact CB-CD2 3.73Å; R92-F244 HydrophobicContact CB-CE2 3.76Å; R92-F244 HydrophobicContact CG-CD2 3.46Å; R92-F244 VanDerWaalsContact CG-CD2 3.46Å; R92-F244 HydrophobicContact CG-CE2 3.85Å; R92-F244 HydrophobicContact CG-CG 4.2Å; R92-H247 HydrophobicContact CB-CB 4.44Å; R92-H247 PolarHBondContact O-N 2.78Å
93A98.2Very high98.1Very high1 Ų122.7 Ų22.71%0.00811%0.105CC..SBendtrans-95.9150.4165.300000110.6F82 D85 H247F82-A93 HydrophobicContact CB-CB 4.4Å; F82-A93 HydrophobicContact CD2-CB 4.27Å; D85-A93 HydrophobicContact CB-CB 3.55Å; D85-A93 PolarHBondContact OD1-N 3.04Å; D85-A93 PolarHBondContact OD2-N 3.28Å; A93-H247 HydrophobicContact CB-CB 4.23Å
94L97.6Very high98Very high10 Ų1023.6 Ų23.65%0.05211%0.113CC..PPolyproline II helixtrans-78.3145.3177.8-73.1170.4000111.7F6 F82 T96 Q157 V158 L160 L248F6-L94 HydrophobicContact CD1-CD2 3.71Å; F6-L94 HydrophobicContact CD2-CD2 4.03Å; F6-L94 HydrophobicContact CD2-CG 4.32Å; F6-L94 HydrophobicContact CE1-CD2 3.49Å; F6-L94 VanDerWaalsContact CE1-CD2 3.49Å; F6-L94 HydrophobicContact CE1-CG 4.25Å; F6-L94 HydrophobicContact CE2-CD2 3.81Å; F6-L94 HydrophobicContact CE2-CG 3.8Å; F6-L94 HydrophobicContact CG-CD2 3.98Å; F6-L94 HydrophobicContact CZ-CD1 4.44Å; F6-L94 HydrophobicContact CZ-CD2 3.53Å; F6-L94 HydrophobicContact CZ-CG 3.76Å; F82-L94 WeakPolarHBondContact CD2-O 3.23Å; F82-L94 WeakPolarHBondContact CG-O 3.41Å; L94-T96 PolarHBondContact O-N 3.36Å; L94-T96 VanDerWaalsContact O-N 3.07Å; L94-T96 PolarHBondContact O-OG1 2.93Å; L94-Q157 HydrophobicContact CB-CG 3.66Å; L94-Q157 HydrophobicContact CD1-CG 4.2Å; L94-V158 HydrophobicContact CB-CG1 4.33Å; L94-V158 HydrophobicContact CD2-CG1 4.27Å; L94-L160 HydrophobicContact CD1-CD1 4.49Å; L94-L160 HydrophobicContact CD1-CD2 3.83Å; L94-L160 HydrophobicContact CD1-CG 3.8Å; L94-L160 HydrophobicContact CD2-CD2 4.02Å; L94-L160 HydrophobicContact CG-CD2 4.4Å; L94-L248 HydrophobicContact CD1-CD2 3.54Å; L94-L248 HydrophobicContact CG-CD2 3.9Å
95P98Very high98Very high6 Ų630.3 Ų30.34%0.03914%0.142CC..PPolyproline II helixtrans-47116.8169-2935000112.5V13 I16 I17 F82 Q157 V158V13-P95 HydrophobicContact CG1-CG 4.31Å; I16-P95 HydrophobicContact CG2-CB 3.93Å; I16-P95 HydrophobicContact CG2-CG 4.39Å; I17-P95 HydrophobicContact CD1-CB 4.04Å; I17-P95 HydrophobicContact CG1-CB 4.48Å; F82-P95 HydrophobicContact CE2-CB 4.35Å; F82-P95 HydrophobicContact CE2-CG 4.32Å; F82-P95 HydrophobicContact CZ-CB 4.09Å; F82-P95 HydrophobicContact CZ-CG 4.38Å; P95-Q157 WeakPolarHBondContact O-CA 3.47Å; P95-V158 HydrophobicContact CB-CG1 3.93Å; P95-V158 HydrophobicContact CG-CG1 4.02Å; P95-V158 PolarHBondContact O-N 3.42Å
96T98.6Very high97.9Very high0 Ų031.7 Ų31.70%015%0.149CC..EExtended strand (participates in β ladder)trans-134.1133.3-176.5-53.50000109.6E78 I79 F82 L94 L156 Q157E78-T96 HydrophobicContact CB-CG2 4.04Å; I79-T96 HydrophobicContact CG1-CG2 4.02Å; F82-T96 VanDerWaalsContact CD1-O 3.3Å; F82-T96 WeakPolarHBondContact CD1-O 3.4Å; L94-T96 PolarHBondContact O-N 3.36Å; L94-T96 VanDerWaalsContact O-N 3.07Å; L94-T96 PolarHBondContact O-OG1 2.93Å; T96-L156 WeakPolarHBondContact CA-O 3.38Å; T96-Q157 HydrophobicContact CG2-CB 4.06Å; T96-Q157 WeakPolarHBondContact OG1-CG 3.35Å; T96-Q157 PolarHBondContact OG1-NE2 2.98Å
97V98.5Very high97.9Very high0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-134.3149.1-174.771.70000111.7I17 L20 R21 S155 L156 D303I17-V97 HydrophobicContact CD1-CB 3.89Å; I17-V97 HydrophobicContact CG2-CB 4.21Å; I17-V97 HydrophobicContact CG2-CG2 3.75Å; L20-V97 HydrophobicContact CB-CG1 3.65Å; L20-V97 HydrophobicContact CD1-CG1 4.19Å; R21-V97 HydrophobicContact CG-CG1 4.31Å; R21-V97 HydrophobicContact CG-CG2 3.69Å; V97-S155 CarbonylContact O-C 3.47Å; V97-S155 WeakPolarHBondContact O-CA 3.37Å; V97-L156 HydrophobicContact CG1-CB 4.08Å; V97-L156 PolarHBondContact N-O 2.83Å; V97-L156 PolarHBondContact O-N 3.09Å; V97-D303 VanDerWaalsContact CG2-OD2 3.29Å; V97-D303 WeakPolarHBondContact CG2-OD2 3.46Å
98G98.4Very high97.9Very high0 Ų030.5 Ų30.50%015%0.145CC..EExtended strand (participates in β ladder)trans-70.5134.4166.500000112.1D303G98-D303 WeakPolarHBondContact CA-OD1 3.13Å; G98-D303 PolarHBondContact N-OD1 2.88Å; G98-D303 PolarHBondContact N-OD2 3.01Å
99R97.9Very high97.9Very high21 Ų2134.3 Ų34.38%0.07917%0.165CC..EExtended strand (participates in β ladder)trans-141.8135.8172.1-174173.3176.8164.2-3.5110.9L20 L23 V101 E153 G154 L156L20-R99 WeakPolarHBondContact O-CD 3.32Å; L20-R99 PolarHBondContact O-NH1 3.22Å; L23-R99 VanDerWaalsContact O-CZ 3.3Å; L23-R99 PolarHBondContact O-NH1 2.99Å; L23-R99 PolarHBondContact O-NH2 2.95Å; R99-V101 HydrophobicContact CG-CG1 4.08Å; R99-E153 CarbonylContact O-C 3.4Å; R99-G154 PolarHBondContact N-O 3.33Å; R99-G154 PolarHBondContact O-N 3.48Å; R99-L156 HydrophobicContact CB-CB 4.43Å
100K97.1Very high97.9Very high127 Ų12731.2 Ų31.255%0.55215%0.148SC*.EExtended strand (participates in β ladder)trans-90126.8165.1-67.3179.3-176.71750108.5I152 E153K100-I152 CarbonylContact C-O 3.6Å; K100-I152 WeakPolarHBondContact CA-O 3.4Å; K100-E153 HydrophobicContact CG-CB 4.14Å; K100-E153 HydrophobicContact CG-CG 4.29Å
101V97.4Very high97.8Very high0 Ų030.4 Ų30.40%015%0.145CC..EExtended strand (participates in β ladder)trans-115.8141.6177.7-60.20000109.2L41 F51 R99 D106 L107 L151 I152L41-V101 HydrophobicContact CD1-CG1 4.46Å; F51-V101 HydrophobicContact CE1-CG2 4.01Å; F51-V101 HydrophobicContact CE2-CG1 4.04Å; F51-V101 HydrophobicContact CE2-CG2 3.94Å; F51-V101 HydrophobicContact CZ-CG1 4.42Å; F51-V101 HydrophobicContact CZ-CG2 3.47Å; F51-V101 VanDerWaalsContact CZ-CG2 3.47Å; R99-V101 HydrophobicContact CG-CG1 4.08Å; V101-D106 HydrophobicContact CB-CB 4.25Å; V101-L107 HydrophobicContact CB-CD2 4.45Å; V101-L107 HydrophobicContact CG2-CD1 3.92Å; V101-L107 HydrophobicContact CG2-CD2 4.14Å; V101-L107 HydrophobicContact CG2-CG 4.11Å; V101-L151 WeakPolarHBondContact O-CA 3.32Å; V101-I152 HydrophobicContact CG2-CG2 3.55Å; V101-I152 PolarHBondContact N-O 3.43Å; V101-I152 PolarHBondContact O-N 2.86Å
102N98Very high97.5Very high36 Ų3635.6 Ų35.619%0.19317%0.169CC..EExtended strand (participates in β ladder)trans-79.6119.9171.4-177.5-68.4000109.1S104 K105 D106 L107 D150 L151N102-S104 VanDerWaalsContact C-N 3.31Å; N102-S104 PolarHBondContact O-N 3.13Å; N102-S104 PolarHBondContact OD1-N 3.19Å; N102-K105 HydrophobicContact CB-CB 4.12Å; N102-K105 WeakPolarHBondContact OD1-CB 3.43Å; N102-K105 PolarHBondContact OD1-N 2.02Å; N102-D106 PolarHBondContact N-OD2 3.49Å; N102-D106 WeakPolarHBondContact O-CA 3.35Å; N102-D106 VanDerWaalsContact O-CB 3.28Å; N102-D106 WeakPolarHBondContact O-CB 3.41Å; N102-D106 PolarHBondContact O-N 3.16Å; N102-L107 PolarHBondContact O-N 3.38Å; N102-D150 CarbonylContact C-O 3.54Å; N102-D150 WeakPolarHBondContact CA-O 3.46Å; N102-D150 PolarHBondContact ND2-OD2 2.77Å; N102-D150 PolarHBondContact OD1-OD2 3.49Å; N102-L151 HydrophobicContact CB-CD2 4Å
103V98.5Very high97.1Very high0 Ų038.6 Ų38.60%019%0.189CC..Iπ-helixtrans-61.9-41-174.4179.80000110.9L107 E108 F121 R129 F131 D150 I152V103-L107 WeakPolarHBondContact O-CB 3.39Å; V103-E108 WeakPolarHBondContact O-CB 3.39Å; V103-E108 PolarHBondContact O-N 3.42Å; V103-F121 HydrophobicContact CG1-CD1 3.94Å; V103-F121 HydrophobicContact CG1-CE1 3.89Å; V103-R129 HydrophobicContact CB-CB 4.1Å; V103-R129 HydrophobicContact CB-CG 3.87Å; V103-R129 HydrophobicContact CG1-CB 4.09Å; V103-R129 HydrophobicContact CG1-CG 3.47Å; V103-R129 VanDerWaalsContact CG1-CG 3.47Å; V103-F131 HydrophobicContact CG1-CD1 3.67Å; V103-F131 HydrophobicContact CG1-CE1 4.08Å; V103-F131 HydrophobicContact CG2-CD1 4.46Å; V103-F131 HydrophobicContact CG2-CE1 4.13Å; V103-D150 WeakPolarHBondContact CG2-O 3.22Å; V103-D150 PolarHBondContact N-O 3.24Å; V103-I152 HydrophobicContact CG2-CB 4.12Å; V103-I152 HydrophobicContact CG2-CG2 3.62Å
104S97.7Very high96.8Very high33 Ų3338.8 Ų38.823%0.23119%0.191CC..Iπ-helixtrans-72.6-59.1178.8-54.10000111.7N102 E108 D109 D150N102-S104 VanDerWaalsContact C-N 3.31Å; N102-S104 PolarHBondContact O-N 3.13Å; N102-S104 PolarHBondContact OD1-N 3.19Å; S104-E108 WeakPolarHBondContact O-CB 3.44Å; S104-E108 PolarHBondContact O-N 2.79Å; S104-D109 PolarHBondContact O-N 2.62Å; S104-D150 PolarHBondContact N-OD1 3.24Å; S104-D150 PolarHBondContact OG-OD1 2.9Å; S104-D150 PolarHBondContact OG-OD2 2.74Å
105K97.5Very high96.5Very high142 Ų14243.4 Ų43.462%0.61722%0.221SC*.Iπ-helixtrans-74.7-45.3-171.5-178.5-171.3172.6-168.90113.9N102 N110N102-K105 HydrophobicContact CB-CB 4.12Å; N102-K105 WeakPolarHBondContact OD1-CB 3.43Å; N102-K105 PolarHBondContact OD1-N 2.02Å; K105-N110 PolarHBondContact O-ND2 3.31Å
106D97.7Very high96.1Very high29 Ų2945.1 Ų45.116%0.15523%0.23CC..Iπ-helixtrans-88.9-30.9-173.1-58.4-33.6000111.3V25 V28 V101 N102 N110V25-D106 HydrophobicContact CB-CB 4.43Å; V25-D106 VanDerWaalsContact CG1-O 3.3Å; V25-D106 WeakPolarHBondContact CG1-O 3.38Å; V25-D106 HydrophobicContact CG2-CB 4.28Å; V28-D106 WeakPolarHBondContact CG2-O 3.33Å; V101-D106 HydrophobicContact CB-CB 4.25Å; N102-D106 PolarHBondContact N-OD2 3.49Å; N102-D106 WeakPolarHBondContact O-CA 3.35Å; N102-D106 VanDerWaalsContact O-CB 3.28Å; N102-D106 WeakPolarHBondContact O-CB 3.41Å; N102-D106 PolarHBondContact O-N 3.16Å; D106-N110 PolarHBondContact O-ND2 3.09Å
107L98.1Very high96Very high0 Ų045.1 Ų45.10%023%0.23CC..Iπ-helixtrans-102.5-64.5-177.6-50.4-177.4000113.1V28 L39 L41 V101 N102 V103 N110 A111 F121 F131V28-L107 HydrophobicContact CG1-CD2 4.34Å; V28-L107 HydrophobicContact CG2-CD2 4.15Å; L39-L107 HydrophobicContact CD1-CD1 4.2Å; L39-L107 HydrophobicContact CD1-CD2 4.29Å; L41-L107 HydrophobicContact CD2-CD2 3.84Å; V101-L107 HydrophobicContact CB-CD2 4.45Å; V101-L107 HydrophobicContact CG2-CD1 3.92Å; V101-L107 HydrophobicContact CG2-CD2 4.14Å; V101-L107 HydrophobicContact CG2-CG 4.11Å; N102-L107 PolarHBondContact O-N 3.38Å; V103-L107 WeakPolarHBondContact O-CB 3.39Å; L107-N110 CarbonylContact O-C 3.56Å; L107-N110 PolarHBondContact O-N 3.34Å; L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 3.05Å; L107-F121 HydrophobicContact CB-CE1 4.1Å; L107-F121 HydrophobicContact CB-CZ 4.08Å; L107-F131 HydrophobicContact CD1-CE1 3.81Å; L107-F131 HydrophobicContact CD1-CE2 4.46Å; L107-F131 HydrophobicContact CD1-CZ 3.76Å
108E97.6Very high95.8Very high46 Ų4648.5 Ų48.522%0.21525%0.248CC..G310 helixtrans-63.8-49.6-171-178.5179.2-175.400113.3V103 S104 N110 A111 F121 R129V103-E108 WeakPolarHBondContact O-CB 3.39Å; V103-E108 PolarHBondContact O-N 3.42Å; S104-E108 WeakPolarHBondContact O-CB 3.44Å; S104-E108 PolarHBondContact O-N 2.79Å; E108-N110 PolarHBondContact O-N 3.48Å; E108-A111 PolarHBondContact O-N 3.14Å; E108-F121 HydrophobicContact CB-CD1 3.83Å; E108-F121 HydrophobicContact CB-CD2 4.07Å; E108-F121 HydrophobicContact CB-CE1 3.77Å; E108-F121 HydrophobicContact CB-CE2 3.98Å; E108-F121 HydrophobicContact CB-CG 4Å; E108-F121 HydrophobicContact CB-CZ 3.85Å; E108-F121 HydrophobicContact CG-CB 4.33Å; E108-F121 HydrophobicContact CG-CD1 4.22Å; E108-F121 HydrophobicContact CG-CD2 3.81Å; E108-F121 HydrophobicContact CG-CE2 4.11Å; E108-F121 HydrophobicContact CG-CG 3.87Å; E108-F121 HydrophobicContact CG-CZ 4.47Å; E108-R129 IonicContact OE1-CZ 2.78Å; E108-R129 IonicContact OE1-NH2 3.42Å; E108-R129 PolarHBondContact OE1-NH2 2.94Å; E108-R129 IonicContact OE2-CZ 3.66Å; E108-R129 IonicContact OE2-NE 3.67Å; E108-R129 PolarHBondContact OE2-NE 2.85Å; E108-R129 IonicContact OE2-NH2 2.63Å; E108-R129 PolarHBondContact OE2-NH2 3.4Å
109D97.2Very high95.6Very high86 Ų8651.6 Ų51.646%0.4628%0.28SS..G310 helixtrans-59.4-23.5-179.5-76.4-21.1000112.8S104 K112S104-D109 PolarHBondContact O-N 2.62Å; D109-K112 WeakPolarHBondContact O-CE 3.32Å; D109-K112 PolarHBondContact O-NZ 2.89Å; D109-K112 VanDerWaalsContact O-NZ 3.1Å
110N97.4Very high95.6Very high36 Ų3651.1 Ų51.119%0.19328%0.279CS..G310 helixtrans-105.50.2-177.3-58.7-44.3000113.4V25 L26 V28 K105 D106 L107 E108 K112V25-N110 PolarHBondContact O-ND2 3.36Å; L26-N110 PolarHBondContact O-OD1 2.65Å; V28-N110 HydrophobicContact CG2-CB 4.01Å; V28-N110 PolarHBondContact N-O 3.38Å; K105-N110 PolarHBondContact O-ND2 3.31Å; D106-N110 PolarHBondContact O-ND2 3.09Å; L107-N110 CarbonylContact O-C 3.56Å; L107-N110 PolarHBondContact O-N 3.34Å; E108-N110 PolarHBondContact O-N 3.48Å; N110-K112 VanDerWaalsContact C-N 3.33Å; N110-K112 PolarHBondContact O-N 2.99Å
111A97.1Very high95.6Very high0 Ų046.1 Ų46.10%026%0.258CS..  trans-89.69.1-17900000113.9L107 E108 T113 S114 L117 F121L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 3.05Å; E108-A111 PolarHBondContact O-N 3.14Å; A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 3.3Å; A111-T113 VanDerWaalsContact O-N 3.17Å; A111-S114 PolarHBondContact O-N 3.48Å; A111-L117 HydrophobicContact CB-CB 4.37Å; A111-L117 HydrophobicContact CB-CD2 3.81Å; A111-L117 HydrophobicContact CB-CG 4.09Å; A111-F121 HydrophobicContact CB-CE2 3.93Å; A111-F121 HydrophobicContact CB-CZ 4.34Å
112K90.9Very high95.6Very high157 Ų15748.7 Ų48.768%0.68327%0.269SS*.THydrogen-bonded Turntrans-57.3-35.5-169.4-68.2170.4-178.4147.70113.8D109 N110 S114D109-K112 WeakPolarHBondContact O-CE 3.32Å; D109-K112 PolarHBondContact O-NZ 2.89Å; D109-K112 VanDerWaalsContact O-NZ 3.1Å; N110-K112 VanDerWaalsContact C-N 3.33Å; N110-K112 PolarHBondContact O-N 2.99Å; K112-S114 VanDerWaalsContact C-N 3.34Å
113T89.9Confident95.7Very high80 Ų8052.2 Ų52.249%0.49129%0.286SS..THydrogen-bonded Turntrans-88.3-0179.552.80000113.1Y29 A111 P115Y29-T113 WeakPolarHBondContact CE1-OG1 3.47Å; Y29-T113 PolarHBondContact OH-OG1 3.34Å; A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 3.3Å; A111-T113 VanDerWaalsContact O-N 3.17Å; T113-P115 VanDerWaalsContact O-CD 3.22Å; T113-P115 WeakPolarHBondContact O-CD 3.35Å
114S92.7Very high95.6Very high6 Ų653 Ų534%0.04229%0.292CS..  trans-110.587.1177.8-165.40000110.9V28 N30 A111 K112 D116 L117 N118V28-S114 WeakPolarHBondContact O-CB 3.46Å; N30-S114 PolarHBondContact N-OG 3.06Å; A111-S114 PolarHBondContact O-N 3.48Å; K112-S114 VanDerWaalsContact C-N 3.34Å; S114-D116 PolarHBondContact O-N 3.32Å; S114-D116 VanDerWaalsContact O-N 3.13Å; S114-L117 PolarHBondContact O-N 3.44Å; S114-N118 WeakPolarHBondContact O-CB 3.36Å; S114-N118 PolarHBondContact O-N 3.18Å
115P89.9Confident95.6Very high107 Ų10757.8 Ų57.870%0.69532%0.322SS*.Hα-helixtrans-60.2-27.5-178.123.4-33.6000112.8T113 L117T113-P115 VanDerWaalsContact O-CD 3.22Å; T113-P115 WeakPolarHBondContact O-CD 3.35Å; P115-L117 VanDerWaalsContact C-N 3.28Å; P115-L117 PolarHBondContact O-N 3.04Å
116D90.9Very high95.7Very high42 Ų4254.4 Ų54.423%0.22532%0.321CS..Hα-helixtrans-74.6-14177.1-70.1-41.7000114N30 R32 S114 T120 K134N30-D116 HydrophobicContact CB-CB 4.15Å; R32-D116 IonicContact CZ-OD1 3.73Å; R32-D116 IonicContact CZ-OD2 3.14Å; R32-D116 IonicContact NE-OD1 4Å; R32-D116 IonicContact NE-OD2 2.74Å; R32-D116 PolarHBondContact NE-OD2 2.69Å; R32-D116 IonicContact NH2-OD1 2.88Å; R32-D116 PolarHBondContact NH2-OD1 3.2Å; R32-D116 IonicContact NH2-OD2 2.76Å; R32-D116 PolarHBondContact NH2-OD2 3.44Å; S114-D116 PolarHBondContact O-N 3.32Å; S114-D116 VanDerWaalsContact O-N 3.13Å; D116-T120 WeakPolarHBondContact O-CG2 3.43Å; D116-K134 HydrophobicContact CB-CB 4.08Å; D116-K134 HydrophobicContact CB-CD 4.17Å; D116-K134 VanDerWaalsContact OD1-CD 3.27Å; D116-K134 WeakPolarHBondContact OD1-CD 3.48Å; D116-K134 IonicContact OD1-NZ 2.9Å; D116-K134 PolarHBondContact OD1-NZ 3.08Å
117L96Very high95.7Very high0 Ų060.7 Ų60.70%035%0.347CS..Hα-helixtrans-108.5-46.8176.9-17359.2000112.3V28 N30 L39 A111 S114 P115 G119 T120 F121 F131V28-L117 HydrophobicContact CB-CD2 4.39Å; V28-L117 HydrophobicContact CG1-CD2 3.55Å; N30-L117 HydrophobicContact CB-CB 4.21Å; L39-L117 HydrophobicContact CD1-CD2 4.25Å; L39-L117 HydrophobicContact CD2-CD1 3.97Å; L39-L117 HydrophobicContact CD2-CD2 3.92Å; A111-L117 HydrophobicContact CB-CB 4.37Å; A111-L117 HydrophobicContact CB-CD2 3.81Å; A111-L117 HydrophobicContact CB-CG 4.09Å; S114-L117 PolarHBondContact O-N 3.44Å; P115-L117 VanDerWaalsContact C-N 3.28Å; P115-L117 PolarHBondContact O-N 3.04Å; L117-G119 VanDerWaalsContact C-N 3.28Å; L117-G119 PolarHBondContact O-N 3.33Å; L117-T120 WeakPolarHBondContact O-CB 3.46Å; L117-T120 PolarHBondContact O-N 3.02Å; L117-T120 PolarHBondContact O-OG1 3Å; L117-F121 HydrophobicContact CD1-CE2 4.26Å; L117-F121 HydrophobicContact CD1-CZ 4.17Å; L117-F121 HydrophobicContact CD2-CE2 4.41Å; L117-F121 HydrophobicContact CD2-CZ 4.2Å; L117-F121 HydrophobicContact CG-CE2 3.74Å; L117-F121 HydrophobicContact CG-CZ 3.88Å; L117-F131 HydrophobicContact CD1-CD2 4.12Å
118N93.9Very high95.7Very high71 Ų7162.4 Ų62.438%0.3836%0.356SS..Hα-helixtrans-53.3-42.4-171.8-170.76.7000112.7S114 T120S114-N118 WeakPolarHBondContact O-CB 3.36Å; S114-N118 PolarHBondContact O-N 3.18Å; N118-T120 PolarHBondContact O-N 2.85Å; N118-T120 VanDerWaalsContact O-N 3.17Å
119G94.1Very high95.7Very high65 Ų6562.3 Ų62.367%0.6735%0.354SS*.THydrogen-bonded Turntrans-75.83.9179.400000115.8L117L117-G119 VanDerWaalsContact C-N 3.28Å; L117-G119 PolarHBondContact O-N 3.33Å
120T97.3Very high95.8Very high11 Ų1158.2 Ų58.27%0.06733%0.332CS..THydrogen-bonded Turntrans-109.4-5.5-170.875.60000114.1D116 L117 N118 F131 Y132 G133D116-T120 WeakPolarHBondContact O-CG2 3.43Å; L117-T120 WeakPolarHBondContact O-CB 3.46Å; L117-T120 PolarHBondContact O-N 3.02Å; L117-T120 PolarHBondContact O-OG1 3Å; N118-T120 PolarHBondContact O-N 2.85Å; N118-T120 VanDerWaalsContact O-N 3.17Å; T120-F131 WeakPolarHBondContact O-CA 3.14Å; T120-Y132 HydrophobicContact CG2-CD2 4.08Å; T120-Y132 HydrophobicContact CG2-CE1 4.5Å; T120-Y132 HydrophobicContact CG2-CE2 3.59Å; T120-Y132 WeakPolarHBondContact O-CD1 3.37Å; T120-Y132 VanDerWaalsContact O-CE1 3.32Å; T120-Y132 WeakPolarHBondContact O-CE1 3.3Å; T120-G133 PolarHBondContact OG1-N 2.97Å
121F98.1Very high95.8Very high22 Ų2256.5 Ų56.510%0.09632%0.323CS..  trans-77.2139.3178.3-64.9-89.9000111.8V103 L107 E108 A111 L117 C130 F131V103-F121 HydrophobicContact CG1-CD1 3.94Å; V103-F121 HydrophobicContact CG1-CE1 3.89Å; L107-F121 HydrophobicContact CB-CE1 4.1Å; L107-F121 HydrophobicContact CB-CZ 4.08Å; E108-F121 HydrophobicContact CB-CD1 3.83Å; E108-F121 HydrophobicContact CB-CD2 4.07Å; E108-F121 HydrophobicContact CB-CE1 3.77Å; E108-F121 HydrophobicContact CB-CE2 3.98Å; E108-F121 HydrophobicContact CB-CG 4Å; E108-F121 HydrophobicContact CB-CZ 3.85Å; E108-F121 HydrophobicContact CG-CB 4.33Å; E108-F121 HydrophobicContact CG-CD1 4.22Å; E108-F121 HydrophobicContact CG-CD2 3.81Å; E108-F121 HydrophobicContact CG-CE2 4.11Å; E108-F121 HydrophobicContact CG-CG 3.87Å; E108-F121 HydrophobicContact CG-CZ 4.47Å; A111-F121 HydrophobicContact CB-CE2 3.93Å; A111-F121 HydrophobicContact CB-CZ 4.34Å; L117-F121 HydrophobicContact CD1-CE2 4.26Å; L117-F121 HydrophobicContact CD1-CZ 4.17Å; L117-F121 HydrophobicContact CD2-CE2 4.41Å; L117-F121 HydrophobicContact CD2-CZ 4.2Å; L117-F121 HydrophobicContact CG-CE2 3.74Å; L117-F121 HydrophobicContact CG-CZ 3.88Å; F121-C130 CarbonylContact C-O 3.51Å; F121-C130 VanDerWaalsContact CA-O 3.25Å; F121-C130 WeakPolarHBondContact CA-O 3.42Å; F121-F131 HydrophobicContact CD1-CB 3.57Å; F121-F131 HydrophobicContact CD1-CD1 4.48Å; F121-F131 HydrophobicContact CD1-CG 4.28Å; F121-F131 HydrophobicContact CE1-CB 3.68Å; F121-F131 HydrophobicContact CE1-CD1 4.15Å; F121-F131 AromaticContact CE1-CG 3.96Å; F121-F131 HydrophobicContact CE1-CG 3.96Å; F121-F131 HydrophobicContact CG-CB 4.14Å; F121-F131 HydrophobicContact CZ-CB 4.35Å
122F98Very high95.8Very high53 Ų5359.1 Ų59.123%0.23233%0.333CS..EExtended strand (participates in β ladder)trans-155.4173.6178.870-77000112.2R129 C130 Y132 L141 P144F122-R129 PolarHBondContact O-NH1 3.28Å; F122-C130 HydrophobicContact CD1-CB 3.97Å; F122-C130 HydrophobicContact CD2-CB 4.42Å; F122-C130 HydrophobicContact CE1-CB 3.49Å; F122-C130 VanDerWaalsContact CE1-CB 3.49Å; F122-C130 HydrophobicContact CE2-CB 4.01Å; F122-C130 HydrophobicContact CG-CB 4.41Å; F122-C130 HydrophobicContact CZ-CB 3.52Å; F122-C130 PolarHBondContact N-O 3.46Å; F122-C130 PolarHBondContact O-N 3.39Å; F122-Y132 HydrophobicContact CD1-CD1 4.33Å; F122-Y132 HydrophobicContact CD1-CE1 4.45Å; F122-Y132 AromaticContact CE1-CD1 4Å; F122-Y132 HydrophobicContact CE1-CD1 4Å; F122-Y132 HydrophobicContact CE1-CE1 4.49Å; F122-L141 HydrophobicContact CD1-CD2 4.18Å; F122-L141 HydrophobicContact CE1-CD2 3.95Å; F122-L141 HydrophobicContact CE2-CD2 4.5Å; F122-L141 HydrophobicContact CZ-CD2 4.11Å; F122-P144 HydrophobicContact CE1-CB 3.83Å; F122-P144 HydrophobicContact CZ-CB 3.65Å; F122-P144 HydrophobicContact CZ-CG 3.97Å
123I98.3Very high96.1Very high110 Ų11051.7 Ų51.756%0.56430%0.301SS*.EExtended strand (participates in β ladder)trans-108125.2174.7-58.4179.9000108.2K127 N128I123-K127 HydrophobicContact CG2-CD 4.38Å; I123-N128 WeakPolarHBondContact CA-O 3.46Å
124S98.1Very high96.4Very high17 Ų1752.5 Ų52.512%0.11930%0.298CS..  trans-71.3164.4177.577.40000112.1A126 K127 N128S124-A126 PolarHBondContact O-N 2.59Å; S124-A126 VanDerWaalsContact O-N 3.14Å; S124-A126 PolarHBondContact OG-N 3.09Å; S124-K127 WeakPolarHBondContact O-CA 3.41Å; S124-K127 PolarHBondContact O-N 2.9Å; S124-N128 PolarHBondContact N-O 3.01Å; S124-N128 PolarHBondContact OG-N 3.46Å
125P97.8Very high96.6Very high133 Ų13353.4 Ų53.486%0.86430%0.304SS*.THydrogen-bonded Turntrans-55.2-30.1171.8-27.236.3000113.6K127P125-K127 PolarHBondContact O-N 2.85Å
126A97.9Very high96.7Very high72 Ų7254.2 Ų54.260%0.59530%0.303SS*.THydrogen-bonded Turntrans-805.9175.600000114S124 N128S124-A126 PolarHBondContact O-N 2.59Å; S124-A126 VanDerWaalsContact O-N 3.14Å; S124-A126 PolarHBondContact OG-N 3.09Å; A126-N128 VanDerWaalsContact C-N 3.33Å; A126-N128 PolarHBondContact O-N 2.79Å
127K98Very high96.8Very high161 Ų16156.8 Ų56.870%0.731%0.31SS*.SBendtrans6726.7-179.9-49.3-59.1-176.6-177.90114.9I123 S124 P125I123-K127 HydrophobicContact CG2-CD 4.38Å; S124-K127 WeakPolarHBondContact O-CA 3.41Å; S124-K127 PolarHBondContact O-N 2.9Å; P125-K127 PolarHBondContact O-N 2.85Å
128N98.4Very high96.8Very high36 Ų3659.1 Ų59.119%0.19332%0.319CS..  trans-90.8147171.6-61.2-18.5000110.8I123 S124 A126 C146 G147 P149I123-N128 WeakPolarHBondContact CA-O 3.46Å; S124-N128 PolarHBondContact N-O 3.01Å; S124-N128 PolarHBondContact OG-N 3.46Å; A126-N128 VanDerWaalsContact C-N 3.33Å; A126-N128 PolarHBondContact O-N 2.79Å; N128-C146 HydrophobicContact CB-CB 4.48Å; N128-G147 VanDerWaalsContact CB-O 3.3Å; N128-G147 WeakPolarHBondContact CB-O 3.45Å; N128-G147 VanDerWaalsContact CG-O 3.24Å; N128-G147 PolarHBondContact ND2-O 3.48Å; N128-P149 CarbonylContact C-O 3.53Å; N128-P149 VanDerWaalsContact CA-O 3.3Å; N128-P149 WeakPolarHBondContact CA-O 3.43Å; N128-P149 WeakPolarHBondContact OD1-CA 3.31Å
129R98.3Very high97Very high44 Ų4456.7 Ų56.717%0.16631%0.307CS..EExtended strand (participates in β ladder)trans-77.2128.8168.5-163.778.2-169.5135.8-14.9109.1V103 E108 F122 G147 P149 D150V103-R129 HydrophobicContact CB-CB 4.1Å; V103-R129 HydrophobicContact CB-CG 3.87Å; V103-R129 HydrophobicContact CG1-CB 4.09Å; V103-R129 HydrophobicContact CG1-CG 3.47Å; V103-R129 VanDerWaalsContact CG1-CG 3.47Å; E108-R129 IonicContact OE1-CZ 2.78Å; E108-R129 IonicContact OE1-NH2 3.42Å; E108-R129 PolarHBondContact OE1-NH2 2.94Å; E108-R129 IonicContact OE2-CZ 3.66Å; E108-R129 IonicContact OE2-NE 3.67Å; E108-R129 PolarHBondContact OE2-NE 2.85Å; E108-R129 IonicContact OE2-NH2 2.63Å; E108-R129 PolarHBondContact OE2-NH2 3.4Å; F122-R129 PolarHBondContact O-NH1 3.28Å; R129-G147 PolarHBondContact O-N 3.16Å; R129-P149 PolarHBondContact N-O 2.98Å; R129-D150 HydrophobicContact CB-CB 4.46Å; R129-D150 WeakPolarHBondContact CB-OD1 3.37Å; R129-D150 WeakPolarHBondContact CG-OD1 3.08Å
130C98.6Very high97.1Very high0 Ų056.2 Ų56.20%029%0.289CS..EExtended strand (participates in β ladder)trans-134.5159.8-175.4-56.70000111.6F121 F122 P144 I145 C146F121-C130 CarbonylContact C-O 3.51Å; F121-C130 VanDerWaalsContact CA-O 3.25Å; F121-C130 WeakPolarHBondContact CA-O 3.42Å; F122-C130 HydrophobicContact CD1-CB 3.97Å; F122-C130 HydrophobicContact CD2-CB 4.42Å; F122-C130 HydrophobicContact CE1-CB 3.49Å; F122-C130 VanDerWaalsContact CE1-CB 3.49Å; F122-C130 HydrophobicContact CE2-CB 4.01Å; F122-C130 HydrophobicContact CG-CB 4.41Å; F122-C130 HydrophobicContact CZ-CB 3.52Å; F122-C130 PolarHBondContact N-O 3.46Å; F122-C130 PolarHBondContact O-N 3.39Å; C130-P144 HydrophobicContact CB-CB 4.37Å; C130-I145 CarbonylContact C-O 3.53Å; C130-I145 WeakPolarHBondContact CA-O 3.29Å; C130-I145 WeakPolarHBondContact CB-O 3.33Å; C130-C146 HydrophobicContact CB-CB 4.09Å; C130-C146 WeakPolarHBondContact CB-SG 3.21Å; C130-C146 WeakPolarHBondContact SG-CB 3.28Å; C130-C146 CovalentContact SG-SG 2.04Å; C130-C146 PolarHBondContact SG-SG 2.78Å
131F98.2Very high97Very high0 Ų061.1 Ų61.10%032%0.315CS..EExtended strand (participates in β ladder)trans-151.4159.4172.562.8-77.3000110L37 L39 P53 V103 L107 L117 T120 F121 I145 I152L37-F131 HydrophobicContact CD2-CD2 4.18Å; L37-F131 HydrophobicContact CD2-CE2 3.84Å; L39-F131 HydrophobicContact CD1-CE2 3.95Å; L39-F131 HydrophobicContact CD1-CZ 4.45Å; P53-F131 HydrophobicContact CB-CZ 4.45Å; V103-F131 HydrophobicContact CG1-CD1 3.67Å; V103-F131 HydrophobicContact CG1-CE1 4.08Å; V103-F131 HydrophobicContact CG2-CD1 4.46Å; V103-F131 HydrophobicContact CG2-CE1 4.13Å; L107-F131 HydrophobicContact CD1-CE1 3.81Å; L107-F131 HydrophobicContact CD1-CE2 4.46Å; L107-F131 HydrophobicContact CD1-CZ 3.76Å; L117-F131 HydrophobicContact CD1-CD2 4.12Å; T120-F131 WeakPolarHBondContact O-CA 3.14Å; F121-F131 HydrophobicContact CD1-CB 3.57Å; F121-F131 HydrophobicContact CD1-CD1 4.48Å; F121-F131 HydrophobicContact CD1-CG 4.28Å; F121-F131 HydrophobicContact CE1-CB 3.68Å; F121-F131 HydrophobicContact CE1-CD1 4.15Å; F121-F131 AromaticContact CE1-CG 3.96Å; F121-F131 HydrophobicContact CE1-CG 3.96Å; F121-F131 HydrophobicContact CG-CB 4.14Å; F121-F131 HydrophobicContact CZ-CB 4.35Å; F131-I145 HydrophobicContact CD1-CB 4.36Å; F131-I145 HydrophobicContact CD1-CG2 4.46Å; F131-I145 HydrophobicContact CE1-CB 3.96Å; F131-I145 HydrophobicContact CE1-CG2 3.65Å; F131-I145 HydrophobicContact CE2-CB 4.21Å; F131-I145 HydrophobicContact CE2-CG2 4.4Å; F131-I145 HydrophobicContact CZ-CB 3.89Å; F131-I145 HydrophobicContact CZ-CG2 3.62Å; F131-I145 PolarHBondContact N-O 3.31Å; F131-I145 PolarHBondContact O-N 3.35Å; F131-I152 HydrophobicContact CE1-CG2 4.37Å
132Y97.3Very high96.9Very high54 Ų5470.8 Ų70.821%0.21235%0.35CS..  trans-131.3-13.4175.857.3-93.7000113.6T120 F122 C139 D140 L141T120-Y132 HydrophobicContact CG2-CD2 4.08Å; T120-Y132 HydrophobicContact CG2-CE1 4.5Å; T120-Y132 HydrophobicContact CG2-CE2 3.59Å; T120-Y132 WeakPolarHBondContact O-CD1 3.37Å; T120-Y132 VanDerWaalsContact O-CE1 3.32Å; T120-Y132 WeakPolarHBondContact O-CE1 3.3Å; F122-Y132 HydrophobicContact CD1-CD1 4.33Å; F122-Y132 HydrophobicContact CD1-CE1 4.45Å; F122-Y132 AromaticContact CE1-CD1 4Å; F122-Y132 HydrophobicContact CE1-CD1 4Å; F122-Y132 HydrophobicContact CE1-CE1 4.49Å; Y132-C139 WeakPolarHBondContact O-CA 3.41Å; Y132-C139 VanDerWaalsContact O-CB 3.28Å; Y132-C139 WeakPolarHBondContact O-CB 3.47Å; Y132-C139 PolarHBondContact O-SG 2.69Å; Y132-D140 WeakPolarHBondContact CB-O 3.46Å; Y132-L141 HydrophobicContact CD1-CD2 3.9Å; Y132-L141 HydrophobicContact CD1-CG 4.41Å; Y132-L141 HydrophobicContact CE1-CD2 3.53Å; Y132-L141 HydrophobicContact CE1-CG 3.99Å
133G96.7Very high96.9Very high2 Ų270.9 Ų70.92%0.02135%0.351CS..  trans56.2-152179.500000113.1N30 T120N30-G133 WeakPolarHBondContact ND2-CA 3.36Å; T120-G133 PolarHBondContact OG1-N 2.97Å
134K96Very high96.9Very high97 Ų9767.4 Ų67.442%0.42234%0.336SS..  trans-144.6120.7179.9-161.7168.1167.9-1720111.6N30 R32 D116N30-K134 PolarHBondContact ND2-N 3.34Å; N30-K134 PolarHBondContact OD1-O 2.96Å; R32-K134 VanDerWaalsContact NH2-CD 3.3Å; R32-K134 VanDerWaalsContact NH2-NZ 3.12Å; D116-K134 HydrophobicContact CB-CB 4.08Å; D116-K134 HydrophobicContact CB-CD 4.17Å; D116-K134 VanDerWaalsContact OD1-CD 3.27Å; D116-K134 WeakPolarHBondContact OD1-CD 3.48Å; D116-K134 IonicContact OD1-NZ 2.9Å; D116-K134 PolarHBondContact OD1-NZ 3.08Å
135C96Very high96.9Very high24 Ų2466.9 Ų66.916%0.16233%0.332CS..  trans-158.4175.8179660000108.5T35 L37 Y137 C139T35-C135 WeakPolarHBondContact O-CB 3.26Å; L37-C135 PolarHBondContact N-SG 2.68Å; L37-C135 VanDerWaalsContact N-SG 3.42Å; C135-Y137 PolarHBondContact SG-O 3.33Å; C135-C139 HydrophobicContact CB-CB 4.03Å; C135-C139 WeakPolarHBondContact CB-SG 3.42Å; C135-C139 VanDerWaalsContact N-CB 3.29Å; C135-C139 PolarHBondContact N-SG 2.73Å; C135-C139 WeakPolarHBondContact SG-CB 3.09Å; C135-C139 CovalentContact SG-SG 2.02Å; C135-C139 PolarHBondContact SG-SG 3.32Å
136D93.7Very high96.9Very high125 Ų12562.4 Ų62.467%0.66830%0.303SS*.SBendtrans-73.5-36-176.6-64.9-20.8000112.3T35T35-D136 PolarHBondContact O-N 3.39Å
137Y93.2Very high96.9Very high95 Ų9559 Ų5937%0.37328%0.276SS..SBendtrans-119.2121.7-174.7-64.2-20.3000112.2T35 C135 C139T35-Y137 HydrophobicContact CG2-CD2 4.29Å; T35-Y137 HydrophobicContact CG2-CE2 4.08Å; T35-Y137 PolarHBondContact O-N 2.81Å; C135-Y137 PolarHBondContact SG-O 3.33Å; Y137-C139 VanDerWaalsContact C-N 3.27Å; Y137-C139 PolarHBondContact O-N 3.11Å
138Y95.7Very high96.8Very high50 Ų5057 Ų5720%0.19628%0.277CS..SBendtrans64.224.4168.4-41.7-63.7000115.5R55 T70 Y72 D140 H143R55-Y138 PolarHBondContact NH2-O 3.22Å; T70-Y138 PolarHBondContact O-OH 2.88Å; Y72-Y138 AromaticContact CD1-CD2 3.6Å; Y72-Y138 HydrophobicContact CD1-CD2 3.6Å; Y72-Y138 AromaticContact CD1-CE2 3.92Å; Y72-Y138 HydrophobicContact CD1-CE2 3.92Å; Y72-Y138 HydrophobicContact CD1-CG 4.13Å; Y72-Y138 AromaticContact CE1-CD1 3.76Å; Y72-Y138 HydrophobicContact CE1-CD1 3.76Å; Y72-Y138 AromaticContact CE1-CD2 3.2Å; Y72-Y138 HydrophobicContact CE1-CD2 3.2Å; Y72-Y138 HydrophobicContact CE1-CE1 4.13Å; Y72-Y138 AromaticContact CE1-CE2 3.63Å; Y72-Y138 HydrophobicContact CE1-CE2 3.63Å; Y72-Y138 AromaticContact CE1-CG 3.28Å; Y72-Y138 HydrophobicContact CE1-CG 3.28Å; Y72-Y138 AromaticContact CZ-CD1 3.88Å; Y72-Y138 AromaticContact CZ-CE1 3.96Å; Y72-Y138 AromaticContact CZ-CG 3.91Å; Y72-Y138 WeakPolarHBondContact OH-CD1 3.39Å; Y138-D140 PolarHBondContact O-N 2.69Å; Y138-H143 WeakPolarHBondContact O-CB 3.43Å
139C96.8Very high96.7Very high19 Ų1959.2 Ų59.213%0.12829%0.293CS..  trans-96.668.4168.7-75.20000110.7Y132 C135 Y137Y132-C139 WeakPolarHBondContact O-CA 3.41Å; Y132-C139 VanDerWaalsContact O-CB 3.28Å; Y132-C139 WeakPolarHBondContact O-CB 3.47Å; Y132-C139 PolarHBondContact O-SG 2.69Å; C135-C139 HydrophobicContact CB-CB 4.03Å; C135-C139 WeakPolarHBondContact CB-SG 3.42Å; C135-C139 VanDerWaalsContact N-CB 3.29Å; C135-C139 PolarHBondContact N-SG 2.73Å; C135-C139 WeakPolarHBondContact SG-CB 3.09Å; C135-C139 CovalentContact SG-SG 2.02Å; C135-C139 PolarHBondContact SG-SG 3.32Å; Y137-C139 VanDerWaalsContact C-N 3.27Å; Y137-C139 PolarHBondContact O-N 3.11Å
140D96.6Very high96.7Very high56 Ų5658.9 Ų58.930%0.29930%0.295SS..SBendtrans-146172.6-179.364.155.3000112Y132 Y138 R142 H143Y132-D140 WeakPolarHBondContact CB-O 3.46Å; Y138-D140 PolarHBondContact O-N 2.69Å; D140-R142 PolarHBondContact O-N 3.39Å; D140-R142 VanDerWaalsContact OD1-CA 3.27Å; D140-R142 WeakPolarHBondContact OD1-CA 3.36Å; D140-R142 WeakPolarHBondContact OD1-CB 3.5Å; D140-R142 PolarHBondContact OD1-N 3.07Å; D140-H143 VanDerWaalsContact CG-ND1 3.3Å; D140-H143 CarbonylContact O-C 3.48Å; D140-H143 PolarHBondContact O-N 3.05Å; D140-H143 VanDerWaalsContact O-N 3.11Å; D140-H143 IonicContact OD1-CE1 2.78Å; D140-H143 IonicContact OD1-CG 3.51Å; D140-H143 PolarHBondContact OD1-N 3.43Å; D140-H143 IonicContact OD1-ND1 3.95Å; D140-H143 PolarHBondContact OD1-ND1 2.62Å; D140-H143 IonicContact OD2-CE1 3.12Å; D140-H143 IonicContact OD2-ND1 3.45Å; D140-H143 PolarHBondContact OD2-ND1 3.07Å
141L95.5Very high96.7Very high114 Ų11463.4 Ų63.460%0.59732%0.318SS*.THydrogen-bonded Turntrans-64.7-16180-74.9172.9000114.7F122 Y132 P144F122-L141 HydrophobicContact CD1-CD2 4.18Å; F122-L141 HydrophobicContact CE1-CD2 3.95Å; F122-L141 HydrophobicContact CE2-CD2 4.5Å; F122-L141 HydrophobicContact CZ-CD2 4.11Å; Y132-L141 HydrophobicContact CD1-CD2 3.9Å; Y132-L141 HydrophobicContact CD1-CG 4.41Å; Y132-L141 HydrophobicContact CE1-CD2 3.53Å; Y132-L141 HydrophobicContact CE1-CG 3.99Å; L141-P144 WeakPolarHBondContact O-CD 3.43Å
142R96.5Very high96.7Very high225 Ų22564.1 Ų64.185%0.84932%0.322SS*.THydrogen-bonded Turntrans-85.8-21.9176.2-56.2178.8177.6-179.3-0.5111.6D140D140-R142 PolarHBondContact O-N 3.39Å; D140-R142 VanDerWaalsContact OD1-CA 3.27Å; D140-R142 WeakPolarHBondContact OD1-CA 3.36Å; D140-R142 WeakPolarHBondContact OD1-CB 3.5Å; D140-R142 PolarHBondContact OD1-N 3.07Å
143H97.5Very high96.7Very high54 Ų5462.8 Ų62.825%0.2532%0.318CS..SBendtrans-122.841.9-177.9-53102.6000113.6R55 Y72 Y138 D140R55-H143 PolarHBondContact NH1-O 3.32Å; R55-H143 PolarHBondContact NH2-O 3.49Å; Y72-H143 PolarHBondContact OH-CD2 2.7Å; Y72-H143 PolarHBondContact OH-NE2 3.37Å; Y138-H143 WeakPolarHBondContact O-CB 3.43Å; D140-H143 VanDerWaalsContact CG-ND1 3.3Å; D140-H143 CarbonylContact O-C 3.48Å; D140-H143 PolarHBondContact O-N 3.05Å; D140-H143 VanDerWaalsContact O-N 3.11Å; D140-H143 IonicContact OD1-CE1 2.78Å; D140-H143 IonicContact OD1-CG 3.51Å; D140-H143 PolarHBondContact OD1-N 3.43Å; D140-H143 IonicContact OD1-ND1 3.95Å; D140-H143 PolarHBondContact OD1-ND1 2.62Å; D140-H143 IonicContact OD2-CE1 3.12Å; D140-H143 IonicContact OD2-ND1 3.45Å; D140-H143 PolarHBondContact OD2-ND1 3.07Å
144P97.5Very high96.8Very high38 Ų3862.7 Ų62.725%0.24732%0.317CS..  trans-68.4157.5-176.134.2-38000111.5F122 C130 L141F122-P144 HydrophobicContact CE1-CB 3.83Å; F122-P144 HydrophobicContact CZ-CB 3.65Å; F122-P144 HydrophobicContact CZ-CG 3.97Å; C130-P144 HydrophobicContact CB-CB 4.37Å; L141-P144 WeakPolarHBondContact O-CD 3.43Å
145I98.2Very high96.9Very high5 Ų558.2 Ų58.23%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-93.4128.6163.2-57.9-56.7000107.5L37 P53 R55 C130 F131 I152L37-I145 HydrophobicContact CD2-CG1 3.8Å; P53-I145 HydrophobicContact CB-CB 4.5Å; P53-I145 HydrophobicContact CB-CD1 4.34Å; P53-I145 HydrophobicContact CB-CG1 4.15Å; P53-I145 HydrophobicContact CB-CG2 3.66Å; P53-I145 HydrophobicContact CG-CD1 4.04Å; P53-I145 HydrophobicContact CG-CG1 3.75Å; P53-I145 HydrophobicContact CG-CG2 4.21Å; R55-I145 HydrophobicContact CB-CD1 4.28Å; R55-I145 HydrophobicContact CG-CD1 4.41Å; C130-I145 CarbonylContact C-O 3.53Å; C130-I145 WeakPolarHBondContact CA-O 3.29Å; C130-I145 WeakPolarHBondContact CB-O 3.33Å; F131-I145 HydrophobicContact CD1-CB 4.36Å; F131-I145 HydrophobicContact CD1-CG2 4.46Å; F131-I145 HydrophobicContact CE1-CB 3.96Å; F131-I145 HydrophobicContact CE1-CG2 3.65Å; F131-I145 HydrophobicContact CE2-CB 4.21Å; F131-I145 HydrophobicContact CE2-CG2 4.4Å; F131-I145 HydrophobicContact CZ-CB 3.89Å; F131-I145 HydrophobicContact CZ-CG2 3.62Å; F131-I145 PolarHBondContact N-O 3.31Å; F131-I145 PolarHBondContact O-N 3.35Å; I145-I152 HydrophobicContact CG2-CD1 4.17Å; I145-I152 HydrophobicContact CG2-CG1 3.74Å
146C97.9Very high97Very high40 Ų4057 Ų5727%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-131.1135.4-175.8-68.80000111N128 C130N128-C146 HydrophobicContact CB-CB 4.48Å; C130-C146 HydrophobicContact CB-CB 4.09Å; C130-C146 WeakPolarHBondContact CB-SG 3.21Å; C130-C146 WeakPolarHBondContact SG-CB 3.28Å; C130-C146 CovalentContact SG-SG 2.04Å; C130-C146 PolarHBondContact SG-SG 2.78Å
147G97.5Very high97.2Very high1 Ų152.2 Ų52.21%0.0126%0.263CS..  trans-74.4178.3169.900000112.9N128 R129 P149 L151N128-G147 VanDerWaalsContact CB-O 3.3Å; N128-G147 WeakPolarHBondContact CB-O 3.45Å; N128-G147 VanDerWaalsContact CG-O 3.24Å; N128-G147 PolarHBondContact ND2-O 3.48Å; R129-G147 PolarHBondContact O-N 3.16Å; G147-P149 VanDerWaalsContact C-C 3.44Å; G147-P149 CarbonylContact C-O 3.46Å; G147-L151 WeakPolarHBondContact CA-O 3.5Å
148T96.4Very high97.5Very high118 Ų11849.4 Ų49.472%0.72426%0.256SS*.SBendtrans-133.988.5173.1-47.50000112.1L151T148-L151 PolarHBondContact N-O 2.84Å; T148-L151 VanDerWaalsContact N-O 3.11Å
149P96.8Very high97.5Very high83 Ų8348.4 Ų48.454%0.53926%0.256SS..SBendcis-76.3-23-12.832.2-34000112.8N128 R129 G147N128-P149 CarbonylContact C-O 3.53Å; N128-P149 VanDerWaalsContact CA-O 3.3Å; N128-P149 WeakPolarHBondContact CA-O 3.43Å; N128-P149 WeakPolarHBondContact OD1-CA 3.31Å; R129-P149 PolarHBondContact N-O 2.98Å; G147-P149 VanDerWaalsContact C-C 3.44Å; G147-P149 CarbonylContact C-O 3.46Å
150D98.3Very high97.4Very high37 Ų3749.2 Ų49.220%0.19826%0.259CS..SBendtrans-138-3-166.8-166.737.1000113.6N102 V103 S104 R129N102-D150 CarbonylContact C-O 3.54Å; N102-D150 WeakPolarHBondContact CA-O 3.46Å; N102-D150 PolarHBondContact ND2-OD2 2.77Å; N102-D150 PolarHBondContact OD1-OD2 3.49Å; V103-D150 WeakPolarHBondContact CG2-O 3.22Å; V103-D150 PolarHBondContact N-O 3.24Å; S104-D150 PolarHBondContact N-OD1 3.24Å; S104-D150 PolarHBondContact OG-OD1 2.9Å; S104-D150 PolarHBondContact OG-OD2 2.74Å; R129-D150 HydrophobicContact CB-CB 4.46Å; R129-D150 WeakPolarHBondContact CB-OD1 3.37Å; R129-D150 WeakPolarHBondContact CG-OD1 3.08Å
151L98Very high97.2Very high95 Ų9548.6 Ų48.650%0.49726%0.258SS..EExtended strand (participates in β ladder)trans-98.8133.9171-71.2170.5000109.8V101 N102 G147 T148V101-L151 WeakPolarHBondContact O-CA 3.32Å; N102-L151 HydrophobicContact CB-CD2 4Å; G147-L151 WeakPolarHBondContact CA-O 3.5Å; T148-L151 PolarHBondContact N-O 2.84Å; T148-L151 VanDerWaalsContact N-O 3.11Å
152I97.8Very high97Very high15 Ų1547.7 Ų47.78%0.07725%0.254CS..EExtended strand (participates in β ladder)trans-126.8134.4171.9-172.157.5000109.9F51 M54 K100 V101 V103 F131 I145F51-I152 HydrophobicContact CZ-CG2 4.41Å; M54-I152 HydrophobicContact CB-CD1 4.15Å; K100-I152 CarbonylContact C-O 3.6Å; K100-I152 WeakPolarHBondContact CA-O 3.4Å; V101-I152 HydrophobicContact CG2-CG2 3.55Å; V101-I152 PolarHBondContact N-O 3.43Å; V101-I152 PolarHBondContact O-N 2.86Å; V103-I152 HydrophobicContact CG2-CB 4.12Å; V103-I152 HydrophobicContact CG2-CG2 3.62Å; F131-I152 HydrophobicContact CE1-CG2 4.37Å; I145-I152 HydrophobicContact CG2-CD1 4.17Å; I145-I152 HydrophobicContact CG2-CG1 3.74Å
153E98.3Very high96.8Very high26 Ų2641.5 Ų41.512%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-80.1151.1171.7-168.7-18096.100110.4M54 R58 H75 R99 K100 A305M54-E153 HydrophobicContact CB-CB 4.21Å; M54-E153 WeakPolarHBondContact CB-O 3.44Å; M54-E153 PolarHBondContact N-O 3.32Å; M54-E153 HydrophobicContact SD-CB 4.07Å; R58-E153 IonicContact CZ-OE1 2.73Å; R58-E153 IonicContact NH1-OE1 3.94Å; R58-E153 PolarHBondContact NH1-OE1 2.84Å; R58-E153 VanDerWaalsContact NH1-OE1 3.12Å; R58-E153 IonicContact NH2-OE1 3.56Å; R58-E153 PolarHBondContact NH2-OE1 3.11Å; H75-E153 IonicContact CD2-OE1 2.97Å; H75-E153 IonicContact CE1-OE1 3.86Å; H75-E153 PolarHBondContact CE1-OE1 3.41Å; H75-E153 IonicContact NE2-OE1 3.7Å; H75-E153 PolarHBondContact NE2-OE1 3.21Å; R99-E153 CarbonylContact O-C 3.4Å; K100-E153 HydrophobicContact CG-CB 4.14Å; K100-E153 HydrophobicContact CG-CG 4.29Å; E153-A305 HydrophobicContact CG-CB 4.25Å
154G98.3Very high96.5Very high0 Ų046.2 Ų46.20%026%0.261CS..EExtended strand (participates in β ladder)trans-162.6175.8167.900000111.4F51 K52 H75 R99F51-G154 VanDerWaalsContact CE2-CA 3.43Å; K52-G154 CarbonylContact O-C 3.5Å; K52-G154 WeakPolarHBondContact O-CA 3.21Å; H75-G154 VanDerWaalsContact CD2-C 3.42Å; H75-G154 VanDerWaalsContact CD2-CA 3.49Å; H75-G154 WeakPolarHBondContact CD2-CA 3.38Å; R99-G154 PolarHBondContact N-O 3.33Å; R99-G154 PolarHBondContact O-N 3.48Å
155S98.6Very high96.2Very high2 Ų251.2 Ų51.21%0.01429%0.285CS..EExtended strand (participates in β ladder)trans-91.7135.2172.659.90000108.5F51 K52 H75 V97F51-S155 CarbonylContact C-O 3.49Å; F51-S155 VanDerWaalsContact CA-O 3.24Å; F51-S155 WeakPolarHBondContact CA-O 3.49Å; K52-S155 PolarHBondContact N-O 2.88Å; K52-S155 PolarHBondContact O-N 2.68Å; H75-S155 VanDerWaalsContact O-CB 3.27Å; H75-S155 WeakPolarHBondContact O-CB 3.42Å; V97-S155 CarbonylContact O-C 3.47Å; V97-S155 WeakPolarHBondContact O-CA 3.37Å
156L98.4Very high95.9Very high0 Ų052 Ų520%029%0.29CS..EExtended strand (participates in β ladder)trans-117.8110.4175.2-168.465.6000108.6L20 L41 F43 A49 I50 F51 T96 V97 R99L20-L156 HydrophobicContact CB-CD2 4.01Å; L20-L156 HydrophobicContact CD2-CD2 4.14Å; L20-L156 HydrophobicContact CD2-CG 4.25Å; L20-L156 WeakPolarHBondContact O-CD2 3.24Å; L41-L156 HydrophobicContact CB-CD1 4.41Å; L41-L156 HydrophobicContact CD1-CD1 3.63Å; L41-L156 HydrophobicContact CG-CD1 4.04Å; F43-L156 HydrophobicContact CZ-CD2 3.85Å; A49-L156 HydrophobicContact CB-CD1 3.5Å; A49-L156 VanDerWaalsContact CB-CD1 3.5Å; A49-L156 HydrophobicContact CB-CD2 4.35Å; A49-L156 HydrophobicContact CB-CG 3.66Å; I50-L156 WeakPolarHBondContact O-CA 3.39Å; F51-L156 HydrophobicContact CB-CD1 3.92Å; F51-L156 HydrophobicContact CD2-CD1 4.38Å; T96-L156 WeakPolarHBondContact CA-O 3.38Å; V97-L156 HydrophobicContact CG1-CB 4.08Å; V97-L156 PolarHBondContact N-O 2.83Å; V97-L156 PolarHBondContact O-N 3.09Å; R99-L156 HydrophobicContact CB-CB 4.43Å
157Q98.6Very high95.7Very high24 Ų2452.7 Ų52.711%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-107.4129.7-178.4179.2172.89600109.6A49 I50 L94 P95 T96 S159A49-Q157 CarbonylContact C-O 3.58Å; A49-Q157 WeakPolarHBondContact CA-O 3.35Å; A49-Q157 WeakPolarHBondContact CB-O 3.31Å; I50-Q157 PolarHBondContact N-O 3.18Å; I50-Q157 PolarHBondContact O-N 3.32Å; L94-Q157 HydrophobicContact CB-CG 3.66Å; L94-Q157 HydrophobicContact CD1-CG 4.2Å; P95-Q157 WeakPolarHBondContact O-CA 3.47Å; T96-Q157 HydrophobicContact CG2-CB 4.06Å; T96-Q157 WeakPolarHBondContact OG1-CG 3.35Å; T96-Q157 PolarHBondContact OG1-NE2 2.98Å; Q157-S159 PolarHBondContact O-N 3.4Å
158V97.7Very high95.6Very high35 Ų3556.2 Ų56.221%0.21231%0.307CS..EExtended strand (participates in β ladder)trans-55.4135.1176.265.70000110.3I16 L20 L94 P95I16-V158 HydrophobicContact CG2-CB 4.17Å; I16-V158 HydrophobicContact CG2-CG1 4.48Å; I16-V158 HydrophobicContact CG2-CG2 4.33Å; L20-V158 HydrophobicContact CD1-CB 4.22Å; L94-V158 HydrophobicContact CB-CG1 4.33Å; L94-V158 HydrophobicContact CD2-CG1 4.27Å; P95-V158 HydrophobicContact CB-CG1 3.93Å; P95-V158 HydrophobicContact CG-CG1 4.02Å; P95-V158 PolarHBondContact O-N 3.42Å
159S96.5Very high95.4Very high29 Ų2951.1 Ų51.120%0.20328%0.279CS..PPolyproline II helixtrans-65.3148.4177-68.40000111.1S48 A49 Q157S48-S159 WeakPolarHBondContact O-CB 3.39Å; S48-S159 PolarHBondContact O-N 3.19Å; S48-S159 PolarHBondContact O-OG 3.03Å; S48-S159 WeakPolarHBondContact OG-CB 3.44Å; S48-S159 PolarHBondContact OG-OG 3.45Å; A49-S159 PolarHBondContact N-OG 2.96Å; Q157-S159 PolarHBondContact O-N 3.4Å
160L94.9Very high95.3Very high37 Ų3754 Ų5419%0.19429%0.285CS..PPolyproline II helixtrans-60.9154.2165.1-72.5163.3000110F6 L94 F235 M246 L248F6-L160 HydrophobicContact CE1-CD2 3.64Å; F6-L160 HydrophobicContact CZ-CD2 3.83Å; L94-L160 HydrophobicContact CD1-CD1 4.49Å; L94-L160 HydrophobicContact CD1-CD2 3.83Å; L94-L160 HydrophobicContact CD1-CG 3.8Å; L94-L160 HydrophobicContact CD2-CD2 4.02Å; L94-L160 HydrophobicContact CG-CD2 4.4Å; L160-F235 HydrophobicContact CD2-CE1 4.16Å; L160-F235 HydrophobicContact CD2-CZ 3.8Å; L160-M246 HydrophobicContact CD2-SD 4.05Å; L160-L248 HydrophobicContact CD1-CD1 3.95Å
161P92.5Very high95.1Very high42 Ų4254 Ų5427%0.27328%0.284SS..PPolyproline II helixtrans-55.5157.7169.8-17.828.7000111.2M1 E163 V166M1-P161 HydrophobicContact CE-CG 3.79Å; M1-P161 HydrophobicContact SD-CG 4.2Å; P161-E163 PolarHBondContact O-N 3.35Å; P161-V166 HydrophobicContact CB-CB 3.99Å; P161-V166 HydrophobicContact CB-CG2 3.65Å; P161-V166 HydrophobicContact CG-CB 4.4Å; P161-V166 HydrophobicContact CG-CG2 4.12Å
162D91.2Very high95Very high96 Ų9656.9 Ų56.951%0.51329%0.288SS..PPolyproline II helixtrans-53.6133.8174-161.2-44.9000110.6D164 L165 V166D162-D164 PolarHBondContact O-N 2.87Å; D162-D164 PolarHBondContact OD1-N 3.46Å; D162-L165 HydrophobicContact CB-CB 4.44Å; D162-L165 HydrophobicContact CB-CD1 4.16Å; D162-L165 HydrophobicContact CB-CG 4.23Å; D162-L165 PolarHBondContact O-N 3.24Å; D162-L165 VanDerWaalsContact O-N 3.08Å; D162-V166 PolarHBondContact O-N 3.12Å
163E91.5Very high95Very high94 Ų9456.3 Ų56.344%0.43929%0.286SS..THydrogen-bonded Turntrans-68.3-26.3-177-169.8164.8-175.200112.2P161 L165 V166 P167 R168P161-E163 PolarHBondContact O-N 3.35Å; E163-L165 PolarHBondContact O-N 2.8Å; E163-V166 CarbonylContact O-C 3.57Å; E163-P167 WeakPolarHBondContact O-CA 3.3Å; E163-R168 IonicContact OE2-CZ 3.03Å; E163-R168 IonicContact OE2-NE 2.64Å; E163-R168 IonicContact OE2-NH2 3.22Å; E163-R168 PolarHBondContact OE2-NH2 2.95Å
164D91.5Very high95Very high153 Ų15356 Ų5682%0.81829%0.286SS*.THydrogen-bonded Turntrans-67.3-26.9173.2-73.4-18.1000111.8D162D162-D164 PolarHBondContact O-N 2.87Å; D162-D164 PolarHBondContact OD1-N 3.46Å
165L91.7Very high95Very high143 Ų14356.8 Ų56.875%0.74929%0.289SS*.THydrogen-bonded Turntrans-95-39.2178.9-62.6177.5000112.2D162 E163D162-L165 HydrophobicContact CB-CB 4.44Å; D162-L165 HydrophobicContact CB-CD1 4.16Å; D162-L165 HydrophobicContact CB-CG 4.23Å; D162-L165 PolarHBondContact O-N 3.24Å; D162-L165 VanDerWaalsContact O-N 3.08Å; E163-L165 PolarHBondContact O-N 2.8Å
166V92.8Very high95Very high22 Ų2259.6 Ų59.613%0.13330%0.3CS..SBendtrans-130.786.7-177.2-169.20000108.4P161 D162 E163 F235 M237P161-V166 HydrophobicContact CB-CB 3.99Å; P161-V166 HydrophobicContact CB-CG2 3.65Å; P161-V166 HydrophobicContact CG-CB 4.4Å; P161-V166 HydrophobicContact CG-CG2 4.12Å; D162-V166 PolarHBondContact O-N 3.12Å; E163-V166 CarbonylContact O-C 3.57Å; V166-F235 HydrophobicContact CG1-CD1 3.45Å; V166-F235 VanDerWaalsContact CG1-CD1 3.45Å; V166-F235 HydrophobicContact CG1-CE1 3.64Å; V166-F235 HydrophobicContact CG1-CG 4.17Å; V166-F235 HydrophobicContact CG1-CZ 4.47Å; V166-M237 HydrophobicContact CG1-CG 3.92Å; V166-M237 HydrophobicContact CG1-SD 3.82Å
167P93.5Very high95Very high55 Ų5560.6 Ų60.636%0.35730%0.303SS..  trans-63.3143-174.725.1-34.5000111.1E163 N236E163-P167 WeakPolarHBondContact O-CA 3.3Å; P167-N236 PolarHBondContact O-N 3.2Å
168R94.1Very high94.9Very high74 Ų7461.1 Ų61.128%0.27931%0.308SS..EExtended strand (participates in β ladder)trans-110.8149.6177.6-68.6175.5-65.7139.12.1110.1E163 E233 F234 F235 M246E163-R168 IonicContact OE2-CZ 3.03Å; E163-R168 IonicContact OE2-NE 2.64Å; E163-R168 IonicContact OE2-NH2 3.22Å; E163-R168 PolarHBondContact OE2-NH2 2.95Å; R168-E233 IonicContact NH1-OE2 3.32Å; R168-F234 CarbonylContact C-O 3.1Å; R168-F234 WeakPolarHBondContact CA-O 3.29Å; R168-F235 HydrophobicContact CG-CD1 3.96Å; R168-F235 HydrophobicContact CG-CE1 4.18Å; R168-M246 HydrophobicContact CG-CE 4.32Å
169G92.9Very high94.9Very high12 Ų1262.1 Ų62.112%0.12431%0.308CS..EExtended strand (participates in β ladder)trans-117.6153.2169.300000110E233 F234G169-E233 WeakPolarHBondContact O-CA 3.3Å; G169-F234 PolarHBondContact N-O 2.98Å; G169-F234 PolarHBondContact O-N 2.9Å
170H93.6Very high94.8Very high143 Ų14362.2 Ų62.266%0.66231%0.309SS*.EExtended strand (participates in β ladder)trans-127.9134.1174.453.6-89.5000109.3L232H170-L232 WeakPolarHBondContact CA-O 3.21Å
171I94.1Very high94.8Very high38 Ų3864.7 Ų64.720%0.19533%0.326CS..EExtended strand (participates in β ladder)trans-116.5129.5171-73.2160.5000107.4S173 A204 F205 H231 L232 F234I171-S173 PolarHBondContact O-N 2.97Å; I171-A204 HydrophobicContact CD1-CB 3.93Å; I171-F205 HydrophobicContact CG2-CE2 4.16Å; I171-F205 HydrophobicContact CG2-CZ 3.98Å; I171-H231 CarbonylContact O-C 3.56Å; I171-H231 WeakPolarHBondContact O-CA 3.35Å; I171-L232 PolarHBondContact N-O 3.18Å; I171-L232 PolarHBondContact O-N 2.88Å; I171-F234 HydrophobicContact CB-CE1 4.14Å; I171-F234 HydrophobicContact CD1-CD1 4.31Å; I171-F234 HydrophobicContact CD1-CE1 3.37Å; I171-F234 HydrophobicContact CD1-CZ 3.73Å; I171-F234 HydrophobicContact CG1-CE1 3.53Å; I171-F234 HydrophobicContact CG1-CZ 3.89Å
172R96.4Very high94.9Very high154 Ų15473 Ų7358%0.58135%0.352SS*.EExtended strand (participates in β ladder)trans-61122.5168.1-172.6176.4-177.4-93.13.1108.6
173S97.9Very high95.2Very high3 Ų373.9 Ų73.92%0.02136%0.356CS..  trans-57.4130.9179.3176.10000109.3I171 Y175 R176 R229 H230I171-S173 PolarHBondContact O-N 2.97Å; S173-Y175 PolarHBondContact O-N 2.84Å; S173-Y175 PolarHBondContact OG-N 3.1Å; S173-R176 WeakPolarHBondContact O-CB 3.48Å; S173-R176 PolarHBondContact O-N 3.4Å; S173-R229 WeakPolarHBondContact CB-O 3.34Å; S173-H230 PolarHBondContact N-O 3.08Å
174P98.2Very high95.3Very high20 Ų2074.1 Ų74.113%0.1336%0.358CS..THydrogen-bonded Turntrans-64.8-21.8173.724.7-30.2000111.8R176 F194 V199 L202 F205 L214P174-R176 VanDerWaalsContact C-N 3.35Å; P174-F194 HydrophobicContact CB-CE1 4.38Å; P174-F194 WeakPolarHBondContact O-CZ 3.42Å; P174-V199 HydrophobicContact CB-CG2 3.86Å; P174-V199 HydrophobicContact CG-CG1 4.03Å; P174-V199 HydrophobicContact CG-CG2 4.15Å; P174-L202 HydrophobicContact CB-CD1 4.41Å; P174-F205 HydrophobicContact CG-CD2 4.48Å; P174-F205 HydrophobicContact CG-CE2 3.85Å; P174-F205 HydrophobicContact CG-CZ 4.08Å; P174-L214 HydrophobicContact CG-CD2 3.88Å
175Y98.6Very high95.6Very high17 Ų1772.5 Ų72.57%0.06735%0.348CS..THydrogen-bonded Turntrans-96.922173.4-66.3-91.6000112.6S173 R177 W188 F194 C195 V199 L214 L266 P267 Q270 C271S173-Y175 PolarHBondContact O-N 2.84Å; S173-Y175 PolarHBondContact OG-N 3.1Å; Y175-R177 PolarHBondContact O-N 3.07Å; Y175-W188 VanDerWaalsContact C-NE1 3.31Å; Y175-W188 HydrophobicContact CD1-CB 3.73Å; Y175-W188 AromaticContact CD1-CD2 3.79Å; Y175-W188 HydrophobicContact CD1-CD2 3.79Å; Y175-W188 AromaticContact CD1-CE3 3.89Å; Y175-W188 HydrophobicContact CD1-CE3 3.89Å; Y175-W188 AromaticContact CD1-CG 3.72Å; Y175-W188 HydrophobicContact CD1-CG 3.72Å; Y175-W188 HydrophobicContact CE1-CB 3.91Å; Y175-W188 HydrophobicContact CE1-CG 4.4Å; Y175-W188 HydrophobicContact CG-CG 4.44Å; Y175-W188 VanDerWaalsContact O-CE2 3.32Å; Y175-W188 VanDerWaalsContact O-CZ2 3.23Å; Y175-W188 WeakPolarHBondContact O-CZ2 3.35Å; Y175-W188 PolarHBondContact O-NE1 3.23Å; Y175-F194 HydrophobicContact CE1-CD1 4.03Å; Y175-F194 HydrophobicContact CE1-CE1 4.37Å; Y175-C195 WeakPolarHBondContact OH-CB 3.45Å; Y175-V199 HydrophobicContact CE2-CG2 3.85Å; Y175-L214 HydrophobicContact CD2-CD1 4.33Å; Y175-L214 HydrophobicContact CD2-CD2 3.95Å; Y175-L214 HydrophobicContact CE2-CD2 3.9Å; Y175-L266 HydrophobicContact CE1-CB 4.47Å; Y175-P267 HydrophobicContact CD1-CG 3.8Å; Y175-P267 HydrophobicContact CD2-CB 4.03Å; Y175-P267 HydrophobicContact CD2-CG 3.66Å; Y175-P267 HydrophobicContact CE1-CB 4.31Å; Y175-P267 HydrophobicContact CE1-CG 3.95Å; Y175-P267 HydrophobicContact CE2-CB 3.7Å; Y175-P267 HydrophobicContact CE2-CG 3.81Å; Y175-P267 HydrophobicContact CG-CB 4.46Å; Y175-P267 HydrophobicContact CG-CG 3.65Å; Y175-Q270 PolarHBondContact OH-OE1 2.87Å; Y175-C271 PolarHBondContact OH-SG 3.05Å
176R98.4Very high95.9Very high61 Ų6166.3 Ų66.323%0.2332%0.318CS..  trans-59.5126.9173.4-177-177.1173.8-77.15.6109S173 P174 Y179 W188 H230S173-R176 WeakPolarHBondContact O-CB 3.48Å; S173-R176 PolarHBondContact O-N 3.4Å; P174-R176 VanDerWaalsContact C-N 3.35Å; R176-Y179 HydrophobicContact CG-CD2 4.31Å; R176-Y179 HydrophobicContact CG-CE2 3.84Å; R176-W188 PolarHBondContact O-NE1 2.87Å; R176-H230 HydrophobicContact CG-CB 3.68Å
177R98.3Very high96.2Very high21 Ų2170.2 Ų70.28%0.07933%0.334CS..  trans-61.2173170.8-68.1-177.7168.8-80.56.7111.8Y68 Y175 Y179 W188 D261 D263Y68-R177 HydrophobicContact CD2-CB 4.49Å; Y68-R177 HydrophobicContact CE1-CB 4.3Å; Y68-R177 VanDerWaalsContact CE1-CD 3.5Å; Y68-R177 HydrophobicContact CE1-CG 4.46Å; Y68-R177 HydrophobicContact CE2-CB 3.6Å; Y68-R177 HydrophobicContact CE2-CG 4.27Å; Y68-R177 WeakPolarHBondContact OH-CB 3.45Å; Y175-R177 PolarHBondContact O-N 3.07Å; R177-Y179 HydrophobicContact CB-CD2 4.42Å; R177-Y179 HydrophobicContact CB-CE2 4.07Å; R177-Y179 VanDerWaalsContact O-CD2 3.25Å; R177-Y179 WeakPolarHBondContact O-CD2 3.46Å; R177-W188 HydrophobicContact CB-CZ2 4.27Å; R177-W188 HydrophobicContact CG-CH2 3.88Å; R177-W188 HydrophobicContact CG-CZ2 3.55Å; R177-D261 IonicContact CZ-OD2 3.17Å; R177-D261 IonicContact NH2-OD1 3.65Å; R177-D261 IonicContact NH2-OD2 3.87Å; R177-D261 PolarHBondContact NH2-OD2 3.42Å; R177-D263 IonicContact CZ-OD2 3.97Å; R177-D263 IonicContact NH1-OD2 2.8Å; R177-D263 PolarHBondContact NH1-OD2 3.3Å; R177-D263 IonicContact NH2-OD2 2.71Å; R177-D263 PolarHBondContact NH2-OD2 2.66Å
178T97.7Very high96.4Very high35 Ų3568 Ų6822%0.21532%0.319CS..  trans-75.4-32.8-173.560.60000113.7Y68 S180 D183 A186Y68-T178 PolarHBondContact OH-N 3.07Å; Y68-T178 PolarHBondContact OH-OG1 2.93Å; T178-S180 PolarHBondContact O-N 3.16Å; T178-S180 PolarHBondContact OG1-N 3.2Å; T178-D183 WeakPolarHBondContact CB-O 3.06Å; T178-D183 WeakPolarHBondContact CG2-O 3.33Å; T178-D183 PolarHBondContact OG1-O 3.3Å; T178-A186 HydrophobicContact CG2-CB 3.84Å
179Y96.1Very high96.6Very high55 Ų5566 Ų6622%0.21631%0.313CS..  trans57.538-170.4-63.5-106000111.8Y68 F69 R176 R177 D228 H230Y68-Y179 HydrophobicContact CD2-CE1 4.19Å; Y68-Y179 HydrophobicContact CE2-CD1 4.16Å; Y68-Y179 HydrophobicContact CE2-CD2 4.1Å; Y68-Y179 HydrophobicContact CE2-CE1 4.06Å; Y68-Y179 AromaticContact CE2-CE2 4Å; Y68-Y179 HydrophobicContact CE2-CE2 4Å; Y68-Y179 HydrophobicContact CE2-CG 4.13Å; Y68-Y179 AromaticContact CE2-CZ 3.93Å; Y68-Y179 PolarHBondContact OH-N 2.97Å; F69-Y179 HydrophobicContact CB-CD1 3.49Å; F69-Y179 VanDerWaalsContact CB-CD1 3.49Å; F69-Y179 HydrophobicContact CB-CE1 3.82Å; F69-Y179 HydrophobicContact CB-CG 4.48Å; F69-Y179 HydrophobicContact CD1-CD1 4.3Å; F69-Y179 HydrophobicContact CG-CD1 4.18Å; R176-Y179 HydrophobicContact CG-CD2 4.31Å; R176-Y179 HydrophobicContact CG-CE2 3.84Å; R177-Y179 HydrophobicContact CB-CD2 4.42Å; R177-Y179 HydrophobicContact CB-CE2 4.07Å; R177-Y179 VanDerWaalsContact O-CD2 3.25Å; R177-Y179 WeakPolarHBondContact O-CD2 3.46Å; Y179-D228 WeakPolarHBondContact CE1-OD1 3.41Å; Y179-D228 PolarHBondContact OH-OD1 3.03Å; Y179-H230 HydrophobicContact CE2-CB 3.9Å; Y179-H230 AromaticContact CZ-CD2 3.75Å; Y179-H230 WeakPolarHBondContact OH-CB 3.38Å; Y179-H230 PolarHBondContact OH-CD2 3.08Å
180S96.1Very high96.8Very high32 Ų3269.9 Ų69.922%0.22433%0.334CS..  trans-130.2135.5179.71780000110.3T178 R182 D183T178-S180 PolarHBondContact O-N 3.16Å; T178-S180 PolarHBondContact OG1-N 3.2Å; S180-R182 PolarHBondContact OG-N 2.87Å; S180-D183 PolarHBondContact OG-N 3.33Å; S180-D183 VanDerWaalsContact OG-N 3.11Å
181V94Very high97.1Very high88 Ų8864.5 Ų64.553%0.53331%0.31SS..SBendtrans-73.2-19.3171.9-61.40000112.4F67 F69 Q184F67-V181 HydrophobicContact CD2-CG1 4.08Å; F67-V181 HydrophobicContact CE2-CB 4.19Å; F67-V181 HydrophobicContact CE2-CG1 3.73Å; F67-V181 HydrophobicContact CZ-CB 4.3Å; F67-V181 HydrophobicContact CZ-CG1 4.28Å; F69-V181 HydrophobicContact CE2-CG1 4.29Å; F69-V181 HydrophobicContact CZ-CG1 3.76Å; V181-Q184 PolarHBondContact O-NE2 3.33Å
182R95.5Very high97.2Very high217 Ų21767.3 Ų67.382%0.81933%0.331SS*.SBendtrans-96-53.4-177.4-63.8-175.4-179.5178.9-0.1111.7S180S180-R182 PolarHBondContact OG-N 2.87Å
183D95.6Very high97.2Very high114 Ų11464.2 Ų64.261%0.6133%0.326SS*.  trans-100.788.6-177.1-53.2-58.1000108.2T178 S180T178-D183 WeakPolarHBondContact CB-O 3.06Å; T178-D183 WeakPolarHBondContact CG2-O 3.33Å; T178-D183 PolarHBondContact OG1-O 3.3Å; S180-D183 PolarHBondContact OG-N 3.33Å; S180-D183 VanDerWaalsContact OG-N 3.11Å
184Q95.6Very high97.3Very high100 Ų10064.9 Ų64.947%0.46733%0.328SS..  trans-91.7-11.8-168.3-62.2-179.17.600114.1F67 V181 Q189F67-Q184 HydrophobicContact CE1-CG 4.19Å; V181-Q184 PolarHBondContact O-NE2 3.33Å; Q184-Q189 PolarHBondContact O-OE1 3.14Å
185L97.2Very high97.3Very high118 Ų11863.9 Ų63.962%0.61832%0.322SS*.  trans-108.7117.9179.8-62.8175.8000110Q189 V190L185-Q189 HydrophobicContact CD2-CB 4.26Å; L185-V190 HydrophobicContact CB-CG1 4.11Å; L185-V190 HydrophobicContact CD1-CG1 4.05Å
186A98Very high97.2Very high14 Ų1467.1 Ų67.112%0.11634%0.338CS..  trans-80162.6168.800000110.7T178 W188 Q189T178-A186 HydrophobicContact CG2-CB 3.84Å; A186-W188 VanDerWaalsContact C-N 3.26Å; A186-W188 HydrophobicContact CB-CD2 4.31Å; A186-W188 HydrophobicContact CB-CG 4.26Å; A186-W188 HydrophobicContact CB-CZ2 4.25Å; A186-W188 PolarHBondContact O-N 3.16Å; A186-Q189 WeakPolarHBondContact O-CB 3.31Å; A186-Q189 PolarHBondContact O-N 3.5Å
187E98Very high97.1Very high103 Ų10368 Ų6848%0.48135%0.345SS..Hα-helixtrans-54.6-41.7-179.6-170-171.5156.400112.7Q189 V190 N191 F194 N198E187-Q189 PolarHBondContact O-N 3.47Å; E187-V190 VanDerWaalsContact O-CG2 3.31Å; E187-V190 WeakPolarHBondContact O-CG2 3.34Å; E187-V190 PolarHBondContact O-N 2.72Å; E187-V190 VanDerWaalsContact O-N 3.11Å; E187-N191 HydrophobicContact CG-CB 4.39Å; E187-N191 WeakPolarHBondContact O-CB 3.28Å; E187-N191 PolarHBondContact O-N 2.92Å; E187-F194 HydrophobicContact CB-CD2 4.21Å; E187-F194 HydrophobicContact CB-CE2 4.09Å; E187-F194 HydrophobicContact CG-CD2 3.91Å; E187-F194 HydrophobicContact CG-CE2 4.13Å; E187-N198 PolarHBondContact OE1-ND2 3.36Å; E187-N198 VanDerWaalsContact OE1-ND2 3.08Å
188W98.5Very high97Very high8 Ų869.8 Ų69.83%0.0336%0.355CS..Hα-helixtrans-67.4-17.517958.6-100.4000114.1Y175 R176 R177 A186 F194 D263 L266 Q270Y175-W188 VanDerWaalsContact C-NE1 3.31Å; Y175-W188 HydrophobicContact CD1-CB 3.73Å; Y175-W188 AromaticContact CD1-CD2 3.79Å; Y175-W188 HydrophobicContact CD1-CD2 3.79Å; Y175-W188 AromaticContact CD1-CE3 3.89Å; Y175-W188 HydrophobicContact CD1-CE3 3.89Å; Y175-W188 AromaticContact CD1-CG 3.72Å; Y175-W188 HydrophobicContact CD1-CG 3.72Å; Y175-W188 HydrophobicContact CE1-CB 3.91Å; Y175-W188 HydrophobicContact CE1-CG 4.4Å; Y175-W188 HydrophobicContact CG-CG 4.44Å; Y175-W188 VanDerWaalsContact O-CE2 3.32Å; Y175-W188 VanDerWaalsContact O-CZ2 3.23Å; Y175-W188 WeakPolarHBondContact O-CZ2 3.35Å; Y175-W188 PolarHBondContact O-NE1 3.23Å; R176-W188 PolarHBondContact O-NE1 2.87Å; R177-W188 HydrophobicContact CB-CZ2 4.27Å; R177-W188 HydrophobicContact CG-CH2 3.88Å; R177-W188 HydrophobicContact CG-CZ2 3.55Å; A186-W188 VanDerWaalsContact C-N 3.26Å; A186-W188 HydrophobicContact CB-CD2 4.31Å; A186-W188 HydrophobicContact CB-CG 4.26Å; A186-W188 HydrophobicContact CB-CZ2 4.25Å; A186-W188 PolarHBondContact O-N 3.16Å; W188-F194 HydrophobicContact CB-CB 4.26Å; W188-F194 HydrophobicContact CB-CD1 3.44Å; W188-F194 VanDerWaalsContact CB-CD1 3.44Å; W188-F194 HydrophobicContact CB-CD2 4.03Å; W188-F194 HydrophobicContact CB-CE1 3.66Å; W188-F194 HydrophobicContact CB-CE2 4.24Å; W188-F194 HydrophobicContact CB-CG 3.64Å; W188-F194 HydrophobicContact CB-CZ 4.06Å; W188-F194 HydrophobicContact CG-CE1 4.47Å; W188-D263 HydrophobicContact CH2-CB 4.19Å; W188-D263 HydrophobicContact CZ3-CB 3.9Å; W188-D263 WeakPolarHBondContact CZ3-O 2.99Å; W188-L266 HydrophobicContact CE3-CB 4.45Å; W188-L266 HydrophobicContact CE3-CD1 3.68Å; W188-L266 HydrophobicContact CZ3-CD1 3.78Å; W188-Q270 PolarHBondContact O-NE2 2.84Å
189Q98.3Very high97Very high33 Ų3368.1 Ų68.115%0.15435%0.345CS..Hα-helixtrans-82.1-17.4174.8-66.9172.8-91.300112.2Q184 L185 A186 E187 D263Q184-Q189 PolarHBondContact O-OE1 3.14Å; L185-Q189 HydrophobicContact CD2-CB 4.26Å; A186-Q189 WeakPolarHBondContact O-CB 3.31Å; A186-Q189 PolarHBondContact O-N 3.5Å; E187-Q189 PolarHBondContact O-N 3.47Å; Q189-D263 PolarHBondContact NE2-OD2 3.4Å
190V97.8Very high97Very high94 Ų9466.1 Ų66.157%0.5734%0.338SS*.Hα-helixtrans-118-22.3-175.1-610000113.6L185 E187 P192L185-V190 HydrophobicContact CB-CG1 4.11Å; L185-V190 HydrophobicContact CD1-CG1 4.05Å; E187-V190 VanDerWaalsContact O-CG2 3.31Å; E187-V190 WeakPolarHBondContact O-CG2 3.34Å; E187-V190 PolarHBondContact O-N 2.72Å; E187-V190 VanDerWaalsContact O-N 3.11Å; V190-P192 WeakPolarHBondContact O-CD 3.27Å
191N98.2Very high97Very high30 Ų3071.6 Ų71.616%0.1635%0.354CS..  trans-101.7107.3179.3179.84.7000110.5E187 D193 F194 Q197 Q270E187-N191 HydrophobicContact CG-CB 4.39Å; E187-N191 WeakPolarHBondContact O-CB 3.28Å; E187-N191 PolarHBondContact O-N 2.92Å; N191-D193 PolarHBondContact O-N 2.92Å; N191-D193 PolarHBondContact OD1-N 3.49Å; N191-F194 HydrophobicContact CB-CB 4.19Å; N191-F194 VanDerWaalsContact O-CB 3.29Å; N191-F194 WeakPolarHBondContact O-CB 3.39Å; N191-F194 PolarHBondContact O-N 3.03Å; N191-Q197 PolarHBondContact ND2-OE1 3.3Å; N191-Q270 PolarHBondContact O-NE2 3.29Å
192P96.9Very high97Very high96 Ų9671.3 Ų71.362%0.62335%0.348SS*.THydrogen-bonded Turntrans-66-23179.827.1-34.5000113.5V190V190-P192 WeakPolarHBondContact O-CD 3.27Å
193D97.6Very high96.8Very high90 Ų9066 Ų6648%0.48135%0.345SS..THydrogen-bonded Turntrans-949.3-179.5-63.8-41.8000112.8N191 C195 E196 Q197N191-D193 PolarHBondContact O-N 2.92Å; N191-D193 PolarHBondContact OD1-N 3.49Å; D193-C195 VanDerWaalsContact C-N 3.26Å; D193-C195 PolarHBondContact O-N 2.9Å; D193-E196 PolarHBondContact O-N 3.23Å; D193-E196 VanDerWaalsContact O-N 3.09Å; D193-Q197 HydrophobicContact CB-CG 4.06Å; D193-Q197 VanDerWaalsContact CB-NE2 3.3Å; D193-Q197 WeakPolarHBondContact O-CB 3.28Å; D193-Q197 WeakPolarHBondContact O-CG 3.4Å; D193-Q197 PolarHBondContact O-N 3.38Å
194F98.6Very high96.7Very high16 Ų1662.1 Ų62.17%0.0733%0.328CS..Hα-helixtrans-55.4-39.1-173.1178-92.6000112.8P174 Y175 E187 W188 N191 N198 V199P174-F194 HydrophobicContact CB-CE1 4.38Å; P174-F194 WeakPolarHBondContact O-CZ 3.42Å; Y175-F194 HydrophobicContact CE1-CD1 4.03Å; Y175-F194 HydrophobicContact CE1-CE1 4.37Å; E187-F194 HydrophobicContact CB-CD2 4.21Å; E187-F194 HydrophobicContact CB-CE2 4.09Å; E187-F194 HydrophobicContact CG-CD2 3.91Å; E187-F194 HydrophobicContact CG-CE2 4.13Å; W188-F194 HydrophobicContact CB-CB 4.26Å; W188-F194 HydrophobicContact CB-CD1 3.44Å; W188-F194 VanDerWaalsContact CB-CD1 3.44Å; W188-F194 HydrophobicContact CB-CD2 4.03Å; W188-F194 HydrophobicContact CB-CE1 3.66Å; W188-F194 HydrophobicContact CB-CE2 4.24Å; W188-F194 HydrophobicContact CB-CG 3.64Å; W188-F194 HydrophobicContact CB-CZ 4.06Å; W188-F194 HydrophobicContact CG-CE1 4.47Å; N191-F194 HydrophobicContact CB-CB 4.19Å; N191-F194 VanDerWaalsContact O-CB 3.29Å; N191-F194 WeakPolarHBondContact O-CB 3.39Å; N191-F194 PolarHBondContact O-N 3.03Å; F194-N198 HydrophobicContact CD2-CB 4.2Å; F194-N198 WeakPolarHBondContact CD2-ND2 3.4Å; F194-N198 HydrophobicContact CE1-CB 4.5Å; F194-N198 HydrophobicContact CE2-CB 3.95Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.18Å; F194-N198 HydrophobicContact CZ-CB 4.12Å; F194-N198 WeakPolarHBondContact O-CA 3.48Å; F194-N198 WeakPolarHBondContact O-CB 3.31Å; F194-N198 PolarHBondContact O-N 3.35Å; F194-V199 HydrophobicContact CD1-CG2 3.77Å; F194-V199 HydrophobicContact CE1-CG2 3.49Å; F194-V199 VanDerWaalsContact CE1-CG2 3.49Å; F194-V199 HydrophobicContact CZ-CG2 4.45Å; F194-V199 PolarHBondContact O-N 2.82Å
195C98.4Very high96.7Very high0 Ų057.5 Ų57.50%031%0.307CS..Hα-helixtrans-62.9-45.3177.7-169.30000113.1Y175 D193 V199 K200 Q270 C271Y175-C195 WeakPolarHBondContact OH-CB 3.45Å; D193-C195 VanDerWaalsContact C-N 3.26Å; D193-C195 PolarHBondContact O-N 2.9Å; C195-V199 HydrophobicContact CB-CB 4.45Å; C195-V199 PolarHBondContact O-N 2.86Å; C195-K200 PolarHBondContact O-N 3.24Å; C195-Q270 HydrophobicContact CB-CB 3.78Å; C195-C271 HydrophobicContact CB-CB 3.99Å; C195-C271 WeakPolarHBondContact CB-SG 3.27Å; C195-C271 WeakPolarHBondContact SG-CA 3.36Å; C195-C271 WeakPolarHBondContact SG-CB 3.2Å; C195-C271 CovalentContact SG-SG 2.02Å; C195-C271 PolarHBondContact SG-SG 3.11Å
196E96.5Very high96.5Very high85 Ų8553.4 Ų53.440%0.39729%0.285SS..Hα-helixtrans-70-38.4-179.7-69.5-59.415500112.5D193 K200 R201D193-E196 PolarHBondContact O-N 3.23Å; D193-E196 VanDerWaalsContact O-N 3.09Å; E196-K200 VanDerWaalsContact OE1-CD 3.32Å; E196-K200 WeakPolarHBondContact OE1-CD 3.42Å; E196-K200 WeakPolarHBondContact OE1-CE 3.37Å; E196-K200 IonicContact OE1-NZ 3.72Å; E196-K200 PolarHBondContact OE1-NZ 3.29Å; E196-K200 WeakPolarHBondContact OE2-CD 3.36Å; E196-R201 PolarHBondContact O-NE 3.33Å
197Q95.9Very high96.2Very high80 Ų8056.3 Ų56.337%0.37430%0.299SS..Hα-helixtrans-77.8-40.3-176.3-67.3176.54.400112.2N191 D193 R201N191-Q197 PolarHBondContact ND2-OE1 3.3Å; D193-Q197 HydrophobicContact CB-CG 4.06Å; D193-Q197 VanDerWaalsContact CB-NE2 3.3Å; D193-Q197 WeakPolarHBondContact O-CB 3.28Å; D193-Q197 WeakPolarHBondContact O-CG 3.4Å; D193-Q197 PolarHBondContact O-N 3.38Å; Q197-R201 VanDerWaalsContact O-CD 3.24Å; Q197-R201 WeakPolarHBondContact O-CD 3.15Å; Q197-R201 PolarHBondContact O-NE 2.84Å
198N96.8Very high95.9Very high57 Ų5751.5 Ų51.531%0.30528%0.277SS..THydrogen-bonded Turntrans-115.2-55.1-170-61-59000111.8E187 F194 L202E187-N198 PolarHBondContact OE1-ND2 3.36Å; E187-N198 VanDerWaalsContact OE1-ND2 3.08Å; F194-N198 HydrophobicContact CD2-CB 4.2Å; F194-N198 WeakPolarHBondContact CD2-ND2 3.4Å; F194-N198 HydrophobicContact CE1-CB 4.5Å; F194-N198 HydrophobicContact CE2-CB 3.95Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.18Å; F194-N198 HydrophobicContact CZ-CB 4.12Å; F194-N198 WeakPolarHBondContact O-CA 3.48Å; F194-N198 WeakPolarHBondContact O-CB 3.31Å; F194-N198 PolarHBondContact O-N 3.35Å; N198-L202 WeakPolarHBondContact O-CG 3.4Å; N198-L202 PolarHBondContact O-N 3.03Å
199V97.7Very high95.7Very high0 Ų053.5 Ų53.50%029%0.288CS..G310 helixtrans-71.4-54.8-167.1-174.80000112.9P174 Y175 F194 C195 R201 L202 F205 I211 L214P174-V199 HydrophobicContact CB-CG2 3.86Å; P174-V199 HydrophobicContact CG-CG1 4.03Å; P174-V199 HydrophobicContact CG-CG2 4.15Å; Y175-V199 HydrophobicContact CE2-CG2 3.85Å; F194-V199 HydrophobicContact CD1-CG2 3.77Å; F194-V199 HydrophobicContact CE1-CG2 3.49Å; F194-V199 VanDerWaalsContact CE1-CG2 3.49Å; F194-V199 HydrophobicContact CZ-CG2 4.45Å; F194-V199 PolarHBondContact O-N 2.82Å; C195-V199 HydrophobicContact CB-CB 4.45Å; C195-V199 PolarHBondContact O-N 2.86Å; V199-R201 PolarHBondContact O-N 2.94Å; V199-L202 PolarHBondContact O-N 3.48Å; V199-L202 VanDerWaalsContact O-N 3.1Å; V199-F205 HydrophobicContact CG1-CB 4.31Å; V199-F205 HydrophobicContact CG1-CD2 4.32Å; V199-F205 HydrophobicContact CG1-CG 4.25Å; V199-F205 WeakPolarHBondContact O-CB 3.41Å; V199-I211 HydrophobicContact CG1-CD1 4.21Å; V199-L214 HydrophobicContact CG1-CD2 4.22Å
200K97Very high95.5Very high13 Ų1353.4 Ų53.46%0.05729%0.288CS..G310 helixtrans-62.1-12.1-177.6-78.6175.7174.6-176.70113.6C195 E196 N206 I211 C271 Y347 N349C195-K200 PolarHBondContact O-N 3.24Å; E196-K200 VanDerWaalsContact OE1-CD 3.32Å; E196-K200 WeakPolarHBondContact OE1-CD 3.42Å; E196-K200 WeakPolarHBondContact OE1-CE 3.37Å; E196-K200 IonicContact OE1-NZ 3.72Å; E196-K200 PolarHBondContact OE1-NZ 3.29Å; E196-K200 WeakPolarHBondContact OE2-CD 3.36Å; K200-N206 WeakPolarHBondContact O-CA 3.38Å; K200-N206 VanDerWaalsContact O-CB 3.27Å; K200-N206 WeakPolarHBondContact O-CB 3.31Å; K200-I211 HydrophobicContact CG-CD1 3.65Å; K200-C271 WeakPolarHBondContact CE-O 3.1Å; K200-C271 PolarHBondContact NZ-O 2.99Å; K200-Y347 HydrophobicContact CB-CE1 4.48Å; K200-Y347 WeakPolarHBondContact CB-OH 3.47Å; K200-Y347 WeakPolarHBondContact CD-OH 3.37Å; K200-Y347 HydrophobicContact CG-CE1 4.24Å; K200-Y347 WeakPolarHBondContact CG-OH 3.48Å; K200-N349 PolarHBondContact O-ND2 3.49Å
201R95.3Very high95.5Very high148 Ų14848.9 Ų48.956%0.55826%0.261SS*.G310 helixtrans-97.9-21.2179.9-56.2-173.2-169.8179.7-8.2113.8E196 Q197 V199 I352E196-R201 PolarHBondContact O-NE 3.33Å; Q197-R201 VanDerWaalsContact O-CD 3.24Å; Q197-R201 WeakPolarHBondContact O-CD 3.15Å; Q197-R201 PolarHBondContact O-NE 2.84Å; V199-R201 PolarHBondContact O-N 2.94Å; R201-I352 HydrophobicContact CB-CD1 4.19Å; R201-I352 WeakPolarHBondContact O-CD1 3.36Å
202L94.4Very high95.4Very high81 Ų8147.5 Ų47.542%0.42425%0.253SS..SBendtrans-62.8139178.6-72.6170.3000111P174 N198 V199 A204 F205 N206P174-L202 HydrophobicContact CB-CD1 4.41Å; N198-L202 WeakPolarHBondContact O-CG 3.4Å; N198-L202 PolarHBondContact O-N 3.03Å; V199-L202 PolarHBondContact O-N 3.48Å; V199-L202 VanDerWaalsContact O-N 3.1Å; L202-A204 PolarHBondContact O-N 3.01Å; L202-A204 VanDerWaalsContact O-N 3.13Å; L202-F205 HydrophobicContact CB-CD2 3.96Å; L202-F205 HydrophobicContact CD1-CD2 3.99Å; L202-F205 HydrophobicContact CD1-CE2 4.31Å; L202-F205 CarbonylContact O-C 3.58Å; L202-F205 PolarHBondContact O-N 2.8Å; L202-N206 VanDerWaalsContact O-CB 3.28Å; L202-N206 WeakPolarHBondContact O-CB 3.37Å; L202-N206 PolarHBondContact O-N 3.21Å
203S91.9Very high95.5Very high107 Ų10743.1 Ų43.175%0.74823%0.225SC*.THydrogen-bonded Turntrans-54.9-33.8180540000113.4F205 N206S203-F205 VanDerWaalsContact C-N 3.29Å; S203-F205 PolarHBondContact O-N 3.01Å; S203-N206 PolarHBondContact O-OD1 3.21Å
204A92Very high95.5Very high31 Ų3139.1 Ų39.126%0.25620%0.203SC..THydrogen-bonded Turntrans-70.7-20.5177.700000114.2I171 L202 Q210I171-A204 HydrophobicContact CD1-CB 3.93Å; L202-A204 PolarHBondContact O-N 3.01Å; L202-A204 VanDerWaalsContact O-N 3.13Å; A204-Q210 WeakPolarHBondContact O-CB 3.45Å
205F95.2Very high95.5Very high4 Ų438.3 Ų38.32%0.01820%0.2CC..THydrogen-bonded Turntrans-126-11.3-169.7-62.6-69.7000113.9I171 P174 V199 L202 S203 N207 Q210 I211 L214 L232 Y347I171-F205 HydrophobicContact CG2-CE2 4.16Å; I171-F205 HydrophobicContact CG2-CZ 3.98Å; P174-F205 HydrophobicContact CG-CD2 4.48Å; P174-F205 HydrophobicContact CG-CE2 3.85Å; P174-F205 HydrophobicContact CG-CZ 4.08Å; V199-F205 HydrophobicContact CG1-CB 4.31Å; V199-F205 HydrophobicContact CG1-CD2 4.32Å; V199-F205 HydrophobicContact CG1-CG 4.25Å; V199-F205 WeakPolarHBondContact O-CB 3.41Å; L202-F205 HydrophobicContact CB-CD2 3.96Å; L202-F205 HydrophobicContact CD1-CD2 3.99Å; L202-F205 HydrophobicContact CD1-CE2 4.31Å; L202-F205 CarbonylContact O-C 3.58Å; L202-F205 PolarHBondContact O-N 2.8Å; S203-F205 VanDerWaalsContact C-N 3.29Å; S203-F205 PolarHBondContact O-N 3.01Å; F205-N207 VanDerWaalsContact C-N 3.27Å; F205-N207 PolarHBondContact O-N 3.49Å; F205-Q210 HydrophobicContact CD1-CB 3.96Å; F205-Q210 HydrophobicContact CE1-CB 4.2Å; F205-I211 HydrophobicContact CB-CB 4.25Å; F205-I211 HydrophobicContact CD1-CB 4.21Å; F205-L214 HydrophobicContact CE1-CB 4.32Å; F205-L214 HydrophobicContact CE1-CD2 4.28Å; F205-L232 HydrophobicContact CE1-CD1 4.15Å; F205-L232 HydrophobicContact CZ-CD1 4.13Å; F205-Y347 VanDerWaalsContact O-CD1 3.32Å; F205-Y347 WeakPolarHBondContact O-CD1 3.43Å
206N93.7Very high95.5Very high31 Ų3138.4 Ų38.417%0.16620%0.2CC..SBendtrans-75.1-13.3-174.768.613000114.3K200 L202 S203 N349 I352K200-N206 WeakPolarHBondContact O-CA 3.38Å; K200-N206 VanDerWaalsContact O-CB 3.27Å; K200-N206 WeakPolarHBondContact O-CB 3.31Å; L202-N206 VanDerWaalsContact O-CB 3.28Å; L202-N206 WeakPolarHBondContact O-CB 3.37Å; L202-N206 PolarHBondContact O-N 3.21Å; S203-N206 PolarHBondContact O-OD1 3.21Å; N206-N349 HydrophobicContact CB-CB 4.2Å; N206-N349 VanDerWaalsContact O-CB 3.31Å; N206-N349 WeakPolarHBondContact O-CB 3.4Å; N206-N349 PolarHBondContact O-N 3.01Å; N206-I352 HydrophobicContact CB-CD1 3.84Å
207N92.6Very high95.6Very high75 Ų7534.4 Ų34.440%0.40118%0.182SC..EExtended strand (participates in β ladder)trans-153.6140.1178.7-179.242.9000110.5F205F205-N207 VanDerWaalsContact C-N 3.27Å; F205-N207 PolarHBondContact O-N 3.49Å
208G91.9Very high95.7Very high3 Ų330.9 Ų30.93%0.03117%0.166CC..EExtended strand (participates in β ladder)trans102.2-143.4175.700000113.9Y347G208-Y347 PolarHBondContact N-O 3.45Å; G208-Y347 PolarHBondContact O-N 3.27Å
209N93.1Very high95.8Very high49 Ų4928.2 Ų28.226%0.26215%0.151SC..SBendtrans-107.2-16.8-168.4-68-22.2000112.8I211 L212 D213N209-I211 VanDerWaalsContact C-N 3.29Å; N209-I211 PolarHBondContact O-N 2.75Å; N209-L212 CarbonylContact O-C 3.59Å; N209-L212 WeakPolarHBondContact O-CA 3.29Å; N209-L212 WeakPolarHBondContact O-CB 3.23Å; N209-L212 PolarHBondContact O-N 2.74Å; N209-D213 VanDerWaalsContact O-CG 3.31Å; N209-D213 PolarHBondContact O-N 3.38Å
210Q94.2Very high95.9Very high31 Ų3128.2 Ų28.215%0.14515%0.151CC..Hα-helixtrans-61.3-36.5-168.3-75.460.538.300112.4A204 F205 D213 L214 P242A204-Q210 WeakPolarHBondContact O-CB 3.45Å; F205-Q210 HydrophobicContact CD1-CB 3.96Å; F205-Q210 HydrophobicContact CE1-CB 4.2Å; Q210-D213 PolarHBondContact O-N 3.1Å; Q210-L214 PolarHBondContact O-N 3.38Å; Q210-P242 HydrophobicContact CG-CG 4.14Å; Q210-P242 PolarHBondContact NE2-O 3.34Å
211I97Very high96Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-68.7-38.1174.2-164.6167.2000111.3V199 K200 F205 N209 D213 L214 I215 L273 Y347V199-I211 HydrophobicContact CG1-CD1 4.21Å; K200-I211 HydrophobicContact CG-CD1 3.65Å; F205-I211 HydrophobicContact CB-CB 4.25Å; F205-I211 HydrophobicContact CD1-CB 4.21Å; N209-I211 VanDerWaalsContact C-N 3.29Å; N209-I211 PolarHBondContact O-N 2.75Å; I211-D213 VanDerWaalsContact C-N 3.3Å; I211-D213 PolarHBondContact O-N 3.26Å; I211-L214 WeakPolarHBondContact O-CB 3.48Å; I211-L214 PolarHBondContact O-N 3.39Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.14Å; I211-L273 HydrophobicContact CD1-CD1 3.95Å; I211-L273 HydrophobicContact CG1-CD1 4.37Å; I211-L273 HydrophobicContact CG2-CD1 4.09Å; I211-Y347 VanDerWaalsContact CG2-CB 3.49Å; I211-Y347 HydrophobicContact CG2-CD1 3.64Å; I211-Y347 HydrophobicContact CG2-CG 3.63Å
212L97.7Very high96.1Very high0 Ų020.8 Ų20.80%012%0.123CC..Hα-helixtrans-69.6-31.3175.8-61.3173.2000111.5N209 I215 D216 L273 L344N209-L212 CarbonylContact O-C 3.59Å; N209-L212 WeakPolarHBondContact O-CA 3.29Å; N209-L212 WeakPolarHBondContact O-CB 3.23Å; N209-L212 PolarHBondContact O-N 2.74Å; L212-I215 PolarHBondContact O-N 3.5Å; L212-D216 PolarHBondContact O-N 2.83Å; L212-L273 HydrophobicContact CD2-CB 3.96Å; L212-L344 HydrophobicContact CD1-CB 4.32Å; L212-L344 WeakPolarHBondContact CD1-O 3.33Å; L212-L344 HydrophobicContact CD2-CB 4.21Å
213D97.2Very high96.3Very high5 Ų516.9 Ų16.93%0.02710%0.103CC..Hα-helixtrans-71.7-35.3174-63.1-20.9000111.5R92 N209 Q210 I211 I215 D216 A217 A245 R275R92-D213 IonicContact CZ-OD1 3.23Å; R92-D213 VanDerWaalsContact NH1-CG 3.32Å; R92-D213 IonicContact NH1-OD1 2.68Å; R92-D213 PolarHBondContact NH1-OD1 2.87Å; R92-D213 IonicContact NH2-OD1 2.97Å; R92-D213 PolarHBondContact NH2-OD1 3.45Å; N209-D213 VanDerWaalsContact O-CG 3.31Å; N209-D213 PolarHBondContact O-N 3.38Å; Q210-D213 PolarHBondContact O-N 3.1Å; I211-D213 VanDerWaalsContact C-N 3.3Å; I211-D213 PolarHBondContact O-N 3.26Å; D213-I215 VanDerWaalsContact C-N 3.33Å; D213-D216 PolarHBondContact O-N 3.14Å; D213-A217 VanDerWaalsContact O-CB 3.28Å; D213-A217 WeakPolarHBondContact O-CB 3.21Å; D213-A217 PolarHBondContact O-N 3.15Å; D213-A245 HydrophobicContact CB-CB 3.86Å; D213-R275 IonicContact OD1-CZ 2.83Å; D213-R275 IonicContact OD1-NH1 3.72Å; D213-R275 PolarHBondContact OD1-NH1 3.07Å; D213-R275 VanDerWaalsContact OD1-NH1 3.09Å; D213-R275 IonicContact OD1-NH2 2.62Å; D213-R275 PolarHBondContact OD1-NH2 3.44Å
214L98Very high96.7Very high5 Ų511.9 Ų11.93%0.0267%0.068CC..Hα-helixtrans-61.3-40.3168.5170.868.2000111.5P174 Y175 V199 F205 Q210 I211 C218 L232P174-L214 HydrophobicContact CG-CD2 3.88Å; Y175-L214 HydrophobicContact CD2-CD1 4.33Å; Y175-L214 HydrophobicContact CD2-CD2 3.95Å; Y175-L214 HydrophobicContact CE2-CD2 3.9Å; V199-L214 HydrophobicContact CG1-CD2 4.22Å; F205-L214 HydrophobicContact CE1-CB 4.32Å; F205-L214 HydrophobicContact CE1-CD2 4.28Å; Q210-L214 PolarHBondContact O-N 3.38Å; I211-L214 WeakPolarHBondContact O-CB 3.48Å; I211-L214 PolarHBondContact O-N 3.39Å; L214-C218 WeakPolarHBondContact O-CB 3.43Å; L214-C218 PolarHBondContact O-N 3.15Å; L214-L232 HydrophobicContact CB-CD1 4.25Å; L214-L232 HydrophobicContact CD1-CD1 4.12Å
215I98.6Very high97Very high0 Ų011.3 Ų11.30%07%0.065CC..Hα-helixtrans-69.6-44.7176.4-58-46.3000111.8I211 L212 D213 A217 C218 I219 P267 L268 C271 L273 V274I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.14Å; L212-I215 PolarHBondContact O-N 3.5Å; D213-I215 VanDerWaalsContact C-N 3.33Å; I215-A217 VanDerWaalsContact C-N 3.27Å; I215-A217 PolarHBondContact O-N 3.27Å; I215-C218 PolarHBondContact O-N 3.35Å; I215-C218 VanDerWaalsContact O-N 3.16Å; I215-C218 PolarHBondContact O-SG 3.22Å; I215-I219 HydrophobicContact CG2-CD1 3.95Å; I215-I219 HydrophobicContact CG2-CG1 4.38Å; I215-I219 WeakPolarHBondContact O-CG1 3.45Å; I215-I219 PolarHBondContact O-N 2.88Å; I215-P267 HydrophobicContact CD1-CB 3.59Å; I215-P267 VanDerWaalsContact CD1-O 3.25Å; I215-P267 WeakPolarHBondContact CD1-O 3.39Å; I215-L268 HydrophobicContact CG2-CB 4.25Å; I215-L268 HydrophobicContact CG2-CD1 3.92Å; I215-C271 HydrophobicContact CD1-CB 4.23Å; I215-L273 WeakPolarHBondContact CG1-O 3.15Å; I215-L273 WeakPolarHBondContact CG2-O 3.38Å; I215-V274 HydrophobicContact CG2-CB 4.38Å; I215-V274 HydrophobicContact CG2-CG2 4.35Å
216D98.7Very high97.1Very high1 Ų111.2 Ų11.21%0.0057%0.065CC..Hα-helixtrans-59.8-41.5176.3-81.4-2.2000111F90 R92 L212 D213 I219 F220 R275 T278F90-D216 HydrophobicContact CD1-CB 4.3Å; F90-D216 HydrophobicContact CE1-CB 3.67Å; F90-D216 VanDerWaalsContact CE1-CG 3.46Å; F90-D216 HydrophobicContact CZ-CB 4.19Å; R92-D216 IonicContact NH1-OD2 3.75Å; L212-D216 PolarHBondContact O-N 2.83Å; D213-D216 PolarHBondContact O-N 3.14Å; D216-I219 PolarHBondContact O-N 2.91Å; D216-F220 WeakPolarHBondContact O-CB 3.42Å; D216-F220 PolarHBondContact O-N 3.38Å; D216-R275 IonicContact OD2-CZ 3.51Å; D216-R275 IonicContact OD2-NH1 2.76Å; D216-R275 PolarHBondContact OD2-NH1 2.62Å; D216-T278 VanDerWaalsContact CG-OG1 3.28Å; D216-T278 WeakPolarHBondContact OD1-CB 3.48Å; D216-T278 WeakPolarHBondContact OD1-CG2 3.39Å; D216-T278 PolarHBondContact OD1-OG1 3.49Å; D216-T278 PolarHBondContact OD2-OG1 2.72Å
217A98.4Very high97.4Very high2 Ų212.5 Ų12.52%0.0177%0.07CC..Hα-helixtrans-63.9-40.7174.500000112.3D213 I215 F220 D221D213-A217 VanDerWaalsContact O-CB 3.28Å; D213-A217 WeakPolarHBondContact O-CB 3.21Å; D213-A217 PolarHBondContact O-N 3.15Å; I215-A217 VanDerWaalsContact C-N 3.27Å; I215-A217 PolarHBondContact O-N 3.27Å; A217-F220 PolarHBondContact O-N 3.19Å; A217-D221 VanDerWaalsContact O-CB 3.3Å; A217-D221 WeakPolarHBondContact O-CB 3.11Å; A217-D221 VanDerWaalsContact O-CG 3.24Å; A217-D221 PolarHBondContact O-N 3.39Å
218C98.7Very high97.6Very high6 Ų69.9 Ų9.94%0.0416%0.056CC..Hα-helixtrans-69.1-37179.287.70000112.6L214 I215 D221 F222 I264 P267L214-C218 WeakPolarHBondContact O-CB 3.43Å; L214-C218 PolarHBondContact O-N 3.15Å; I215-C218 PolarHBondContact O-N 3.35Å; I215-C218 VanDerWaalsContact O-N 3.16Å; I215-C218 PolarHBondContact O-SG 3.22Å; C218-D221 PolarHBondContact O-N 3.49Å; C218-F222 VanDerWaalsContact O-CB 3.31Å; C218-F222 WeakPolarHBondContact O-CB 3.1Å; C218-F222 PolarHBondContact O-N 2.69Å; C218-I264 WeakPolarHBondContact CB-O 3.35Å; C218-P267 HydrophobicContact CB-CB 4.05Å; C218-P267 HydrophobicContact CB-CG 3.75Å
219I98.9Very high97.9Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-62.6-47172.7-71.3170.9000109.5I215 D216 F222 L223 L265 L268 V274 T278 L282 V324I215-I219 HydrophobicContact CG2-CD1 3.95Å; I215-I219 HydrophobicContact CG2-CG1 4.38Å; I215-I219 WeakPolarHBondContact O-CG1 3.45Å; I215-I219 PolarHBondContact O-N 2.88Å; D216-I219 PolarHBondContact O-N 2.91Å; I219-F222 PolarHBondContact O-N 2.9Å; I219-L223 HydrophobicContact CG2-CD1 4.26Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.32Å; I219-L223 PolarHBondContact O-N 2.89Å; I219-L265 HydrophobicContact CG1-CD1 4.34Å; I219-L268 HydrophobicContact CD1-CD2 4.33Å; I219-L268 HydrophobicContact CG1-CD2 4.28Å; I219-V274 HydrophobicContact CD1-CG2 3.86Å; I219-T278 HydrophobicContact CD1-CG2 4.06Å; I219-L282 HydrophobicContact CG2-CD1 4.21Å; I219-V324 HydrophobicContact CD1-CG1 4.13Å; I219-V324 HydrophobicContact CG1-CG1 3.98Å; I219-V324 HydrophobicContact CG2-CG1 3.97Å; I219-V324 HydrophobicContact CG2-CG2 4.38Å
220F98.9Very high98.1Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-60.8-45.5177.5179.2-110.7000112.4A81 L84 D85 F90 D216 A217 L223 T224 H247A81-F220 HydrophobicContact CB-CE1 4.42Å; A81-F220 HydrophobicContact CB-CZ 3.82Å; A81-F220 WeakPolarHBondContact O-CZ 3.38Å; L84-F220 HydrophobicContact CB-CE2 4.05Å; L84-F220 HydrophobicContact CD2-CD2 4.16Å; L84-F220 HydrophobicContact CD2-CE2 3.89Å; L84-F220 HydrophobicContact CG-CD2 4.28Å; L84-F220 HydrophobicContact CG-CE2 3.89Å; D85-F220 HydrophobicContact CB-CE2 3.99Å; D85-F220 HydrophobicContact CB-CZ 4.16Å; F90-F220 HydrophobicContact CD2-CD2 4.47Å; F90-F220 HydrophobicContact CE2-CB 4.25Å; F90-F220 HydrophobicContact CE2-CD2 4.39Å; D216-F220 WeakPolarHBondContact O-CB 3.42Å; D216-F220 PolarHBondContact O-N 3.38Å; A217-F220 PolarHBondContact O-N 3.19Å; F220-L223 PolarHBondContact O-N 3.4Å; F220-T224 HydrophobicContact CE2-CG2 4.39Å; F220-T224 HydrophobicContact CZ-CG2 4.4Å; F220-T224 WeakPolarHBondContact O-CG2 3.4Å; F220-T224 PolarHBondContact O-N 3.23Å; F220-T224 VanDerWaalsContact O-N 3.12Å; F220-T224 PolarHBondContact O-OG1 2.97Å; F220-H247 HydrophobicContact CD1-CB 4.3Å; F220-H247 AromaticContact CD1-ND1 3.96Å; F220-H247 HydrophobicContact CE1-CB 3.99Å
221D98.9Very high98.2Very high3 Ų313.4 Ų13.42%0.0167%0.068CC..Hα-helixtrans-66-37177.3-74.5-31.5000111.6A217 C218 T224 G225 N226 R229 I264A217-D221 VanDerWaalsContact O-CB 3.3Å; A217-D221 WeakPolarHBondContact O-CB 3.11Å; A217-D221 VanDerWaalsContact O-CG 3.24Å; A217-D221 PolarHBondContact O-N 3.39Å; C218-D221 PolarHBondContact O-N 3.49Å; D221-T224 PolarHBondContact O-N 3.47Å; D221-T224 PolarHBondContact O-OG1 3.43Å; D221-T224 VanDerWaalsContact O-OG1 3.11Å; D221-G225 CarbonylContact O-C 3.59Å; D221-G225 VanDerWaalsContact O-CA 3.31Å; D221-G225 WeakPolarHBondContact O-CA 3.27Å; D221-G225 PolarHBondContact O-N 2.74Å; D221-N226 HydrophobicContact CB-CB 4.17Å; D221-N226 PolarHBondContact O-N 2.92Å; D221-N226 PolarHBondContact OD1-ND2 2.75Å; D221-R229 IonicContact OD1-CZ 3.22Å; D221-R229 IonicContact OD1-NE 2.9Å; D221-R229 PolarHBondContact OD1-NE 2.9Å; D221-R229 IonicContact OD1-NH2 3.72Å; D221-R229 PolarHBondContact OD1-NH2 2.76Å; D221-R229 WeakPolarHBondContact OD2-CB 3.27Å; D221-R229 VanDerWaalsContact OD2-CG 3.27Å; D221-R229 WeakPolarHBondContact OD2-CG 3.21Å; D221-R229 IonicContact OD2-CZ 2.73Å; D221-R229 IonicContact OD2-NE 3.77Å; D221-R229 PolarHBondContact OD2-NE 3.22Å; D221-R229 IonicContact OD2-NH2 3.39Å; D221-I264 HydrophobicContact CB-CG2 3.7Å
222F98.9Very high98.2Very high2 Ų213.8 Ų13.81%0.0097%0.071CC..Hα-helixtrans-65.7-45176.5178.7-101.8000111.4C218 I219 T224 G225 D260 D261 I264 L265 R320 L323 V324C218-F222 VanDerWaalsContact O-CB 3.31Å; C218-F222 WeakPolarHBondContact O-CB 3.1Å; C218-F222 PolarHBondContact O-N 2.69Å; I219-F222 PolarHBondContact O-N 2.9Å; F222-T224 VanDerWaalsContact C-N 3.3Å; F222-T224 PolarHBondContact O-N 3.01Å; F222-G225 PolarHBondContact O-N 2.86Å; F222-G225 VanDerWaalsContact O-N 3.15Å; F222-D260 HydrophobicContact CE2-CB 4.34Å; F222-D260 HydrophobicContact CZ-CB 4.18Å; F222-D261 WeakPolarHBondContact CD2-O 3.33Å; F222-I264 HydrophobicContact CB-CB 4.29Å; F222-I264 HydrophobicContact CB-CG2 3.95Å; F222-I264 HydrophobicContact CD2-CB 4.29Å; F222-L265 HydrophobicContact CB-CD1 3.99Å; F222-L265 HydrophobicContact CD1-CD1 4.22Å; F222-L265 HydrophobicContact CD1-CD2 4.22Å; F222-L265 HydrophobicContact CD2-CB 3.97Å; F222-L265 HydrophobicContact CD2-CD2 4.49Å; F222-L265 HydrophobicContact CE1-CD2 4.14Å; F222-L265 HydrophobicContact CE2-CB 4.36Å; F222-L265 HydrophobicContact CE2-CD2 4.43Å; F222-L265 HydrophobicContact CG-CB 4.24Å; F222-L265 HydrophobicContact CG-CD1 4.03Å; F222-L265 HydrophobicContact CG-CD2 4.38Å; F222-L265 HydrophobicContact CG-CG 4.47Å; F222-L265 HydrophobicContact CZ-CD2 4.24Å; F222-R320 HydrophobicContact CD1-CB 4.1Å; F222-R320 HydrophobicContact CE1-CB 3.73Å; F222-R320 HydrophobicContact CE1-CG 4.01Å; F222-R320 WeakPolarHBondContact CE1-O 3.04Å; F222-R320 HydrophobicContact CZ-CG 4.36Å; F222-R320 WeakPolarHBondContact O-CD 3.48Å; F222-L323 HydrophobicContact CE1-CB 4.02Å; F222-L323 HydrophobicContact CE1-CD1 4.48Å; F222-L323 HydrophobicContact CZ-CB 4.12Å; F222-L323 HydrophobicContact CZ-CD1 3.98Å; F222-V324 HydrophobicContact CD1-CG2 3.52Å; F222-V324 HydrophobicContact CE1-CG2 3.93Å
223L98.9Very high98.1Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-57.8-43.5176.3-72.1175.1000111.6L84 L88 I219 F220 L282 L292 L317 R320 L321L84-L223 HydrophobicContact CD2-CB 4.26Å; L88-L223 HydrophobicContact CD1-CD1 3.77Å; I219-L223 HydrophobicContact CG2-CD1 4.26Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.32Å; I219-L223 PolarHBondContact O-N 2.89Å; F220-L223 PolarHBondContact O-N 3.4Å; L223-L282 HydrophobicContact CD1-CD2 4.35Å; L223-L292 HydrophobicContact CD1-CD2 4.39Å; L223-L317 HydrophobicContact CB-CD1 3.79Å; L223-L317 HydrophobicContact CD2-CD1 4.15Å; L223-L317 HydrophobicContact CG-CD1 4.45Å; L223-R320 HydrophobicContact CD2-CB 3.96Å; L223-R320 VanDerWaalsContact O-CD 3.31Å; L223-R320 WeakPolarHBondContact O-CD 3.46Å; L223-R320 PolarHBondContact O-NH1 2.9Å; L223-L321 HydrophobicContact CD2-CB 4.05Å
224T98.7Very high98Very high1 Ų116.8 Ų16.81%0.0068%0.084CC..Hα-helixtrans-79.4-22.4177.862.70000113.1L84 F220 D221 F222 N226 F254 R320L84-T224 HydrophobicContact CD2-CG2 3.65Å; F220-T224 HydrophobicContact CE2-CG2 4.39Å; F220-T224 HydrophobicContact CZ-CG2 4.4Å; F220-T224 WeakPolarHBondContact O-CG2 3.4Å; F220-T224 PolarHBondContact O-N 3.23Å; F220-T224 VanDerWaalsContact O-N 3.12Å; F220-T224 PolarHBondContact O-OG1 2.97Å; D221-T224 PolarHBondContact O-N 3.47Å; D221-T224 PolarHBondContact O-OG1 3.43Å; D221-T224 VanDerWaalsContact O-OG1 3.11Å; F222-T224 VanDerWaalsContact C-N 3.3Å; F222-T224 PolarHBondContact O-N 3.01Å; T224-N226 WeakPolarHBondContact OG1-CB 3.47Å; T224-N226 PolarHBondContact OG1-N 3.4Å; T224-F254 HydrophobicContact CG2-CE2 3.77Å; T224-F254 HydrophobicContact CG2-CZ 3.72Å; T224-F254 WeakPolarHBondContact O-CA 3.06Å; T224-F254 PolarHBondContact O-N 2.99Å; T224-R320 PolarHBondContact O-NH1 3.49Å
225G98.6Very high97.8Very high20 Ų2016.7 Ų16.721%0.2068%0.083CC..THydrogen-bonded Turntrans75.527.4-169.900000113.4D221 F222 Q227D221-G225 CarbonylContact O-C 3.59Å; D221-G225 VanDerWaalsContact O-CA 3.31Å; D221-G225 WeakPolarHBondContact O-CA 3.27Å; D221-G225 PolarHBondContact O-N 2.74Å; F222-G225 PolarHBondContact O-N 2.86Å; F222-G225 VanDerWaalsContact O-N 3.15Å; G225-Q227 PolarHBondContact O-N 3.29Å
226N98.6Very high97.4Very high2 Ų220.3 Ų20.31%0.01110%0.103CC..  trans-80.4113.6178.1-178.424.3000111.3D221 T224 D228 R229D221-N226 HydrophobicContact CB-CB 4.17Å; D221-N226 PolarHBondContact O-N 2.92Å; D221-N226 PolarHBondContact OD1-ND2 2.75Å; T224-N226 WeakPolarHBondContact OG1-CB 3.47Å; T224-N226 PolarHBondContact OG1-N 3.4Å; N226-D228 PolarHBondContact OD1-N 3.19Å; N226-R229 PolarHBondContact ND2-NH2 3.21Å
227Q98.2Very high96.8Very high57 Ų5724.8 Ų24.827%0.26613%0.125SC..  trans-93.5-2.9-178.9-66.3176-43.400113.6Y68 G225 D261 I264Y68-Q227 HydrophobicContact CG-CB 4.23Å; G225-Q227 PolarHBondContact O-N 3.29Å; Q227-D261 WeakPolarHBondContact CG-OD2 2.99Å; Q227-D261 PolarHBondContact NE2-OD2 3.13Å; Q227-I264 HydrophobicContact CG-CD1 3.87Å; Q227-I264 HydrophobicContact CG-CG1 4.28Å
228D97.7Very high96.1Very high20 Ų2027.1 Ų27.111%0.10714%0.139CC..  trans-101.418.8-163.9-149.953.9000114.4Y179 N226 H230 R252Y179-D228 WeakPolarHBondContact CE1-OD1 3.41Å; Y179-D228 PolarHBondContact OH-OD1 3.03Å; N226-D228 PolarHBondContact OD1-N 3.19Å; D228-H230 PolarHBondContact O-CD2 3.12Å; D228-H230 PolarHBondContact O-N 3.36Å; D228-H230 IonicContact OD2-CD2 3.73Å; D228-R252 HydrophobicContact CB-CB 4.18Å; D228-R252 HydrophobicContact CB-CG 4.48Å; D228-R252 VanDerWaalsContact CG-CD 3.46Å; D228-R252 IonicContact OD1-CZ 2.72Å; D228-R252 IonicContact OD1-NH1 3.45Å; D228-R252 PolarHBondContact OD1-NH1 2.78Å; D228-R252 VanDerWaalsContact OD2-CD 3.31Å; D228-R252 WeakPolarHBondContact OD2-CD 3.16Å; D228-R252 IonicContact OD2-CZ 3.54Å; D228-R252 IonicContact OD2-NE 3.53Å; D228-R252 IonicContact OD2-NH1 3.67Å; D228-R252 PolarHBondContact OD2-NH1 3.41Å
229R97.8Very high95.3Very high34 Ų3431.8 Ų31.813%0.12817%0.169CC..  trans-74.368.2-179.6-168.166.363-164.5-3112.9S173 D221 N226 L232 L248 N250S173-R229 WeakPolarHBondContact CB-O 3.34Å; D221-R229 IonicContact OD1-CZ 3.22Å; D221-R229 IonicContact OD1-NE 2.9Å; D221-R229 PolarHBondContact OD1-NE 2.9Å; D221-R229 IonicContact OD1-NH2 3.72Å; D221-R229 PolarHBondContact OD1-NH2 2.76Å; D221-R229 WeakPolarHBondContact OD2-CB 3.27Å; D221-R229 VanDerWaalsContact OD2-CG 3.27Å; D221-R229 WeakPolarHBondContact OD2-CG 3.21Å; D221-R229 IonicContact OD2-CZ 2.73Å; D221-R229 IonicContact OD2-NE 3.77Å; D221-R229 PolarHBondContact OD2-NE 3.22Å; D221-R229 IonicContact OD2-NH2 3.39Å; N226-R229 PolarHBondContact ND2-NH2 3.21Å; R229-L232 HydrophobicContact CG-CD2 4.29Å; R229-L248 PolarHBondContact NH1-O 3.14Å; R229-L248 PolarHBondContact NH2-O 2.98Å; R229-N250 PolarHBondContact NH2-OD1 3.35Å
230H97Very high94.3Very high49 Ų4939.6 Ų39.623%0.22721%0.211CC..  trans-84.9-21.4-177.45467.9000114.6S173 R176 Y179 D228S173-H230 PolarHBondContact N-O 3.08Å; R176-H230 HydrophobicContact CG-CB 3.68Å; Y179-H230 HydrophobicContact CE2-CB 3.9Å; Y179-H230 AromaticContact CZ-CD2 3.75Å; Y179-H230 WeakPolarHBondContact OH-CB 3.38Å; Y179-H230 PolarHBondContact OH-CD2 3.08Å; D228-H230 PolarHBondContact O-CD2 3.12Å; D228-H230 PolarHBondContact O-N 3.36Å; D228-H230 IonicContact OD2-CD2 3.73Å
231H96.5Very high93.6Very high74 Ų7448 Ų4834%0.34324%0.243SC..EExtended strand (participates in β ladder)trans-129.2153.6173.4-64.1114.9000110.3I171I171-H231 CarbonylContact O-C 3.56Å; I171-H231 WeakPolarHBondContact O-CA 3.35Å
232L96.5Very high93.1Very high9 Ų949.5 Ų49.55%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-109.2124.9162.6-60.4176.2000107.3H170 I171 F205 L214 R229 A245H170-L232 WeakPolarHBondContact CA-O 3.21Å; I171-L232 PolarHBondContact N-O 3.18Å; I171-L232 PolarHBondContact O-N 2.88Å; F205-L232 HydrophobicContact CE1-CD1 4.15Å; F205-L232 HydrophobicContact CZ-CD1 4.13Å; L214-L232 HydrophobicContact CB-CD1 4.25Å; L214-L232 HydrophobicContact CD1-CD1 4.12Å; R229-L232 HydrophobicContact CG-CD2 4.29Å; L232-A245 HydrophobicContact CD2-CB 4.43Å
233E95.6Very high92.7Very high47 Ų4750.1 Ų50.122%0.2226%0.259CS..EExtended strand (participates in β ladder)trans-104.6146.1174.5-64.3-171.6-153.200110.2R168 G169 A245 M246 L248R168-E233 IonicContact NH1-OE2 3.32Å; G169-E233 WeakPolarHBondContact O-CA 3.3Å; E233-A245 CarbonylContact O-C 3.52Å; E233-A245 WeakPolarHBondContact O-CA 3.3Å; E233-M246 HydrophobicContact CB-CE 3.5Å; E233-M246 PolarHBondContact O-N 2.64Å; E233-L248 HydrophobicContact CB-CD1 4.37Å
234F95.2Very high92.5Very high21 Ų2150.3 Ų50.39%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-150.5159179.248.7-87.9000110.1R168 G169 I171 N236 P242 F244R168-F234 CarbonylContact C-O 3.1Å; R168-F234 WeakPolarHBondContact CA-O 3.29Å; G169-F234 PolarHBondContact N-O 2.98Å; G169-F234 PolarHBondContact O-N 2.9Å; I171-F234 HydrophobicContact CB-CE1 4.14Å; I171-F234 HydrophobicContact CD1-CD1 4.31Å; I171-F234 HydrophobicContact CD1-CE1 3.37Å; I171-F234 HydrophobicContact CD1-CZ 3.73Å; I171-F234 HydrophobicContact CG1-CE1 3.53Å; I171-F234 HydrophobicContact CG1-CZ 3.89Å; F234-N236 HydrophobicContact CE2-CB 4.47Å; F234-P242 HydrophobicContact CD2-CB 3.24Å; F234-P242 HydrophobicContact CE2-CB 3.45Å; F234-P242 VanDerWaalsContact CE2-CB 3.45Å; F234-P242 HydrophobicContact CE2-CG 4.49Å; F234-P242 HydrophobicContact CG-CB 3.86Å; F234-P242 HydrophobicContact CZ-CB 4.23Å; F234-F244 WeakPolarHBondContact CB-O 3.34Å
235F94.3Very high92.4Very high3 Ų350.5 Ų50.51%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-74.1135.4167.7-67.9-57.3000110.7M1 F6 L160 V166 R168 M237 G243 F244 M246M1-F235 HydrophobicContact SD-CE2 3.92Å; M1-F235 HydrophobicContact SD-CZ 3.89Å; F6-F235 AromaticContact CD1-CE2 3.91Å; F6-F235 HydrophobicContact CD1-CE2 3.91Å; F6-F235 HydrophobicContact CD1-CZ 4.31Å; F6-F235 AromaticContact CE1-CE2 3.44Å; F6-F235 HydrophobicContact CE1-CE2 3.44Å; F6-F235 VanDerWaalsContact CE1-CE2 3.44Å; F6-F235 AromaticContact CE1-CZ 3.6Å; F6-F235 HydrophobicContact CE1-CZ 3.6Å; F6-F235 HydrophobicContact CZ-CE2 4.38Å; L160-F235 HydrophobicContact CD2-CE1 4.16Å; L160-F235 HydrophobicContact CD2-CZ 3.8Å; V166-F235 HydrophobicContact CG1-CD1 3.45Å; V166-F235 VanDerWaalsContact CG1-CD1 3.45Å; V166-F235 HydrophobicContact CG1-CE1 3.64Å; V166-F235 HydrophobicContact CG1-CG 4.17Å; V166-F235 HydrophobicContact CG1-CZ 4.47Å; R168-F235 HydrophobicContact CG-CD1 3.96Å; R168-F235 HydrophobicContact CG-CE1 4.18Å; F235-M237 HydrophobicContact CB-CE 4.12Å; F235-M237 HydrophobicContact CB-CG 4.19Å; F235-G243 PolarHBondContact O-N 3.23Å; F235-F244 HydrophobicContact CD2-CE1 4.44Å; F235-M246 HydrophobicContact CD1-SD 4.49Å; F235-M246 HydrophobicContact CD2-SD 4.26Å; F235-M246 HydrophobicContact CE1-SD 4.24Å; F235-M246 HydrophobicContact CE2-SD 4Å; F235-M246 HydrophobicContact CZ-SD 4.01Å
236N91.1Very high92.4Very high75 Ų7549.8 Ų49.840%0.40125%0.253SS..  trans-108.748.2178.8-165.524.9000111.1P167 F234P167-N236 PolarHBondContact O-N 3.2Å; F234-N236 HydrophobicContact CE2-CB 4.47Å
237M85Confident92.3Very high96 Ų9649.8 Ų49.847%0.47325%0.253SS..  trans-77.4-23.6-175.4-66.3-176.9-63.400113.5V166 F235V166-M237 HydrophobicContact CG1-CG 3.92Å; V166-M237 HydrophobicContact CG1-SD 3.82Å; F235-M237 HydrophobicContact CB-CE 4.12Å; F235-M237 HydrophobicContact CB-CG 4.19Å
238T84.1Confident92.3Very high50 Ų5047.6 Ų47.631%0.30724%0.243SC..BIsolated β-bridgetrans-123.1126.3-178-59.40000109.9D240 R241T238-D240 PolarHBondContact O-N 3.03Å; T238-R241 HydrophobicContact CG2-CB 3.92Å; T238-R241 HydrophobicContact CG2-CG 4.37Å; T238-R241 CarbonylContact O-C 3.58Å; T238-R241 PolarHBondContact O-N 3.21Å; T238-R241 VanDerWaalsContact O-N 3.11Å
239P81.6Confident92.2Very high105 Ų10549.7 Ų49.768%0.68226%0.255SS*.THydrogen-bonded Turntrans-52.3134.1176.3-26.534.5000111.8R241P239-R241 PolarHBondContact O-N 3.26Å
240D79.2Confident92.2Very high164 Ų16448.2 Ų48.288%0.87725%0.249SC*.THydrogen-bonded Turntrans57.613.4179.3-51.2-46.5000115.5T238T238-D240 PolarHBondContact O-N 3.03Å
241R83.8Confident92.2Very high176 Ų17645.9 Ų45.966%0.66424%0.238SC*.BIsolated β-bridgetrans-13676.5177.3-65.4-173.5-175.5-178.93.6109.6T238 P239 G243T238-R241 HydrophobicContact CG2-CB 3.92Å; T238-R241 HydrophobicContact CG2-CG 4.37Å; T238-R241 CarbonylContact O-C 3.58Å; T238-R241 PolarHBondContact O-N 3.21Å; T238-R241 VanDerWaalsContact O-N 3.11Å; P239-R241 PolarHBondContact O-N 3.26Å; R241-G243 PolarHBondContact O-N 3.05Å
242P86.8Confident92.2Very high35 Ų3543 Ų4323%0.22722%0.224CC..  trans-58.7141.8172.421.1-25.3000109.5Q210 F234Q210-P242 HydrophobicContact CG-CG 4.14Å; Q210-P242 PolarHBondContact NE2-O 3.34Å; F234-P242 HydrophobicContact CD2-CB 3.24Å; F234-P242 HydrophobicContact CE2-CB 3.45Å; F234-P242 VanDerWaalsContact CE2-CB 3.45Å; F234-P242 HydrophobicContact CE2-CG 4.49Å; F234-P242 HydrophobicContact CG-CB 3.86Å; F234-P242 HydrophobicContact CZ-CB 4.23Å
243G92.4Very high92.3Very high14 Ų1442.6 Ų42.614%0.14422%0.222CC..  trans-64.6-171.8173.700000112.2F235 R241F235-G243 PolarHBondContact O-N 3.23Å; R241-G243 PolarHBondContact O-N 3.05Å
244F94.7Very high92.5Very high4 Ų440.5 Ų40.52%0.01821%0.213CC..PPolyproline II helixtrans-61.2149.5174.466.8-86000112.2E3 S5 F6 R92 F234 F235 M246E3-F244 PolarHBondContact O-N 2.66Å; S5-F244 VanDerWaalsContact C-CZ 3.48Å; S5-F244 VanDerWaalsContact N-CE1 3.34Å; F6-F244 HydrophobicContact CB-CZ 4.35Å; F6-F244 AromaticContact CD1-CZ 3.9Å; F6-F244 HydrophobicContact CD1-CZ 3.9Å; F6-F244 AromaticContact CD2-CE2 3.87Å; F6-F244 HydrophobicContact CD2-CE2 3.87Å; F6-F244 AromaticContact CD2-CZ 3.82Å; F6-F244 HydrophobicContact CD2-CZ 3.82Å; F6-F244 HydrophobicContact CE1-CZ 4.13Å; F6-F244 AromaticContact CE2-CE2 3.9Å; F6-F244 HydrophobicContact CE2-CE2 3.9Å; F6-F244 HydrophobicContact CE2-CZ 4.07Å; F6-F244 HydrophobicContact CG-CE2 4.26Å; F6-F244 AromaticContact CG-CZ 3.72Å; F6-F244 HydrophobicContact CG-CZ 3.72Å; F6-F244 HydrophobicContact CZ-CE2 4.32Å; F6-F244 HydrophobicContact CZ-CZ 4.22Å; R92-F244 HydrophobicContact CB-CD2 3.73Å; R92-F244 HydrophobicContact CB-CE2 3.76Å; R92-F244 HydrophobicContact CG-CD2 3.46Å; R92-F244 VanDerWaalsContact CG-CD2 3.46Å; R92-F244 HydrophobicContact CG-CE2 3.85Å; R92-F244 HydrophobicContact CG-CG 4.2Å; F234-F244 WeakPolarHBondContact CB-O 3.34Å; F235-F244 HydrophobicContact CD2-CE1 4.44Å; F244-M246 HydrophobicContact CD2-CG 4.33Å; F244-M246 HydrophobicContact CE2-CB 4.4Å; F244-M246 HydrophobicContact CE2-CG 3.81Å; F244-M246 HydrophobicContact CZ-CG 4.32Å; F244-M246 PolarHBondContact O-N 3.12Å
245A96.1Very high92.6Very high6 Ų639.8 Ų39.85%0.0521%0.211CC..PPolyproline II helixtrans-67.1119.2168.600000110.1D213 L232 E233D213-A245 HydrophobicContact CB-CB 3.86Å; L232-A245 HydrophobicContact CD2-CB 4.43Å; E233-A245 CarbonylContact O-C 3.52Å; E233-A245 WeakPolarHBondContact O-CA 3.3Å
246M97.3Very high92.8Very high5 Ų541.6 Ų41.63%0.02522%0.221CC..BIsolated β-bridgetrans-75.8131.2-179.2-57.5-178.3-77.200110.1F6 L160 R168 E233 F235 F244 L248F6-M246 HydrophobicContact CE1-CG 4.35Å; F6-M246 HydrophobicContact CE1-SD 3.85Å; F6-M246 HydrophobicContact CE2-CB 4.03Å; F6-M246 HydrophobicContact CE2-CG 4.03Å; F6-M246 HydrophobicContact CE2-SD 4.39Å; F6-M246 HydrophobicContact CZ-CB 3.91Å; F6-M246 HydrophobicContact CZ-CG 3.56Å; F6-M246 HydrophobicContact CZ-SD 3.38Å; F6-M246 WeakPolarHBondContact CZ-SD 3.43Å; L160-M246 HydrophobicContact CD2-SD 4.05Å; R168-M246 HydrophobicContact CG-CE 4.32Å; E233-M246 HydrophobicContact CB-CE 3.5Å; E233-M246 PolarHBondContact O-N 2.64Å; F235-M246 HydrophobicContact CD1-SD 4.49Å; F235-M246 HydrophobicContact CD2-SD 4.26Å; F235-M246 HydrophobicContact CE1-SD 4.24Å; F235-M246 HydrophobicContact CE2-SD 4Å; F235-M246 HydrophobicContact CZ-SD 4.01Å; F244-M246 HydrophobicContact CD2-CG 4.33Å; F244-M246 HydrophobicContact CE2-CB 4.4Å; F244-M246 HydrophobicContact CE2-CG 3.81Å; F244-M246 HydrophobicContact CZ-CG 4.32Å; F244-M246 PolarHBondContact O-N 3.12Å; M246-L248 VanDerWaalsContact C-N 3.29Å; M246-L248 HydrophobicContact CB-CD1 3.95Å; M246-L248 HydrophobicContact CB-CD2 4.41Å; M246-L248 HydrophobicContact CB-CG 3.78Å; M246-L248 HydrophobicContact CE-CD1 4.18Å; M246-L248 PolarHBondContact O-N 3.17Å; M246-L248 HydrophobicContact SD-CD1 4.35Å
247H98.2Very high93.1Very high1 Ų138.1 Ų38.11%0.00520%0.202CC..  trans-83.771.3177.1-62.8169.4000110.3D85 F90 R92 A93 F220 N250D85-H247 IonicContact OD2-CE1 3.59Å; D85-H247 IonicContact OD2-CG 3.74Å; D85-H247 IonicContact OD2-ND1 2.78Å; D85-H247 PolarHBondContact OD2-ND1 3.45Å; F90-H247 AromaticContact CD2-CE1 3.91Å; F90-H247 AromaticContact CG-CE1 3.85Å; R92-H247 HydrophobicContact CB-CB 4.44Å; R92-H247 PolarHBondContact O-N 2.78Å; A93-H247 HydrophobicContact CB-CB 4.23Å; F220-H247 HydrophobicContact CD1-CB 4.3Å; F220-H247 AromaticContact CD1-ND1 3.96Å; F220-H247 HydrophobicContact CE1-CB 3.99Å; H247-N250 PolarHBondContact O-ND2 3.29Å
248L96.9Very high93.7Very high12 Ų1240 Ų406%0.06321%0.214CC..  trans-97.6176.5-179.7-57.4177.9000112L94 L160 R229 E233 M246 N250L94-L248 HydrophobicContact CD1-CD2 3.54Å; L94-L248 HydrophobicContact CG-CD2 3.9Å; L160-L248 HydrophobicContact CD1-CD1 3.95Å; R229-L248 PolarHBondContact NH1-O 3.14Å; R229-L248 PolarHBondContact NH2-O 2.98Å; E233-L248 HydrophobicContact CB-CD1 4.37Å; M246-L248 VanDerWaalsContact C-N 3.29Å; M246-L248 HydrophobicContact CB-CD1 3.95Å; M246-L248 HydrophobicContact CB-CD2 4.41Å; M246-L248 HydrophobicContact CB-CG 3.78Å; M246-L248 HydrophobicContact CE-CD1 4.18Å; M246-L248 PolarHBondContact O-N 3.17Å; M246-L248 HydrophobicContact SD-CD1 4.35Å; L248-N250 PolarHBondContact O-N 2.84Å; L248-N250 PolarHBondContact O-OD1 3.04Å
249D95.2Very high94.4Very high64 Ų6441.7 Ų41.734%0.34222%0.221SC..  trans48.755.3173-66.7-32.2000114.4K52K52-D249 IonicContact NZ-OD1 2.75Å
250N98.2Very high95.2Very high2 Ų238.2 Ų38.21%0.01120%0.197CC..  trans-95.26.1-177.3-47.2-71.7000112.5A77 E78 A81 R229 H247 L248 R252 G253A77-N250 WeakPolarHBondContact CB-O 3.32Å; E78-N250 PolarHBondContact OE1-N 3.28Å; E78-N250 VanDerWaalsContact OE1-N 3.12Å; E78-N250 WeakPolarHBondContact OE2-CB 3.41Å; E78-N250 PolarHBondContact OE2-N 3.14Å; E78-N250 VanDerWaalsContact OE2-N 3.09Å; E78-N250 PolarHBondContact OE2-ND2 3.46Å; A81-N250 HydrophobicContact CB-CB 3.37Å; R229-N250 PolarHBondContact NH2-OD1 3.35Å; H247-N250 PolarHBondContact O-ND2 3.29Å; L248-N250 PolarHBondContact O-N 2.84Å; L248-N250 PolarHBondContact O-OD1 3.04Å; N250-R252 PolarHBondContact O-N 3.35Å; N250-G253 PolarHBondContact O-N 3.02Å
251G97.6Very high96.1Very high0 Ų031.7 Ų31.70%016%0.162CC..THydrogen-bonded Turntrans-57.9-19.8-178.100000114.7E73 R74 E78E73-G251 CarbonylContact C-O 3.54Å; E73-G251 WeakPolarHBondContact CA-O 3.38Å; R74-G251 PolarHBondContact N-O 3.31Å; E78-G251 VanDerWaalsContact CD-N 3.31Å; E78-G251 PolarHBondContact OE1-N 2.96Å
252R97.4Very high96.7Very high14 Ų1427.7 Ų27.75%0.05315%0.147CC..THydrogen-bonded Turntrans-93.82.5175-75.3174.8169.4169-2.3114.4Y68 F69 D71 E73 R74 D228 N250Y68-R252 WeakPolarHBondContact O-CD 3.46Å; Y68-R252 PolarHBondContact O-NE 3.48Å; Y68-R252 VanDerWaalsContact O-NE 3.12Å; Y68-R252 PolarHBondContact O-NH1 3.27Å; F69-R252 PolarHBondContact O-NH2 2.93Å; D71-R252 HydrophobicContact CB-CG 4.5Å; D71-R252 PolarHBondContact O-NE 2.94Å; D71-R252 VanDerWaalsContact O-NE 3.11Å; D71-R252 PolarHBondContact O-NH2 3.49Å; E73-R252 HydrophobicContact CG-CG 4.48Å; R74-R252 PolarHBondContact NH2-O 3.43Å; D228-R252 HydrophobicContact CB-CB 4.18Å; D228-R252 HydrophobicContact CB-CG 4.48Å; D228-R252 VanDerWaalsContact CG-CD 3.46Å; D228-R252 IonicContact OD1-CZ 2.72Å; D228-R252 IonicContact OD1-NH1 3.45Å; D228-R252 PolarHBondContact OD1-NH1 2.78Å; D228-R252 VanDerWaalsContact OD2-CD 3.31Å; D228-R252 WeakPolarHBondContact OD2-CD 3.16Å; D228-R252 IonicContact OD2-CZ 3.54Å; D228-R252 IonicContact OD2-NE 3.53Å; D228-R252 IonicContact OD2-NH1 3.67Å; D228-R252 PolarHBondContact OD2-NH1 3.41Å; N250-R252 PolarHBondContact O-N 3.35Å
253G98.2Very high97.3Very high0 Ų028.2 Ų28.20%015%0.148CC..SBendtrans-67.2167.2167.800000112.7R74 A77 N250 G255R74-G253 PolarHBondContact NE-O 3.31Å; R74-G253 PolarHBondContact NH2-O 2.68Å; A77-G253 WeakPolarHBondContact CB-O 3.44Å; N250-G253 PolarHBondContact O-N 3.02Å; G253-G255 PolarHBondContact O-N 3.42Å; G253-G255 VanDerWaalsContact O-N 3.12Å
254F98.4Very high97.6Very high4 Ų428.4 Ų28.42%0.01815%0.145CC..SBendtrans51.537174.6-54.5-78.1000114A77 A80 T224 L309 H313A77-F254 HydrophobicContact CB-CD2 3.96Å; A80-F254 HydrophobicContact CB-CD2 4.11Å; A80-F254 HydrophobicContact CB-CE2 3.53Å; A80-F254 HydrophobicContact CB-CZ 3.97Å; T224-F254 HydrophobicContact CG2-CE2 3.77Å; T224-F254 HydrophobicContact CG2-CZ 3.72Å; T224-F254 WeakPolarHBondContact O-CA 3.06Å; T224-F254 PolarHBondContact O-N 2.99Å; F254-L309 HydrophobicContact CB-CD2 4.02Å; F254-L309 HydrophobicContact CD1-CD1 3.91Å; F254-L309 HydrophobicContact CD1-CD2 3.95Å; F254-L309 HydrophobicContact CD2-CD2 4Å; F254-L309 HydrophobicContact CE1-CD1 3.62Å; F254-L309 HydrophobicContact CE1-CD2 4.39Å; F254-L309 HydrophobicContact CE2-CD1 4.46Å; F254-L309 HydrophobicContact CE2-CD2 4.44Å; F254-L309 HydrophobicContact CG-CD1 4.43Å; F254-L309 HydrophobicContact CG-CD2 3.71Å; F254-L309 HydrophobicContact CZ-CD1 3.91Å; F254-H313 HydrophobicContact CD1-CB 4.03Å; F254-H313 PolarHBondContact O-CE1 2.85Å
255G97.8Very high97.8Very high5 Ų528.2 Ų28.25%0.05215%0.145CC..SBendtrans-87.3-24.9179.300000114.7E61 T62 G253E61-G255 CarbonylContact C-O 3.37Å; E61-G255 WeakPolarHBondContact CA-O 3.38Å; T62-G255 WeakPolarHBondContact CB-O 3.38Å; T62-G255 PolarHBondContact N-O 2.79Å; T62-G255 VanDerWaalsContact OG1-CA 3.29Å; T62-G255 WeakPolarHBondContact OG1-CA 3.32Å; T62-G255 PolarHBondContact OG1-O 3.46Å; G253-G255 PolarHBondContact O-N 3.42Å; G253-G255 VanDerWaalsContact O-N 3.12Å
256N97.9Very high97.9Very high42 Ų4229.1 Ų29.123%0.22515%0.149CC..  trans-142.1116.1179.7-164.6-29.8000110.3E61 N258 L259 R320E61-N256 WeakPolarHBondContact OE2-CA 3.4Å; E61-N256 PolarHBondContact OE2-N 2.92Å; N256-N258 WeakPolarHBondContact OD1-CA 3.21Å; N256-N258 PolarHBondContact OD1-N 2.92Å; N256-L259 HydrophobicContact CB-CB 4.01Å; N256-L259 VanDerWaalsContact CG-CB 3.5Å; N256-L259 WeakPolarHBondContact ND2-CB 3.46Å; N256-L259 PolarHBondContact OD1-N 3.23Å; N256-R320 PolarHBondContact O-NH2 3.27Å
257S98.4Very high98Very high2 Ų229.1 Ų29.11%0.01415%0.149CC..SBendtrans-79.9-17.3175.864.80000114.2E61 A316 R319E61-S257 WeakPolarHBondContact OE1-CB 3.14Å; E61-S257 PolarHBondContact OE1-N 2.84Å; E61-S257 PolarHBondContact OE1-OG 3.37Å; E61-S257 PolarHBondContact OE2-N 3Å; S257-A316 WeakPolarHBondContact O-CB 3.42Å; S257-R319 PolarHBondContact O-NH2 3.07Å
258N98Very high98Very high134 Ų13429.1 Ų29.172%0.71715%0.149SC*.SBendtrans-104.1-2.5-174.6-61.2-52.8000113.8N256N256-N258 WeakPolarHBondContact OD1-CA 3.21Å; N256-N258 PolarHBondContact OD1-N 2.92Å
259L97.8Very high98.1Very high86 Ų8630.6 Ų30.645%0.4516%0.156SC..  trans-116.7126.2178.917865.6000110N256 R320N256-L259 HydrophobicContact CB-CB 4.01Å; N256-L259 VanDerWaalsContact CG-CB 3.5Å; N256-L259 WeakPolarHBondContact ND2-CB 3.46Å; N256-L259 PolarHBondContact OD1-N 3.23Å; L259-R320 PolarHBondContact O-NH2 2.94Å
260D98.3Very high98.2Very high33 Ų3328.6 Ų28.618%0.17615%0.145CC..  trans-110.3101.2169.2-54-40.6000108.1F222 Y262 R319 R320 L323F222-D260 HydrophobicContact CE2-CB 4.34Å; F222-D260 HydrophobicContact CZ-CB 4.18Å; D260-Y262 PolarHBondContact O-N 3.05Å; D260-Y262 VanDerWaalsContact O-N 3.16Å; D260-R319 VanDerWaalsContact CG-NH2 3.33Å; D260-R319 IonicContact OD1-CZ 3.31Å; D260-R319 IonicContact OD1-NE 2.68Å; D260-R319 IonicContact OD1-NH2 3.17Å; D260-R319 PolarHBondContact OD1-NH2 3.33Å; D260-R319 IonicContact OD2-CZ 3.75Å; D260-R319 VanDerWaalsContact OD2-CZ 3.31Å; D260-R319 IonicContact OD2-NE 3.59Å; D260-R319 PolarHBondContact OD2-NE 3.2Å; D260-R319 IonicContact OD2-NH2 3.66Å; D260-R319 PolarHBondContact OD2-NH2 2.92Å; D260-R320 HydrophobicContact CB-CG 4.44Å; D260-R320 VanDerWaalsContact OD1-CG 3.23Å; D260-R320 WeakPolarHBondContact OD1-CG 3.46Å; D260-R320 IonicContact OD1-CZ 2.72Å; D260-R320 IonicContact OD1-NE 3.34Å; D260-R320 PolarHBondContact OD1-NE 2.81Å; D260-R320 IonicContact OD1-NH2 3.58Å; D260-L323 HydrophobicContact CB-CD1 4.08Å
261D98.1Very high98.2Very high27 Ų2728.6 Ų28.614%0.14415%0.145CC..  trans-82.695.3-173.8178.223.5000111.2R177 F222 Q227 D263 I264R177-D261 IonicContact CZ-OD2 3.17Å; R177-D261 IonicContact NH2-OD1 3.65Å; R177-D261 IonicContact NH2-OD2 3.87Å; R177-D261 PolarHBondContact NH2-OD2 3.42Å; F222-D261 WeakPolarHBondContact CD2-O 3.33Å; Q227-D261 WeakPolarHBondContact CG-OD2 2.99Å; Q227-D261 PolarHBondContact NE2-OD2 3.13Å; D261-D263 PolarHBondContact O-N 3.31Å; D261-D263 VanDerWaalsContact O-N 3.16Å; D261-D263 WeakPolarHBondContact OD1-CB 3.22Å; D261-D263 PolarHBondContact OD1-N 2.78Å; D261-I264 HydrophobicContact CB-CD1 3.89Å; D261-I264 HydrophobicContact CB-CG1 4.16Å; D261-I264 WeakPolarHBondContact O-CB 3.31Å; D261-I264 WeakPolarHBondContact O-CG1 3.14Å; D261-I264 PolarHBondContact O-N 3.24Å; D261-I264 VanDerWaalsContact O-N 3.07Å; D261-I264 WeakPolarHBondContact OD2-CG1 3.36Å
262Y98.1Very high98.3Very high92 Ų9229.5 Ų29.536%0.36115%0.151SC..G310 helixtrans-59.9-21.8-179.7-90-93.4000114.2D260 I264 L265 L266 M269 L323D260-Y262 PolarHBondContact O-N 3.05Å; D260-Y262 VanDerWaalsContact O-N 3.16Å; Y262-I264 PolarHBondContact O-N 2.92Å; Y262-L265 PolarHBondContact O-N 2.85Å; Y262-L266 PolarHBondContact O-N 3.07Å; Y262-M269 HydrophobicContact CD1-SD 4.19Å; Y262-L323 HydrophobicContact CE2-CD1 4.05Å; Y262-L323 WeakPolarHBondContact OH-CD2 3.44Å
263D98.5Very high98.3Very high45 Ų4529.1 Ų29.124%0.24115%0.15CC..G310 helixtrans-57.8-33.4173.8-81.2-5.7000111.7R177 W188 Q189 D261 L265 L266R177-D263 IonicContact CZ-OD2 3.97Å; R177-D263 IonicContact NH1-OD2 2.8Å; R177-D263 PolarHBondContact NH1-OD2 3.3Å; R177-D263 IonicContact NH2-OD2 2.71Å; R177-D263 PolarHBondContact NH2-OD2 2.66Å; W188-D263 HydrophobicContact CH2-CB 4.19Å; W188-D263 HydrophobicContact CZ3-CB 3.9Å; W188-D263 WeakPolarHBondContact CZ3-O 2.99Å; Q189-D263 PolarHBondContact NE2-OD2 3.4Å; D261-D263 PolarHBondContact O-N 3.31Å; D261-D263 VanDerWaalsContact O-N 3.16Å; D261-D263 WeakPolarHBondContact OD1-CB 3.22Å; D261-D263 PolarHBondContact OD1-N 2.78Å; D263-L265 PolarHBondContact O-N 3.18Å; D263-L266 HydrophobicContact CB-CD1 4.47Å; D263-L266 WeakPolarHBondContact O-CB 3.43Å; D263-L266 PolarHBondContact O-N 3.34Å
264I98.8Very high98.3Very high18 Ų1829.1 Ų29.19%0.09215%0.15CC..G310 helixtrans-64.9-32.2178.3-55.5169.7000110.4C218 D221 F222 Q227 D261 Y262 P267C218-I264 WeakPolarHBondContact CB-O 3.35Å; D221-I264 HydrophobicContact CB-CG2 3.7Å; F222-I264 HydrophobicContact CB-CB 4.29Å; F222-I264 HydrophobicContact CB-CG2 3.95Å; F222-I264 HydrophobicContact CD2-CB 4.29Å; Q227-I264 HydrophobicContact CG-CD1 3.87Å; Q227-I264 HydrophobicContact CG-CG1 4.28Å; D261-I264 HydrophobicContact CB-CD1 3.89Å; D261-I264 HydrophobicContact CB-CG1 4.16Å; D261-I264 WeakPolarHBondContact O-CB 3.31Å; D261-I264 WeakPolarHBondContact O-CG1 3.14Å; D261-I264 PolarHBondContact O-N 3.24Å; D261-I264 VanDerWaalsContact O-N 3.07Å; D261-I264 WeakPolarHBondContact OD2-CG1 3.36Å; Y262-I264 PolarHBondContact O-N 2.92Å; I264-P267 WeakPolarHBondContact O-CD 3.25Å
265L98.3Very high98.3Very high0 Ų030.2 Ų30.20%015%0.154CC..G310 helixtrans-87.2-8-176.2-154.860.6000113.1I219 F222 Y262 D263 P267 L268 M269 V324 E327I219-L265 HydrophobicContact CG1-CD1 4.34Å; F222-L265 HydrophobicContact CB-CD1 3.99Å; F222-L265 HydrophobicContact CD1-CD1 4.22Å; F222-L265 HydrophobicContact CD1-CD2 4.22Å; F222-L265 HydrophobicContact CD2-CB 3.97Å; F222-L265 HydrophobicContact CD2-CD2 4.49Å; F222-L265 HydrophobicContact CE1-CD2 4.14Å; F222-L265 HydrophobicContact CE2-CB 4.36Å; F222-L265 HydrophobicContact CE2-CD2 4.43Å; F222-L265 HydrophobicContact CG-CB 4.24Å; F222-L265 HydrophobicContact CG-CD1 4.03Å; F222-L265 HydrophobicContact CG-CD2 4.38Å; F222-L265 HydrophobicContact CG-CG 4.47Å; F222-L265 HydrophobicContact CZ-CD2 4.24Å; Y262-L265 PolarHBondContact O-N 2.85Å; D263-L265 PolarHBondContact O-N 3.18Å; L265-P267 VanDerWaalsContact C-N 3.3Å; L265-P267 VanDerWaalsContact O-N 3.14Å; L265-L268 HydrophobicContact CD1-CB 4.27Å; L265-L268 HydrophobicContact CD1-CD2 3.95Å; L265-L268 HydrophobicContact CG-CB 4.38Å; L265-L268 HydrophobicContact CG-CD2 4.22Å; L265-L268 WeakPolarHBondContact O-CB 3.38Å; L265-L268 PolarHBondContact O-N 3.2Å; L265-M269 HydrophobicContact CB-SD 4.42Å; L265-M269 PolarHBondContact O-N 3.29Å; L265-V324 HydrophobicContact CD1-CG2 4.01Å; L265-V324 HydrophobicContact CD2-CG2 4.3Å; L265-E327 HydrophobicContact CD2-CB 4.24Å; L265-E327 HydrophobicContact CD2-CG 3.57Å; L265-E327 HydrophobicContact CG-CG 4.4Å
266L98.7Very high98.3Very high26 Ų2631.5 Ų31.514%0.13616%0.161CC..Hα-helixtrans-51.8-35.1179.2-75.2177.4000115.2Y175 W188 Y262 D263 L268 M269 Q270Y175-L266 HydrophobicContact CE1-CB 4.47Å; W188-L266 HydrophobicContact CE3-CB 4.45Å; W188-L266 HydrophobicContact CE3-CD1 3.68Å; W188-L266 HydrophobicContact CZ3-CD1 3.78Å; Y262-L266 PolarHBondContact O-N 3.07Å; D263-L266 HydrophobicContact CB-CD1 4.47Å; D263-L266 WeakPolarHBondContact O-CB 3.43Å; D263-L266 PolarHBondContact O-N 3.34Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 3.45Å; L266-M269 HydrophobicContact CD2-SD 4.07Å; L266-M269 PolarHBondContact O-N 3.48Å; L266-Q270 HydrophobicContact CD2-CG 4.49Å; L266-Q270 VanDerWaalsContact O-CB 3.24Å; L266-Q270 WeakPolarHBondContact O-CB 3.25Å; L266-Q270 VanDerWaalsContact O-CG 3.24Å; L266-Q270 WeakPolarHBondContact O-CG 3.43Å; L266-Q270 PolarHBondContact O-N 2.9Å
267P98.7Very high98.3Very high5 Ų534 Ų343%0.03218%0.178CC..Hα-helixtrans-57.2-42.5173.1-21.831.6000113Y175 I215 C218 I264 L265 C271Y175-P267 HydrophobicContact CD1-CG 3.8Å; Y175-P267 HydrophobicContact CD2-CB 4.03Å; Y175-P267 HydrophobicContact CD2-CG 3.66Å; Y175-P267 HydrophobicContact CE1-CB 4.31Å; Y175-P267 HydrophobicContact CE1-CG 3.95Å; Y175-P267 HydrophobicContact CE2-CB 3.7Å; Y175-P267 HydrophobicContact CE2-CG 3.81Å; Y175-P267 HydrophobicContact CG-CB 4.46Å; Y175-P267 HydrophobicContact CG-CG 3.65Å; I215-P267 HydrophobicContact CD1-CB 3.59Å; I215-P267 VanDerWaalsContact CD1-O 3.25Å; I215-P267 WeakPolarHBondContact CD1-O 3.39Å; C218-P267 HydrophobicContact CB-CB 4.05Å; C218-P267 HydrophobicContact CB-CG 3.75Å; I264-P267 WeakPolarHBondContact O-CD 3.25Å; L265-P267 VanDerWaalsContact C-N 3.3Å; L265-P267 VanDerWaalsContact O-N 3.14Å; P267-C271 WeakPolarHBondContact O-CB 3.31Å; P267-C271 PolarHBondContact O-N 3.48Å; P267-C271 PolarHBondContact O-SG 3.5Å
268L98.7Very high98.3Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-65.4-49176.5173.563.6000110I215 I219 L265 L266 Q270 C272 V274 V324 E327 V328I215-L268 HydrophobicContact CG2-CB 4.25Å; I215-L268 HydrophobicContact CG2-CD1 3.92Å; I219-L268 HydrophobicContact CD1-CD2 4.33Å; I219-L268 HydrophobicContact CG1-CD2 4.28Å; L265-L268 HydrophobicContact CD1-CB 4.27Å; L265-L268 HydrophobicContact CD1-CD2 3.95Å; L265-L268 HydrophobicContact CG-CB 4.38Å; L265-L268 HydrophobicContact CG-CD2 4.22Å; L265-L268 WeakPolarHBondContact O-CB 3.38Å; L265-L268 PolarHBondContact O-N 3.2Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 3.45Å; L268-Q270 PolarHBondContact O-N 3.34Å; L268-C272 VanDerWaalsContact O-CA 3.28Å; L268-C272 WeakPolarHBondContact O-CA 3.44Å; L268-C272 PolarHBondContact O-N 2.91Å; L268-V274 HydrophobicContact CD1-CB 4.04Å; L268-V324 HydrophobicContact CD2-CG1 4.18Å; L268-E327 HydrophobicContact CD2-CB 3.96Å; L268-V328 HydrophobicContact CD1-CG2 4.42Å; L268-V328 HydrophobicContact CD2-CG2 4.16Å
269M98.4Very high98.3Very high43 Ų4328.2 Ų28.221%0.21215%0.148CC..Hα-helixtrans-65.3-37.9-174.7-59.4172.370.100113.3Y262 L265 L266 C272 E327 R334Y262-M269 HydrophobicContact CD1-SD 4.19Å; L265-M269 HydrophobicContact CB-SD 4.42Å; L265-M269 PolarHBondContact O-N 3.29Å; L266-M269 HydrophobicContact CD2-SD 4.07Å; L266-M269 PolarHBondContact O-N 3.48Å; M269-C272 PolarHBondContact O-SG 3.01Å; M269-E327 HydrophobicContact CG-CB 4.38Å; M269-E327 HydrophobicContact CG-CG 3.97Å; M269-E327 WeakPolarHBondContact CG-OE2 2.73Å; M269-E327 HydrophobicContact SD-CG 4.42Å; M269-R334 PolarHBondContact O-NH1 2.87Å; M269-R334 PolarHBondContact O-NH2 3.19Å
270Q98.5Very high98.4Very high23 Ų2327.7 Ų27.711%0.10715%0.148CC..Hα-helixtrans-85.9-40.4-177.4-65.91790.700112.2Y175 W188 N191 C195 L266 L268Y175-Q270 PolarHBondContact OH-OE1 2.87Å; W188-Q270 PolarHBondContact O-NE2 2.84Å; N191-Q270 PolarHBondContact O-NE2 3.29Å; C195-Q270 HydrophobicContact CB-CB 3.78Å; L266-Q270 HydrophobicContact CD2-CG 4.49Å; L266-Q270 VanDerWaalsContact O-CB 3.24Å; L266-Q270 WeakPolarHBondContact O-CB 3.25Å; L266-Q270 VanDerWaalsContact O-CG 3.24Å; L266-Q270 WeakPolarHBondContact O-CG 3.43Å; L266-Q270 PolarHBondContact O-N 2.9Å; L268-Q270 PolarHBondContact O-N 3.34Å
271C98.4Very high98.4Very high2 Ų226.9 Ų26.91%0.01415%0.145CC..Hα-helixtrans-80.9-30.9-179.6-58.10000112.4Y175 C195 K200 I215 P267 L273Y175-C271 PolarHBondContact OH-SG 3.05Å; C195-C271 HydrophobicContact CB-CB 3.99Å; C195-C271 WeakPolarHBondContact CB-SG 3.27Å; C195-C271 WeakPolarHBondContact SG-CA 3.36Å; C195-C271 WeakPolarHBondContact SG-CB 3.2Å; C195-C271 CovalentContact SG-SG 2.02Å; C195-C271 PolarHBondContact SG-SG 3.11Å; K200-C271 WeakPolarHBondContact CE-O 3.1Å; K200-C271 PolarHBondContact NZ-O 2.99Å; I215-C271 HydrophobicContact CD1-CB 4.23Å; P267-C271 WeakPolarHBondContact O-CB 3.31Å; P267-C271 PolarHBondContact O-N 3.48Å; P267-C271 PolarHBondContact O-SG 3.5Å; C271-L273 VanDerWaalsContact C-N 3.25Å; C271-L273 HydrophobicContact CB-CG 4.34Å; C271-L273 WeakPolarHBondContact O-CG 3.37Å; C271-L273 PolarHBondContact O-N 2.92Å
272C98.2Very high98.4Very high19 Ų1925.7 Ų25.713%0.12814%0.139CC..  trans47.845.1-172.1-79.70000114.1L268 M269 C331 R334 V342L268-C272 VanDerWaalsContact O-CA 3.28Å; L268-C272 WeakPolarHBondContact O-CA 3.44Å; L268-C272 PolarHBondContact O-N 2.91Å; M269-C272 PolarHBondContact O-SG 3.01Å; C272-C331 WeakPolarHBondContact CA-SG 3.45Å; C272-C331 HydrophobicContact CB-CB 3.62Å; C272-C331 WeakPolarHBondContact CB-SG 3.4Å; C272-C331 WeakPolarHBondContact SG-CA 3.24Å; C272-C331 WeakPolarHBondContact SG-CB 3.49Å; C272-C331 CovalentContact SG-SG 2.06Å; C272-C331 PolarHBondContact SG-SG 2.82Å; C272-R334 PolarHBondContact SG-NH1 2.91Å; C272-R334 PolarHBondContact SG-NH2 2.77Å; C272-V342 WeakPolarHBondContact O-CA 3.35Å
273L97.8Very high98.4Very high5 Ų524.3 Ų24.33%0.02614%0.137CC..  trans-123.5140.7171.7-47.2176.8000107.9I211 L212 I215 C271 V342 L344 Y347I211-L273 HydrophobicContact CD1-CD1 3.95Å; I211-L273 HydrophobicContact CG1-CD1 4.37Å; I211-L273 HydrophobicContact CG2-CD1 4.09Å; L212-L273 HydrophobicContact CD2-CB 3.96Å; I215-L273 WeakPolarHBondContact CG1-O 3.15Å; I215-L273 WeakPolarHBondContact CG2-O 3.38Å; C271-L273 VanDerWaalsContact C-N 3.25Å; C271-L273 HydrophobicContact CB-CG 4.34Å; C271-L273 WeakPolarHBondContact O-CG 3.37Å; C271-L273 PolarHBondContact O-N 2.92Å; L273-V342 CarbonylContact C-O 3.57Å; L273-V342 WeakPolarHBondContact CA-O 3.28Å; L273-L344 HydrophobicContact CD1-CD1 4.46Å; L273-L344 HydrophobicContact CD2-CD1 3.74Å; L273-L344 HydrophobicContact CG-CD1 4.49Å; L273-Y347 HydrophobicContact CD1-CD2 3.41Å; L273-Y347 VanDerWaalsContact CD1-CD2 3.41Å; L273-Y347 HydrophobicContact CD1-CE2 3.68Å; L273-Y347 HydrophobicContact CD1-CG 3.98Å; L273-Y347 HydrophobicContact CD2-CD2 4.39Å; L273-Y347 HydrophobicContact CD2-CE2 4.45Å
274V98.5Very high98.4Very high0 Ų027.3 Ų27.30%015%0.153CC..BIsolated β-bridgetrans-154149.7172.763.20000110I215 I219 L268 T278 V279 V328 V342 L343 L344I215-V274 HydrophobicContact CG2-CB 4.38Å; I215-V274 HydrophobicContact CG2-CG2 4.35Å; I219-V274 HydrophobicContact CD1-CG2 3.86Å; L268-V274 HydrophobicContact CD1-CB 4.04Å; V274-T278 HydrophobicContact CG2-CG2 4.44Å; V274-V279 HydrophobicContact CB-CG2 4.23Å; V274-V279 HydrophobicContact CG1-CG2 3.43Å; V274-V279 VanDerWaalsContact CG1-CG2 3.43Å; V274-V279 HydrophobicContact CG2-CG2 3.72Å; V274-V328 HydrophobicContact CG1-CG1 4.38Å; V274-V328 HydrophobicContact CG1-CG2 4.36Å; V274-V342 HydrophobicContact CG1-CG1 4.16Å; V274-V342 PolarHBondContact N-O 3.49Å; V274-V342 VanDerWaalsContact O-O 3.14Å; V274-L343 HydrophobicContact CG1-CD2 3.57Å; V274-L343 WeakPolarHBondContact O-CA 3.4Å; V274-L344 PolarHBondContact O-N 3.11Å
275R98.2Very high98.4Very high27 Ų2728.1 Ų28.110%0.10216%0.156CC..  trans-74.1134.5179.7-167.8174.3-80.3128.6-1.6110.2D213 D216 T277 T278 V279D213-R275 IonicContact OD1-CZ 2.83Å; D213-R275 IonicContact OD1-NH1 3.72Å; D213-R275 PolarHBondContact OD1-NH1 3.07Å; D213-R275 VanDerWaalsContact OD1-NH1 3.09Å; D213-R275 IonicContact OD1-NH2 2.62Å; D213-R275 PolarHBondContact OD1-NH2 3.44Å; D216-R275 IonicContact OD2-CZ 3.51Å; D216-R275 IonicContact OD2-NH1 2.76Å; D216-R275 PolarHBondContact OD2-NH1 2.62Å; R275-T277 VanDerWaalsContact CD-OG1 3.26Å; R275-T277 WeakPolarHBondContact CD-OG1 3.24Å; R275-T277 VanDerWaalsContact CG-OG1 3.29Å; R275-T277 WeakPolarHBondContact CG-OG1 3.36Å; R275-T277 PolarHBondContact O-N 2.9Å; R275-T278 WeakPolarHBondContact O-CB 3.39Å; R275-T278 PolarHBondContact O-N 2.95Å; R275-V279 PolarHBondContact O-N 3.23Å
276P98.3Very high98.4Very high32 Ų3233 Ų3321%0.20818%0.175CC..Hα-helixtrans-56.2-35.9179-23.828000113.6T278 V279 T280 L343 L344 R345P276-T278 VanDerWaalsContact C-N 3.34Å; P276-V279 PolarHBondContact O-N 2.8Å; P276-T280 WeakPolarHBondContact O-CB 3.36Å; P276-T280 PolarHBondContact O-N 3.13Å; P276-T280 PolarHBondContact O-OG1 3.24Å; P276-L343 HydrophobicContact CG-CB 4.1Å; P276-L344 VanDerWaalsContact CD-O 3.24Å; P276-L344 WeakPolarHBondContact CD-O 3.39Å; P276-R345 HydrophobicContact CG-CG 4.18Å
277T97.9Very high98.4Very high94 Ų9439.1 Ų39.158%0.57720%0.201SC*.Hα-helixtrans-65.9-37.1178.552.50000112R275 T280 S281R275-T277 VanDerWaalsContact CD-OG1 3.26Å; R275-T277 WeakPolarHBondContact CD-OG1 3.24Å; R275-T277 VanDerWaalsContact CG-OG1 3.29Å; R275-T277 WeakPolarHBondContact CG-OG1 3.36Å; R275-T277 PolarHBondContact O-N 2.9Å; T277-T280 PolarHBondContact O-N 3.11Å; T277-S281 WeakPolarHBondContact O-CB 3.4Å; T277-S281 PolarHBondContact O-N 3.12Å
278T98.5Very high98.3Very high3 Ų340.7 Ų40.72%0.01822%0.218CC..Hα-helixtrans-64.7-50.2176.9-52.60000110.2F90 D216 I219 V274 R275 P276 T280 S281 L282F90-T278 HydrophobicContact CE1-CG2 3.96Å; F90-T278 HydrophobicContact CZ-CG2 3.85Å; D216-T278 VanDerWaalsContact CG-OG1 3.28Å; D216-T278 WeakPolarHBondContact OD1-CB 3.48Å; D216-T278 WeakPolarHBondContact OD1-CG2 3.39Å; D216-T278 PolarHBondContact OD1-OG1 3.49Å; D216-T278 PolarHBondContact OD2-OG1 2.72Å; I219-T278 HydrophobicContact CD1-CG2 4.06Å; V274-T278 HydrophobicContact CG2-CG2 4.44Å; R275-T278 WeakPolarHBondContact O-CB 3.39Å; R275-T278 PolarHBondContact O-N 2.95Å; P276-T278 VanDerWaalsContact C-N 3.34Å; T278-T280 VanDerWaalsContact C-N 3.32Å; T278-T280 PolarHBondContact O-N 3.45Å; T278-S281 WeakPolarHBondContact O-CB 3.41Å; T278-S281 PolarHBondContact O-N 3.46Å; T278-L282 HydrophobicContact CG2-CD1 4.37Å; T278-L282 WeakPolarHBondContact O-CG 3.3Å; T278-L282 PolarHBondContact O-N 3.04Å
279V98.6Very high98.3Very high13 Ų1348.7 Ų48.78%0.07926%0.261CS..Hα-helixtrans-60.2-43.2177.2-178.70000111.3V274 R275 P276 S281 L282 L283 V328 L343V274-V279 HydrophobicContact CB-CG2 4.23Å; V274-V279 HydrophobicContact CG1-CG2 3.43Å; V274-V279 VanDerWaalsContact CG1-CG2 3.43Å; V274-V279 HydrophobicContact CG2-CG2 3.72Å; R275-V279 PolarHBondContact O-N 3.23Å; P276-V279 PolarHBondContact O-N 2.8Å; V279-S281 VanDerWaalsContact C-N 3.33Å; V279-S281 PolarHBondContact O-N 3.11Å; V279-L282 PolarHBondContact O-N 3.47Å; V279-L283 HydrophobicContact CG1-CD1 3.77Å; V279-L283 HydrophobicContact CG1-CG 4.16Å; V279-L283 WeakPolarHBondContact O-CB 3.22Å; V279-L283 VanDerWaalsContact O-CG 3.26Å; V279-L283 WeakPolarHBondContact O-CG 3.37Å; V279-L283 PolarHBondContact O-N 3.48Å; V279-V328 HydrophobicContact CG1-CG1 4.29Å; V279-V328 HydrophobicContact CG2-CG1 4.12Å; V279-V328 HydrophobicContact CG2-CG2 4.37Å; V279-L343 HydrophobicContact CG2-CD2 3.87Å
280T98.4Very high98.3Very high74 Ų7450.6 Ų50.645%0.45427%0.271SS..Hα-helixtrans-60.5-43.6177.3-55.70000111.5P276 T277 T278 L283 N284P276-T280 WeakPolarHBondContact O-CB 3.36Å; P276-T280 PolarHBondContact O-N 3.13Å; P276-T280 PolarHBondContact O-OG1 3.24Å; T277-T280 PolarHBondContact O-N 3.11Å; T278-T280 VanDerWaalsContact C-N 3.32Å; T278-T280 PolarHBondContact O-N 3.45Å; T280-L283 PolarHBondContact O-N 3.49Å; T280-N284 WeakPolarHBondContact O-CB 3.3Å; T280-N284 PolarHBondContact O-N 2.66Å; T280-N284 PolarHBondContact O-ND2 3.12Å; T280-N284 PolarHBondContact O-OD1 3.2Å
281S98.4Very high98.3Very high16 Ų1651.7 Ų51.711%0.11228%0.28CS..Hα-helixtrans-59.7-47.8177.1-166.70000111.3L88 T277 T278 V279 N284 F285L88-S281 PolarHBondContact O-OG 2.89Å; T277-S281 WeakPolarHBondContact O-CB 3.4Å; T277-S281 PolarHBondContact O-N 3.12Å; T278-S281 WeakPolarHBondContact O-CB 3.41Å; T278-S281 PolarHBondContact O-N 3.46Å; V279-S281 VanDerWaalsContact C-N 3.33Å; V279-S281 PolarHBondContact O-N 3.11Å; S281-N284 PolarHBondContact O-N 2.82Å; S281-F285 WeakPolarHBondContact O-CD2 3.31Å; S281-F285 PolarHBondContact O-N 2.79Å
282L98.8Very high98.3Very high2 Ų251.6 Ų51.61%0.0128%0.28CS..Hα-helixtrans-63.7-44.8178.3-63.7173.3000112.3L88 I219 L223 T278 V279 N284 F285 Y286 L321 V324 L325L88-L282 HydrophobicContact CD2-CD2 3.99Å; I219-L282 HydrophobicContact CG2-CD1 4.21Å; L223-L282 HydrophobicContact CD1-CD2 4.35Å; T278-L282 HydrophobicContact CG2-CD1 4.37Å; T278-L282 WeakPolarHBondContact O-CG 3.3Å; T278-L282 PolarHBondContact O-N 3.04Å; V279-L282 PolarHBondContact O-N 3.47Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.96Å; L282-F285 PolarHBondContact O-N 2.94Å; L282-Y286 PolarHBondContact O-N 3.12Å; L282-L321 HydrophobicContact CD2-CD1 3.91Å; L282-L321 HydrophobicContact CD2-CG 4.16Å; L282-V324 HydrophobicContact CD1-CG1 3.66Å; L282-L325 HydrophobicContact CB-CD2 3.84Å; L282-L325 HydrophobicContact CB-CG 4.38Å; L282-L325 HydrophobicContact CD1-CD2 4.49Å
283L98.6Very high98.3Very high64 Ų6451.6 Ų51.634%0.33528%0.28SS..Hα-helixtrans-60.9-38.6177-72.3171.2000112V279 T280 F285 Y286 F287 L325V279-L283 HydrophobicContact CG1-CD1 3.77Å; V279-L283 HydrophobicContact CG1-CG 4.16Å; V279-L283 WeakPolarHBondContact O-CB 3.22Å; V279-L283 VanDerWaalsContact O-CG 3.26Å; V279-L283 WeakPolarHBondContact O-CG 3.37Å; V279-L283 PolarHBondContact O-N 3.48Å; T280-L283 PolarHBondContact O-N 3.49Å; L283-F285 VanDerWaalsContact C-N 3.3Å; L283-F285 PolarHBondContact O-N 2.78Å; L283-Y286 PolarHBondContact O-N 3.05Å; L283-F287 HydrophobicContact CB-CD2 4.47Å; L283-F287 HydrophobicContact CD2-CD2 3.98Å; L283-F287 HydrophobicContact CD2-CE2 3.65Å; L283-F287 PolarHBondContact O-N 3.09Å; L283-L325 HydrophobicContact CD2-CD1 4.16Å; L283-L325 HydrophobicContact CD2-CD2 3.91Å; L283-L325 HydrophobicContact CG-CD2 4.08Å
284N98.5Very high98.3Very high107 Ų10756.7 Ų56.757%0.57230%0.302SS*.Hα-helixtrans-62.5-37.1176.9-72.5-19.5000112.1T280 S281 L282 G288T280-N284 WeakPolarHBondContact O-CB 3.3Å; T280-N284 PolarHBondContact O-N 2.66Å; T280-N284 PolarHBondContact O-ND2 3.12Å; T280-N284 PolarHBondContact O-OD1 3.2Å; S281-N284 PolarHBondContact O-N 2.82Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.96Å; N284-G288 WeakPolarHBondContact O-CA 3.14Å; N284-G288 PolarHBondContact O-N 3.34Å
285F98.6Very high98.3Very high35 Ų3557.6 Ų57.615%0.15431%0.309CS..Hα-helixtrans-77.3-31175.1-72.6-63.4000113.2I87 L88 S281 L282 L283 L292 A295 L321I87-F285 HydrophobicContact CB-CZ 4.28Å; I87-F285 HydrophobicContact CG1-CZ 4.44Å; L88-F285 HydrophobicContact CD2-CD2 4Å; L88-F285 HydrophobicContact CD2-CE2 3.9Å; S281-F285 WeakPolarHBondContact O-CD2 3.31Å; S281-F285 PolarHBondContact O-N 2.79Å; L282-F285 PolarHBondContact O-N 2.94Å; L283-F285 VanDerWaalsContact C-N 3.3Å; L283-F285 PolarHBondContact O-N 2.78Å; F285-L292 HydrophobicContact CB-CB 3.95Å; F285-L292 HydrophobicContact CD1-CB 4.29Å; F285-L292 HydrophobicContact CD1-CD1 4.2Å; F285-L292 HydrophobicContact CD2-CD1 3.82Å; F285-L292 HydrophobicContact CE1-CD1 4.28Å; F285-L292 HydrophobicContact CE2-CD1 3.92Å; F285-L292 HydrophobicContact CG-CB 4.05Å; F285-L292 HydrophobicContact CG-CD1 3.98Å; F285-L292 HydrophobicContact CZ-CD1 4.14Å; F285-A295 HydrophobicContact CD1-CB 4.22Å; F285-A295 HydrophobicContact CE1-CB 3.56Å; F285-A295 HydrophobicContact CZ-CB 4.4Å; F285-L321 HydrophobicContact CB-CD1 3.93Å
286Y98.4Very high98.4Very high102 Ų10256.3 Ų56.340%0.430%0.304SS..Hα-helixtrans-73.2-44.9178.8-169.7-106.2000112.9L282 L283 L321 E322 L325L282-Y286 PolarHBondContact O-N 3.12Å; L283-Y286 PolarHBondContact O-N 3.05Å; Y286-L321 HydrophobicContact CD2-CD2 3.66Å; Y286-L321 HydrophobicContact CG-CD2 4.08Å; Y286-E322 HydrophobicContact CE2-CB 3.9Å; Y286-E322 HydrophobicContact CE2-CG 3.83Å; Y286-L325 HydrophobicContact CD1-CD1 4.06Å; Y286-L325 HydrophobicContact CD2-CD1 4.01Å; Y286-L325 HydrophobicContact CG-CD1 3.6Å
287F98.2Very high98.4Very high156 Ų15657.8 Ų57.868%0.68431%0.31SS*.Hα-helixtrans-98.9-11.9-176.3-69.5-64.8000114L283L283-F287 HydrophobicContact CB-CD2 4.47Å; L283-F287 HydrophobicContact CD2-CD2 3.98Å; L283-F287 HydrophobicContact CD2-CE2 3.65Å; L283-F287 PolarHBondContact O-N 3.09Å
288G97.1Very high98.4Very high38 Ų3857.7 Ų57.739%0.39231%0.306SS..SBendtrans-80.3170.9-178.100000114.1N284 I290N284-G288 WeakPolarHBondContact O-CA 3.14Å; N284-G288 PolarHBondContact O-N 3.34Å; G288-I290 PolarHBondContact O-N 2.71Å
289D97.5Very high98.4Very high167 Ų16759.2 Ų59.289%0.89332%0.317SS*.SBendtrans-68.8-20.4-177.2-60.4-42.5000114.1
290I98.2Very high98.4Very high84 Ų8458.7 Ų58.743%0.43131%0.314SS..SBendtrans-119.8109.1-177.9-55.9178.6000108.2G288 K294 A295G288-I290 PolarHBondContact O-N 2.71Å; I290-K294 HydrophobicContact CG2-CB 4.05Å; I290-K294 HydrophobicContact CG2-CD 4.26Å; I290-K294 HydrophobicContact CG2-CG 4.11Å; I290-A295 HydrophobicContact CG2-CB 4.04Å
291P98.3Very high98.3Very high46 Ų4657.5 Ų57.530%0.29931%0.312SS..  trans-66.9160.4176.728.1-34.5000111.4S293 K294 A295P291-S293 VanDerWaalsContact C-N 3.29Å; P291-S293 PolarHBondContact O-N 2.8Å; P291-K294 HydrophobicContact CG-CB 3.89Å; P291-K294 PolarHBondContact O-N 3.24Å; P291-K294 VanDerWaalsContact O-N 3.13Å; P291-A295 PolarHBondContact O-N 2.96Å
292L98.8Very high98.1Very high0 Ų063.2 Ų63.20%034%0.341CS..Hα-helixtrans-57.6-43.1-176.5-179.961.3000111.6L84 I87 L88 L223 F285 K294 A295 L296 L317 D318 L321L84-L292 HydrophobicContact CD1-CD1 3.9Å; L84-L292 HydrophobicContact CD1-CD2 4.09Å; L84-L292 HydrophobicContact CD1-CG 4.26Å; I87-L292 HydrophobicContact CD1-CD1 3.59Å; I87-L292 HydrophobicContact CG1-CD1 4.13Å; L88-L292 HydrophobicContact CD2-CD1 4.02Å; L88-L292 HydrophobicContact CD2-CD2 4.45Å; L88-L292 HydrophobicContact CG-CD1 4.45Å; L223-L292 HydrophobicContact CD1-CD2 4.39Å; F285-L292 HydrophobicContact CB-CB 3.95Å; F285-L292 HydrophobicContact CD1-CB 4.29Å; F285-L292 HydrophobicContact CD1-CD1 4.2Å; F285-L292 HydrophobicContact CD2-CD1 3.82Å; F285-L292 HydrophobicContact CE1-CD1 4.28Å; F285-L292 HydrophobicContact CE2-CD1 3.92Å; F285-L292 HydrophobicContact CG-CB 4.05Å; F285-L292 HydrophobicContact CG-CD1 3.98Å; F285-L292 HydrophobicContact CZ-CD1 4.14Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-K294 PolarHBondContact O-N 2.89Å; L292-A295 PolarHBondContact O-N 2.94Å; L292-L296 WeakPolarHBondContact O-CB 3.48Å; L292-L296 PolarHBondContact O-N 3Å; L292-L317 HydrophobicContact CD2-CD1 4Å; L292-L317 HydrophobicContact CD2-CD2 3.89Å; L292-L317 HydrophobicContact CD2-CG 3.68Å; L292-L317 HydrophobicContact CG-CD2 3.72Å; L292-L317 HydrophobicContact CG-CG 4Å; L292-D318 PolarHBondContact N-OD1 3.39Å; L292-L321 HydrophobicContact CB-CD1 3.92Å; L292-L321 HydrophobicContact CD2-CB 4.48Å; L292-L321 HydrophobicContact CD2-CD1 3.62Å; L292-L321 HydrophobicContact CG-CD1 4.35Å
293S98.6Very high98.1Very high19 Ų1963.5 Ų63.513%0.13334%0.342CS..Hα-helixtrans-52.3-48.6175.263.30000113.1P291 L296 N297 L314 D318P291-S293 VanDerWaalsContact C-N 3.29Å; P291-S293 PolarHBondContact O-N 2.8Å; S293-L296 PolarHBondContact O-N 3.17Å; S293-N297 WeakPolarHBondContact O-CB 3.14Å; S293-N297 PolarHBondContact O-N 2.99Å; S293-L314 WeakPolarHBondContact CB-O 3.45Å; S293-D318 VanDerWaalsContact CB-CG 3.49Å; S293-D318 WeakPolarHBondContact CB-OD1 3.14Å; S293-D318 WeakPolarHBondContact CB-OD2 3.06Å; S293-D318 PolarHBondContact N-OD1 2.83Å; S293-D318 VanDerWaalsContact OG-CG 3.29Å; S293-D318 PolarHBondContact OG-OD1 3.49Å; S293-D318 PolarHBondContact OG-OD2 3.15Å
294K98.6Very high97.8Very high112 Ų11265.8 Ų65.849%0.48735%0.351SS..Hα-helixtrans-70.3-40.4-179.5-174.1174.1-179.2-177.30111.3I290 P291 L292 N297 N298I290-K294 HydrophobicContact CG2-CB 4.05Å; I290-K294 HydrophobicContact CG2-CD 4.26Å; I290-K294 HydrophobicContact CG2-CG 4.11Å; P291-K294 HydrophobicContact CG-CB 3.89Å; P291-K294 PolarHBondContact O-N 3.24Å; P291-K294 VanDerWaalsContact O-N 3.13Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-K294 PolarHBondContact O-N 2.89Å; K294-N297 PolarHBondContact O-N 2.92Å; K294-N298 WeakPolarHBondContact O-CB 3.44Å; K294-N298 PolarHBondContact O-N 2.79Å; K294-N298 PolarHBondContact O-ND2 3.01Å
295A98.7Very high97.7Very high18 Ų1860.8 Ų60.815%0.14933%0.325CS..Hα-helixtrans-61.8-45.1175.600000111.6I87 F285 I290 P291 L292 N298 S299I87-A295 HydrophobicContact CD1-CB 4.26Å; F285-A295 HydrophobicContact CD1-CB 4.22Å; F285-A295 HydrophobicContact CE1-CB 3.56Å; F285-A295 HydrophobicContact CZ-CB 4.4Å; I290-A295 HydrophobicContact CG2-CB 4.04Å; P291-A295 PolarHBondContact O-N 2.96Å; L292-A295 PolarHBondContact O-N 2.94Å; A295-N298 PolarHBondContact O-N 2.87Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 2.85Å
296L98.7Very high97.7Very high0 Ų061.8 Ų61.80%034%0.336CS..Hα-helixtrans-63-47176.2-177.359000111.5H83 L84 I87 L292 S293 N298 S299 M300 L309 L314 L317H83-L296 HydrophobicContact CB-CD1 3.7Å; L84-L296 HydrophobicContact CB-CD1 4.01Å; L84-L296 HydrophobicContact CB-CD2 4.45Å; L84-L296 HydrophobicContact CD1-CD2 4.47Å; I87-L296 HydrophobicContact CD1-CB 3.72Å; I87-L296 HydrophobicContact CD1-CD1 4.05Å; I87-L296 HydrophobicContact CD1-CG 4.47Å; L292-L296 WeakPolarHBondContact O-CB 3.48Å; L292-L296 PolarHBondContact O-N 3Å; S293-L296 PolarHBondContact O-N 3.17Å; L296-N298 VanDerWaalsContact C-N 3.32Å; L296-N298 PolarHBondContact O-N 2.83Å; L296-S299 WeakPolarHBondContact O-CB 3.45Å; L296-S299 PolarHBondContact O-N 3.09Å; L296-S299 VanDerWaalsContact O-N 3.14Å; L296-M300 HydrophobicContact CD1-CE 4.32Å; L296-M300 HydrophobicContact CD1-CG 4.24Å; L296-M300 HydrophobicContact CD1-SD 4Å; L296-M300 HydrophobicContact CD2-CE 4.36Å; L296-M300 HydrophobicContact CG-CE 3.78Å; L296-M300 HydrophobicContact CG-SD 4.11Å; L296-M300 WeakPolarHBondContact O-CG 3.44Å; L296-M300 PolarHBondContact O-N 2.78Å; L296-L309 HydrophobicContact CD2-CD1 4.02Å; L296-L314 HydrophobicContact CD2-CD2 4.3Å; L296-L317 HydrophobicContact CB-CD2 4.27Å; L296-L317 HydrophobicContact CD2-CD2 3.51Å
297N98.5Very high97.6Very high64 Ų6461.3 Ų61.334%0.34235%0.345SS..Hα-helixtrans-60-43.2179-162.729000111.9S293 K294 S299 M300 A301 L314S293-N297 WeakPolarHBondContact O-CB 3.14Å; S293-N297 PolarHBondContact O-N 2.99Å; K294-N297 PolarHBondContact O-N 2.92Å; N297-S299 PolarHBondContact O-N 3.21Å; N297-M300 PolarHBondContact O-N 2.92Å; N297-A301 PolarHBondContact O-N 3.37Å; N297-A301 VanDerWaalsContact O-N 3.09Å; N297-L314 HydrophobicContact CB-CD1 3.83Å; N297-L314 HydrophobicContact CB-CD2 4.38Å
298N98.4Very high97.7Very high91 Ų9154 Ų5449%0.48731%0.313SS..Hα-helixtrans-63.3-40.7175.4-70.9-13.7000112.1K294 A295 L296 M300 A301K294-N298 WeakPolarHBondContact O-CB 3.44Å; K294-N298 PolarHBondContact O-N 2.79Å; K294-N298 PolarHBondContact O-ND2 3.01Å; A295-N298 PolarHBondContact O-N 2.87Å; L296-N298 VanDerWaalsContact C-N 3.32Å; L296-N298 PolarHBondContact O-N 2.83Å; N298-M300 VanDerWaalsContact C-N 3.29Å; N298-M300 PolarHBondContact O-N 2.92Å; N298-A301 WeakPolarHBondContact O-CB 3.14Å; N298-A301 PolarHBondContact O-N 3.2Å
299S97.9Very high97.7Very high36 Ų3652.3 Ų52.325%0.25230%0.296SS..Hα-helixtrans-61.9-38.5178.5-1670000111.9H83 A295 L296 N297H83-S299 PolarHBondContact CE1-O 3.22Å; H83-S299 PolarHBondContact ND1-O 3.08Å; H83-S299 PolarHBondContact ND1-OG 3.43Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 2.85Å; L296-S299 WeakPolarHBondContact O-CB 3.45Å; L296-S299 PolarHBondContact O-N 3.09Å; L296-S299 VanDerWaalsContact O-N 3.14Å; N297-S299 PolarHBondContact O-N 3.21Å
300M98.2Very high97.8Very high1 Ų144.6 Ų44.61%0.00526%0.255CS..Hα-helixtrans-85.4-8.9-179.2-63.2-178.3-51.800114A80 H83 L296 N297 N298 N302 D303 V308 L309 L314A80-M300 HydrophobicContact CB-SD 3.78Å; H83-M300 HydrophobicContact CB-CG 3.75Å; H83-M300 HydrophobicContact CB-SD 4.48Å; L296-M300 HydrophobicContact CD1-CE 4.32Å; L296-M300 HydrophobicContact CD1-CG 4.24Å; L296-M300 HydrophobicContact CD1-SD 4Å; L296-M300 HydrophobicContact CD2-CE 4.36Å; L296-M300 HydrophobicContact CG-CE 3.78Å; L296-M300 HydrophobicContact CG-SD 4.11Å; L296-M300 WeakPolarHBondContact O-CG 3.44Å; L296-M300 PolarHBondContact O-N 2.78Å; N297-M300 PolarHBondContact O-N 2.92Å; N298-M300 VanDerWaalsContact C-N 3.29Å; N298-M300 PolarHBondContact O-N 2.92Å; M300-N302 PolarHBondContact O-N 3.28Å; M300-N302 VanDerWaalsContact O-N 3.16Å; M300-D303 WeakPolarHBondContact O-CB 3.18Å; M300-D303 PolarHBondContact O-N 2.82Å; M300-V308 HydrophobicContact CB-CB 4.2Å; M300-V308 HydrophobicContact CB-CG2 3.93Å; M300-V308 HydrophobicContact CE-CB 4.24Å; M300-V308 HydrophobicContact CG-CB 4.4Å; M300-V308 HydrophobicContact CG-CG2 4.42Å; M300-V308 HydrophobicContact SD-CB 3.71Å; M300-V308 HydrophobicContact SD-CG1 3.75Å; M300-V308 HydrophobicContact SD-CG2 4.34Å; M300-L309 HydrophobicContact CE-CB 4.27Å; M300-L309 HydrophobicContact CE-CD1 4.06Å; M300-L309 HydrophobicContact CE-CG 4.05Å; M300-L309 HydrophobicContact SD-CG 4.4Å; M300-L314 HydrophobicContact CE-CD2 4.45Å
301A97.8Very high97.8Very high50 Ų5046.3 Ų46.341%0.41327%0.265SS..THydrogen-bonded Turntrans-59.7-33-170.300000113.6N297 N298 S306N297-A301 PolarHBondContact O-N 3.37Å; N297-A301 VanDerWaalsContact O-N 3.09Å; N298-A301 WeakPolarHBondContact O-CB 3.14Å; N298-A301 PolarHBondContact O-N 3.2Å; A301-S306 PolarHBondContact O-OG 3.28Å
302N93.9Very high97.8Very high136 Ų13646.7 Ų46.773%0.72726%0.262SS*.THydrogen-bonded Turntrans-93.78.8179.4-63.2-34.5000113.3R21 M300R21-N302 PolarHBondContact NH1-O 3.11Å; R21-N302 PolarHBondContact NH2-O 2.77Å; M300-N302 PolarHBondContact O-N 3.28Å; M300-N302 VanDerWaalsContact O-N 3.16Å
303D97.5Very high97.8Very high7 Ų747 Ų474%0.03726%0.263CS..SBendtrans-74.7140.5171.3-164.3-84.2000111.2R21 V97 G98 M300 A305 S306 V308R21-D303 IonicContact NH2-OD2 2.62Å; V97-D303 VanDerWaalsContact CG2-OD2 3.29Å; V97-D303 WeakPolarHBondContact CG2-OD2 3.46Å; G98-D303 WeakPolarHBondContact CA-OD1 3.13Å; G98-D303 PolarHBondContact N-OD1 2.88Å; G98-D303 PolarHBondContact N-OD2 3.01Å; M300-D303 WeakPolarHBondContact O-CB 3.18Å; M300-D303 PolarHBondContact O-N 2.82Å; D303-A305 PolarHBondContact O-N 3.5Å; D303-A305 WeakPolarHBondContact OD1-CB 3.44Å; D303-A305 PolarHBondContact OD1-N 2.97Å; D303-S306 WeakPolarHBondContact O-CB 3.47Å; D303-S306 PolarHBondContact O-N 3.11Å; D303-V308 HydrophobicContact CB-CG2 3.96Å
304H94.2Very high97.8Very high112 Ų11246.7 Ų46.752%0.51926%0.26SS..THydrogen-bonded Turntrans-67.8-15.6-179.7-69.7-178.5000113.3S306H304-S306 VanDerWaalsContact C-N 3.34Å
305A96.1Very high97.8Very high2 Ų246 Ų462%0.01727%0.265CS..THydrogen-bonded Turntrans-929.9170.700000113R58 I79 E153 D303 P307 V308R58-A305 PolarHBondContact NH2-O 2.81Å; I79-A305 HydrophobicContact CD1-CB 3.89Å; E153-A305 HydrophobicContact CG-CB 4.25Å; D303-A305 PolarHBondContact O-N 3.5Å; D303-A305 WeakPolarHBondContact OD1-CB 3.44Å; D303-A305 PolarHBondContact OD1-N 2.97Å; A305-P307 CarbonylContact O-C 3.58Å; A305-V308 PolarHBondContact O-N 2.78Å
306S97.3Very high97.8Very high57 Ų5745.2 Ų45.240%0.39926%0.258SS..  trans-63132.9175.4-173.40000111.3A301 D303 H304A301-S306 PolarHBondContact O-OG 3.28Å; D303-S306 WeakPolarHBondContact O-CB 3.47Å; D303-S306 PolarHBondContact O-N 3.11Å; H304-S306 VanDerWaalsContact C-N 3.34Å
307P97.9Very high97.8Very high91 Ų9145.2 Ų45.259%0.59126%0.259SS*.SBendcis-70.7127.2-1.529.3-34.8000112.9R58 A305R58-P307 PolarHBondContact NE-O 2.96Å; A305-P307 CarbonylContact O-C 3.58Å
308V98.6Very high97.8Very high2 Ų244.5 Ų44.51%0.01226%0.255CS..  trans-78.2-42.9-177-1800000111.4R58 N76 I79 A80 M300 D303 A305R58-V308 WeakPolarHBondContact CD-O 3.05Å; R58-V308 PolarHBondContact NE-O 2.93Å; N76-V308 HydrophobicContact CB-CG1 4.16Å; N76-V308 WeakPolarHBondContact CB-O 3.38Å; N76-V308 PolarHBondContact ND2-O 3Å; N76-V308 VanDerWaalsContact ND2-O 3.08Å; N76-V308 WeakPolarHBondContact O-CG1 3.33Å; I79-V308 HydrophobicContact CB-CG1 3.9Å; I79-V308 HydrophobicContact CG2-CG1 3.83Å; I79-V308 HydrophobicContact CG2-CG2 4.12Å; A80-V308 HydrophobicContact CB-CG1 4.15Å; M300-V308 HydrophobicContact CB-CB 4.2Å; M300-V308 HydrophobicContact CB-CG2 3.93Å; M300-V308 HydrophobicContact CE-CB 4.24Å; M300-V308 HydrophobicContact CG-CB 4.4Å; M300-V308 HydrophobicContact CG-CG2 4.42Å; M300-V308 HydrophobicContact SD-CB 3.71Å; M300-V308 HydrophobicContact SD-CG1 3.75Å; M300-V308 HydrophobicContact SD-CG2 4.34Å; D303-V308 HydrophobicContact CB-CG2 3.96Å; A305-V308 PolarHBondContact O-N 2.78Å
309L98.6Very high97.8Very high4 Ų444.1 Ų44.12%0.02125%0.246CC..SBendtrans-114.9151.8175.9-68.7-179000110.8A80 F254 L296 M300 H313 L314A80-L309 HydrophobicContact CB-CD1 3.84Å; A80-L309 HydrophobicContact CB-CD2 3.83Å; A80-L309 HydrophobicContact CB-CG 3.79Å; F254-L309 HydrophobicContact CB-CD2 4.02Å; F254-L309 HydrophobicContact CD1-CD1 3.91Å; F254-L309 HydrophobicContact CD1-CD2 3.95Å; F254-L309 HydrophobicContact CD2-CD2 4Å; F254-L309 HydrophobicContact CE1-CD1 3.62Å; F254-L309 HydrophobicContact CE1-CD2 4.39Å; F254-L309 HydrophobicContact CE2-CD1 4.46Å; F254-L309 HydrophobicContact CE2-CD2 4.44Å; F254-L309 HydrophobicContact CG-CD1 4.43Å; F254-L309 HydrophobicContact CG-CD2 3.71Å; F254-L309 HydrophobicContact CZ-CD1 3.91Å; L296-L309 HydrophobicContact CD2-CD1 4.02Å; M300-L309 HydrophobicContact CE-CB 4.27Å; M300-L309 HydrophobicContact CE-CD1 4.06Å; M300-L309 HydrophobicContact CE-CG 4.05Å; M300-L309 HydrophobicContact SD-CG 4.4Å; L309-H313 HydrophobicContact CD1-CB 4.44Å; L309-L314 HydrophobicContact CD1-CD2 4.16Å
310A98.4Very high97.9Very high4 Ų442.6 Ų42.63%0.03324%0.235CC..  trans-76.2145.7164.100000110.6R58 K312 H313R58-A310 HydrophobicContact CB-CB 4.26Å; R58-A310 WeakPolarHBondContact O-CB 3.2Å; A310-K312 HydrophobicContact CB-CG 4.06Å; A310-K312 PolarHBondContact O-N 2.73Å; A310-H313 PolarHBondContact O-N 2.79Å
311D98.3Very high97.9Very high120 Ų12042.7 Ų42.764%0.64224%0.236SC*.Hα-helixtrans-53.1-34-174.4-63.4-23.5000113.9H313 L314 V315D311-H313 PolarHBondContact O-N 2.86Å; D311-L314 WeakPolarHBondContact O-CA 3.2Å; D311-L314 WeakPolarHBondContact O-CB 3.37Å; D311-L314 PolarHBondContact O-N 2.89Å; D311-V315 PolarHBondContact O-N 2.89Å
312K98.6Very high97.9Very high55 Ų5544.2 Ų44.224%0.23923%0.234CC..Hα-helixtrans-56.5-33.917661.8-174.7-177.3166.50113.9Q59 E61 A310 A316Q59-K312 PolarHBondContact O-NZ 2.79Å; E61-K312 VanDerWaalsContact CG-NZ 3.32Å; E61-K312 WeakPolarHBondContact OE1-CD 3.33Å; E61-K312 WeakPolarHBondContact OE1-CE 3.19Å; E61-K312 IonicContact OE1-NZ 3.69Å; E61-K312 PolarHBondContact OE1-NZ 2.77Å; A310-K312 HydrophobicContact CB-CG 4.06Å; A310-K312 PolarHBondContact O-N 2.73Å; K312-A316 PolarHBondContact O-N 2.9Å; K312-A316 VanDerWaalsContact O-N 3.1Å
313H98.7Very high98.2Very high5 Ų539 Ų392%0.02321%0.206CC..Hα-helixtrans-76.1-29.8176-67.9-73.3000112.1E61 F254 L309 A310 D311 A316 L317E61-H313 IonicContact OE2-CE1 2.79Å; E61-H313 PolarHBondContact OE2-CE1 3.37Å; E61-H313 IonicContact OE2-NE2 3.44Å; F254-H313 HydrophobicContact CD1-CB 4.03Å; F254-H313 PolarHBondContact O-CE1 2.85Å; L309-H313 HydrophobicContact CD1-CB 4.44Å; A310-H313 PolarHBondContact O-N 2.79Å; D311-H313 PolarHBondContact O-N 2.86Å; H313-A316 PolarHBondContact O-N 3.03Å; H313-L317 WeakPolarHBondContact O-CB 3.41Å; H313-L317 PolarHBondContact O-N 2.8Å
314L98.7Very high98.2Very high13 Ų1338.7 Ų38.77%0.06821%0.205CC..Hα-helixtrans-66.6-41.2173.4-61.6176.8000110.5S293 L296 N297 M300 L309 D311 L317S293-L314 WeakPolarHBondContact CB-O 3.45Å; L296-L314 HydrophobicContact CD2-CD2 4.3Å; N297-L314 HydrophobicContact CB-CD1 3.83Å; N297-L314 HydrophobicContact CB-CD2 4.38Å; M300-L314 HydrophobicContact CE-CD2 4.45Å; L309-L314 HydrophobicContact CD1-CD2 4.16Å; D311-L314 WeakPolarHBondContact O-CA 3.2Å; D311-L314 WeakPolarHBondContact O-CB 3.37Å; D311-L314 PolarHBondContact O-N 2.89Å; L314-L317 WeakPolarHBondContact O-CB 3.35Å; L314-L317 PolarHBondContact O-N 2.73Å
315V98.4Very high98.5Very high99 Ų9934.2 Ų34.260%0.618%0.184SC*.Hα-helixtrans-63.3-43.9173.6177.80000111.6D311 L317 D318 R319D311-V315 PolarHBondContact O-N 2.89Å; V315-L317 PolarHBondContact O-N 2.95Å; V315-D318 PolarHBondContact O-N 3.41Å; V315-R319 PolarHBondContact O-N 3.14Å
316A98.8Very high98.6Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-61.2-33177.100000112.5S257 K312 H313 R319 R320S257-A316 WeakPolarHBondContact O-CB 3.42Å; K312-A316 PolarHBondContact O-N 2.9Å; K312-A316 VanDerWaalsContact O-N 3.1Å; H313-A316 PolarHBondContact O-N 3.03Å; A316-R319 PolarHBondContact O-N 3.49Å; A316-R320 WeakPolarHBondContact O-CB 3.03Å; A316-R320 WeakPolarHBondContact O-CD 3.06Å; A316-R320 WeakPolarHBondContact O-CG 3.3Å; A316-R320 PolarHBondContact O-N 3.11Å
317L98.7Very high98.6Very high1 Ų137.1 Ų37.11%0.00519%0.194CC..Hα-helixtrans-64.2-46.2-178.5-171.965.5000112.7L84 L223 L292 L296 H313 L314 V315 R320 L321L84-L317 HydrophobicContact CD1-CD1 4.46Å; L84-L317 HydrophobicContact CD1-CD2 4.28Å; L84-L317 HydrophobicContact CD2-CD1 4.14Å; L223-L317 HydrophobicContact CB-CD1 3.79Å; L223-L317 HydrophobicContact CD2-CD1 4.15Å; L223-L317 HydrophobicContact CG-CD1 4.45Å; L292-L317 HydrophobicContact CD2-CD1 4Å; L292-L317 HydrophobicContact CD2-CD2 3.89Å; L292-L317 HydrophobicContact CD2-CG 3.68Å; L292-L317 HydrophobicContact CG-CD2 3.72Å; L292-L317 HydrophobicContact CG-CG 4Å; L296-L317 HydrophobicContact CB-CD2 4.27Å; L296-L317 HydrophobicContact CD2-CD2 3.51Å; H313-L317 WeakPolarHBondContact O-CB 3.41Å; H313-L317 PolarHBondContact O-N 2.8Å; L314-L317 WeakPolarHBondContact O-CB 3.35Å; L314-L317 PolarHBondContact O-N 2.73Å; V315-L317 PolarHBondContact O-N 2.95Å; L317-R320 PolarHBondContact O-N 2.99Å; L317-L321 PolarHBondContact O-N 3.37Å
318D98.8Very high98.7Very high49 Ų4933 Ų3326%0.26217%0.167SC..Hα-helixtrans-66.4-40.6178.2-71.6-17.3000111.1L292 S293 V315 R320 L321 E322L292-D318 PolarHBondContact N-OD1 3.39Å; S293-D318 VanDerWaalsContact CB-CG 3.49Å; S293-D318 WeakPolarHBondContact CB-OD1 3.14Å; S293-D318 WeakPolarHBondContact CB-OD2 3.06Å; S293-D318 PolarHBondContact N-OD1 2.83Å; S293-D318 VanDerWaalsContact OG-CG 3.29Å; S293-D318 PolarHBondContact OG-OD1 3.49Å; S293-D318 PolarHBondContact OG-OD2 3.15Å; V315-D318 PolarHBondContact O-N 3.41Å; D318-R320 PolarHBondContact O-N 2.97Å; D318-L321 PolarHBondContact O-N 3.08Å; D318-E322 PolarHBondContact O-N 2.04Å
319R98.7Very high98.7Very high82 Ų8235.8 Ų35.831%0.30918%0.184SC..Hα-helixtrans-57.7-49.3173.9-176.4-178.969.3-125.9-1.4111S257 D260 V315 A316 L321 E322 L323S257-R319 PolarHBondContact O-NH2 3.07Å; D260-R319 VanDerWaalsContact CG-NH2 3.33Å; D260-R319 IonicContact OD1-CZ 3.31Å; D260-R319 IonicContact OD1-NE 2.68Å; D260-R319 IonicContact OD1-NH2 3.17Å; D260-R319 PolarHBondContact OD1-NH2 3.33Å; D260-R319 IonicContact OD2-CZ 3.75Å; D260-R319 VanDerWaalsContact OD2-CZ 3.31Å; D260-R319 IonicContact OD2-NE 3.59Å; D260-R319 PolarHBondContact OD2-NE 3.2Å; D260-R319 IonicContact OD2-NH2 3.66Å; D260-R319 PolarHBondContact OD2-NH2 2.92Å; V315-R319 PolarHBondContact O-N 3.14Å; A316-R319 PolarHBondContact O-N 3.49Å; R319-L321 VanDerWaalsContact C-N 3.32Å; R319-L321 PolarHBondContact O-N 3.14Å; R319-E322 WeakPolarHBondContact O-CB 3.11Å; R319-E322 PolarHBondContact O-N 2.82Å; R319-L323 WeakPolarHBondContact O-CG 3.48Å; R319-L323 PolarHBondContact O-N 3.33Å
320R98.9Very high98.7Very high4 Ų440 Ų402%0.01520%0.203CC..Hα-helixtrans-64-36.5179.2-71.5163.4-178.5179.4-0.9112.3F222 L223 T224 N256 L259 D260 A316 L317 D318 E322 L323 V324F222-R320 HydrophobicContact CD1-CB 4.1Å; F222-R320 HydrophobicContact CE1-CB 3.73Å; F222-R320 HydrophobicContact CE1-CG 4.01Å; F222-R320 WeakPolarHBondContact CE1-O 3.04Å; F222-R320 HydrophobicContact CZ-CG 4.36Å; F222-R320 WeakPolarHBondContact O-CD 3.48Å; L223-R320 HydrophobicContact CD2-CB 3.96Å; L223-R320 VanDerWaalsContact O-CD 3.31Å; L223-R320 WeakPolarHBondContact O-CD 3.46Å; L223-R320 PolarHBondContact O-NH1 2.9Å; T224-R320 PolarHBondContact O-NH1 3.49Å; N256-R320 PolarHBondContact O-NH2 3.27Å; L259-R320 PolarHBondContact O-NH2 2.94Å; D260-R320 HydrophobicContact CB-CG 4.44Å; D260-R320 VanDerWaalsContact OD1-CG 3.23Å; D260-R320 WeakPolarHBondContact OD1-CG 3.46Å; D260-R320 IonicContact OD1-CZ 2.72Å; D260-R320 IonicContact OD1-NE 3.34Å; D260-R320 PolarHBondContact OD1-NE 2.81Å; D260-R320 IonicContact OD1-NH2 3.58Å; A316-R320 WeakPolarHBondContact O-CB 3.03Å; A316-R320 WeakPolarHBondContact O-CD 3.06Å; A316-R320 WeakPolarHBondContact O-CG 3.3Å; A316-R320 PolarHBondContact O-N 3.11Å; L317-R320 PolarHBondContact O-N 2.99Å; D318-R320 PolarHBondContact O-N 2.97Å; R320-E322 VanDerWaalsContact C-N 3.32Å; R320-E322 PolarHBondContact O-N 2.88Å; R320-L323 PolarHBondContact O-N 2.02Å; R320-V324 WeakPolarHBondContact O-CG2 3.5Å; R320-V324 PolarHBondContact O-N 2.83Å
321L98.8Very high98.7Very high3 Ų339.8 Ų39.82%0.01620%0.202CC..Hα-helixtrans-59.3-44.3175.5-178.6150.6000111.6L223 L282 F285 Y286 L292 L317 D318 R319 L323 V324 L325L223-L321 HydrophobicContact CD2-CB 4.05Å; L282-L321 HydrophobicContact CD2-CD1 3.91Å; L282-L321 HydrophobicContact CD2-CG 4.16Å; F285-L321 HydrophobicContact CB-CD1 3.93Å; Y286-L321 HydrophobicContact CD2-CD2 3.66Å; Y286-L321 HydrophobicContact CG-CD2 4.08Å; L292-L321 HydrophobicContact CB-CD1 3.92Å; L292-L321 HydrophobicContact CD2-CB 4.48Å; L292-L321 HydrophobicContact CD2-CD1 3.62Å; L292-L321 HydrophobicContact CG-CD1 4.35Å; L317-L321 PolarHBondContact O-N 3.37Å; D318-L321 PolarHBondContact O-N 3.08Å; R319-L321 VanDerWaalsContact C-N 3.32Å; R319-L321 PolarHBondContact O-N 3.14Å; L321-L323 VanDerWaalsContact C-N 3.33Å; L321-L323 PolarHBondContact O-N 3.27Å; L321-V324 PolarHBondContact O-N 3.42Å; L321-L325 HydrophobicContact CD2-CD1 3.71Å; L321-L325 HydrophobicContact CD2-CG 4.31Å; L321-L325 PolarHBondContact O-N 3.18Å; L321-L325 VanDerWaalsContact O-N 3.11Å
322E98.7Very high98.7Very high82 Ų8234.7 Ų34.738%0.38318%0.175SC..Hα-helixtrans-58.2-46.4175.6-175.4178.4-176.200111.1Y286 D318 R319 R320 V324 L325 L326Y286-E322 HydrophobicContact CE2-CB 3.9Å; Y286-E322 HydrophobicContact CE2-CG 3.83Å; D318-E322 PolarHBondContact O-N 2.04Å; R319-E322 WeakPolarHBondContact O-CB 3.11Å; R319-E322 PolarHBondContact O-N 2.82Å; R320-E322 VanDerWaalsContact C-N 3.32Å; R320-E322 PolarHBondContact O-N 2.88Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 2.8Å; E322-L325 PolarHBondContact O-N 3.24Å; E322-L325 VanDerWaalsContact O-N 3.11Å; E322-L326 HydrophobicContact CG-CD1 4.42Å; E322-L326 WeakPolarHBondContact O-CG 3.42Å; E322-L326 PolarHBondContact O-N 3.27Å
323L98.8Very high98.7Very high27 Ų2735.7 Ų35.714%0.14118%0.183CC..Hα-helixtrans-60.4-39.8178.4-58.2-179.2000112.4F222 D260 Y262 R319 R320 L321 L325 L326 E327F222-L323 HydrophobicContact CE1-CB 4.02Å; F222-L323 HydrophobicContact CE1-CD1 4.48Å; F222-L323 HydrophobicContact CZ-CB 4.12Å; F222-L323 HydrophobicContact CZ-CD1 3.98Å; D260-L323 HydrophobicContact CB-CD1 4.08Å; Y262-L323 HydrophobicContact CE2-CD1 4.05Å; Y262-L323 WeakPolarHBondContact OH-CD2 3.44Å; R319-L323 WeakPolarHBondContact O-CG 3.48Å; R319-L323 PolarHBondContact O-N 3.33Å; R320-L323 PolarHBondContact O-N 2.02Å; L321-L323 VanDerWaalsContact C-N 3.33Å; L321-L323 PolarHBondContact O-N 3.27Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-L325 PolarHBondContact O-N 3.03Å; L323-L326 HydrophobicContact CD2-CD1 4.25Å; L323-L326 PolarHBondContact O-N 3.18Å; L323-E327 PolarHBondContact O-N 2.72Å; L323-E327 VanDerWaalsContact O-N 3.12Å
324V98.9Very high98.6Very high0 Ų041.8 Ų41.80%021%0.205CC..Hα-helixtrans-61-44.6174.5175.40000111.1I219 F222 L265 L268 L282 R320 L321 E322 L326 E327 V328I219-V324 HydrophobicContact CD1-CG1 4.13Å; I219-V324 HydrophobicContact CG1-CG1 3.98Å; I219-V324 HydrophobicContact CG2-CG1 3.97Å; I219-V324 HydrophobicContact CG2-CG2 4.38Å; F222-V324 HydrophobicContact CD1-CG2 3.52Å; F222-V324 HydrophobicContact CE1-CG2 3.93Å; L265-V324 HydrophobicContact CD1-CG2 4.01Å; L265-V324 HydrophobicContact CD2-CG2 4.3Å; L268-V324 HydrophobicContact CD2-CG1 4.18Å; L282-V324 HydrophobicContact CD1-CG1 3.66Å; R320-V324 WeakPolarHBondContact O-CG2 3.5Å; R320-V324 PolarHBondContact O-N 2.83Å; L321-V324 PolarHBondContact O-N 3.42Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 2.8Å; V324-L326 VanDerWaalsContact C-N 3.34Å; V324-L326 PolarHBondContact O-N 2.8Å; V324-E327 PolarHBondContact O-N 2.91Å; V324-V328 WeakPolarHBondContact O-CG2 3.42Å; V324-V328 PolarHBondContact O-N 3.01Å; V324-V328 VanDerWaalsContact O-N 3.08Å
325L98.8Very high98.5Very high18 Ų1842.4 Ų42.49%0.09421%0.213CC..Hα-helixtrans-65.3-37.8179.4-71.6176.9000112L282 L283 Y286 L321 E322 L323 E327 V328 V329L282-L325 HydrophobicContact CB-CD2 3.84Å; L282-L325 HydrophobicContact CB-CG 4.38Å; L282-L325 HydrophobicContact CD1-CD2 4.49Å; L283-L325 HydrophobicContact CD2-CD1 4.16Å; L283-L325 HydrophobicContact CD2-CD2 3.91Å; L283-L325 HydrophobicContact CG-CD2 4.08Å; Y286-L325 HydrophobicContact CD1-CD1 4.06Å; Y286-L325 HydrophobicContact CD2-CD1 4.01Å; Y286-L325 HydrophobicContact CG-CD1 3.6Å; L321-L325 HydrophobicContact CD2-CD1 3.71Å; L321-L325 HydrophobicContact CD2-CG 4.31Å; L321-L325 PolarHBondContact O-N 3.18Å; L321-L325 VanDerWaalsContact O-N 3.11Å; E322-L325 PolarHBondContact O-N 3.24Å; E322-L325 VanDerWaalsContact O-N 3.11Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-L325 PolarHBondContact O-N 3.03Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-E327 PolarHBondContact O-N 3.23Å; L325-V328 PolarHBondContact O-N 2.75Å; L325-V329 WeakPolarHBondContact O-CG2 3.4Å; L325-V329 PolarHBondContact O-N 2.77Å
326L98.7Very high98.5Very high93 Ų9340.5 Ų40.549%0.48721%0.213SC..Hα-helixtrans-60.1-43.3174-69.2174.2000111.6E322 L323 V324 V328 V329 E330E322-L326 HydrophobicContact CG-CD1 4.42Å; E322-L326 WeakPolarHBondContact O-CG 3.42Å; E322-L326 PolarHBondContact O-N 3.27Å; L323-L326 HydrophobicContact CD2-CD1 4.25Å; L323-L326 PolarHBondContact O-N 3.18Å; V324-L326 VanDerWaalsContact C-N 3.34Å; V324-L326 PolarHBondContact O-N 2.8Å; L326-V328 VanDerWaalsContact C-N 3.32Å; L326-V328 PolarHBondContact O-N 3.03Å; L326-V329 WeakPolarHBondContact O-CB 3.28Å; L326-V329 PolarHBondContact O-N 3.3Å; L326-E330 PolarHBondContact O-N 3.29Å
327E98.7Very high98.4Very high27 Ų2746.1 Ų46.113%0.12623%0.234CC..Hα-helixtrans-66.4-33.1176.2-65.6-52.2148.900113L265 L268 M269 L323 V324 L325 V329 E330 C331L265-E327 HydrophobicContact CD2-CB 4.24Å; L265-E327 HydrophobicContact CD2-CG 3.57Å; L265-E327 HydrophobicContact CG-CG 4.4Å; L268-E327 HydrophobicContact CD2-CB 3.96Å; M269-E327 HydrophobicContact CG-CB 4.38Å; M269-E327 HydrophobicContact CG-CG 3.97Å; M269-E327 WeakPolarHBondContact CG-OE2 2.73Å; M269-E327 HydrophobicContact SD-CG 4.42Å; L323-E327 PolarHBondContact O-N 2.72Å; L323-E327 VanDerWaalsContact O-N 3.12Å; V324-E327 PolarHBondContact O-N 2.91Å; L325-E327 VanDerWaalsContact C-N 3.34Å; L325-E327 PolarHBondContact O-N 3.23Å; E327-V329 VanDerWaalsContact C-N 3.35Å; E327-E330 PolarHBondContact O-N 2.83Å; E327-C331 PolarHBondContact O-N 2.89Å
328V98.7Very high98.3Very high5 Ų549.4 Ų49.43%0.0325%0.252CS..Hα-helixtrans-64.4-41.8172.3174.20000110.8L268 V274 V279 V324 L325 L326 C331 L332L268-V328 HydrophobicContact CD1-CG2 4.42Å; L268-V328 HydrophobicContact CD2-CG2 4.16Å; V274-V328 HydrophobicContact CG1-CG1 4.38Å; V274-V328 HydrophobicContact CG1-CG2 4.36Å; V279-V328 HydrophobicContact CG1-CG1 4.29Å; V279-V328 HydrophobicContact CG2-CG1 4.12Å; V279-V328 HydrophobicContact CG2-CG2 4.37Å; V324-V328 WeakPolarHBondContact O-CG2 3.42Å; V324-V328 PolarHBondContact O-N 3.01Å; V324-V328 VanDerWaalsContact O-N 3.08Å; L325-V328 PolarHBondContact O-N 2.75Å; L326-V328 VanDerWaalsContact C-N 3.32Å; L326-V328 PolarHBondContact O-N 3.03Å; V328-C331 PolarHBondContact O-N 2.93Å; V328-L332 HydrophobicContact CG1-CD1 4.35Å; V328-L332 WeakPolarHBondContact O-CG 3.21Å; V328-L332 PolarHBondContact O-N 3.38Å
329V98.6Very high98.1Very high61 Ų6153 Ų5337%0.3726%0.263SS..Hα-helixtrans-62.8-46.3175.5172.40000110.6L325 L326 E327 C331 L332 D333 W337L325-V329 WeakPolarHBondContact O-CG2 3.4Å; L325-V329 PolarHBondContact O-N 2.77Å; L326-V329 WeakPolarHBondContact O-CB 3.28Å; L326-V329 PolarHBondContact O-N 3.3Å; E327-V329 VanDerWaalsContact C-N 3.35Å; V329-C331 VanDerWaalsContact C-N 3.27Å; V329-C331 PolarHBondContact O-N 3.46Å; V329-L332 CarbonylContact O-C 3.59Å; V329-L332 WeakPolarHBondContact O-CA 3.4Å; V329-L332 WeakPolarHBondContact O-CB 3.36Å; V329-L332 PolarHBondContact O-N 2.84Å; V329-D333 PolarHBondContact O-N 3.4Å; V329-W337 HydrophobicContact CG1-CH2 4.38Å; V329-W337 HydrophobicContact CG1-CZ2 4.43Å
330E98.5Very high97.9Very high91 Ų9155 Ų5543%0.42528%0.279SS..Hα-helixtrans-59.2-38.3177.3-178.258.5-146.100111.9L326 E327 R334L326-E330 PolarHBondContact O-N 3.29Å; E327-E330 PolarHBondContact O-N 2.83Å; E330-R334 WeakPolarHBondContact O-CB 3.27Å; E330-R334 WeakPolarHBondContact O-CG 3.48Å; E330-R334 PolarHBondContact O-N 3.2Å; E330-R334 PolarHBondContact O-NE 3.06Å; E330-R334 IonicContact OE1-NE 2.79Å
331C98.6Very high97.8Very high1 Ų159.1 Ų59.11%0.00730%0.302CS..Hα-helixtrans-65.9-38.4172.7-78.10000113.1C272 E327 V328 V329 A335 V342C272-C331 WeakPolarHBondContact CA-SG 3.45Å; C272-C331 HydrophobicContact CB-CB 3.62Å; C272-C331 WeakPolarHBondContact CB-SG 3.4Å; C272-C331 WeakPolarHBondContact SG-CA 3.24Å; C272-C331 WeakPolarHBondContact SG-CB 3.49Å; C272-C331 CovalentContact SG-SG 2.06Å; C272-C331 PolarHBondContact SG-SG 2.82Å; E327-C331 PolarHBondContact O-N 2.89Å; V328-C331 PolarHBondContact O-N 2.93Å; V329-C331 VanDerWaalsContact C-N 3.27Å; V329-C331 PolarHBondContact O-N 3.46Å; C331-A335 WeakPolarHBondContact O-CB 3.3Å; C331-A335 PolarHBondContact O-N 2.85Å; C331-V342 HydrophobicContact CB-CG1 3.97Å; C331-V342 HydrophobicContact CB-CG2 4.34Å; C331-V342 WeakPolarHBondContact O-CG2 3.46Å
332L98.5Very high97.7Very high13 Ų1359 Ų597%0.06830%0.301CS..Hα-helixtrans-66.9-43.4175.3-71.4168.7000111.5V328 V329 A335 G336 W337 Y339 V342V328-L332 HydrophobicContact CG1-CD1 4.35Å; V328-L332 WeakPolarHBondContact O-CG 3.21Å; V328-L332 PolarHBondContact O-N 3.38Å; V329-L332 CarbonylContact O-C 3.59Å; V329-L332 WeakPolarHBondContact O-CA 3.4Å; V329-L332 WeakPolarHBondContact O-CB 3.36Å; V329-L332 PolarHBondContact O-N 2.84Å; L332-A335 CarbonylContact O-C 3.43Å; L332-A335 WeakPolarHBondContact O-CA 3.42Å; L332-A335 PolarHBondContact O-N 3.32Å; L332-A335 VanDerWaalsContact O-N 3.12Å; L332-G336 PolarHBondContact O-N 3Å; L332-G336 VanDerWaalsContact O-N 3.15Å; L332-W337 HydrophobicContact CB-CD2 4.42Å; L332-W337 HydrophobicContact CB-CE3 4.18Å; L332-W337 HydrophobicContact CB-CZ3 4.33Å; L332-W337 HydrophobicContact CD1-CE3 4.38Å; L332-W337 HydrophobicContact CD1-CZ3 4.02Å; L332-W337 WeakPolarHBondContact O-CA 3.38Å; L332-W337 PolarHBondContact O-N 2.92Å; L332-Y339 HydrophobicContact CD1-CD1 4.39Å; L332-Y339 HydrophobicContact CD1-CE1 4.3Å; L332-Y339 HydrophobicContact CD2-CD1 3.68Å; L332-Y339 HydrophobicContact CD2-CE1 4.24Å; L332-Y339 HydrophobicContact CD2-CG 4.42Å; L332-V342 HydrophobicContact CD2-CB 3.93Å; L332-V342 HydrophobicContact CD2-CG1 4.29Å; L332-V342 HydrophobicContact CD2-CG2 4.07Å; L332-V342 HydrophobicContact CG-CG1 4.49Å
333D98.3Very high97.7Very high76 Ų7657.1 Ų57.141%0.40629%0.294SS..Hα-helixtrans-58.8-48.2175.4-84.2-39.3000111.1V329 A335 G336 W337V329-D333 PolarHBondContact O-N 3.4Å; D333-A335 PolarHBondContact O-N 3.22Å; D333-G336 PolarHBondContact O-N 3.14Å; D333-W337 VanDerWaalsContact OD1-CE2 3.31Å; D333-W337 PolarHBondContact OD1-NE1 3.38Å
334R97.4Very high97.6Very high132 Ų13257.6 Ų57.650%0.49830%0.296SS..Hα-helixtrans-59.5-33174.5-77.1-174.3-82.9161.8-8.1113.1M269 C272 E330 G336M269-R334 PolarHBondContact O-NH1 2.87Å; M269-R334 PolarHBondContact O-NH2 3.19Å; C272-R334 PolarHBondContact SG-NH1 2.91Å; C272-R334 PolarHBondContact SG-NH2 2.77Å; E330-R334 WeakPolarHBondContact O-CB 3.27Å; E330-R334 WeakPolarHBondContact O-CG 3.48Å; E330-R334 PolarHBondContact O-N 3.2Å; E330-R334 PolarHBondContact O-NE 3.06Å; E330-R334 IonicContact OE1-NE 2.79Å; R334-G336 VanDerWaalsContact C-N 3.26Å; R334-G336 PolarHBondContact O-N 3.35Å
335A97Very high97.5Very high27 Ų2767.8 Ų67.822%0.22333%0.334CS..THydrogen-bonded Turntrans-82.84.817500000113.9C331 L332 D333 W337 N338 N341 V342C331-A335 WeakPolarHBondContact O-CB 3.3Å; C331-A335 PolarHBondContact O-N 2.85Å; L332-A335 CarbonylContact O-C 3.43Å; L332-A335 WeakPolarHBondContact O-CA 3.42Å; L332-A335 PolarHBondContact O-N 3.32Å; L332-A335 VanDerWaalsContact O-N 3.12Å; D333-A335 PolarHBondContact O-N 3.22Å; A335-W337 VanDerWaalsContact C-N 3.3Å; A335-W337 PolarHBondContact O-N 3.06Å; A335-N338 WeakPolarHBondContact O-CB 3.42Å; A335-N338 PolarHBondContact O-N 2.88Å; A335-N341 HydrophobicContact CB-CB 4.12Å; A335-V342 HydrophobicContact CB-CG2 3.71Å
336G97.6Very high97.3Very high59 Ų5973.9 Ų73.961%0.60836%0.356SS*.THydrogen-bonded Turntrans63.235.2-176.500000112.9L332 D333 R334 N338L332-G336 PolarHBondContact O-N 3Å; L332-G336 VanDerWaalsContact O-N 3.15Å; D333-G336 PolarHBondContact O-N 3.14Å; R334-G336 VanDerWaalsContact C-N 3.26Å; R334-G336 PolarHBondContact O-N 3.35Å; G336-N338 PolarHBondContact O-N 2.72Å; G336-N338 VanDerWaalsContact O-N 3.13Å
337W97.1Very high97.1Very high117 Ų11770.3 Ų70.344%0.44334%0.337SS..THydrogen-bonded Turntrans57.620.1-173.9-67.783.7000114.6V329 L332 D333 A335 Y339V329-W337 HydrophobicContact CG1-CH2 4.38Å; V329-W337 HydrophobicContact CG1-CZ2 4.43Å; L332-W337 HydrophobicContact CB-CD2 4.42Å; L332-W337 HydrophobicContact CB-CE3 4.18Å; L332-W337 HydrophobicContact CB-CZ3 4.33Å; L332-W337 HydrophobicContact CD1-CE3 4.38Å; L332-W337 HydrophobicContact CD1-CZ3 4.02Å; L332-W337 WeakPolarHBondContact O-CA 3.38Å; L332-W337 PolarHBondContact O-N 2.92Å; D333-W337 VanDerWaalsContact OD1-CE2 3.31Å; D333-W337 PolarHBondContact OD1-NE1 3.38Å; A335-W337 VanDerWaalsContact C-N 3.3Å; A335-W337 PolarHBondContact O-N 3.06Å; W337-Y339 VanDerWaalsContact C-N 3.34Å; W337-Y339 AromaticContact CE3-CE1 3.97Å; W337-Y339 HydrophobicContact CE3-CE1 3.97Å; W337-Y339 AromaticContact CE3-CZ 3.91Å; W337-Y339 HydrophobicContact CZ3-CE1 4.34Å; W337-Y339 VanDerWaalsContact O-CD2 3.29Å; W337-Y339 WeakPolarHBondContact O-CD2 3.25Å; W337-Y339 WeakPolarHBondContact O-CE2 3.32Å; W337-Y339 PolarHBondContact O-N 2.94Å
338N96Very high96.9Very high70 Ų7075.5 Ų75.537%0.37436%0.358SS..  trans-76.989.8168.1-172.5-8.4000109.7A335 G336 N340 N341A335-N338 WeakPolarHBondContact O-CB 3.42Å; A335-N338 PolarHBondContact O-N 2.88Å; G336-N338 PolarHBondContact O-N 2.72Å; G336-N338 VanDerWaalsContact O-N 3.13Å; N338-N340 PolarHBondContact O-N 2.97Å; N338-N340 PolarHBondContact OD1-N 2.72Å; N338-N341 PolarHBondContact ND2-ND2 3.04Å; N338-N341 WeakPolarHBondContact O-CB 3.47Å; N338-N341 PolarHBondContact O-N 2.69Å
339Y95.7Very high96.6Very high125 Ų12575.9 Ų75.949%0.4936%0.361SS..G310 helixtrans-51.7-30.9-179.5-56.3-82.3000113.5L332 W337 N341 V342 L343L332-Y339 HydrophobicContact CD1-CD1 4.39Å; L332-Y339 HydrophobicContact CD1-CE1 4.3Å; L332-Y339 HydrophobicContact CD2-CD1 3.68Å; L332-Y339 HydrophobicContact CD2-CE1 4.24Å; L332-Y339 HydrophobicContact CD2-CG 4.42Å; W337-Y339 VanDerWaalsContact C-N 3.34Å; W337-Y339 AromaticContact CE3-CE1 3.97Å; W337-Y339 HydrophobicContact CE3-CE1 3.97Å; W337-Y339 AromaticContact CE3-CZ 3.91Å; W337-Y339 HydrophobicContact CZ3-CE1 4.34Å; W337-Y339 VanDerWaalsContact O-CD2 3.29Å; W337-Y339 WeakPolarHBondContact O-CD2 3.25Å; W337-Y339 WeakPolarHBondContact O-CE2 3.32Å; W337-Y339 PolarHBondContact O-N 2.94Å; Y339-N341 PolarHBondContact O-N 2.97Å; Y339-V342 PolarHBondContact O-N 3.31Å; Y339-L343 HydrophobicContact CD1-CD1 4Å; Y339-L343 WeakPolarHBondContact O-CA 3.42Å; Y339-L343 WeakPolarHBondContact O-CB 3.49Å; Y339-L343 PolarHBondContact O-N 3Å
340N94.6Very high96Very high124 Ų12480.8 Ų80.866%0.66338%0.379SS*.G310 helixtrans-69.2-16-178.8-64-43.6000113.4N338 L344N338-N340 PolarHBondContact O-N 2.97Å; N338-N340 PolarHBondContact OD1-N 2.72Å; N340-L344 WeakPolarHBondContact O-CD2 3.42Å
341N95.1Very high95.4Very high90 Ų9082 Ų8248%0.48139%0.388SS..G310 helixtrans-86.7-16.2176.8-68.9-9.3000112.7A335 N338 Y339A335-N341 HydrophobicContact CB-CB 4.12Å; N338-N341 PolarHBondContact ND2-ND2 3.04Å; N338-N341 WeakPolarHBondContact O-CB 3.47Å; N338-N341 PolarHBondContact O-N 2.69Å; Y339-N341 PolarHBondContact O-N 2.97Å
342V98Very high94.6Very high1 Ų184.5 Ų84.51%0.00640%0.4CS..THydrogen-bonded Turntrans-117.3-48.9-174.9-177.10000111.1C272 L273 V274 C331 L332 A335 Y339 L344C272-V342 WeakPolarHBondContact O-CA 3.35Å; L273-V342 CarbonylContact C-O 3.57Å; L273-V342 WeakPolarHBondContact CA-O 3.28Å; V274-V342 HydrophobicContact CG1-CG1 4.16Å; V274-V342 PolarHBondContact N-O 3.49Å; V274-V342 VanDerWaalsContact O-O 3.14Å; C331-V342 HydrophobicContact CB-CG1 3.97Å; C331-V342 HydrophobicContact CB-CG2 4.34Å; C331-V342 WeakPolarHBondContact O-CG2 3.46Å; L332-V342 HydrophobicContact CD2-CB 3.93Å; L332-V342 HydrophobicContact CD2-CG1 4.29Å; L332-V342 HydrophobicContact CD2-CG2 4.07Å; L332-V342 HydrophobicContact CG-CG1 4.49Å; A335-V342 HydrophobicContact CB-CG2 3.71Å; Y339-V342 PolarHBondContact O-N 3.31Å; V342-L344 PolarHBondContact O-N 2.91Å
343L98.1Very high93.5Very high43 Ų4384.7 Ų84.723%0.22540%0.404CS..BIsolated β-bridgetrans-89.586.3-175.4-54.2-173.6000110.9V274 P276 V279 Y339V274-L343 HydrophobicContact CG1-CD2 3.57Å; V274-L343 WeakPolarHBondContact O-CA 3.4Å; P276-L343 HydrophobicContact CG-CB 4.1Å; V279-L343 HydrophobicContact CG2-CD2 3.87Å; Y339-L343 HydrophobicContact CD1-CD1 4Å; Y339-L343 WeakPolarHBondContact O-CA 3.42Å; Y339-L343 WeakPolarHBondContact O-CB 3.49Å; Y339-L343 PolarHBondContact O-N 3Å
344L97.1Very high92.4Very high36 Ų3684 Ų8419%0.18841%0.405CS..  trans-108135.2-174.2-67.4179.5000112.8L212 L273 V274 P276 N340 V342 Y347L212-L344 HydrophobicContact CD1-CB 4.32Å; L212-L344 WeakPolarHBondContact CD1-O 3.33Å; L212-L344 HydrophobicContact CD2-CB 4.21Å; L273-L344 HydrophobicContact CD1-CD1 4.46Å; L273-L344 HydrophobicContact CD2-CD1 3.74Å; L273-L344 HydrophobicContact CG-CD1 4.49Å; V274-L344 PolarHBondContact O-N 3.11Å; P276-L344 VanDerWaalsContact CD-O 3.24Å; P276-L344 WeakPolarHBondContact CD-O 3.39Å; N340-L344 WeakPolarHBondContact O-CD2 3.42Å; V342-L344 PolarHBondContact O-N 2.91Å; L344-Y347 HydrophobicContact CD1-CD2 3.81Å
345R95.6Very high91.3Very high214 Ų21482.8 Ų82.881%0.80841%0.407SS*.SBendtrans-82.1-27.1168.2-66.6-175.1-179.4-174.5-0.2112.6P276P276-R345 HydrophobicContact CG-CG 4.18Å
346R94.7Very high89.9Confident146 Ų14684.9 Ų84.955%0.55142%0.42SS*.SBendtrans-151.7139.1177.9-173.8-179.7179.4102.93.7108
347Y95.3Very high88.3Confident19 Ų1987.8 Ų87.88%0.07543%0.426CS..EExtended strand (participates in β ladder)trans-95.4146.9176.5179-108.3000111.4K200 F205 G208 I211 L273 L344 N349K200-Y347 HydrophobicContact CB-CE1 4.48Å; K200-Y347 WeakPolarHBondContact CB-OH 3.47Å; K200-Y347 WeakPolarHBondContact CD-OH 3.37Å; K200-Y347 HydrophobicContact CG-CE1 4.24Å; K200-Y347 WeakPolarHBondContact CG-OH 3.48Å; F205-Y347 VanDerWaalsContact O-CD1 3.32Å; F205-Y347 WeakPolarHBondContact O-CD1 3.43Å; G208-Y347 PolarHBondContact N-O 3.45Å; G208-Y347 PolarHBondContact O-N 3.27Å; I211-Y347 VanDerWaalsContact CG2-CB 3.49Å; I211-Y347 HydrophobicContact CG2-CD1 3.64Å; I211-Y347 HydrophobicContact CG2-CG 3.63Å; L273-Y347 HydrophobicContact CD1-CD2 3.41Å; L273-Y347 VanDerWaalsContact CD1-CD2 3.41Å; L273-Y347 HydrophobicContact CD1-CE2 3.68Å; L273-Y347 HydrophobicContact CD1-CG 3.98Å; L273-Y347 HydrophobicContact CD2-CD2 4.39Å; L273-Y347 HydrophobicContact CD2-CE2 4.45Å; L344-Y347 HydrophobicContact CD1-CD2 3.81Å; Y347-N349 HydrophobicContact CE1-CB 4.03Å
348K94.2Very high86.5Confident135 Ų13589.6 Ų89.659%0.58744%0.443SS*.EExtended strand (participates in β ladder)trans-146.6122.3170.3-175.6178.1178.8-176.50108.5E350 A353K348-E350 PolarHBondContact O-N 2.94Å; K348-A353 HydrophobicContact CD-CB 4.41Å; K348-A353 HydrophobicContact CG-CB 4.35Å
349N91.8Very high84.3Confident14 Ų1493.2 Ų93.28%0.07548%0.475CS..  trans-75.6111.2172.6-172.3-48.1000109.6K200 N206 Y347 I351 I352 A353K200-N349 PolarHBondContact O-ND2 3.49Å; N206-N349 HydrophobicContact CB-CB 4.2Å; N206-N349 VanDerWaalsContact O-CB 3.31Å; N206-N349 WeakPolarHBondContact O-CB 3.4Å; N206-N349 PolarHBondContact O-N 3.01Å; Y347-N349 HydrophobicContact CE1-CB 4.03Å; N349-I351 VanDerWaalsContact C-N 3.34Å; N349-I351 PolarHBondContact O-N 2.85Å; N349-I351 WeakPolarHBondContact OD1-CB 3.44Å; N349-I351 PolarHBondContact OD1-N 3.39Å; N349-I351 VanDerWaalsContact OD1-N 3.08Å; N349-I352 HydrophobicContact CB-CB 4.34Å; N349-I352 HydrophobicContact CB-CD1 4.48Å; N349-I352 PolarHBondContact O-N 2.92Å; N349-I352 PolarHBondContact OD1-N 3.31Å; N349-A353 VanDerWaalsContact O-CB 3.3Å; N349-A353 WeakPolarHBondContact O-CB 3.27Å; N349-A353 PolarHBondContact O-N 3.05Å
350E87.7Confident83.8Confident164 Ų16491.7 Ų91.777%0.76647%0.474SS*.Hα-helixtrans-65.6-34.9-175.7-62.1-169.216000113.1K348 A353 S354K348-E350 PolarHBondContact O-N 2.94Å; E350-A353 PolarHBondContact O-N 3.49Å; E350-S354 WeakPolarHBondContact O-CB 3.2Å; E350-S354 PolarHBondContact O-N 3.45Å; E350-S354 PolarHBondContact O-OG 2.88Å
351I85Confident83.2Confident116 Ų11689.9 Ų89.960%0.59546%0.464SS*.Hα-helixtrans-64.4-50.8179.5-59.3173.5000109.4N349 A353 S354 I355N349-I351 VanDerWaalsContact C-N 3.34Å; N349-I351 PolarHBondContact O-N 2.85Å; N349-I351 WeakPolarHBondContact OD1-CB 3.44Å; N349-I351 PolarHBondContact OD1-N 3.39Å; N349-I351 VanDerWaalsContact OD1-N 3.08Å; I351-A353 PolarHBondContact O-N 2.56Å; I351-S354 PolarHBondContact O-N 2.63Å; I351-S354 PolarHBondContact O-OG 2.76Å; I351-I355 HydrophobicContact CG2-CD1 4.32Å; I351-I355 WeakPolarHBondContact O-CG1 3.22Å; I351-I355 PolarHBondContact O-N 3.17Å
352I81.2Confident82.5Confident53 Ų5389.9 Ų89.927%0.27246%0.463SS..Hα-helixtrans-67.4-39.2-179.8-65.2177000111.1R201 N206 N349 S354 I355 S356R201-I352 HydrophobicContact CB-CD1 4.19Å; R201-I352 WeakPolarHBondContact O-CD1 3.36Å; N206-I352 HydrophobicContact CB-CD1 3.84Å; N349-I352 HydrophobicContact CB-CB 4.34Å; N349-I352 HydrophobicContact CB-CD1 4.48Å; N349-I352 PolarHBondContact O-N 2.92Å; N349-I352 PolarHBondContact OD1-N 3.31Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 2.96Å; I352-I355 PolarHBondContact O-N 2.74Å; I352-S356 PolarHBondContact O-N 3.13Å; I352-S356 VanDerWaalsContact O-N 3.1Å; I352-S356 PolarHBondContact O-OG 2.91Å
353A76.8Confident81.6Confident18 Ų1895.2 Ų95.215%0.14949%0.49CS..Hα-helixtrans-60.2-40.2176.100000112.1K348 N349 E350 I351 S356 V357K348-A353 HydrophobicContact CD-CB 4.41Å; K348-A353 HydrophobicContact CG-CB 4.35Å; N349-A353 VanDerWaalsContact O-CB 3.3Å; N349-A353 WeakPolarHBondContact O-CB 3.27Å; N349-A353 PolarHBondContact O-N 3.05Å; E350-A353 PolarHBondContact O-N 3.49Å; I351-A353 PolarHBondContact O-N 2.56Å; A353-S356 PolarHBondContact O-N 3.17Å; A353-S356 PolarHBondContact O-OG 3.1Å; A353-V357 WeakPolarHBondContact O-CG2 3.11Å; A353-V357 PolarHBondContact O-N 3.19Å
354S73.5Confident80.6Confident62 Ų6298.4 Ų98.443%0.43451%0.506SS..Hα-helixtrans-65.6-3817871.20000112.7E350 I351 I352 V357E350-S354 WeakPolarHBondContact O-CB 3.2Å; E350-S354 PolarHBondContact O-N 3.45Å; E350-S354 PolarHBondContact O-OG 2.88Å; I351-S354 PolarHBondContact O-N 2.63Å; I351-S354 PolarHBondContact O-OG 2.76Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 2.96Å; S354-V357 PolarHBondContact O-N 2.9Å
355I75.1Confident79.5Confident105 Ų105102.6 Ų102.654%0.53853%0.527SS..Hα-helixtrans-64.9-41.7176.7-64.1166.3000110.6I351 I352 V357 L358 S359I351-I355 HydrophobicContact CG2-CD1 4.32Å; I351-I355 WeakPolarHBondContact O-CG1 3.22Å; I351-I355 PolarHBondContact O-N 3.17Å; I352-I355 PolarHBondContact O-N 2.74Å; I355-V357 PolarHBondContact O-N 3.05Å; I355-L358 PolarHBondContact O-N 3.05Å; I355-L358 VanDerWaalsContact O-N 3.14Å; I355-S359 PolarHBondContact O-N 2.93Å
356S68.2Low78.3Confident71 Ų7194.6 Ų94.650%0.49751%0.507SS..Hα-helixtrans-67.9-18179.963.80000115.1I352 A353 S359I352-S356 PolarHBondContact O-N 3.13Å; I352-S356 VanDerWaalsContact O-N 3.1Å; I352-S356 PolarHBondContact O-OG 2.91Å; A353-S356 PolarHBondContact O-N 3.17Å; A353-S356 PolarHBondContact O-OG 3.1Å; S356-S359 PolarHBondContact O-OG 3.16Å
357V64.5Low77.1Confident120 Ų12090.7 Ų90.773%0.72750%0.504SS*.Hα-helixtrans-86.7-17.7176.1176.50000111.4A353 S354 I355A353-V357 WeakPolarHBondContact O-CG2 3.11Å; A353-V357 PolarHBondContact O-N 3.19Å; S354-V357 PolarHBondContact O-N 2.9Å; I355-V357 PolarHBondContact O-N 3.05Å
358L58.8Low75.6Confident155 Ų15596.7 Ų96.781%0.81254%0.54SS*.Hα-helixtrans-95.9-10.3-178.9-68.7167.8000113.5I355I355-L358 PolarHBondContact O-N 3.05Å; I355-L358 VanDerWaalsContact O-N 3.14Å
359S50Low73.9Confident147 Ų14793.2 Ų93.2100%1.02854%0.536SS*.  trans-97.30171.361.60000111I355 S356I355-S359 PolarHBondContact O-N 2.93Å; S356-S359 PolarHBondContact O-OG 3.16Å

Retrieved 359 of 359 residues in 887.7 ms (Link to these results)

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