A0A077ZKL6_TRITR Loading...

RNase T domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M69.2Low71.3Confident185 Ų18572.5 Ų72.591%0.91140%0.397SS*.  01370178.9175.6174.500108.5I3 P24M1-I3 HydrophobicContact CE-CG1 4.3Å; M1-I3 HydrophobicContact CG-CG1 4.29Å; M1-I3 HydrophobicContact SD-CG1 4.48Å; M1-P24 WeakPolarHBondContact O-CD 3.16Å
2T69.4Low72.3Confident44 Ų4476.6 Ų76.627%0.2742%0.418SS..  trans-87.5131.9168.1-66.90000108.2I4 F22 T23 I47T2-I4 HydrophobicContact CG2-CG1 4.28Å; T2-F22 CarbonylContact C-O 3.56Å; T2-F22 VanDerWaalsContact CA-O 3.3Å; T2-F22 WeakPolarHBondContact CA-O 3.3Å; T2-T23 HydrophobicContact CG2-CG2 4Å; T2-I47 HydrophobicContact CG2-CD1 3.22Å; T2-I47 HydrophobicContact CG2-CG1 4.14Å
3I69.4Low72.9Confident85 Ų8582.3 Ų82.344%0.43645%0.448SS..EExtended strand (participates in β ladder)trans-117.3124.3174.8-55.8171.7000107.7M1 F22M1-I3 HydrophobicContact CE-CG1 4.3Å; M1-I3 HydrophobicContact CG-CG1 4.29Å; M1-I3 HydrophobicContact SD-CG1 4.48Å; I3-F22 HydrophobicContact CB-CB 4.14Å; I3-F22 HydrophobicContact CB-CD2 4.32Å; I3-F22 HydrophobicContact CG2-CD2 4.44Å; I3-F22 PolarHBondContact N-O 3.13Å; I3-F22 PolarHBondContact O-N 3.36Å
4I72.4Confident73.3Confident37 Ų3789.9 Ų89.919%0.1947%0.467CS..EExtended strand (participates in β ladder)trans-107.3121.1172.4-56.1178.5000106.4T2 I19 A38 L40 I47 T67T2-I4 HydrophobicContact CG2-CG1 4.28Å; I4-I19 HydrophobicContact CG2-CG2 3.52Å; I4-A38 HydrophobicContact CD1-CB 4.02Å; I4-A38 HydrophobicContact CG2-CB 4.03Å; I4-L40 HydrophobicContact CD1-CD1 3.74Å; I4-L40 HydrophobicContact CD1-CD2 4.18Å; I4-L40 HydrophobicContact CD1-CG 3.83Å; I4-I47 HydrophobicContact CD1-CG2 3.94Å; I4-T67 HydrophobicContact CB-CG2 4.24Å; I4-T67 HydrophobicContact CD1-CG2 4.16Å; I4-T67 HydrophobicContact CG2-CG2 3.82Å
5A69.6Low73.4Confident26 Ų2693.5 Ų93.522%0.21548%0.478CS..EExtended strand (participates in β ladder)trans-128.3120.5-176.500000109.8L7 A20 F22A5-L7 HydrophobicContact CB-CD2 3.29Å; A5-L7 WeakPolarHBondContact O-CD2 3.43Å; A5-L7 PolarHBondContact O-N 2.93Å; A5-A20 PolarHBondContact N-O 3.34Å; A5-A20 PolarHBondContact O-N 3.36Å; A5-F22 HydrophobicContact CB-CE2 4.3Å
6G69.8Low73.3Confident50 Ų5090.4 Ų90.452%0.51546%0.462SS..EExtended strand (participates in β ladder)trans-77.4115.3169.400000109.3
7L67.5Low73Confident68 Ų6891.5 Ų91.536%0.35646%0.459SS..EExtended strand (participates in β ladder)trans-149.4156.5-179.337.6126.8000110.8A5 V9 G18 A20A5-L7 HydrophobicContact CB-CD2 3.29Å; A5-L7 WeakPolarHBondContact O-CD2 3.43Å; A5-L7 PolarHBondContact O-N 2.93Å; L7-V9 HydrophobicContact CD1-CG1 4.41Å; L7-V9 PolarHBondContact O-N 3.04Å; L7-G18 PolarHBondContact N-O 3.3Å; L7-G18 VanDerWaalsContact N-O 3.16Å; L7-G18 CarbonylContact O-C 3.48Å; L7-G18 PolarHBondContact O-N 3.46Å; L7-A20 HydrophobicContact CD1-CB 3.92Å; L7-A20 HydrophobicContact CD2-CB 4.1Å; L7-A20 HydrophobicContact CG-CB 4.15Å
8P69.7Low72.9Confident73 Ų7386.8 Ų86.847%0.47444%0.438SS..EExtended strand (participates in β ladder)trans-58.9124.7167.8-18.431.1000109.8F15 I16P8-F15 HydrophobicContact CB-CB 3.96Å; P8-F15 HydrophobicContact CB-CD1 4.15Å; P8-F15 HydrophobicContact CB-CG 4.45Å; P8-I16 CarbonylContact C-O 3.51Å; P8-I16 VanDerWaalsContact CA-O 3.29Å; P8-I16 WeakPolarHBondContact CA-O 3.34Å
9V73.8Confident72.9Confident5 Ų582.6 Ų82.63%0.0342%0.416CS..EExtended strand (participates in β ladder)trans-110.2140.3177.4-59.70000109.1L7 F15 I16 I31 H33L7-V9 HydrophobicContact CD1-CG1 4.41Å; L7-V9 PolarHBondContact O-N 3.04Å; V9-F15 WeakPolarHBondContact O-CA 3.4Å; V9-I16 HydrophobicContact CG2-CG1 4.23Å; V9-I16 PolarHBondContact N-O 2.9Å; V9-I16 PolarHBondContact O-N 3.47Å; V9-I31 HydrophobicContact CB-CG2 3.67Å; V9-I31 HydrophobicContact CG1-CG2 3.73Å; V9-I31 HydrophobicContact CG2-CG2 4.11Å; V9-H33 HydrophobicContact CG2-CB 4.37Å
10E76.9Confident73Confident121 Ų12178.5 Ų78.557%0.56540%0.396SS*.EExtended strand (participates in β ladder)trans-73.7127177.8-169.5171-160.200110.1F15E10-F15 HydrophobicContact CB-CD1 4.36Å; E10-F15 HydrophobicContact CB-CE1 4.03Å; E10-F15 HydrophobicContact CB-CZ 4.47Å
11Y76.9Confident73.2Confident104 Ų10474.9 Ų74.941%0.40838%0.378SS..EExtended strand (participates in β ladder)trans-149.2121176.6-177.6-107.2000108.8D13 R14 I16 H33Y11-D13 PolarHBondContact O-N 2.85Å; Y11-R14 PolarHBondContact N-O 3.34Å; Y11-R14 PolarHBondContact O-N 3.38Å; Y11-R14 VanDerWaalsContact O-O 3.05Å; Y11-I16 HydrophobicContact CD1-CD1 3.7Å; Y11-I16 HydrophobicContact CG-CD1 3.91Å; Y11-H33 HydrophobicContact CD2-CB 4.24Å; Y11-H33 AromaticContact CD2-CD2 3.65Å; Y11-H33 AromaticContact CD2-CE1 3.77Å; Y11-H33 AromaticContact CD2-CG 3.61Å; Y11-H33 AromaticContact CD2-ND1 3.68Å; Y11-H33 AromaticContact CD2-NE2 3.76Å; Y11-H33 AromaticContact CE2-CD2 3.86Å; Y11-H33 HydrophobicContact CG-CB 4.26Å
12N83Confident73.6Confident121 Ų12170.1 Ų70.165%0.64735%0.352SS*.THydrogen-bonded Turntrans50.853.2-175.8-62-26.4000113.1R14N12-R14 PolarHBondContact O-N 3.42Å; N12-R14 VanDerWaalsContact O-N 3.08Å
13D80.1Confident74Confident151 Ų15168.6 Ų68.681%0.80734%0.343SS*.THydrogen-bonded Turntrans56.622.8179.9-54.3-43.5000114.6Y11Y11-D13 PolarHBondContact O-N 2.85Å
14R78.1Confident74.2Confident189 Ų18968.9 Ų68.971%0.71335%0.35SS*.EExtended strand (participates in β ladder)trans-133.3141.2176.6-65.1-178-179.1-1780.7110.2Y11 N12 I16Y11-R14 PolarHBondContact N-O 3.34Å; Y11-R14 PolarHBondContact O-N 3.38Å; Y11-R14 VanDerWaalsContact O-O 3.05Å; N12-R14 PolarHBondContact O-N 3.42Å; N12-R14 VanDerWaalsContact O-N 3.08Å; R14-I16 PolarHBondContact O-N 2.87Å
15F75.8Confident74.4Confident144 Ų14474 Ų7463%0.63237%0.367SS*.EExtended strand (participates in β ladder)trans-81.1117.9169.9-72.5-80.1000109.8P8 V9 E10P8-F15 HydrophobicContact CB-CB 3.96Å; P8-F15 HydrophobicContact CB-CD1 4.15Å; P8-F15 HydrophobicContact CB-CG 4.45Å; V9-F15 WeakPolarHBondContact O-CA 3.4Å; E10-F15 HydrophobicContact CB-CD1 4.36Å; E10-F15 HydrophobicContact CB-CE1 4.03Å; E10-F15 HydrophobicContact CB-CZ 4.47Å
16I71.6Confident74.7Confident43 Ų4378.4 Ų78.422%0.22138%0.378CS..EExtended strand (participates in β ladder)trans-119.9164.9176.261.7167.4000110.7P8 V9 Y11 R14 G18 H33 Q34P8-I16 CarbonylContact C-O 3.51Å; P8-I16 VanDerWaalsContact CA-O 3.29Å; P8-I16 WeakPolarHBondContact CA-O 3.34Å; V9-I16 HydrophobicContact CG2-CG1 4.23Å; V9-I16 PolarHBondContact N-O 2.9Å; V9-I16 PolarHBondContact O-N 3.47Å; Y11-I16 HydrophobicContact CD1-CD1 3.7Å; Y11-I16 HydrophobicContact CG-CD1 3.91Å; R14-I16 PolarHBondContact O-N 2.87Å; I16-G18 PolarHBondContact O-N 3.07Å; I16-H33 HydrophobicContact CD1-CB 3.74Å; I16-H33 HydrophobicContact CG1-CB 4.5Å; I16-Q34 HydrophobicContact CD1-CG 3.88Å
17R67.8Low75.4Confident110 Ų11086.3 Ų86.342%0.41540%0.398SS..EExtended strand (participates in β ladder)trans-59.8135.2175.2-66.7-174.4-176.5-163.64.4109.9Q34 C71 E74R17-Q34 WeakPolarHBondContact O-CA 3.31Å; R17-Q34 PolarHBondContact O-N 3.31Å; R17-C71 HydrophobicContact CG-CB 3.95Å; R17-C71 VanDerWaalsContact NE-CB 3.31Å; R17-E74 IonicContact CZ-OE1 3.81Å; R17-E74 IonicContact NH1-OE1 3.11Å; R17-E74 PolarHBondContact NH1-OE1 3.5Å; R17-E74 IonicContact NH1-OE2 2.68Å; R17-E74 VanDerWaalsContact NH2-CD 3.32Å; R17-E74 IonicContact NH2-OE1 3.97Å; R17-E74 PolarHBondContact NH2-OE1 3.28Å; R17-E74 IonicContact NH2-OE2 2.79Å
18G70.7Confident76.1Confident7 Ų788 Ų887%0.07241%0.412CS..EExtended strand (participates in β ladder)trans-163.9179.9174.500000112.4L7 I16 Y32L7-G18 PolarHBondContact N-O 3.3Å; L7-G18 VanDerWaalsContact N-O 3.16Å; L7-G18 CarbonylContact O-C 3.48Å; L7-G18 PolarHBondContact O-N 3.46Å; I16-G18 PolarHBondContact O-N 3.07Å; G18-Y32 CarbonylContact C-O 3.52Å; G18-Y32 WeakPolarHBondContact CA-O 3.31Å
19I74.4Confident76.6Confident6 Ų687 Ų873%0.03141%0.405CS..EExtended strand (participates in β ladder)trans-123.4133.2177.2-66.6169.3000108.2I4 V21 Y32 S35 G37 A38I4-I19 HydrophobicContact CG2-CG2 3.52Å; I19-V21 HydrophobicContact CG2-CG2 3.95Å; I19-Y32 PolarHBondContact N-O 2.78Å; I19-Y32 PolarHBondContact O-N 2.92Å; I19-S35 WeakPolarHBondContact CB-OG 3.45Å; I19-S35 VanDerWaalsContact CD1-OG 3.3Å; I19-S35 WeakPolarHBondContact CD1-OG 3.45Å; I19-S35 WeakPolarHBondContact CG1-OG 3.38Å; I19-S35 PolarHBondContact N-OG 3.15Å; I19-G37 WeakPolarHBondContact CD1-O 3.35Å; I19-A38 HydrophobicContact CD1-CB 4.37Å
20A74.9Confident76.9Confident1 Ų187.2 Ų87.21%0.00841%0.409CS..EExtended strand (participates in β ladder)trans-103.6127.316800000109.6A5 L7 F22 G30 I31A5-A20 PolarHBondContact N-O 3.34Å; A5-A20 PolarHBondContact O-N 3.36Å; L7-A20 HydrophobicContact CD1-CB 3.92Å; L7-A20 HydrophobicContact CD2-CB 4.1Å; L7-A20 HydrophobicContact CG-CB 4.15Å; A20-F22 HydrophobicContact CB-CD2 4.46Å; A20-F22 HydrophobicContact CB-CE2 3.65Å; A20-F22 HydrophobicContact CB-CZ 4.07Å; A20-G30 WeakPolarHBondContact CA-O 3.36Å; A20-I31 HydrophobicContact CB-CD1 3.71Å
21V77.2Confident77.1Confident2 Ų284.8 Ų84.81%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-111.4107.7-179.3177.30000109.3I19 T23 P29 G30 Y32 I47 V49I19-V21 HydrophobicContact CG2-CG2 3.95Å; V21-T23 HydrophobicContact CG1-CG2 3.9Å; V21-P29 WeakPolarHBondContact O-CA 3.44Å; V21-G30 PolarHBondContact N-O 3.39Å; V21-G30 PolarHBondContact O-N 2.97Å; V21-Y32 HydrophobicContact CB-CE2 4.25Å; V21-Y32 HydrophobicContact CG2-CD2 4.17Å; V21-Y32 HydrophobicContact CG2-CE2 3.88Å; V21-I47 HydrophobicContact CG1-CD1 3.27Å; V21-I47 HydrophobicContact CG1-CG1 4.47Å; V21-I47 HydrophobicContact CG1-CG2 4.41Å; V21-I47 HydrophobicContact CG2-CG2 4.28Å; V21-V49 HydrophobicContact CG2-CG2 4.44Å
22F77.6Confident77Confident85 Ų8582.9 Ų82.937%0.37339%0.391SS..EExtended strand (participates in β ladder)trans-95.3119.1175.7-55.8-97.9000108.6T2 I3 A5 A20 P29T2-F22 CarbonylContact C-O 3.56Å; T2-F22 VanDerWaalsContact CA-O 3.3Å; T2-F22 WeakPolarHBondContact CA-O 3.3Å; I3-F22 HydrophobicContact CB-CB 4.14Å; I3-F22 HydrophobicContact CB-CD2 4.32Å; I3-F22 HydrophobicContact CG2-CD2 4.44Å; I3-F22 PolarHBondContact N-O 3.13Å; I3-F22 PolarHBondContact O-N 3.36Å; A5-F22 HydrophobicContact CB-CE2 4.3Å; A20-F22 HydrophobicContact CB-CD2 4.46Å; A20-F22 HydrophobicContact CB-CE2 3.65Å; A20-F22 HydrophobicContact CB-CZ 4.07Å; F22-P29 HydrophobicContact CD1-CB 3.82Å; F22-P29 HydrophobicContact CD1-CG 4.38Å; F22-P29 HydrophobicContact CE1-CB 3.68Å; F22-P29 HydrophobicContact CE1-CG 3.88Å; F22-P29 HydrophobicContact CE2-CB 4.48Å; F22-P29 HydrophobicContact CG-CB 4.28Å; F22-P29 HydrophobicContact CZ-CB 4.02Å; F22-P29 HydrophobicContact CZ-CG 4.34Å
23T76.5Confident76.4Confident12 Ų1280.8 Ų80.87%0.07438%0.378CS..  trans-126.3144.6178.850.20000109.8T2 V21 W25 R26 I47T2-T23 HydrophobicContact CG2-CG2 4Å; V21-T23 HydrophobicContact CG1-CG2 3.9Å; T23-W25 HydrophobicContact CG2-CH2 3.88Å; T23-W25 HydrophobicContact CG2-CZ2 3.49Å; T23-W25 VanDerWaalsContact CG2-CZ2 3.49Å; T23-W25 PolarHBondContact O-N 3.45Å; T23-R26 PolarHBondContact O-N 3.31Å; T23-R26 VanDerWaalsContact O-N 3.14Å; T23-R26 WeakPolarHBondContact OG1-CB 3.48Å; T23-R26 WeakPolarHBondContact OG1-CD 3.24Å; T23-R26 WeakPolarHBondContact OG1-CG 3.44Å; T23-I47 HydrophobicContact CG2-CD1 3.67Å
24P74.2Confident75.7Confident91 Ų9180.3 Ų80.359%0.59137%0.37SS*.THydrogen-bonded Turntrans-58.6-24.2-177.3-24.432.8000114.5M1M1-P24 WeakPolarHBondContact O-CD 3.16Å
25W77.6Confident74.9Confident145 Ų14571.9 Ų71.955%0.54934%0.341SS..THydrogen-bonded Turntrans-95.7-2.2-175.957.185.6000114T23 R45T23-W25 HydrophobicContact CG2-CH2 3.88Å; T23-W25 HydrophobicContact CG2-CZ2 3.49Å; T23-W25 VanDerWaalsContact CG2-CZ2 3.49Å; T23-W25 PolarHBondContact O-N 3.45Å; W25-R45 HydrophobicContact CH2-CB 4.4Å; W25-R45 WeakPolarHBondContact CH2-O 3.35Å; W25-R45 WeakPolarHBondContact CZ2-O 3.48Å
26R75.4Confident74.6Confident119 Ų11968.1 Ų68.145%0.44933%0.325SS..  trans-109.9135.4174.6-68-175.8175.7173.8-0.3110.3T23 T28T23-R26 PolarHBondContact O-N 3.31Å; T23-R26 VanDerWaalsContact O-N 3.14Å; T23-R26 WeakPolarHBondContact OG1-CB 3.48Å; T23-R26 WeakPolarHBondContact OG1-CD 3.24Å; T23-R26 WeakPolarHBondContact OG1-CG 3.44Å; R26-T28 WeakPolarHBondContact CB-O 3.43Å
27K83.7Confident74.7Confident216 Ų21666.1 Ų66.194%0.93931%0.314SS*.SBendtrans-72-30.3175-73.8-172.6177.8-178.20112.8
28T82.9Confident75Confident104 Ų10460.9 Ų60.964%0.63829%0.294SS*.SBendtrans-120.8146.5178.250.50000109.8R26R26-T28 WeakPolarHBondContact CB-O 3.43Å
29P80.3Confident75.2Confident50 Ų5060.6 Ų60.633%0.32529%0.291SS..  trans-61.5142.317424.8-31.6000110.5V21 F22 I31V21-P29 WeakPolarHBondContact O-CA 3.44Å; F22-P29 HydrophobicContact CD1-CB 3.82Å; F22-P29 HydrophobicContact CD1-CG 4.38Å; F22-P29 HydrophobicContact CE1-CB 3.68Å; F22-P29 HydrophobicContact CE1-CG 3.88Å; F22-P29 HydrophobicContact CE2-CB 4.48Å; F22-P29 HydrophobicContact CG-CB 4.28Å; F22-P29 HydrophobicContact CZ-CB 4.02Å; F22-P29 HydrophobicContact CZ-CG 4.34Å; P29-I31 HydrophobicContact CB-CD1 4.12Å; P29-I31 HydrophobicContact CG-CD1 4.09Å; P29-I31 PolarHBondContact O-N 3.26Å
30G80Confident75Confident11 Ų1162.7 Ų62.711%0.11330%0.303CS..EExtended strand (participates in β ladder)trans-73.2121.316600000108.7A20 V21A20-G30 WeakPolarHBondContact CA-O 3.36Å; V21-G30 PolarHBondContact N-O 3.39Å; V21-G30 PolarHBondContact O-N 2.97Å
31I79.6Confident74.5Confident70 Ų7063.4 Ų63.436%0.35931%0.31SS..EExtended strand (participates in β ladder)trans-105.9127.9-179.4-58.1-56.8000108.6V9 A20 P29V9-I31 HydrophobicContact CB-CG2 3.67Å; V9-I31 HydrophobicContact CG1-CG2 3.73Å; V9-I31 HydrophobicContact CG2-CG2 4.11Å; A20-I31 HydrophobicContact CB-CD1 3.71Å; P29-I31 HydrophobicContact CB-CD1 4.12Å; P29-I31 HydrophobicContact CG-CD1 4.09Å; P29-I31 PolarHBondContact O-N 3.26Å
32Y75.9Confident73.4Confident64 Ų6473.1 Ų73.125%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-124.7118.6-179.5-59-95.6000109G18 I19 V21 V49G18-Y32 CarbonylContact C-O 3.52Å; G18-Y32 WeakPolarHBondContact CA-O 3.31Å; I19-Y32 PolarHBondContact N-O 2.78Å; I19-Y32 PolarHBondContact O-N 2.92Å; V21-Y32 HydrophobicContact CB-CE2 4.25Å; V21-Y32 HydrophobicContact CG2-CD2 4.17Å; V21-Y32 HydrophobicContact CG2-CE2 3.88Å; Y32-V49 HydrophobicContact CD1-CB 3.83Å; Y32-V49 HydrophobicContact CD1-CG1 3.81Å; Y32-V49 HydrophobicContact CD1-CG2 3.82Å; Y32-V49 HydrophobicContact CD2-CB 4.5Å; Y32-V49 HydrophobicContact CD2-CG1 4.36Å; Y32-V49 HydrophobicContact CD2-CG2 3.73Å; Y32-V49 HydrophobicContact CE1-CB 4.03Å; Y32-V49 HydrophobicContact CE1-CG2 3.75Å; Y32-V49 HydrophobicContact CE2-CG2 3.66Å; Y32-V49 HydrophobicContact CG-CB 4.08Å; Y32-V49 HydrophobicContact CG-CG1 3.73Å; Y32-V49 HydrophobicContact CG-CG2 3.81Å
33H69.8Low71.9Confident77 Ų7780.3 Ų80.336%0.35637%0.371SS..EExtended strand (participates in β ladder)trans-90136.7-176.3-26.4-79.9000109.6V9 Y11 I16 S35V9-H33 HydrophobicContact CG2-CB 4.37Å; Y11-H33 HydrophobicContact CD2-CB 4.24Å; Y11-H33 AromaticContact CD2-CD2 3.65Å; Y11-H33 AromaticContact CD2-CE1 3.77Å; Y11-H33 AromaticContact CD2-CG 3.61Å; Y11-H33 AromaticContact CD2-ND1 3.68Å; Y11-H33 AromaticContact CD2-NE2 3.76Å; Y11-H33 AromaticContact CE2-CD2 3.86Å; Y11-H33 HydrophobicContact CG-CB 4.26Å; I16-H33 HydrophobicContact CD1-CB 3.74Å; I16-H33 HydrophobicContact CG1-CB 4.5Å; H33-S35 PolarHBondContact O-N 2.95Å
34Q65.4Low70.6Confident141 Ų14181.4 Ų81.466%0.65938%0.379SS*.SBendtrans63.412.2-178.1-53.6-170.2-17.700116.5I16 R17I16-Q34 HydrophobicContact CD1-CG 3.88Å; R17-Q34 WeakPolarHBondContact O-CA 3.31Å; R17-Q34 PolarHBondContact O-N 3.31Å
35S62.6Low69.8Low12 Ų1287.6 Ų87.68%0.08439%0.391CS..  trans-64.7135.4176.6610000112.3I19 H33 V49 V50I19-S35 WeakPolarHBondContact CB-OG 3.45Å; I19-S35 VanDerWaalsContact CD1-OG 3.3Å; I19-S35 WeakPolarHBondContact CD1-OG 3.45Å; I19-S35 WeakPolarHBondContact CG1-OG 3.38Å; I19-S35 PolarHBondContact N-OG 3.15Å; H33-S35 PolarHBondContact O-N 2.95Å; S35-V49 VanDerWaalsContact CB-CG1 3.49Å; S35-V50 CarbonylContact C-O 3.56Å; S35-V50 WeakPolarHBondContact CA-O 3.35Å
36H67.7Low69.1Low65 Ų6584.1 Ų84.130%0.30139%0.386SS..  trans-81.1-23175.5-70.278.4000112.8V50 D51 Q53 T68H36-V50 HydrophobicContact CB-CG1 4.17Å; H36-V50 PolarHBondContact N-O 3.18Å; H36-D51 PolarHBondContact CE1-O 3.12Å; H36-D51 PolarHBondContact ND1-O 2.55Å; H36-Q53 PolarHBondContact NE2-NE2 3.39Å; H36-T68 WeakPolarHBondContact O-CB 3.3Å; H36-T68 PolarHBondContact O-OG1 2.85Å
37G74.2Confident68.7Low0 Ų080 Ų800%037%0.372CS..EExtended strand (participates in β ladder)trans177.1-174.2-177.500000113.1I19 V50 T67I19-G37 WeakPolarHBondContact CD1-O 3.35Å; G37-V50 PolarHBondContact N-O 3.08Å; G37-V50 PolarHBondContact O-N 3.19Å; G37-T67 CarbonylContact C-O 3.58Å; G37-T67 WeakPolarHBondContact CA-O 3.49Å
38A75.3Confident68.1Low0 Ų072.3 Ų72.30%034%0.344CS..EExtended strand (participates in β ladder)trans-143.4140.7173.500000110.8I4 I19 I47 T48 V49 F66 T67I4-A38 HydrophobicContact CD1-CB 4.02Å; I4-A38 HydrophobicContact CG2-CB 4.03Å; I19-A38 HydrophobicContact CD1-CB 4.37Å; A38-I47 HydrophobicContact CB-CG2 3.99Å; A38-T48 CarbonylContact C-O 3.55Å; A38-T48 VanDerWaalsContact CA-O 3.3Å; A38-T48 WeakPolarHBondContact CA-O 3.43Å; A38-V49 HydrophobicContact CB-CG2 4.48Å; A38-F66 CarbonylContact O-C 3.57Å; A38-F66 WeakPolarHBondContact O-CA 3.24Å; A38-T67 PolarHBondContact N-O 3.4Å; A38-T67 PolarHBondContact O-N 3.42Å
39C74.1Confident67.6Low1 Ų168.5 Ų68.51%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-101.9144.1175-62.30000111.4I47 T48 C63 L65 F66C39-I47 WeakPolarHBondContact O-CA 3.33Å; C39-T48 PolarHBondContact N-O 3.1Å; C39-T48 PolarHBondContact O-N 3.45Å; C39-C63 HydrophobicContact CB-CB 3.89Å; C39-C63 WeakPolarHBondContact CB-SG 3.46Å; C39-L65 CarbonylContact C-O 3.54Å; C39-L65 VanDerWaalsContact CA-O 3.31Å; C39-L65 WeakPolarHBondContact CA-O 3.45Å; C39-F66 VanDerWaalsContact SG-CD2 3.55Å
40L70.7Confident67Low51 Ų5166.3 Ų66.327%0.26731%0.306SS..EExtended strand (participates in β ladder)trans-113.1121.1173.3-78.6153.7000110.3I4 I47 S64 L65I4-L40 HydrophobicContact CD1-CD1 3.74Å; I4-L40 HydrophobicContact CD1-CD2 4.18Å; I4-L40 HydrophobicContact CD1-CG 3.83Å; L40-I47 HydrophobicContact CD2-CG1 3.88Å; L40-S64 PolarHBondContact O-N 2.87Å; L40-S64 PolarHBondContact O-OG 3.21Å; L40-S64 VanDerWaalsContact O-OG 3.11Å; L40-L65 HydrophobicContact CB-CB 4.4Å; L40-L65 HydrophobicContact CD1-CD2 4.06Å; L40-L65 PolarHBondContact N-O 3.35Å; L40-L65 PolarHBondContact O-N 2.75Å
41G63Low66.3Low16 Ų1670.3 Ų70.317%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-77.5145.2175.900000113.6T62G41-T62 CarbonylContact C-O 3.51Å; G41-T62 VanDerWaalsContact CA-O 3.29Å; G41-T62 WeakPolarHBondContact CA-O 3.38Å
42R54Low65.4Low206 Ų20673.9 Ų73.978%0.77734%0.34SS*.SBendtrans-66.3-37.6175.4-95.5177.9-172.7-169.64.7113T62R42-T62 PolarHBondContact N-O 3.47Å
43R46.1Very low64.6Low235 Ų23575 Ų7589%0.88735%0.347SS*.SBendtrans-112.8-38.1-171.5-68.4-175.5177.8178.90.7112.9R45R43-R45 PolarHBondContact O-N 3.4Å
44S50.9Low63.8Low35 Ų3572 Ų7225%0.24534%0.335CS..SBendtrans-77.2122.1174.757.50000107.3T46S44-T46 WeakPolarHBondContact CB-OG1 3.36Å; S44-T46 PolarHBondContact O-N 3.35Å; S44-T46 PolarHBondContact OG-OG1 3Å
45R56.4Low63.3Low221 Ų22171.9 Ų71.983%0.83433%0.334SS*.  trans-69.629.6168.3-65-178.5-179.8169.10.5111W25 R43W25-R45 HydrophobicContact CH2-CB 4.4Å; W25-R45 WeakPolarHBondContact CH2-O 3.35Å; W25-R45 WeakPolarHBondContact CZ2-O 3.48Å; R43-R45 PolarHBondContact O-N 3.4Å
46T62.5Low62.8Low73 Ų7374.8 Ų74.845%0.44837%0.366SS..  trans-105.5148.5-174.361.20000109.2S44S44-T46 WeakPolarHBondContact CB-OG1 3.36Å; S44-T46 PolarHBondContact O-N 3.35Å; S44-T46 PolarHBondContact OG-OG1 3Å
47I68.4Low62.5Low31 Ų3173.3 Ų73.316%0.15936%0.36CS..EExtended strand (participates in β ladder)trans-117121.6177.5-62.2152.5000104.7T2 I4 V21 T23 A38 C39 L40 V49T2-I47 HydrophobicContact CG2-CD1 3.22Å; T2-I47 HydrophobicContact CG2-CG1 4.14Å; I4-I47 HydrophobicContact CD1-CG2 3.94Å; V21-I47 HydrophobicContact CG1-CD1 3.27Å; V21-I47 HydrophobicContact CG1-CG1 4.47Å; V21-I47 HydrophobicContact CG1-CG2 4.41Å; V21-I47 HydrophobicContact CG2-CG2 4.28Å; T23-I47 HydrophobicContact CG2-CD1 3.67Å; A38-I47 HydrophobicContact CB-CG2 3.99Å; C39-I47 WeakPolarHBondContact O-CA 3.33Å; L40-I47 HydrophobicContact CD2-CG1 3.88Å; I47-V49 HydrophobicContact CG2-CG2 4.46Å
48T71Confident61.7Low56 Ų5681.2 Ų81.234%0.34440%0.402SS..EExtended strand (participates in β ladder)trans-97.7117176.8-54.10000107.2A38 C39A38-T48 CarbonylContact C-O 3.55Å; A38-T48 VanDerWaalsContact CA-O 3.3Å; A38-T48 WeakPolarHBondContact CA-O 3.43Å; C39-T48 PolarHBondContact N-O 3.1Å; C39-T48 PolarHBondContact O-N 3.45Å
49V70.8Confident61.1Low24 Ų2482.5 Ų82.515%0.14541%0.408CS..EExtended strand (participates in β ladder)trans-87.5135.3177-178.60000108.6V21 Y32 S35 A38 I47V21-V49 HydrophobicContact CG2-CG2 4.44Å; Y32-V49 HydrophobicContact CD1-CB 3.83Å; Y32-V49 HydrophobicContact CD1-CG1 3.81Å; Y32-V49 HydrophobicContact CD1-CG2 3.82Å; Y32-V49 HydrophobicContact CD2-CB 4.5Å; Y32-V49 HydrophobicContact CD2-CG1 4.36Å; Y32-V49 HydrophobicContact CD2-CG2 3.73Å; Y32-V49 HydrophobicContact CE1-CB 4.03Å; Y32-V49 HydrophobicContact CE1-CG2 3.75Å; Y32-V49 HydrophobicContact CE2-CG2 3.66Å; Y32-V49 HydrophobicContact CG-CB 4.08Å; Y32-V49 HydrophobicContact CG-CG1 3.73Å; Y32-V49 HydrophobicContact CG-CG2 3.81Å; S35-V49 VanDerWaalsContact CB-CG1 3.49Å; A38-V49 HydrophobicContact CB-CG2 4.48Å; I47-V49 HydrophobicContact CG2-CG2 4.46Å
50V69Low60.6Low4 Ų485.3 Ų85.32%0.02442%0.423CS..EExtended strand (participates in β ladder)trans-98.7106.6-178172.90000108.2S35 H36 G37 E52 M57 F66S35-V50 CarbonylContact C-O 3.56Å; S35-V50 WeakPolarHBondContact CA-O 3.35Å; H36-V50 HydrophobicContact CB-CG1 4.17Å; H36-V50 PolarHBondContact N-O 3.18Å; G37-V50 PolarHBondContact N-O 3.08Å; G37-V50 PolarHBondContact O-N 3.19Å; V50-E52 VanDerWaalsContact CG1-O 3.26Å; V50-E52 WeakPolarHBondContact CG1-O 3.47Å; V50-M57 HydrophobicContact CB-CE 4.08Å; V50-M57 HydrophobicContact CB-SD 3.89Å; V50-M57 HydrophobicContact CG1-CE 3.13Å; V50-M57 HydrophobicContact CG1-CG 4.45Å; V50-M57 HydrophobicContact CG1-SD 3.39Å; V50-M57 WeakPolarHBondContact CG1-SD 3.37Å; V50-M57 HydrophobicContact CG2-CE 3.83Å; V50-M57 HydrophobicContact CG2-SD 3.33Å; V50-M57 WeakPolarHBondContact CG2-SD 3.3Å; V50-F66 HydrophobicContact CB-CE2 4.13Å; V50-F66 HydrophobicContact CG2-CD2 4.29Å; V50-F66 HydrophobicContact CG2-CE2 3.74Å
51D65.9Low60.3Low94 Ų9489 Ų8950%0.50345%0.45SS..  trans-88.9-31.6-179.6-65.1-27.1000112.1H36H36-D51 PolarHBondContact CE1-O 3.12Å; H36-D51 PolarHBondContact ND1-O 2.55Å
52E60.2Low60.3Low145 Ų14590.9 Ų90.968%0.67846%0.459SS*.SBendtrans-96.6162.8-177.7-65.2-171.8170.700113.7V50V50-E52 VanDerWaalsContact CG1-O 3.26Å; V50-E52 WeakPolarHBondContact CG1-O 3.47Å
53Q57.5Low61.2Low87 Ų8781.9 Ų81.941%0.40743%0.427SS..  trans-56.6141174.6-72.1-94.3-52.700109.6H36 Q55H36-Q53 PolarHBondContact NE2-NE2 3.39Å; Q53-Q55 PolarHBondContact O-N 3.13Å
54P54.4Low62.5Low15 Ų1572.6 Ų72.610%0.09740%0.399CS..SBendtrans-61.3-8.8-173.915.3-27.1000116.7G56 M57 F87 Y91P54-G56 PolarHBondContact O-N 2.95Å; P54-M57 HydrophobicContact CB-CE 3.98Å; P54-F87 HydrophobicContact CB-CD2 3.25Å; P54-F87 HydrophobicContact CB-CE2 3.22Å; P54-F87 HydrophobicContact CB-CG 4.33Å; P54-F87 HydrophobicContact CB-CZ 4.29Å; P54-F87 HydrophobicContact CG-CD2 4.24Å; P54-F87 HydrophobicContact CG-CE2 4.48Å; P54-Y91 PolarHBondContact O-OH 2.92Å
55Q54.4Low63.8Low138 Ų13873.2 Ų73.265%0.64540%0.399SS*.THydrogen-bonded Turntrans-84.4104.7175.7-71.2173.9-15.600109.1Q53Q53-Q55 PolarHBondContact O-N 3.13Å
56G52.3Low65Low74 Ų7462.9 Ų62.976%0.76336%0.36SS*.THydrogen-bonded Turntrans102.816.1177.800000115.3P54P54-G56 PolarHBondContact O-N 2.95Å
57M60.4Low65.9Low33 Ų3360.2 Ų60.216%0.16334%0.343CS..  trans-83.8127.1-178.1-151.4-159.1-44.200110.8V50 P54 M59 F87V50-M57 HydrophobicContact CB-CE 4.08Å; V50-M57 HydrophobicContact CB-SD 3.89Å; V50-M57 HydrophobicContact CG1-CE 3.13Å; V50-M57 HydrophobicContact CG1-CG 4.45Å; V50-M57 HydrophobicContact CG1-SD 3.39Å; V50-M57 WeakPolarHBondContact CG1-SD 3.37Å; V50-M57 HydrophobicContact CG2-CE 3.83Å; V50-M57 HydrophobicContact CG2-SD 3.33Å; V50-M57 WeakPolarHBondContact CG2-SD 3.3Å; P54-M57 HydrophobicContact CB-CE 3.98Å; M57-M59 VanDerWaalsContact C-N 3.34Å; M57-M59 HydrophobicContact CE-CG 4.47Å; M57-M59 HydrophobicContact CG-CG 4.49Å; M57-M59 PolarHBondContact O-N 3.21Å; M57-M59 HydrophobicContact SD-CG 3.71Å; M57-M59 HydrophobicContact SD-SD 4.45Å; M57-F87 HydrophobicContact CE-CE2 3.84Å; M57-F87 HydrophobicContact CE-CZ 3.96Å
58D57.4Low66.2Low166 Ų16659.8 Ų59.889%0.88834%0.342SS*.  trans-77.287.9169.3-165.311.2000108.7
59M64.6Low66.1Low27 Ų2758.5 Ų58.513%0.13334%0.341CS..  trans-81.8129.4-179.3-91.3-17040.500111.1M57 P61 C63 F87 Y91 I93M57-M59 VanDerWaalsContact C-N 3.34Å; M57-M59 HydrophobicContact CE-CG 4.47Å; M57-M59 HydrophobicContact CG-CG 4.49Å; M57-M59 PolarHBondContact O-N 3.21Å; M57-M59 HydrophobicContact SD-CG 3.71Å; M57-M59 HydrophobicContact SD-SD 4.45Å; M59-P61 WeakPolarHBondContact O-CD 3.19Å; M59-P61 VanDerWaalsContact O-N 3.13Å; M59-C63 HydrophobicContact CE-CB 4.06Å; M59-F87 HydrophobicContact SD-CE1 4Å; M59-F87 HydrophobicContact SD-CE2 4.08Å; M59-F87 HydrophobicContact SD-CZ 3.31Å; M59-F87 WeakPolarHBondContact SD-CZ 3.26Å; M59-Y91 HydrophobicContact CB-CD1 4.3Å; M59-Y91 HydrophobicContact CB-CE1 4.49Å; M59-Y91 HydrophobicContact CE-CD1 4.44Å; M59-Y91 HydrophobicContact CE-CG 4.33Å; M59-Y91 HydrophobicContact CG-CD1 4.46Å; M59-Y91 HydrophobicContact SD-CD1 3.95Å; M59-Y91 HydrophobicContact SD-CD2 4.35Å; M59-Y91 HydrophobicContact SD-CE1 4.39Å; M59-Y91 HydrophobicContact SD-CG 3.91Å; M59-I93 HydrophobicContact CE-CD1 3.56Å; M59-I93 HydrophobicContact CE-CG2 4.32Å
60D63.3Low65.7Low60 Ų6058.1 Ų58.132%0.32134%0.337SS..  trans-54.6119.2171179.1-23.8000109.7T62 C63D60-T62 VanDerWaalsContact CG-OG1 3.22Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 VanDerWaalsContact OD1-CB 3.29Å; D60-T62 WeakPolarHBondContact OD1-CB 3.45Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.41Å; D60-T62 PolarHBondContact OD1-N 3.48Å; D60-T62 PolarHBondContact OD1-OG1 2.62Å; D60-T62 PolarHBondContact OD2-OG1 2.86Å; D60-C63 VanDerWaalsContact O-CB 3.23Å; D60-C63 WeakPolarHBondContact O-CB 3.42Å; D60-C63 PolarHBondContact O-N 3.39Å; D60-C63 PolarHBondContact O-SG 2.89Å
61P63.6Low65.1Low128 Ų12860.1 Ų60.183%0.83135%0.351SS*.THydrogen-bonded Turntrans-65.3-9.3-175.126.1-34.9000113.5M59 C63M59-P61 WeakPolarHBondContact O-CD 3.19Å; M59-P61 VanDerWaalsContact O-N 3.13Å; P61-C63 VanDerWaalsContact C-N 3.3Å
62T64.2Low64.3Low57 Ų5760.9 Ų60.935%0.3535%0.354SS..THydrogen-bonded Turntrans-81.5-8.5173.670.90000113.6G41 R42 D60G41-T62 CarbonylContact C-O 3.51Å; G41-T62 VanDerWaalsContact CA-O 3.29Å; G41-T62 WeakPolarHBondContact CA-O 3.38Å; R42-T62 PolarHBondContact N-O 3.47Å; D60-T62 VanDerWaalsContact CG-OG1 3.22Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 VanDerWaalsContact OD1-CB 3.29Å; D60-T62 WeakPolarHBondContact OD1-CB 3.45Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.41Å; D60-T62 PolarHBondContact OD1-N 3.48Å; D60-T62 PolarHBondContact OD1-OG1 2.62Å; D60-T62 PolarHBondContact OD2-OG1 2.86Å
63C72Confident64Low17 Ų1755.9 Ų55.912%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-63.7138176.3-66.20000111.4C39 M59 D60 P61 I93C39-C63 HydrophobicContact CB-CB 3.89Å; C39-C63 WeakPolarHBondContact CB-SG 3.46Å; M59-C63 HydrophobicContact CE-CB 4.06Å; D60-C63 VanDerWaalsContact O-CB 3.23Å; D60-C63 WeakPolarHBondContact O-CB 3.42Å; D60-C63 PolarHBondContact O-N 3.39Å; D60-C63 PolarHBondContact O-SG 2.89Å; P61-C63 VanDerWaalsContact C-N 3.3Å; C63-I93 HydrophobicContact CB-CD1 3.64Å
64S73.3Confident64.1Low40 Ų4054.7 Ų54.728%0.2834%0.336SS..EExtended strand (participates in β ladder)trans-129.5-19.2-176.258.40000114.7L40 I93 A94L40-S64 PolarHBondContact O-N 2.87Å; L40-S64 PolarHBondContact O-OG 3.21Å; L40-S64 VanDerWaalsContact O-OG 3.11Å; S64-I93 WeakPolarHBondContact O-CG1 3.24Å; S64-A94 PolarHBondContact O-N 2.82Å
65L78.3Confident64.4Low48 Ų4860.4 Ų60.425%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-140.4123174.4178.166.8000108.6C39 L40 A94 L96 L106C39-L65 CarbonylContact C-O 3.54Å; C39-L65 VanDerWaalsContact CA-O 3.31Å; C39-L65 WeakPolarHBondContact CA-O 3.45Å; L40-L65 HydrophobicContact CB-CB 4.4Å; L40-L65 HydrophobicContact CD1-CD2 4.06Å; L40-L65 PolarHBondContact N-O 3.35Å; L40-L65 PolarHBondContact O-N 2.75Å; L65-A94 CarbonylContact C-O 3.51Å; L65-A94 WeakPolarHBondContact CA-O 3.4Å; L65-A94 HydrophobicContact CD1-CB 3.79Å; L65-L96 HydrophobicContact CD1-CB 4.21Å; L65-L106 HydrophobicContact CD1-CD1 4.16Å
66F82Confident65.1Low3 Ų358 Ų581%0.01337%0.365CS..EExtended strand (participates in β ladder)trans-98.4139.6165.4174.5-107.9000109A38 C39 V50 T68 L84 F87 I93 A94 V95 L96A38-F66 CarbonylContact O-C 3.57Å; A38-F66 WeakPolarHBondContact O-CA 3.24Å; C39-F66 VanDerWaalsContact SG-CD2 3.55Å; V50-F66 HydrophobicContact CB-CE2 4.13Å; V50-F66 HydrophobicContact CG2-CD2 4.29Å; V50-F66 HydrophobicContact CG2-CE2 3.74Å; F66-T68 HydrophobicContact CE1-CG2 4.29Å; F66-L84 HydrophobicContact CD1-CD2 4.43Å; F66-L84 HydrophobicContact CE1-CD2 3.8Å; F66-F87 HydrophobicContact CB-CD1 4.47Å; F66-F87 HydrophobicContact CB-CE1 3.75Å; F66-F87 AromaticContact CD1-CD1 3.74Å; F66-F87 HydrophobicContact CD1-CD1 3.74Å; F66-F87 AromaticContact CD1-CE1 3.45Å; F66-F87 HydrophobicContact CD1-CE1 3.45Å; F66-F87 VanDerWaalsContact CD1-CE1 3.45Å; F66-F87 HydrophobicContact CD1-CZ 4.28Å; F66-F87 AromaticContact CD2-CE1 3.96Å; F66-F87 HydrophobicContact CD2-CE1 3.96Å; F66-F87 HydrophobicContact CD2-CZ 4.22Å; F66-F87 HydrophobicContact CE1-CD1 4.18Å; F66-F87 AromaticContact CE1-CE1 3.96Å; F66-F87 HydrophobicContact CE1-CE1 3.96Å; F66-F87 HydrophobicContact CE1-CZ 4.43Å; F66-F87 HydrophobicContact CE2-CE1 4.39Å; F66-F87 HydrophobicContact CE2-CZ 4.36Å; F66-F87 HydrophobicContact CG-CD1 4.18Å; F66-F87 AromaticContact CG-CE1 3.44Å; F66-F87 HydrophobicContact CG-CE1 3.44Å; F66-F87 VanDerWaalsContact CG-CE1 3.44Å; F66-F87 HydrophobicContact CG-CZ 4.15Å; F66-F87 HydrophobicContact CZ-CE1 4.39Å; F66-F87 HydrophobicContact CZ-CZ 4.46Å; F66-I93 HydrophobicContact CB-CD1 4.08Å; F66-I93 HydrophobicContact CB-CG2 4.42Å; F66-A94 PolarHBondContact N-O 3.39Å; F66-V95 HydrophobicContact CB-CG2 4.15Å; F66-V95 HydrophobicContact CD1-CG1 3.95Å; F66-V95 HydrophobicContact CD1-CG2 4.05Å; F66-V95 CarbonylContact O-C 3.54Å; F66-V95 VanDerWaalsContact O-CA 3.32Å; F66-V95 WeakPolarHBondContact O-CA 3.41Å; F66-L96 PolarHBondContact O-N 2.78Å
67T80.5Confident65.7Low17 Ų1757 Ų5710%0.10434%0.342CS..EExtended strand (participates in β ladder)trans-131.4142.6172.5-172.50000111.5I4 G37 A38 L96I4-T67 HydrophobicContact CB-CG2 4.24Å; I4-T67 HydrophobicContact CD1-CG2 4.16Å; I4-T67 HydrophobicContact CG2-CG2 3.82Å; G37-T67 CarbonylContact C-O 3.58Å; G37-T67 WeakPolarHBondContact CA-O 3.49Å; A38-T67 PolarHBondContact N-O 3.4Å; A38-T67 PolarHBondContact O-N 3.42Å; T67-L96 CarbonylContact C-O 3.48Å; T67-L96 WeakPolarHBondContact CA-O 3.18Å; T67-L96 PolarHBondContact OG1-O 3.24Å; T67-L96 VanDerWaalsContact OG1-O 3.05Å
68T75.1Confident66.1Low22 Ų2261.4 Ų61.414%0.13537%0.366CS..EExtended strand (participates in β ladder)trans-134146.2174.3-177.40000110.4H36 F66 L84 L96 A98H36-T68 WeakPolarHBondContact O-CB 3.3Å; H36-T68 PolarHBondContact O-OG1 2.85Å; F66-T68 HydrophobicContact CE1-CG2 4.29Å; T68-L84 HydrophobicContact CG2-CD1 3.37Å; T68-L84 HydrophobicContact CG2-CD2 3.56Å; T68-L84 HydrophobicContact CG2-CG 4.11Å; T68-L96 PolarHBondContact N-O 2.84Å; T68-A98 PolarHBondContact O-N 3.03Å
69G68.4Low66.7Low30 Ų3055.5 Ų55.531%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-107.9129.3173.800000110.7A98G69-A98 WeakPolarHBondContact CA-O 3.28Å
70Q63.6Low67.1Low16 Ų1655.5 Ų55.58%0.07534%0.342CS..EExtended strand (participates in β ladder)trans-91138.8170.8-65.7-167.1-59.600111.3E74 S80 M97 A98Q70-E74 WeakPolarHBondContact CG-OE2 3.22Å; Q70-E74 PolarHBondContact NE2-OE2 2.84Å; Q70-S80 PolarHBondContact NE2-OG 3.41Å; Q70-M97 HydrophobicContact CG-CG 4.41Å; Q70-A98 PolarHBondContact N-O 3.08Å; Q70-A98 VanDerWaalsContact N-O 3.08Å
71C55.2Low67.7Low45 Ų4553.7 Ų53.730%0.30434%0.336SS..  trans-77.9153177.3-157.40000111.3R17 G73 E74R17-C71 HydrophobicContact CG-CB 3.95Å; R17-C71 VanDerWaalsContact NE-CB 3.31Å; C71-G73 PolarHBondContact O-N 3.06Å; C71-G73 VanDerWaalsContact O-N 3.1Å; C71-E74 PolarHBondContact O-N 3.33Å
72L50.6Low68.1Low110 Ų11056 Ų5658%0.57633%0.328SS*.THydrogen-bonded Turntrans-54.2115.6177.2-69169.3000110.7A100 R101L72-A100 HydrophobicContact CD2-CB 3.52Å; L72-A100 HydrophobicContact CG-CB 3.97Å; L72-R101 HydrophobicContact CD2-CG 3.44Å; L72-R101 VanDerWaalsContact CD2-CG 3.44Å
73G53.5Low68.7Low41 Ų4157.9 Ų57.942%0.42333%0.329SS..THydrogen-bonded Turntrans95.315.7172.200000116.2C71 P75C71-G73 PolarHBondContact O-N 3.06Å; C71-G73 VanDerWaalsContact O-N 3.1Å; G73-P75 WeakPolarHBondContact O-CD 3.43Å
74E59.4Low69Low61 Ų6157.9 Ų57.929%0.28533%0.327SS..  trans-60.6119169-166.8158.2-120.600110.4R17 Q70 C71 D76R17-E74 IonicContact CZ-OE1 3.81Å; R17-E74 IonicContact NH1-OE1 3.11Å; R17-E74 PolarHBondContact NH1-OE1 3.5Å; R17-E74 IonicContact NH1-OE2 2.68Å; R17-E74 VanDerWaalsContact NH2-CD 3.32Å; R17-E74 IonicContact NH2-OE1 3.97Å; R17-E74 PolarHBondContact NH2-OE1 3.28Å; R17-E74 IonicContact NH2-OE2 2.79Å; Q70-E74 WeakPolarHBondContact CG-OE2 3.22Å; Q70-E74 PolarHBondContact NE2-OE2 2.84Å; C71-E74 PolarHBondContact O-N 3.33Å; E74-D76 VanDerWaalsContact C-N 3.27Å; E74-D76 PolarHBondContact O-N 3.24Å
75P60.4Low69.2Low136 Ų13660 Ų6088%0.88333%0.333SS*.SBendtrans-72.5-17.2-166.725.4-32.9000113.9G73G73-P75 WeakPolarHBondContact O-CD 3.43Å
76D68.7Low69Low87 Ų8761.8 Ų61.847%0.46534%0.339SS..  trans-122.865.3-171.4-158.8-8.6000113.2E74 L78 A79 S80E74-D76 VanDerWaalsContact C-N 3.27Å; E74-D76 PolarHBondContact O-N 3.24Å; D76-L78 VanDerWaalsContact C-N 3.26Å; D76-L78 PolarHBondContact O-N 3.45Å; D76-A79 HydrophobicContact CB-CB 4.29Å; D76-A79 WeakPolarHBondContact OD1-CB 3.48Å; D76-A79 PolarHBondContact OD1-N 2.98Å; D76-A79 WeakPolarHBondContact OD2-CB 3.34Å; D76-S80 WeakPolarHBondContact O-CB 3.39Å; D76-S80 PolarHBondContact O-N 3.28Å; D76-S80 VanDerWaalsContact O-N 3.12Å; D76-S80 PolarHBondContact O-OG 3.37Å
77L66.6Low68.7Low52 Ų5261.9 Ų61.927%0.27234%0.339SS..Hα-helixtrans-58.3-38.7174.8179.164.2000111.9S80 A81 M97 N103L77-S80 PolarHBondContact O-N 3.42Å; L77-A81 WeakPolarHBondContact O-CB 3.23Å; L77-A81 PolarHBondContact O-N 2.85Å; L77-M97 HydrophobicContact CD1-CE 3.73Å; L77-M97 HydrophobicContact CD1-SD 4.15Å; L77-N103 HydrophobicContact CD2-CB 3.87Å; L77-N103 WeakPolarHBondContact CD2-ND2 3.35Å
78L67.2Low68.5Low127 Ų12761 Ų6167%0.66533%0.334SS*.Hα-helixtrans-68.5-45.6-177.5-85.1159000112D76 S80 A81 R82D76-L78 VanDerWaalsContact C-N 3.26Å; D76-L78 PolarHBondContact O-N 3.45Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.35Å; L78-A81 PolarHBondContact O-N 3.38Å; L78-R82 WeakPolarHBondContact O-CG 3.4Å; L78-R82 PolarHBondContact O-N 2.93Å
79A69.7Low68.2Low42 Ų4260.3 Ų60.335%0.34733%0.329SS..Hα-helixtrans-65.4-38.3175.300000111.4D76 R82 R83D76-A79 HydrophobicContact CB-CB 4.29Å; D76-A79 WeakPolarHBondContact OD1-CB 3.48Å; D76-A79 PolarHBondContact OD1-N 2.98Å; D76-A79 WeakPolarHBondContact OD2-CB 3.34Å; A79-R82 PolarHBondContact O-N 3.44Å; A79-R83 VanDerWaalsContact O-CB 3.31Å; A79-R83 WeakPolarHBondContact O-CB 3.44Å; A79-R83 PolarHBondContact O-N 3.11Å
80S73.5Confident68.3Low26 Ų2660.4 Ų60.418%0.18232%0.321CS..Hα-helixtrans-62.8-45.5177.3-56.50000111.7Q70 D76 L77 L78 R82 R83 L84Q70-S80 PolarHBondContact NE2-OG 3.41Å; D76-S80 WeakPolarHBondContact O-CB 3.39Å; D76-S80 PolarHBondContact O-N 3.28Å; D76-S80 VanDerWaalsContact O-N 3.12Å; D76-S80 PolarHBondContact O-OG 3.37Å; L77-S80 PolarHBondContact O-N 3.42Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.35Å; S80-R82 PolarHBondContact O-N 3.42Å; S80-R83 WeakPolarHBondContact O-CB 3.3Å; S80-R83 PolarHBondContact O-N 3.49Å; S80-L84 WeakPolarHBondContact O-CB 3.25Å; S80-L84 VanDerWaalsContact O-CG 3.31Å; S80-L84 WeakPolarHBondContact O-CG 3.32Å; S80-L84 PolarHBondContact O-N 3.48Å
81A75.7Confident68.8Low22 Ų2261.7 Ų61.718%0.18233%0.326CS..Hα-helixtrans-60.8-45.3175.600000112.1L77 L78 R83 L84 Q85 W107L77-A81 WeakPolarHBondContact O-CB 3.23Å; L77-A81 PolarHBondContact O-N 2.85Å; L78-A81 PolarHBondContact O-N 3.38Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 3.43Å; A81-L84 PolarHBondContact O-N 3.46Å; A81-Q85 WeakPolarHBondContact O-CB 3.31Å; A81-Q85 PolarHBondContact O-N 2.85Å; A81-W107 HydrophobicContact CB-CH2 4.06Å; A81-W107 HydrophobicContact CB-CZ2 3.97Å
82R72.1Confident69.6Low176 Ų17661.8 Ų61.866%0.66433%0.327SS*.Hα-helixtrans-61.8-39.7175.5-72.9-179.1-167.3-178.44.7112.1L78 A79 S80 Q85 F86L78-R82 WeakPolarHBondContact O-CG 3.4Å; L78-R82 PolarHBondContact O-N 2.93Å; A79-R82 PolarHBondContact O-N 3.44Å; S80-R82 PolarHBondContact O-N 3.42Å; R82-Q85 PolarHBondContact O-N 3.25Å; R82-F86 WeakPolarHBondContact O-CB 3.42Å; R82-F86 PolarHBondContact O-N 3.3Å
83R76.8Confident70.7Confident98 Ų9856.7 Ų56.737%0.3730%0.3SS..Hα-helixtrans-65.6-41.9178.7-168.1178.5-144.6-168.3-0.1111.8A79 S80 A81 F86 F87A79-R83 VanDerWaalsContact O-CB 3.31Å; A79-R83 WeakPolarHBondContact O-CB 3.44Å; A79-R83 PolarHBondContact O-N 3.11Å; S80-R83 WeakPolarHBondContact O-CB 3.3Å; S80-R83 PolarHBondContact O-N 3.49Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 3.43Å; R83-F86 PolarHBondContact O-N 2.7Å; R83-F87 WeakPolarHBondContact O-CB 3.19Å; R83-F87 PolarHBondContact O-N 3.43Å
84L79.7Confident72Confident17 Ų1755.6 Ų55.69%0.08929%0.287CS..Hα-helixtrans-71.5-35.9177.9-71173.4000112.6F66 T68 S80 A81 F87 S88 V95 M97 W107F66-L84 HydrophobicContact CD1-CD2 4.43Å; F66-L84 HydrophobicContact CE1-CD2 3.8Å; T68-L84 HydrophobicContact CG2-CD1 3.37Å; T68-L84 HydrophobicContact CG2-CD2 3.56Å; T68-L84 HydrophobicContact CG2-CG 4.11Å; S80-L84 WeakPolarHBondContact O-CB 3.25Å; S80-L84 VanDerWaalsContact O-CG 3.31Å; S80-L84 WeakPolarHBondContact O-CG 3.32Å; S80-L84 PolarHBondContact O-N 3.48Å; A81-L84 PolarHBondContact O-N 3.46Å; L84-F87 WeakPolarHBondContact O-CB 3.4Å; L84-F87 PolarHBondContact O-N 3.19Å; L84-S88 WeakPolarHBondContact O-CB 3.47Å; L84-S88 PolarHBondContact O-N 2.89Å; L84-V95 HydrophobicContact CB-CG1 3.84Å; L84-V95 HydrophobicContact CD2-CG1 4Å; L84-V95 HydrophobicContact CG-CG1 4.35Å; L84-M97 HydrophobicContact CD1-CB 3.73Å; L84-M97 HydrophobicContact CD1-CG 3.74Å; L84-M97 HydrophobicContact CD1-SD 3.83Å; L84-W107 HydrophobicContact CB-CE3 4.49Å; L84-W107 HydrophobicContact CB-CH2 4.36Å; L84-W107 HydrophobicContact CB-CZ3 4.03Å; L84-W107 HydrophobicContact CD1-CZ3 4.45Å
85Q76.6Confident73.1Confident85 Ų8552.7 Ų52.740%0.39727%0.274SS..Hα-helixtrans-60.5-48.7169.7-175.8-179.515.700111.1A81 R82 F87 S88 H89 W107 G111A81-Q85 WeakPolarHBondContact O-CB 3.31Å; A81-Q85 PolarHBondContact O-N 2.85Å; R82-Q85 PolarHBondContact O-N 3.25Å; Q85-F87 VanDerWaalsContact C-N 3.27Å; Q85-F87 PolarHBondContact O-N 3.32Å; Q85-S88 PolarHBondContact O-N 3.48Å; Q85-H89 WeakPolarHBondContact O-CB 2.92Å; Q85-H89 PolarHBondContact O-N 2.85Å; Q85-H89 VanDerWaalsContact O-N 3.08Å; Q85-W107 HydrophobicContact CB-CG 4.49Å; Q85-G111 VanDerWaalsContact CG-O 3.23Å; Q85-G111 WeakPolarHBondContact CG-O 3.21Å; Q85-G111 PolarHBondContact NE2-O 2.86Å
86F74Confident74.2Confident85 Ų8549.1 Ų49.137%0.37325%0.247SC..Hα-helixtrans-61.1-38.3175.9-176.7-95.3000111.6R82 R83 H89 Q90R82-F86 WeakPolarHBondContact O-CB 3.42Å; R82-F86 PolarHBondContact O-N 3.3Å; R83-F86 PolarHBondContact O-N 2.7Å; F86-H89 PolarHBondContact O-N 3.2Å; F86-Q90 HydrophobicContact CE1-CB 4.31Å; F86-Q90 VanDerWaalsContact CE1-OE1 3.3Å; F86-Q90 VanDerWaalsContact O-CB 3.23Å; F86-Q90 WeakPolarHBondContact O-CB 3.36Å; F86-Q90 PolarHBondContact O-N 3.34Å
87F76.4Confident74.7Confident4 Ų445.2 Ų45.22%0.01823%0.226CC..Hα-helixtrans-64.2-47.8175.6-177.5-93.2000112.7P54 M57 M59 F66 R83 L84 Q85 H89 Q90 Y91 I93 V95P54-F87 HydrophobicContact CB-CD2 3.25Å; P54-F87 HydrophobicContact CB-CE2 3.22Å; P54-F87 HydrophobicContact CB-CG 4.33Å; P54-F87 HydrophobicContact CB-CZ 4.29Å; P54-F87 HydrophobicContact CG-CD2 4.24Å; P54-F87 HydrophobicContact CG-CE2 4.48Å; M57-F87 HydrophobicContact CE-CE2 3.84Å; M57-F87 HydrophobicContact CE-CZ 3.96Å; M59-F87 HydrophobicContact SD-CE1 4Å; M59-F87 HydrophobicContact SD-CE2 4.08Å; M59-F87 HydrophobicContact SD-CZ 3.31Å; M59-F87 WeakPolarHBondContact SD-CZ 3.26Å; F66-F87 HydrophobicContact CB-CD1 4.47Å; F66-F87 HydrophobicContact CB-CE1 3.75Å; F66-F87 AromaticContact CD1-CD1 3.74Å; F66-F87 HydrophobicContact CD1-CD1 3.74Å; F66-F87 AromaticContact CD1-CE1 3.45Å; F66-F87 HydrophobicContact CD1-CE1 3.45Å; F66-F87 VanDerWaalsContact CD1-CE1 3.45Å; F66-F87 HydrophobicContact CD1-CZ 4.28Å; F66-F87 AromaticContact CD2-CE1 3.96Å; F66-F87 HydrophobicContact CD2-CE1 3.96Å; F66-F87 HydrophobicContact CD2-CZ 4.22Å; F66-F87 HydrophobicContact CE1-CD1 4.18Å; F66-F87 AromaticContact CE1-CE1 3.96Å; F66-F87 HydrophobicContact CE1-CE1 3.96Å; F66-F87 HydrophobicContact CE1-CZ 4.43Å; F66-F87 HydrophobicContact CE2-CE1 4.39Å; F66-F87 HydrophobicContact CE2-CZ 4.36Å; F66-F87 HydrophobicContact CG-CD1 4.18Å; F66-F87 AromaticContact CG-CE1 3.44Å; F66-F87 HydrophobicContact CG-CE1 3.44Å; F66-F87 VanDerWaalsContact CG-CE1 3.44Å; F66-F87 HydrophobicContact CG-CZ 4.15Å; F66-F87 HydrophobicContact CZ-CE1 4.39Å; F66-F87 HydrophobicContact CZ-CZ 4.46Å; R83-F87 WeakPolarHBondContact O-CB 3.19Å; R83-F87 PolarHBondContact O-N 3.43Å; L84-F87 WeakPolarHBondContact O-CB 3.4Å; L84-F87 PolarHBondContact O-N 3.19Å; Q85-F87 VanDerWaalsContact C-N 3.27Å; Q85-F87 PolarHBondContact O-N 3.32Å; F87-H89 PolarHBondContact O-N 2.87Å; F87-Q90 PolarHBondContact O-N 3.2Å; F87-Y91 HydrophobicContact CD1-CD2 4.28Å; F87-Y91 AromaticContact CD2-CD2 3.34Å; F87-Y91 HydrophobicContact CD2-CD2 3.34Å; F87-Y91 AromaticContact CD2-CE2 3.3Å; F87-Y91 HydrophobicContact CD2-CE2 3.3Å; F87-Y91 HydrophobicContact CE1-CD2 4.23Å; F87-Y91 AromaticContact CE2-CD2 3.3Å; F87-Y91 HydrophobicContact CE2-CD2 3.3Å; F87-Y91 AromaticContact CE2-CE2 3.19Å; F87-Y91 HydrophobicContact CE2-CE2 3.19Å; F87-Y91 HydrophobicContact CE2-CG 4.27Å; F87-Y91 AromaticContact CG-CD2 3.9Å; F87-Y91 HydrophobicContact CG-CD2 3.9Å; F87-Y91 HydrophobicContact CG-CE2 4.27Å; F87-Y91 AromaticContact CZ-CD2 3.82Å; F87-Y91 HydrophobicContact CZ-CD2 3.82Å; F87-Y91 HydrophobicContact CZ-CE2 4.09Å; F87-Y91 HydrophobicContact CZ-CG 4.44Å; F87-Y91 WeakPolarHBondContact O-CD2 3.31Å; F87-Y91 PolarHBondContact O-N 3.46Å; F87-I93 HydrophobicContact CD1-CG2 4.24Å; F87-I93 HydrophobicContact CE1-CG2 4.02Å; F87-V95 HydrophobicContact CD1-CG2 3.67Å; F87-V95 HydrophobicContact CE1-CG2 4.34Å
88S76.5Confident75.1Confident0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-53.9-44.5176.6127.70000110L84 Q85 S92 I93 V95 D108 G111L84-S88 WeakPolarHBondContact O-CB 3.47Å; L84-S88 PolarHBondContact O-N 2.89Å; Q85-S88 PolarHBondContact O-N 3.48Å; S88-S92 CarbonylContact O-C 3.57Å; S88-S92 VanDerWaalsContact O-CA 3.3Å; S88-S92 WeakPolarHBondContact O-CA 3.33Å; S88-S92 PolarHBondContact O-N 2.82Å; S88-I93 CarbonylContact C-O 3.02Å; S88-I93 WeakPolarHBondContact CA-O 3.34Å; S88-I93 WeakPolarHBondContact CB-O 3.21Å; S88-I93 PolarHBondContact O-N 2.97Å; S88-I93 PolarHBondContact OG-O 2.84Å; S88-V95 VanDerWaalsContact CA-CG2 3.45Å; S88-D108 PolarHBondContact OG-O 2.93Å; S88-G111 WeakPolarHBondContact OG-CA 3.46Å; S88-G111 PolarHBondContact OG-N 2.77Å; S88-G111 VanDerWaalsContact OG-N 3.1Å
89H67.3Low75.1Confident6 Ų640 Ų403%0.02820%0.204CC..Hα-helixtrans-68.3-50.7178.8-172.173.6000113.2Q85 F86 F87 Y91 S92 Y110 R136 D156 N164Q85-H89 WeakPolarHBondContact O-CB 2.92Å; Q85-H89 PolarHBondContact O-N 2.85Å; Q85-H89 VanDerWaalsContact O-N 3.08Å; F86-H89 PolarHBondContact O-N 3.2Å; F87-H89 PolarHBondContact O-N 2.87Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 2.87Å; H89-S92 PolarHBondContact O-N 2.74Å; H89-Y110 PolarHBondContact ND1-O 3.02Å; H89-R136 PolarHBondContact CE1-NH2 3.34Å; H89-R136 PolarHBondContact NE2-NH2 2.9Å; H89-D156 IonicContact CE1-OD2 3.82Å; H89-D156 PolarHBondContact CE1-OD2 2.9Å; H89-D156 IonicContact ND1-OD2 2.89Å; H89-D156 IonicContact NE2-OD2 3.48Å; H89-D156 PolarHBondContact NE2-OD2 3.15Å; H89-N164 VanDerWaalsContact CD2-CG 3.43Å; H89-N164 PolarHBondContact CD2-ND2 3.39Å; H89-N164 PolarHBondContact CE1-ND2 2.98Å; H89-N164 PolarHBondContact ND1-ND2 3.22Å; H89-N164 WeakPolarHBondContact NE2-CB 3.11Å; H89-N164 PolarHBondContact NE2-ND2 3.01Å
90Q71.3Confident74.6Confident33 Ų3341.5 Ų41.515%0.15422%0.217CC..Hα-helixtrans-57.2-40.7-178.7178.9-176.7-13.100111.9F86 F87F86-Q90 HydrophobicContact CE1-CB 4.31Å; F86-Q90 VanDerWaalsContact CE1-OE1 3.3Å; F86-Q90 VanDerWaalsContact O-CB 3.23Å; F86-Q90 WeakPolarHBondContact O-CB 3.36Å; F86-Q90 PolarHBondContact O-N 3.34Å; F87-Q90 PolarHBondContact O-N 3.2Å
91Y73Confident74Confident43 Ų4347.2 Ų47.217%0.16924%0.235CC..THydrogen-bonded Turntrans-101.98-176.5-64.9-81.1000113.1P54 M59 F87 H89 I93P54-Y91 PolarHBondContact O-OH 2.92Å; M59-Y91 HydrophobicContact CB-CD1 4.3Å; M59-Y91 HydrophobicContact CB-CE1 4.49Å; M59-Y91 HydrophobicContact CE-CD1 4.44Å; M59-Y91 HydrophobicContact CE-CG 4.33Å; M59-Y91 HydrophobicContact CG-CD1 4.46Å; M59-Y91 HydrophobicContact SD-CD1 3.95Å; M59-Y91 HydrophobicContact SD-CD2 4.35Å; M59-Y91 HydrophobicContact SD-CE1 4.39Å; M59-Y91 HydrophobicContact SD-CG 3.91Å; F87-Y91 HydrophobicContact CD1-CD2 4.28Å; F87-Y91 AromaticContact CD2-CD2 3.34Å; F87-Y91 HydrophobicContact CD2-CD2 3.34Å; F87-Y91 AromaticContact CD2-CE2 3.3Å; F87-Y91 HydrophobicContact CD2-CE2 3.3Å; F87-Y91 HydrophobicContact CE1-CD2 4.23Å; F87-Y91 AromaticContact CE2-CD2 3.3Å; F87-Y91 HydrophobicContact CE2-CD2 3.3Å; F87-Y91 AromaticContact CE2-CE2 3.19Å; F87-Y91 HydrophobicContact CE2-CE2 3.19Å; F87-Y91 HydrophobicContact CE2-CG 4.27Å; F87-Y91 AromaticContact CG-CD2 3.9Å; F87-Y91 HydrophobicContact CG-CD2 3.9Å; F87-Y91 HydrophobicContact CG-CE2 4.27Å; F87-Y91 AromaticContact CZ-CD2 3.82Å; F87-Y91 HydrophobicContact CZ-CD2 3.82Å; F87-Y91 HydrophobicContact CZ-CE2 4.09Å; F87-Y91 HydrophobicContact CZ-CG 4.44Å; F87-Y91 WeakPolarHBondContact O-CD2 3.31Å; F87-Y91 PolarHBondContact O-N 3.46Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 2.87Å; Y91-I93 PolarHBondContact O-N 2.63Å
92S71.8Confident73.4Confident47 Ų4747.4 Ų47.433%0.32924%0.239SC..THydrogen-bonded Turntrans45.748-176.9-62.30000112.7S88 H89 E109 Y205S88-S92 CarbonylContact O-C 3.57Å; S88-S92 VanDerWaalsContact O-CA 3.3Å; S88-S92 WeakPolarHBondContact O-CA 3.33Å; S88-S92 PolarHBondContact O-N 2.82Å; H89-S92 PolarHBondContact O-N 2.74Å; S92-E109 WeakPolarHBondContact CA-O 3.47Å; S92-E109 WeakPolarHBondContact O-CB 3.41Å; S92-Y205 PolarHBondContact OG-O 2.99Å
93I75Confident73.5Confident2 Ų240.3 Ų40.31%0.0121%0.214CC..  trans-130.7140.9-172.3-165.7172.1000110.6M59 C63 S64 F66 F87 S88 Y91 V95M59-I93 HydrophobicContact CE-CD1 3.56Å; M59-I93 HydrophobicContact CE-CG2 4.32Å; C63-I93 HydrophobicContact CB-CD1 3.64Å; S64-I93 WeakPolarHBondContact O-CG1 3.24Å; F66-I93 HydrophobicContact CB-CD1 4.08Å; F66-I93 HydrophobicContact CB-CG2 4.42Å; F87-I93 HydrophobicContact CD1-CG2 4.24Å; F87-I93 HydrophobicContact CE1-CG2 4.02Å; S88-I93 CarbonylContact C-O 3.02Å; S88-I93 WeakPolarHBondContact CA-O 3.34Å; S88-I93 WeakPolarHBondContact CB-O 3.21Å; S88-I93 PolarHBondContact O-N 2.97Å; S88-I93 PolarHBondContact OG-O 2.84Å; Y91-I93 PolarHBondContact O-N 2.63Å; I93-V95 HydrophobicContact CG2-CG2 4.16Å; I93-V95 PolarHBondContact O-N 3.46Å
94A80.6Confident73.6Confident18 Ų1837.3 Ų37.315%0.14921%0.208CC..EExtended strand (participates in β ladder)trans-64.4139.3171.300000109.7S64 L65 F66 W107S64-A94 PolarHBondContact O-N 2.82Å; L65-A94 CarbonylContact C-O 3.51Å; L65-A94 WeakPolarHBondContact CA-O 3.4Å; L65-A94 HydrophobicContact CD1-CB 3.79Å; F66-A94 PolarHBondContact N-O 3.39Å; A94-W107 CarbonylContact C-O 3.57Å; A94-W107 VanDerWaalsContact CA-O 3.26Å; A94-W107 WeakPolarHBondContact CA-O 3.4Å
95V81.8Confident73.8Confident0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-124.8122.1-178.6173.40000110.7F66 L84 F87 S88 I93 L106 W107F66-V95 HydrophobicContact CB-CG2 4.15Å; F66-V95 HydrophobicContact CD1-CG1 3.95Å; F66-V95 HydrophobicContact CD1-CG2 4.05Å; F66-V95 CarbonylContact O-C 3.54Å; F66-V95 VanDerWaalsContact O-CA 3.32Å; F66-V95 WeakPolarHBondContact O-CA 3.41Å; L84-V95 HydrophobicContact CB-CG1 3.84Å; L84-V95 HydrophobicContact CD2-CG1 4Å; L84-V95 HydrophobicContact CG-CG1 4.35Å; F87-V95 HydrophobicContact CD1-CG2 3.67Å; F87-V95 HydrophobicContact CE1-CG2 4.34Å; S88-V95 VanDerWaalsContact CA-CG2 3.45Å; I93-V95 HydrophobicContact CG2-CG2 4.16Å; I93-V95 PolarHBondContact O-N 3.46Å; V95-L106 CarbonylContact O-C 3.52Å; V95-L106 VanDerWaalsContact O-CA 3.3Å; V95-L106 WeakPolarHBondContact O-CA 3.42Å; V95-L106 WeakPolarHBondContact O-CD1 3.41Å; V95-W107 HydrophobicContact CB-CE3 4.25Å; V95-W107 HydrophobicContact CG1-CE3 4.09Å; V95-W107 HydrophobicContact CG1-CZ3 4.39Å; V95-W107 PolarHBondContact N-O 3.45Å; V95-W107 PolarHBondContact O-N 2.9Å
96L83.3Confident74.2Confident61 Ų6134.6 Ų34.632%0.31920%0.197SC..EExtended strand (participates in β ladder)trans-105.9113.2174.4178.865.8000110.8L65 F66 T67 T68 L106L65-L96 HydrophobicContact CD1-CB 4.21Å; F66-L96 PolarHBondContact O-N 2.78Å; T67-L96 CarbonylContact C-O 3.48Å; T67-L96 WeakPolarHBondContact CA-O 3.18Å; T67-L96 PolarHBondContact OG1-O 3.24Å; T67-L96 VanDerWaalsContact OG1-O 3.05Å; T68-L96 PolarHBondContact N-O 2.84Å; L96-L106 HydrophobicContact CB-CD1 4.05Å; L96-L106 HydrophobicContact CD1-CB 4.19Å; L96-L106 HydrophobicContact CD1-CD1 4.33Å
97M80.4Confident74.5Confident6 Ų631.2 Ų31.23%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-93.8117.2166.5-175.8-17780.200109.7Q70 L77 L84 S104 A105 W107Q70-M97 HydrophobicContact CG-CG 4.41Å; L77-M97 HydrophobicContact CD1-CE 3.73Å; L77-M97 HydrophobicContact CD1-SD 4.15Å; L84-M97 HydrophobicContact CD1-CB 3.73Å; L84-M97 HydrophobicContact CD1-CG 3.74Å; L84-M97 HydrophobicContact CD1-SD 3.83Å; M97-S104 CarbonylContact O-C 3.49Å; M97-S104 WeakPolarHBondContact O-CA 3.17Å; M97-S104 VanDerWaalsContact O-CB 3.26Å; M97-S104 WeakPolarHBondContact O-CB 3.4Å; M97-A105 HydrophobicContact CE-CB 4.01Å; M97-A105 PolarHBondContact N-O 3.48Å; M97-A105 PolarHBondContact O-N 3.02Å; M97-W107 HydrophobicContact CB-CH2 4.12Å; M97-W107 HydrophobicContact CB-CZ3 3.69Å; M97-W107 HydrophobicContact CE-CH2 4.3Å; M97-W107 HydrophobicContact SD-CH2 4.17Å
98A74.7Confident74.6Confident41 Ų4131.6 Ų31.634%0.33918%0.184SC..EExtended strand (participates in β ladder)trans-105.8132.9172.600000110.5T68 G69 Q70T68-A98 PolarHBondContact O-N 3.03Å; G69-A98 WeakPolarHBondContact CA-O 3.28Å; Q70-A98 PolarHBondContact N-O 3.08Å; Q70-A98 VanDerWaalsContact N-O 3.08Å
99N68.1Low74.3Confident27 Ų2735.1 Ų35.114%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-126.9133.5178.3-169.1-24000112.2R101 G102 N103 S104N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 3.34Å; N99-R101 PolarHBondContact OD1-N 2.89Å; N99-G102 PolarHBondContact O-N 2.95Å; N99-N103 HydrophobicContact CB-CB 4.49Å; N99-N103 WeakPolarHBondContact CB-O 3.38Å; N99-S104 PolarHBondContact N-OG 3.41Å
100A57.4Low74.3Confident74 Ų7438.2 Ų38.261%0.61221%0.213SC*.THydrogen-bonded Turntrans-69.8-14.5176.300000114.9L72L72-A100 HydrophobicContact CD2-CB 3.52Å; L72-A100 HydrophobicContact CG-CB 3.97Å
101R61.2Low74.2Confident146 Ų14636.9 Ų36.955%0.55121%0.207SC*.THydrogen-bonded Turntrans-96.514.3173.8-65-161173.8171.5-1.3114.4L72 N99 H119L72-R101 HydrophobicContact CD2-CG 3.44Å; L72-R101 VanDerWaalsContact CD2-CG 3.44Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 3.34Å; N99-R101 PolarHBondContact OD1-N 2.89Å; R101-H119 PolarHBondContact O-CE1 3.08Å; R101-H119 VanDerWaalsContact O-CE1 3.23Å; R101-H119 PolarHBondContact O-ND1 3.39Å
102G64.1Low74.2Confident27 Ų2738.5 Ų38.528%0.27821%0.213SC..SBendtrans95.48.3169.900000115.8N99 A117 D118 H119N99-G102 PolarHBondContact O-N 2.95Å; G102-A117 CarbonylContact O-C 3.5Å; G102-D118 CarbonylContact O-C 3.54Å; G102-D118 WeakPolarHBondContact O-CA 3.46Å; G102-H119 PolarHBondContact O-N 3.4Å
103N72.7Confident74.4Confident27 Ų2738.6 Ų38.614%0.14421%0.21CC..EExtended strand (participates in β ladder)trans-113.991.7-179.9-65.1-13.7000112L77 N99 A117 D118L77-N103 HydrophobicContact CD2-CB 3.87Å; L77-N103 WeakPolarHBondContact CD2-ND2 3.35Å; N99-N103 HydrophobicContact CB-CB 4.49Å; N99-N103 WeakPolarHBondContact CB-O 3.38Å; N103-A117 CarbonylContact C-O 3.51Å; N103-A117 WeakPolarHBondContact CA-O 3.28Å; N103-D118 WeakPolarHBondContact OD1-CA 3.22Å
104S79.8Confident74.6Confident35 Ų3539.9 Ų39.925%0.24522%0.216CC..EExtended strand (participates in β ladder)trans-107.9151.9176.8-55.50000111.2M97 N99 R116 A117M97-S104 CarbonylContact O-C 3.49Å; M97-S104 WeakPolarHBondContact O-CA 3.17Å; M97-S104 VanDerWaalsContact O-CB 3.26Å; M97-S104 WeakPolarHBondContact O-CB 3.4Å; N99-S104 PolarHBondContact N-OG 3.41Å; S104-R116 CarbonylContact O-C 3.41Å; S104-R116 WeakPolarHBondContact O-CA 3.41Å; S104-A117 PolarHBondContact N-O 2.88Å; S104-A117 PolarHBondContact O-N 3.35Å
105A83.1Confident74.5Confident5 Ų541.1 Ų41.14%0.04122%0.222CC..EExtended strand (participates in β ladder)trans-144.3144.6177.300000111.2M97 W107 L113 V115M97-A105 HydrophobicContact CE-CB 4.01Å; M97-A105 PolarHBondContact N-O 3.48Å; M97-A105 PolarHBondContact O-N 3.02Å; A105-W107 HydrophobicContact CB-CE3 4.3Å; A105-W107 HydrophobicContact CB-CH2 3.32Å; A105-W107 HydrophobicContact CB-CZ2 3.69Å; A105-W107 HydrophobicContact CB-CZ3 3.65Å; A105-L113 HydrophobicContact CB-CD1 3.78Å; A105-V115 CarbonylContact C-O 3.47Å; A105-V115 VanDerWaalsContact CA-O 3.25Å; A105-V115 WeakPolarHBondContact CA-O 3.15Å
106L85.1Confident74.4Confident40 Ų4046.1 Ų46.121%0.20924%0.241CC..EExtended strand (participates in β ladder)trans-122.6126.2173.3176.264.7000108.1L65 V95 L96 I114 V115L65-L106 HydrophobicContact CD1-CD1 4.16Å; V95-L106 CarbonylContact O-C 3.52Å; V95-L106 VanDerWaalsContact O-CA 3.3Å; V95-L106 WeakPolarHBondContact O-CA 3.42Å; V95-L106 WeakPolarHBondContact O-CD1 3.41Å; L96-L106 HydrophobicContact CB-CD1 4.05Å; L96-L106 HydrophobicContact CD1-CB 4.19Å; L96-L106 HydrophobicContact CD1-CD1 4.33Å; L106-I114 HydrophobicContact CD2-CB 4.39Å; L106-I114 HydrophobicContact CD2-CD1 4.06Å; L106-I114 HydrophobicContact CG-CB 4.38Å; L106-I114 HydrophobicContact CG-CD1 4.04Å; L106-I114 HydrophobicContact CG-CG1 4.47Å; L106-I114 PolarHBondContact O-N 2.68Å; L106-V115 HydrophobicContact CB-CB 4.09Å; L106-V115 HydrophobicContact CD2-CG2 4.29Å; L106-V115 PolarHBondContact N-O 3.41Å; L106-V115 PolarHBondContact O-N 2.81Å
107W82Confident74.1Confident13 Ų1344.2 Ų44.25%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-107.1146.1168.8-59.7-97.4000110A81 L84 Q85 A94 V95 M97 A105 R112 L113A81-W107 HydrophobicContact CB-CH2 4.06Å; A81-W107 HydrophobicContact CB-CZ2 3.97Å; L84-W107 HydrophobicContact CB-CE3 4.49Å; L84-W107 HydrophobicContact CB-CH2 4.36Å; L84-W107 HydrophobicContact CB-CZ3 4.03Å; L84-W107 HydrophobicContact CD1-CZ3 4.45Å; Q85-W107 HydrophobicContact CB-CG 4.49Å; A94-W107 CarbonylContact C-O 3.57Å; A94-W107 VanDerWaalsContact CA-O 3.26Å; A94-W107 WeakPolarHBondContact CA-O 3.4Å; V95-W107 HydrophobicContact CB-CE3 4.25Å; V95-W107 HydrophobicContact CG1-CE3 4.09Å; V95-W107 HydrophobicContact CG1-CZ3 4.39Å; V95-W107 PolarHBondContact N-O 3.45Å; V95-W107 PolarHBondContact O-N 2.9Å; M97-W107 HydrophobicContact CB-CH2 4.12Å; M97-W107 HydrophobicContact CB-CZ3 3.69Å; M97-W107 HydrophobicContact CE-CH2 4.3Å; M97-W107 HydrophobicContact SD-CH2 4.17Å; A105-W107 HydrophobicContact CB-CE3 4.3Å; A105-W107 HydrophobicContact CB-CH2 3.32Å; A105-W107 HydrophobicContact CB-CZ2 3.69Å; A105-W107 HydrophobicContact CB-CZ3 3.65Å; W107-R112 CarbonylContact C-O 3.26Å; W107-R112 WeakPolarHBondContact CA-O 3.29Å; W107-L113 HydrophobicContact CZ2-CD1 4.41Å
108D78.1Confident73.7Confident13 Ų1346 Ų467%0.0724%0.244CC..  trans-74.9178.9170.565.610.9000111.5S88 Y110 G111 R112 I114S88-D108 PolarHBondContact OG-O 2.93Å; D108-Y110 PolarHBondContact O-N 3.47Å; D108-Y110 VanDerWaalsContact O-N 3.07Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.21Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.27Å; D108-Y110 PolarHBondContact OD1-N 3.21Å; D108-G111 PolarHBondContact O-N 2.78Å; D108-G111 VanDerWaalsContact O-N 3.12Å; D108-G111 PolarHBondContact OD1-N 2.9Å; D108-G111 VanDerWaalsContact OD1-N 3.16Å; D108-R112 PolarHBondContact N-O 3.38Å; D108-R112 WeakPolarHBondContact OD1-CB 3.29Å; D108-R112 PolarHBondContact OD1-N 2.83Å; D108-R112 IonicContact OD1-NE 3.42Å; D108-R112 IonicContact OD2-CZ 3.92Å; D108-R112 IonicContact OD2-NE 3.54Å; D108-R112 PolarHBondContact OD2-NE 2.8Å; D108-R112 IonicContact OD2-NH2 3.5Å; D108-R112 PolarHBondContact OD2-NH2 3.19Å; D108-I114 HydrophobicContact CB-CD1 3.58Å; D108-I114 HydrophobicContact CB-CG1 3.85Å
109E70.5Confident73.6Confident73 Ų7351 Ų5134%0.34126%0.26SS..THydrogen-bonded Turntrans-59.1-13.5174.858.5-94.3-139.700114.3S92S92-E109 WeakPolarHBondContact CA-O 3.47Å; S92-E109 WeakPolarHBondContact O-CB 3.41Å
110Y67Low73.4Confident72 Ų7253.5 Ų53.528%0.28229%0.292SS..THydrogen-bonded Turntrans-98.3-1.9179.6-52.8-72.1000112.9H89 D108 R112 M134 G206H89-Y110 PolarHBondContact ND1-O 3.02Å; D108-Y110 PolarHBondContact O-N 3.47Å; D108-Y110 VanDerWaalsContact O-N 3.07Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.21Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.27Å; D108-Y110 PolarHBondContact OD1-N 3.21Å; Y110-R112 VanDerWaalsContact C-N 3.35Å; Y110-R112 VanDerWaalsContact CD2-NH2 3.3Å; Y110-M134 HydrophobicContact CD1-CE 3.83Å; Y110-M134 HydrophobicContact CE1-CE 4.18Å; Y110-G206 WeakPolarHBondContact CE1-O 3.46Å
111G68.8Low73.7Confident4 Ų454 Ų544%0.04129%0.291CS..SBendtrans80.214.9-174.200000113.5Q85 S88 D108Q85-G111 VanDerWaalsContact CG-O 3.23Å; Q85-G111 WeakPolarHBondContact CG-O 3.21Å; Q85-G111 PolarHBondContact NE2-O 2.86Å; S88-G111 WeakPolarHBondContact OG-CA 3.46Å; S88-G111 PolarHBondContact OG-N 2.77Å; S88-G111 VanDerWaalsContact OG-N 3.1Å; D108-G111 PolarHBondContact O-N 2.78Å; D108-G111 VanDerWaalsContact O-N 3.12Å; D108-G111 PolarHBondContact OD1-N 2.9Å; D108-G111 VanDerWaalsContact OD1-N 3.16Å
112R72.9Confident74.3Confident77 Ų7753.7 Ų53.729%0.29130%0.299SS..  trans-86.7129.1174.5-56.1178.1-62.6-170.21.5108.5W107 D108 Y110 I114W107-R112 CarbonylContact C-O 3.26Å; W107-R112 WeakPolarHBondContact CA-O 3.29Å; D108-R112 PolarHBondContact N-O 3.38Å; D108-R112 WeakPolarHBondContact OD1-CB 3.29Å; D108-R112 PolarHBondContact OD1-N 2.83Å; D108-R112 IonicContact OD1-NE 3.42Å; D108-R112 IonicContact OD2-CZ 3.92Å; D108-R112 IonicContact OD2-NE 3.54Å; D108-R112 PolarHBondContact OD2-NE 2.8Å; D108-R112 IonicContact OD2-NH2 3.5Å; D108-R112 PolarHBondContact OD2-NH2 3.19Å; Y110-R112 VanDerWaalsContact C-N 3.35Å; Y110-R112 VanDerWaalsContact CD2-NH2 3.3Å; R112-I114 PolarHBondContact O-N 2.89Å
113L76.1Confident74.2Confident49 Ų4955.9 Ų55.926%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-59.6129.5171.2-176.167.9000107.8A105 W107 V115 R116 V125A105-L113 HydrophobicContact CB-CD1 3.78Å; W107-L113 HydrophobicContact CZ2-CD1 4.41Å; L113-V115 WeakPolarHBondContact CD1-O 3.27Å; L113-R116 HydrophobicContact CD1-CB 4.37Å; L113-R116 HydrophobicContact CD2-CB 4.17Å; L113-V125 CarbonylContact C-O 3.53Å; L113-V125 VanDerWaalsContact C-O 3.26Å; L113-V125 HydrophobicContact CD2-CG2 3.7Å; L113-V125 HydrophobicContact CG-CG2 3.97Å
114I78.2Confident73.9Confident30 Ų3061.2 Ų61.215%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-104.9-47.6175.4-45.7178.5000110.1L106 D108 R112 L124 V125L106-I114 HydrophobicContact CD2-CB 4.39Å; L106-I114 HydrophobicContact CD2-CD1 4.06Å; L106-I114 HydrophobicContact CG-CB 4.38Å; L106-I114 HydrophobicContact CG-CD1 4.04Å; L106-I114 HydrophobicContact CG-CG1 4.47Å; L106-I114 PolarHBondContact O-N 2.68Å; D108-I114 HydrophobicContact CB-CD1 3.58Å; D108-I114 HydrophobicContact CB-CG1 3.85Å; R112-I114 PolarHBondContact O-N 2.89Å; I114-L124 HydrophobicContact CG2-CD1 4.4Å; I114-L124 WeakPolarHBondContact O-CD1 3.48Å; I114-V125 CarbonylContact C-O 3.55Å; I114-V125 WeakPolarHBondContact CA-O 3.33Å; I114-V125 PolarHBondContact N-O 2.96Å; I114-V125 CarbonylContact O-C 3.53Å; I114-V125 PolarHBondContact O-N 2.79Å
115V79.2Confident72.9Confident44 Ų4462.1 Ų62.127%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-134.6134.3-176-176.90000107.9A105 L106 L113 L122 L124A105-V115 CarbonylContact C-O 3.47Å; A105-V115 VanDerWaalsContact CA-O 3.25Å; A105-V115 WeakPolarHBondContact CA-O 3.15Å; L106-V115 HydrophobicContact CB-CB 4.09Å; L106-V115 HydrophobicContact CD2-CG2 4.29Å; L106-V115 PolarHBondContact N-O 3.41Å; L106-V115 PolarHBondContact O-N 2.81Å; L113-V115 WeakPolarHBondContact CD1-O 3.27Å; V115-L122 HydrophobicContact CG1-CD2 4.35Å; V115-L124 HydrophobicContact CG2-CD1 3.75Å
116R80.6Confident71.1Confident104 Ų10464.2 Ų64.239%0.39236%0.358SS..EExtended strand (participates in β ladder)trans-125.9135.5164.2-160.617574-167.87109S104 L113 D118 L123S104-R116 CarbonylContact O-C 3.41Å; S104-R116 WeakPolarHBondContact O-CA 3.41Å; L113-R116 HydrophobicContact CD1-CB 4.37Å; L113-R116 HydrophobicContact CD2-CB 4.17Å; R116-D118 IonicContact CZ-OD2 3.8Å; R116-D118 IonicContact NE-OD1 2.79Å; R116-D118 IonicContact NE-OD2 3.42Å; R116-D118 PolarHBondContact NE-OD2 3.5Å; R116-D118 IonicContact NH2-OD2 2.93Å; R116-D118 PolarHBondContact NH2-OD2 2.91Å; R116-L123 HydrophobicContact CB-CB 4.41Å; R116-L123 PolarHBondContact N-O 2.84Å; R116-L123 PolarHBondContact O-N 3.23Å
117A75.3Confident69.2Low21 Ų2167.9 Ų67.917%0.17437%0.373CS..EExtended strand (participates in β ladder)trans-120.2114.8173.700000107G102 N103 S104 S121 L122G102-A117 CarbonylContact O-C 3.5Å; N103-A117 CarbonylContact C-O 3.51Å; N103-A117 WeakPolarHBondContact CA-O 3.28Å; S104-A117 PolarHBondContact N-O 2.88Å; S104-A117 PolarHBondContact O-N 3.35Å; A117-S121 CarbonylContact C-O 3.35Å; A117-S121 VanDerWaalsContact CA-O 3.3Å; A117-S121 WeakPolarHBondContact CA-O 3.46Å; A117-L122 HydrophobicContact CB-CD2 3.52Å
118D73.9Confident67.1Low45 Ų4576.6 Ų76.624%0.24141%0.411CS..EExtended strand (participates in β ladder)trans-122.5117178.3-56.2-46000109.6G102 N103 R116 G120 S121G102-D118 CarbonylContact O-C 3.54Å; G102-D118 WeakPolarHBondContact O-CA 3.46Å; N103-D118 WeakPolarHBondContact OD1-CA 3.22Å; R116-D118 IonicContact CZ-OD2 3.8Å; R116-D118 IonicContact NE-OD1 2.79Å; R116-D118 IonicContact NE-OD2 3.42Å; R116-D118 PolarHBondContact NE-OD2 3.5Å; R116-D118 IonicContact NH2-OD2 2.93Å; R116-D118 PolarHBondContact NH2-OD2 2.91Å; D118-G120 VanDerWaalsContact C-N 3.27Å; D118-G120 PolarHBondContact O-N 2.79Å; D118-G120 VanDerWaalsContact O-N 3.12Å; D118-S121 PolarHBondContact N-O 3.17Å; D118-S121 WeakPolarHBondContact O-CA 3.41Å; D118-S121 VanDerWaalsContact O-CB 3.29Å; D118-S121 WeakPolarHBondContact O-CB 3.3Å; D118-S121 PolarHBondContact O-N 3.11Å
119H71.1Confident65.2Low146 Ų14679.2 Ų79.268%0.67644%0.442SS*.THydrogen-bonded Turntrans47.644.3174.6-62.1-72.2000114.4R101 G102 S121R101-H119 PolarHBondContact O-CE1 3.08Å; R101-H119 VanDerWaalsContact O-CE1 3.23Å; R101-H119 PolarHBondContact O-ND1 3.39Å; G102-H119 PolarHBondContact O-N 3.4Å; H119-S121 VanDerWaalsContact C-N 3.28Å; H119-S121 PolarHBondContact O-N 2.98Å
120G64Low63.6Low79 Ų7980.7 Ų80.781%0.81445%0.451SS*.THydrogen-bonded Turntrans83.9-4.9-179.400000114.8D118D118-G120 VanDerWaalsContact C-N 3.27Å; D118-G120 PolarHBondContact O-N 2.79Å; D118-G120 VanDerWaalsContact O-N 3.12Å
121S64.6Low62.8Low85 Ų8585.8 Ų85.859%0.59448%0.477SS*.EExtended strand (participates in β ladder)trans-91126170.7-580000109.9A117 D118 H119A117-S121 CarbonylContact C-O 3.35Å; A117-S121 VanDerWaalsContact CA-O 3.3Å; A117-S121 WeakPolarHBondContact CA-O 3.46Å; D118-S121 PolarHBondContact N-O 3.17Å; D118-S121 WeakPolarHBondContact O-CA 3.41Å; D118-S121 VanDerWaalsContact O-CB 3.29Å; D118-S121 WeakPolarHBondContact O-CB 3.3Å; D118-S121 PolarHBondContact O-N 3.11Å; H119-S121 VanDerWaalsContact C-N 3.28Å; H119-S121 PolarHBondContact O-N 2.98Å
122L73.3Confident62.3Low138 Ų13890.3 Ų90.372%0.72350%0.497SS*.EExtended strand (participates in β ladder)trans-100.6124.9174.5-75.8164000109.8V115 A117V115-L122 HydrophobicContact CG1-CD2 4.35Å; A117-L122 HydrophobicContact CB-CD2 3.52Å
123L61.8Low62.1Low74 Ų7488.5 Ų88.539%0.38750%0.499SS..EExtended strand (participates in β ladder)trans-112.5103.2169.7-174.173.2000107.8R116 V125R116-L123 HydrophobicContact CB-CB 4.41Å; R116-L123 PolarHBondContact N-O 2.84Å; R116-L123 PolarHBondContact O-N 3.23Å; L123-V125 HydrophobicContact CD1-CG1 4.29Å; L123-V125 HydrophobicContact CD2-CB 4.35Å; L123-V125 HydrophobicContact CD2-CG1 3.79Å; L123-V125 HydrophobicContact CD2-CG2 3.65Å; L123-V125 HydrophobicContact CG-CB 4.32Å; L123-V125 HydrophobicContact CG-CG1 3.87Å; L123-V125 HydrophobicContact CG-CG2 3.76Å; L123-V125 PolarHBondContact O-N 3.43Å
124L67.5Low62.3Low138 Ų13887 Ų8772%0.72349%0.491SS*.EExtended strand (participates in β ladder)trans-78.6107.6162.6-175.572.4000106.6I114 V115I114-L124 HydrophobicContact CG2-CD1 4.4Å; I114-L124 WeakPolarHBondContact O-CD1 3.48Å; V115-L124 HydrophobicContact CG2-CD1 3.75Å
125V56.8Low63Low54 Ų5485.7 Ų85.733%0.32748%0.484SS..  trans-124.6119.8178-106.10000105.5L113 I114 L123L113-V125 CarbonylContact C-O 3.53Å; L113-V125 VanDerWaalsContact C-O 3.26Å; L113-V125 HydrophobicContact CD2-CG2 3.7Å; L113-V125 HydrophobicContact CG-CG2 3.97Å; I114-V125 CarbonylContact C-O 3.55Å; I114-V125 WeakPolarHBondContact CA-O 3.33Å; I114-V125 PolarHBondContact N-O 2.96Å; I114-V125 CarbonylContact O-C 3.53Å; I114-V125 PolarHBondContact O-N 2.79Å; L123-V125 HydrophobicContact CD1-CG1 4.29Å; L123-V125 HydrophobicContact CD2-CB 4.35Å; L123-V125 HydrophobicContact CD2-CG1 3.79Å; L123-V125 HydrophobicContact CD2-CG2 3.65Å; L123-V125 HydrophobicContact CG-CB 4.32Å; L123-V125 HydrophobicContact CG-CG1 3.87Å; L123-V125 HydrophobicContact CG-CG2 3.76Å; L123-V125 PolarHBondContact O-N 3.43Å
126G45.7Very low63.7Low50 Ų5083.7 Ų83.752%0.51547%0.472SS..SBendtrans156.8139.1-17600000109.7F128G126-F128 PolarHBondContact O-N 3.49Å
127F46.2Very low64.6Low116 Ų11678.8 Ų78.851%0.50945%0.453SS..  trans-90.586.4171.1-72.8-57.4000107.1G129 L130F127-G129 PolarHBondContact O-N 3.37Å; F127-L130 HydrophobicContact CB-CB 3.74Å; F127-L130 HydrophobicContact CD1-CB 3.56Å; F127-L130 HydrophobicContact CD1-CD1 3.41Å; F127-L130 VanDerWaalsContact CD1-CD1 3.41Å; F127-L130 HydrophobicContact CD1-CG 4.05Å; F127-L130 HydrophobicContact CE1-CB 4.39Å; F127-L130 HydrophobicContact CE1-CD1 3.82Å; F127-L130 HydrophobicContact CG-CB 3.84Å; F127-L130 HydrophobicContact CG-CD1 4.48Å
128F36.7Very low65.7Low197 Ų19777.8 Ų77.886%0.86445%0.445SS*.SBendtrans-70.790.4167.8-148.4-90.3000107G126G126-F128 PolarHBondContact O-N 3.49Å
129G39.5Very low66.8Low68 Ų6876.4 Ų76.470%0.70144%0.438SS*.SBendtrans88.119.1179.600000116.9F127F127-G129 PolarHBondContact O-N 3.37Å
130L36.9Very low68.1Low104 Ų10469.8 Ų69.855%0.54541%0.408SS..  trans-104.687.4166.5-67165000110.4F127 H132F127-L130 HydrophobicContact CB-CB 3.74Å; F127-L130 HydrophobicContact CD1-CB 3.56Å; F127-L130 HydrophobicContact CD1-CD1 3.41Å; F127-L130 VanDerWaalsContact CD1-CD1 3.41Å; F127-L130 HydrophobicContact CD1-CG 4.05Å; F127-L130 HydrophobicContact CE1-CB 4.39Å; F127-L130 HydrophobicContact CE1-CD1 3.82Å; F127-L130 HydrophobicContact CG-CB 3.84Å; F127-L130 HydrophobicContact CG-CD1 4.48Å; L130-H132 VanDerWaalsContact C-N 3.27Å; L130-H132 PolarHBondContact O-N 3.18Å
131E49.3Very low69.7Low178 Ų17867 Ų6783%0.83237%0.374SS*.  trans35.514.7137.9-59.6-169.2-178.100123.1A133E131-A133 PolarHBondContact O-N 3.13Å
132H57.8Low71.3Confident99 Ų9963.5 Ų63.546%0.45835%0.349SS..  trans-91.784.4166.5-62.2-39.6000109.4L130 M134 D159L130-H132 VanDerWaalsContact C-N 3.27Å; L130-H132 PolarHBondContact O-N 3.18Å; H132-M134 PolarHBondContact O-N 3.4Å; H132-D159 WeakPolarHBondContact CB-OD1 3.38Å; H132-D159 IonicContact CD2-OD1 2.75Å; H132-D159 PolarHBondContact CD2-OD1 3.14Å; H132-D159 IonicContact CG-OD1 3.34Å; H132-D159 VanDerWaalsContact CG-OD1 3.24Å
133A68.7Low72.4Confident40 Ų4057.1 Ų57.133%0.33132%0.316SS..  trans-54.1122.2175.900000109.8E131 L135 A291E131-A133 PolarHBondContact O-N 3.13Å; A133-L135 PolarHBondContact O-N 3.21Å; A133-A291 HydrophobicContact CB-CB 3.98Å
134M81.7Confident73.9Confident17 Ų1754.3 Ų54.38%0.08430%0.304CS..  trans-71.7119.3168.4174.5-89.8-69.500108Y110 H132 R136 D156 I158 G206 S207Y110-M134 HydrophobicContact CD1-CE 3.83Å; Y110-M134 HydrophobicContact CE1-CE 4.18Å; H132-M134 PolarHBondContact O-N 3.4Å; M134-R136 HydrophobicContact SD-CB 3.98Å; M134-D156 HydrophobicContact CG-CB 4.11Å; M134-D156 HydrophobicContact SD-CB 4.38Å; M134-I158 HydrophobicContact CB-CD1 4.42Å; M134-I158 HydrophobicContact CB-CG1 4.13Å; M134-I158 HydrophobicContact CG-CD1 3.99Å; M134-I158 HydrophobicContact CG-CG1 3.84Å; M134-G206 WeakPolarHBondContact CE-O 3.17Å; M134-S207 PolarHBondContact O-OG 3.4Å; M134-S207 PolarHBondContact SD-OG 3.48Å
135L93.3Very high74.9Confident3 Ų354.2 Ų54.22%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-101.2114.7177.6-61.9171.2000107.7A133 I137 D156 V157 W209 V211 I230 L280 M284 A291 M294A133-L135 PolarHBondContact O-N 3.21Å; L135-I137 WeakPolarHBondContact O-CD1 3.48Å; L135-D156 WeakPolarHBondContact O-CA 3.49Å; L135-V157 HydrophobicContact CB-CB 4.45Å; L135-V157 PolarHBondContact N-O 3.46Å; L135-V157 VanDerWaalsContact N-O 3.17Å; L135-V157 PolarHBondContact O-N 2.75Å; L135-W209 HydrophobicContact CD2-CB 3.53Å; L135-W209 HydrophobicContact CD2-CG 4Å; L135-V211 HydrophobicContact CB-CG2 3.95Å; L135-V211 HydrophobicContact CD2-CG2 4.25Å; L135-I230 HydrophobicContact CD2-CD1 3.97Å; L135-L280 HydrophobicContact CB-CD2 3.98Å; L135-L280 HydrophobicContact CD1-CD2 3.77Å; L135-L280 HydrophobicContact CD1-CG 4.33Å; L135-L280 HydrophobicContact CG-CD2 4.48Å; L135-M284 HydrophobicContact CD1-CE 3.97Å; L135-M284 HydrophobicContact CD1-SD 3.46Å; L135-M284 WeakPolarHBondContact CD1-SD 3.49Å; L135-A291 HydrophobicContact CD2-CB 3.89Å; L135-M294 HydrophobicContact CD1-CE 4.02Å
136R93.6Very high76.5Confident2 Ų258.7 Ų58.71%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-92.9110.6177.7176.1159.1-71.9170.4-0.7110.2H89 M134 I138 D156 Y204 Y205 W209 Y210 V211H89-R136 PolarHBondContact CE1-NH2 3.34Å; H89-R136 PolarHBondContact NE2-NH2 2.9Å; M134-R136 HydrophobicContact SD-CB 3.98Å; R136-I138 HydrophobicContact CG-CD1 3.89Å; R136-I138 HydrophobicContact CG-CG1 4.16Å; R136-D156 WeakPolarHBondContact CB-OD1 3.5Å; R136-D156 WeakPolarHBondContact CG-OD1 3.5Å; R136-D156 IonicContact CZ-OD1 3.24Å; R136-D156 IonicContact CZ-OD2 2.78Å; R136-D156 IonicContact NE-OD1 3.67Å; R136-D156 PolarHBondContact NE-OD1 3.05Å; R136-D156 IonicContact NE-OD2 3.95Å; R136-D156 IonicContact NH2-OD1 3.41Å; R136-D156 PolarHBondContact NH2-OD1 2.75Å; R136-D156 IonicContact NH2-OD2 3.48Å; R136-D156 PolarHBondContact NH2-OD2 3.12Å; R136-D156 VanDerWaalsContact NH2-OD2 3.11Å; R136-Y204 PolarHBondContact NH1-O 2.92Å; R136-Y205 PolarHBondContact NH1-O 3.2Å; R136-W209 PolarHBondContact N-O 3.44Å; R136-Y210 HydrophobicContact CB-CD1 4.2Å; R136-Y210 HydrophobicContact CB-CE1 4.36Å; R136-Y210 HydrophobicContact CG-CD1 4.2Å; R136-Y210 HydrophobicContact CG-CE1 4.26Å; R136-Y210 CarbonylContact O-C 3.47Å; R136-Y210 WeakPolarHBondContact O-CA 3.3Å; R136-V211 PolarHBondContact O-N 3.02Å
137I98.2Very high78.7Confident0 Ų056.5 Ų56.50%030%0.298CS..EExtended strand (participates in β ladder)trans-78.3129.4174.6-62.681000107.8L135 S154 V155 V157 V211 C273 T276 A277 L280L135-I137 WeakPolarHBondContact O-CD1 3.48Å; I137-S154 WeakPolarHBondContact O-CA 3.47Å; I137-S154 WeakPolarHBondContact O-CB 3.43Å; I137-V155 HydrophobicContact CB-CG2 3.96Å; I137-V155 WeakPolarHBondContact CB-O 3.48Å; I137-V155 HydrophobicContact CD1-CG2 4.22Å; I137-V155 WeakPolarHBondContact CD1-O 3.48Å; I137-V155 HydrophobicContact CG1-CG2 4.42Å; I137-V155 PolarHBondContact N-O 3.27Å; I137-V155 PolarHBondContact O-N 3.34Å; I137-V155 VanDerWaalsContact O-N 3.14Å; I137-V157 HydrophobicContact CD1-CB 4.02Å; I137-V157 HydrophobicContact CD1-CG2 3.49Å; I137-V157 VanDerWaalsContact CD1-CG2 3.49Å; I137-V211 CarbonylContact C-O 3.6Å; I137-V211 WeakPolarHBondContact CA-O 3.23Å; I137-V211 HydrophobicContact CG1-CB 4.21Å; I137-C273 HydrophobicContact CG2-CB 4.26Å; I137-T276 HydrophobicContact CG2-CG2 3.66Å; I137-A277 HydrophobicContact CD1-CB 3.82Å; I137-A277 HydrophobicContact CG1-CB 3.9Å; I137-L280 HydrophobicContact CD1-CD2 3.92Å; I137-L280 HydrophobicContact CG1-CD2 4.14Å
138I98.1Very high81Confident0 Ų051.2 Ų51.20%028%0.277CS..EExtended strand (participates in β ladder)trans-119.5143177.1-61.1-72.6000108.5R136 T140 A153 Y204 Y210 V211 A212 L222 W229R136-I138 HydrophobicContact CG-CD1 3.89Å; R136-I138 HydrophobicContact CG-CG1 4.16Å; I138-T140 HydrophobicContact CG2-CG2 4.46Å; I138-A153 WeakPolarHBondContact CA-O 3.5Å; I138-Y204 HydrophobicContact CD1-CD1 3.71Å; I138-Y204 HydrophobicContact CD1-CG 4.42Å; I138-Y210 HydrophobicContact CD1-CD1 4.36Å; I138-Y210 HydrophobicContact CG1-CD1 3.84Å; I138-V211 PolarHBondContact N-O 2.88Å; I138-A212 WeakPolarHBondContact O-CB 3.3Å; I138-L222 HydrophobicContact CG2-CD1 3.89Å; I138-W229 HydrophobicContact CB-CH2 4.3Å; I138-W229 HydrophobicContact CB-CZ3 4.36Å; I138-W229 HydrophobicContact CG2-CH2 4.28Å
139D98.2Very high83.9Confident16 Ų1642.3 Ų42.39%0.08624%0.238CC..EExtended strand (participates in β ladder)trans-141.7147.3166.5-164.671.9000109.5A153 A269 C273D139-A153 PolarHBondContact N-O 2.83Å; D139-A153 VanDerWaalsContact N-O 3.15Å; D139-A153 PolarHBondContact O-N 3.24Å; D139-A269 HydrophobicContact CB-CB 4.35Å; D139-A269 WeakPolarHBondContact OD2-CA 3.16Å; D139-C273 WeakPolarHBondContact CB-SG 3.45Å; D139-C273 PolarHBondContact N-SG 3.44Å
140T98Very high86.7Confident8 Ų839 Ų395%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-131.6133.1-179.655.80000111.6I138 E151 I152 D218 L222I138-T140 HydrophobicContact CG2-CG2 4.46Å; T140-E151 WeakPolarHBondContact CA-O 3.22Å; T140-I152 HydrophobicContact CG2-CB 4.39Å; T140-I152 HydrophobicContact CG2-CG1 4.16Å; T140-D218 PolarHBondContact N-OD1 3.02Å; T140-D218 PolarHBondContact OG1-OD1 3.48Å; T140-L222 HydrophobicContact CG2-CD1 3.91Å; T140-L222 HydrophobicContact CG2-CD2 3.81Å; T140-L222 HydrophobicContact CG2-CG 3.92Å
141E97.9Very high89.7Confident20 Ų2034.1 Ų34.19%0.09318%0.179CC..EExtended strand (participates in β ladder)trans-99.5139.6164.9-61.2-63.9170.200108.9V150 E151 H184 I186 H267 A269E141-V150 HydrophobicContact CB-CG2 3.82Å; E141-V150 VanDerWaalsContact O-CG2 3.29Å; E141-V150 WeakPolarHBondContact O-CG2 3.4Å; E141-V150 PolarHBondContact O-N 3.23Å; E141-E151 HydrophobicContact CB-CB 4.07Å; E141-E151 HydrophobicContact CG-CB 4.43Å; E141-E151 PolarHBondContact N-O 2.77Å; E141-E151 PolarHBondContact O-N 2.94Å; E141-H184 HydrophobicContact CB-CB 4.16Å; E141-H184 HydrophobicContact CG-CB 3.9Å; E141-H184 IonicContact OE2-CD2 2.67Å; E141-I186 HydrophobicContact CB-CD1 4.22Å; E141-H267 VanDerWaalsContact OE1-CA 3.25Å; E141-H267 WeakPolarHBondContact OE1-CA 3.12Å; E141-H267 VanDerWaalsContact OE1-O 3.06Å; E141-A269 HydrophobicContact CG-CB 4.22Å
142T97.7Very high92Very high12 Ų1225.7 Ų25.77%0.07414%0.139CC..EExtended strand (participates in β ladder)trans-135.4159.8-171.1570000112.1G144 G148 I149 A180 H184 F217 V221T142-G144 PolarHBondContact O-N 2.8Å; T142-G144 VanDerWaalsContact O-N 3.07Å; T142-G144 PolarHBondContact OG1-O 3.16Å; T142-G148 CarbonylContact C-O 3.41Å; T142-G148 WeakPolarHBondContact CA-O 3.34Å; T142-G148 WeakPolarHBondContact CB-O 3.42Å; T142-I149 HydrophobicContact CG2-CG1 4.16Å; T142-A180 WeakPolarHBondContact O-CB 3.29Å; T142-H184 PolarHBondContact O-NE2 3.45Å; T142-F217 HydrophobicContact CG2-CE1 3.97Å; T142-F217 HydrophobicContact CG2-CZ 3.99Å; T142-F217 WeakPolarHBondContact OG1-CZ 3.16Å; T142-V221 HydrophobicContact CG2-CB 4.45Å; T142-V221 HydrophobicContact CG2-CG2 4.16Å
143C96.8Very high93.9Very high4 Ų421 Ų213%0.02712%0.117CC..SBendtrans-58.2-20.4174.7-64.80000113.4G148 P172 R174 P175 S177 A180C143-G148 PolarHBondContact N-O 3.36Å; C143-G148 PolarHBondContact SG-O 3.17Å; C143-G148 VanDerWaalsContact SG-O 3.33Å; C143-P172 WeakPolarHBondContact SG-CB 3.46Å; C143-R174 HydrophobicContact CB-CG 3.73Å; C143-R174 PolarHBondContact SG-O 3.24Å; C143-P175 WeakPolarHBondContact CB-O 2.99Å; C143-S177 WeakPolarHBondContact O-CB 3.37Å; C143-S177 PolarHBondContact O-N 3.04Å; C143-S177 PolarHBondContact O-OG 3.2Å; C143-A180 VanDerWaalsContact O-CB 3.31Å; C143-A180 WeakPolarHBondContact O-CB 3.29Å
144G93.3Very high95.2Very high14 Ų1419 Ų1914%0.14410%0.102CC..SBendtrans168.3-171.9176.800000111.2T142 Q146 G147T142-G144 PolarHBondContact O-N 2.8Å; T142-G144 VanDerWaalsContact O-N 3.07Å; T142-G144 PolarHBondContact OG1-O 3.16Å; G144-Q146 PolarHBondContact O-N 3.3Å; G144-G147 PolarHBondContact O-N 3.2Å
145L89.6Confident95.9Very high136 Ų13618.2 Ų18.271%0.71210%0.098SC*.THydrogen-bonded Turntrans-63.3-18.3-174.9-64178.3000114.4G147 F217L145-G147 VanDerWaalsContact C-N 3.34Å; L145-F217 HydrophobicContact CD2-CE2 4.41Å
146Q88.7Confident95.8Very high149 Ų14918.1 Ų18.170%0.69610%0.097SC*.THydrogen-bonded Turntrans-86.30.1179.9-60.379.96.800113.5G144 R174G144-Q146 PolarHBondContact O-N 3.3Å; Q146-R174 PolarHBondContact O-NH1 3.03Å
147G92.5Very high95.8Very high3 Ų318.1 Ų18.13%0.03110%0.097CC..  trans101-153-178.700000113.4G144 L145G144-G147 PolarHBondContact O-N 3.2Å; L145-G147 VanDerWaalsContact C-N 3.34Å
148G95.3Very high95.1Very high6 Ų619.4 Ų19.46%0.06210%0.104CC..  trans78.387.9-166.300000110T142 C143 D173T142-G148 CarbonylContact C-O 3.41Å; T142-G148 WeakPolarHBondContact CA-O 3.34Å; T142-G148 WeakPolarHBondContact CB-O 3.42Å; C143-G148 PolarHBondContact N-O 3.36Å; C143-G148 PolarHBondContact SG-O 3.17Å; C143-G148 VanDerWaalsContact SG-O 3.33Å; G148-D173 WeakPolarHBondContact CA-OD1 3.02Å
149I97.9Very high94.3Very high9 Ų924.3 Ų24.35%0.04613%0.13CC..EExtended strand (participates in β ladder)trans-74.3131.6-174-65.2160.5000109.6T142 I152 V170 I197 V221 L222T142-I149 HydrophobicContact CG2-CG1 4.16Å; I149-I152 HydrophobicContact CG2-CB 4.43Å; I149-V170 HydrophobicContact CG2-CB 4.31Å; I149-V170 HydrophobicContact CG2-CG2 4.39Å; I149-I197 HydrophobicContact CD1-CD1 3.98Å; I149-I197 HydrophobicContact CD1-CG1 3.87Å; I149-I197 HydrophobicContact CG2-CD1 4.23Å; I149-V221 HydrophobicContact CD1-CG2 4.47Å; I149-V221 WeakPolarHBondContact CD1-O 3.14Å; I149-V221 HydrophobicContact CG1-CG2 4.37Å; I149-L222 HydrophobicContact CD1-CD2 3.49Å; I149-L222 VanDerWaalsContact CD1-CD2 3.49Å; I149-L222 HydrophobicContact CD1-CG 4.11Å
150V98.1Very high93.8Very high0 Ų025.7 Ų25.70%015%0.148CC..EExtended strand (participates in β ladder)trans-112.1-24.2175.1-63.80000112.5E141 L169 V170 P172 I176 I186 V191E141-V150 HydrophobicContact CB-CG2 3.82Å; E141-V150 VanDerWaalsContact O-CG2 3.29Å; E141-V150 WeakPolarHBondContact O-CG2 3.4Å; E141-V150 PolarHBondContact O-N 3.23Å; V150-L169 WeakPolarHBondContact O-CA 3.48Å; V150-V170 WeakPolarHBondContact CA-O 3.44Å; V150-V170 PolarHBondContact O-N 3.36Å; V150-P172 HydrophobicContact CG1-CB 3.97Å; V150-P172 HydrophobicContact CG1-CG 3.98Å; V150-I176 HydrophobicContact CG1-CD1 3.79Å; V150-I176 HydrophobicContact CG1-CG1 3.82Å; V150-I186 HydrophobicContact CB-CD1 4.47Å; V150-I186 HydrophobicContact CB-CG2 4.32Å; V150-I186 HydrophobicContact CG2-CB 4.44Å; V150-I186 HydrophobicContact CG2-CD1 3.78Å; V150-V191 HydrophobicContact CB-CG1 4.3Å
151E98.4Very high93.3Very high1 Ų132.4 Ų32.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-147.9137.7173-169.5175.3-143.900109.2T140 E141 S167 H168 L169 I186 R268 A269T140-E151 WeakPolarHBondContact CA-O 3.22Å; E141-E151 HydrophobicContact CB-CB 4.07Å; E141-E151 HydrophobicContact CG-CB 4.43Å; E141-E151 PolarHBondContact N-O 2.77Å; E141-E151 PolarHBondContact O-N 2.94Å; E151-S167 PolarHBondContact OE1-OG 3.12Å; E151-H168 WeakPolarHBondContact CA-O 3.38Å; E151-L169 HydrophobicContact CB-CD2 4.17Å; E151-L169 HydrophobicContact CG-CD2 4.24Å; E151-I186 HydrophobicContact CB-CD1 3.71Å; E151-R268 IonicContact OE1-CZ 3.61Å; E151-R268 IonicContact OE1-NE 3.19Å; E151-R268 PolarHBondContact OE1-NE 2.81Å; E151-R268 IonicContact OE1-NH2 2.73Å; E151-R268 PolarHBondContact OE1-NH2 3.27Å; E151-R268 IonicContact OE2-CZ 3.31Å; E151-R268 IonicContact OE2-NE 3.95Å; E151-R268 PolarHBondContact OE2-NE 2.94Å; E151-R268 IonicContact OE2-NH2 3.17Å; E151-A269 HydrophobicContact CB-CB 4.22Å; E151-A269 HydrophobicContact CG-CB 3.72Å; E151-A269 PolarHBondContact OE2-N 2.87Å
152I98.1Very high93Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-123.8138.8166.1-178.2176.4000107.9T140 I149 S167 H168 V170 I197 V200 I201 Y204 L222T140-I152 HydrophobicContact CG2-CB 4.39Å; T140-I152 HydrophobicContact CG2-CG1 4.16Å; I149-I152 HydrophobicContact CG2-CB 4.43Å; I152-S167 WeakPolarHBondContact O-CA 3.37Å; I152-H168 HydrophobicContact CG2-CB 4.26Å; I152-H168 PolarHBondContact N-O 3.46Å; I152-H168 PolarHBondContact O-N 3.45Å; I152-V170 HydrophobicContact CG2-CG2 3.94Å; I152-I197 HydrophobicContact CG2-CD1 4.25Å; I152-V200 HydrophobicContact CG2-CG1 3.84Å; I152-I201 HydrophobicContact CD1-CD1 3.64Å; I152-Y204 HydrophobicContact CD1-CD1 4.04Å; I152-Y204 HydrophobicContact CD1-CD2 3.77Å; I152-Y204 HydrophobicContact CD1-CE1 4.18Å; I152-Y204 HydrophobicContact CD1-CE2 3.95Å; I152-Y204 HydrophobicContact CD1-CG 3.82Å; I152-Y204 HydrophobicContact CG1-CD1 4.2Å; I152-Y204 HydrophobicContact CG1-CD2 4.41Å; I152-Y204 HydrophobicContact CG1-CE1 3.89Å; I152-Y204 HydrophobicContact CG1-CE2 4.14Å; I152-Y204 HydrophobicContact CG1-CG 4.44Å; I152-Y204 HydrophobicContact CG2-CD2 4.47Å; I152-Y204 HydrophobicContact CG2-CE2 3.68Å; I152-Y204 PolarHBondContact O-OH 2.85Å; I152-L222 HydrophobicContact CD1-CD2 3.56Å; I152-L222 HydrophobicContact CG1-CD2 4.42Å
153A98.1Very high92.5Very high0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-140.5161.6174.700000112.2I138 D139 M166 A269 L270 C273I138-A153 WeakPolarHBondContact CA-O 3.5Å; D139-A153 PolarHBondContact N-O 2.83Å; D139-A153 VanDerWaalsContact N-O 3.15Å; D139-A153 PolarHBondContact O-N 3.24Å; A153-M166 CarbonylContact C-O 3.58Å; A153-M166 WeakPolarHBondContact CA-O 3.37Å; A153-M166 VanDerWaalsContact CB-O 3.3Å; A153-M166 WeakPolarHBondContact CB-O 3.43Å; A153-A269 VanDerWaalsContact CB-C 3.43Å; A153-A269 HydrophobicContact CB-CB 3.53Å; A153-L270 VanDerWaalsContact CB-CA 3.42Å; A153-L270 HydrophobicContact CB-CB 3.72Å; A153-L270 HydrophobicContact CB-CD1 4.24Å; A153-C273 VanDerWaalsContact C-SG 3.54Å; A153-C273 PolarHBondContact O-SG 2.9Å; A153-C273 VanDerWaalsContact O-SG 3.4Å
154S96.9Very high91.8Very high0 Ų036.6 Ų36.60%020%0.2CC..EExtended strand (participates in β ladder)trans-149.1157173.170.90000112.9I137 P165 M166 Y204I137-S154 WeakPolarHBondContact O-CA 3.47Å; I137-S154 WeakPolarHBondContact O-CB 3.43Å; S154-P165 WeakPolarHBondContact O-CA 3.35Å; S154-M166 PolarHBondContact N-O 2.83Å; S154-M166 PolarHBondContact O-N 3.07Å; S154-M166 WeakPolarHBondContact OG-CE 3.45Å; S154-Y204 WeakPolarHBondContact OG-CE1 3.45Å
155V95.7Very high91.6Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-138.2151.6160-61.10000107.9I137 I162 P165 L270 C273 Y274 A277I137-V155 HydrophobicContact CB-CG2 3.96Å; I137-V155 WeakPolarHBondContact CB-O 3.48Å; I137-V155 HydrophobicContact CD1-CG2 4.22Å; I137-V155 WeakPolarHBondContact CD1-O 3.48Å; I137-V155 HydrophobicContact CG1-CG2 4.42Å; I137-V155 PolarHBondContact N-O 3.27Å; I137-V155 PolarHBondContact O-N 3.34Å; I137-V155 VanDerWaalsContact O-N 3.14Å; V155-I162 HydrophobicContact CB-CG2 3.64Å; V155-I162 HydrophobicContact CG1-CG2 4.02Å; V155-I162 HydrophobicContact CG2-CG2 3.71Å; V155-P165 HydrophobicContact CG1-CB 4.19Å; V155-L270 HydrophobicContact CG1-CD1 3.8Å; V155-C273 HydrophobicContact CG1-CB 4.18Å; V155-C273 HydrophobicContact CG2-CB 4.07Å; V155-Y274 HydrophobicContact CG1-CD2 3.83Å; V155-Y274 HydrophobicContact CG1-CE2 3.57Å; V155-A277 HydrophobicContact CG2-CB 3.67Å
156D91.7Very high91.7Very high0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-101.8142.5174.7-59.6-28.6000110.4H89 M134 L135 R136 I158 I162 V163 N164H89-D156 IonicContact CE1-OD2 3.82Å; H89-D156 PolarHBondContact CE1-OD2 2.9Å; H89-D156 IonicContact ND1-OD2 2.89Å; H89-D156 IonicContact NE2-OD2 3.48Å; H89-D156 PolarHBondContact NE2-OD2 3.15Å; M134-D156 HydrophobicContact CG-CB 4.11Å; M134-D156 HydrophobicContact SD-CB 4.38Å; L135-D156 WeakPolarHBondContact O-CA 3.49Å; R136-D156 WeakPolarHBondContact CB-OD1 3.5Å; R136-D156 WeakPolarHBondContact CG-OD1 3.5Å; R136-D156 IonicContact CZ-OD1 3.24Å; R136-D156 IonicContact CZ-OD2 2.78Å; R136-D156 IonicContact NE-OD1 3.67Å; R136-D156 PolarHBondContact NE-OD1 3.05Å; R136-D156 IonicContact NE-OD2 3.95Å; R136-D156 IonicContact NH2-OD1 3.41Å; R136-D156 PolarHBondContact NH2-OD1 2.75Å; R136-D156 IonicContact NH2-OD2 3.48Å; R136-D156 PolarHBondContact NH2-OD2 3.12Å; R136-D156 VanDerWaalsContact NH2-OD2 3.11Å; D156-I158 HydrophobicContact CB-CG1 4.39Å; D156-I162 CarbonylContact O-C 3.49Å; D156-I162 WeakPolarHBondContact O-CA 3.46Å; D156-V163 HydrophobicContact CB-CG2 4.05Å; D156-V163 PolarHBondContact N-O 3.29Å; D156-V163 PolarHBondContact O-N 3.29Å; D156-N164 HydrophobicContact CB-CB 4.47Å; D156-N164 WeakPolarHBondContact OD2-CB 3.27Å; D156-N164 PolarHBondContact OD2-ND2 3.4Å
157V92.3Very high92.1Very high3 Ų328.2 Ų28.22%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-104.6115.6166.11700000108.4L135 I137 K161 I162 A277 I281L135-V157 HydrophobicContact CB-CB 4.45Å; L135-V157 PolarHBondContact N-O 3.46Å; L135-V157 VanDerWaalsContact N-O 3.17Å; L135-V157 PolarHBondContact O-N 2.75Å; I137-V157 HydrophobicContact CD1-CB 4.02Å; I137-V157 HydrophobicContact CD1-CG2 3.49Å; I137-V157 VanDerWaalsContact CD1-CG2 3.49Å; V157-K161 WeakPolarHBondContact CA-O 3.41Å; V157-I162 HydrophobicContact CG2-CG1 4.22Å; V157-A277 HydrophobicContact CG2-CB 3.9Å; V157-I281 HydrophobicContact CG1-CD1 4.26Å; V157-I281 HydrophobicContact CG1-CG1 3.87Å; V157-I281 HydrophobicContact CG2-CD1 3.99Å; V157-I281 HydrophobicContact CG2-CG1 4.12Å
158I84.5Confident92.2Very high26 Ų2630.6 Ų30.613%0.13317%0.174CC..EExtended strand (participates in β ladder)trans-128.3123.4175.4-53.8177.8000106.7M134 D156 G160 K161 V163M134-I158 HydrophobicContact CB-CD1 4.42Å; M134-I158 HydrophobicContact CB-CG1 4.13Å; M134-I158 HydrophobicContact CG-CD1 3.99Å; M134-I158 HydrophobicContact CG-CG1 3.84Å; D156-I158 HydrophobicContact CB-CG1 4.39Å; I158-G160 PolarHBondContact O-N 3.33Å; I158-K161 PolarHBondContact N-O 3.28Å; I158-K161 WeakPolarHBondContact O-CB 3.41Å; I158-K161 PolarHBondContact O-N 3.14Å; I158-V163 HydrophobicContact CD1-CG2 3.99Å; I158-V163 HydrophobicContact CG1-CG2 4.18Å
159D81.5Confident92.4Very high104 Ų10432 Ų3256%0.55618%0.18SC*.THydrogen-bonded Turntrans50.641.2-178.4-55.3-33.1000113.4H132 K161H132-D159 WeakPolarHBondContact CB-OD1 3.38Å; H132-D159 IonicContact CD2-OD1 2.75Å; H132-D159 PolarHBondContact CD2-OD1 3.14Å; H132-D159 IonicContact CG-OD1 3.34Å; H132-D159 VanDerWaalsContact CG-OD1 3.24Å; D159-K161 PolarHBondContact O-N 3.03Å
160G86.5Confident92.3Very high44 Ų4431.6 Ų31.645%0.45418%0.178SC..THydrogen-bonded Turntrans70.58.5-179.300000115I158 I281I158-G160 PolarHBondContact O-N 3.33Å; G160-I281 WeakPolarHBondContact O-CD1 3.37Å
161K88.1Confident92.3Very high149 Ų14936.9 Ų36.965%0.64820%0.198SC*.EExtended strand (participates in β ladder)trans-106.8136.3176.9-63.4179.2-176.1171.60110.6V157 I158 D159 V163V157-K161 WeakPolarHBondContact CA-O 3.41Å; I158-K161 PolarHBondContact N-O 3.28Å; I158-K161 WeakPolarHBondContact O-CB 3.41Å; I158-K161 PolarHBondContact O-N 3.14Å; D159-K161 PolarHBondContact O-N 3.03Å; K161-V163 HydrophobicContact CB-CG1 4.5Å
162I91.2Very high92.3Very high43 Ų4337.5 Ų37.522%0.22120%0.202CC..EExtended strand (participates in β ladder)trans-83.8122174.4-54.9174.5000108.5V155 D156 V157 V258 Y274 A277 I281V155-I162 HydrophobicContact CB-CG2 3.64Å; V155-I162 HydrophobicContact CG1-CG2 4.02Å; V155-I162 HydrophobicContact CG2-CG2 3.71Å; D156-I162 CarbonylContact O-C 3.49Å; D156-I162 WeakPolarHBondContact O-CA 3.46Å; V157-I162 HydrophobicContact CG2-CG1 4.22Å; I162-V258 HydrophobicContact CD1-CG2 3.62Å; I162-Y274 HydrophobicContact CD1-CD1 4.17Å; I162-Y274 HydrophobicContact CG2-CD1 4.02Å; I162-Y274 HydrophobicContact CG2-CE1 3.81Å; I162-A277 HydrophobicContact CD1-CB 3.71Å; I162-A277 HydrophobicContact CG1-CB 3.92Å; I162-A277 HydrophobicContact CG2-CB 4.5Å; I162-I281 HydrophobicContact CD1-CD1 4.37Å; I162-I281 HydrophobicContact CG1-CD1 3.93Å
163V87.2Confident92.1Very high50 Ų5042.5 Ų42.530%0.30323%0.229SC..EExtended strand (participates in β ladder)trans-137.6174.6-178.6-63.20000110.6D156 I158 K161D156-V163 HydrophobicContact CB-CG2 4.05Å; D156-V163 PolarHBondContact N-O 3.29Å; D156-V163 PolarHBondContact O-N 3.29Å; I158-V163 HydrophobicContact CD1-CG2 3.99Å; I158-V163 HydrophobicContact CG1-CG2 4.18Å; K161-V163 HydrophobicContact CB-CG1 4.5Å
164N82.1Confident92Very high31 Ų3147 Ų4717%0.16625%0.246CC..EExtended strand (participates in β ladder)trans52.754.7172.4-50.7-32.5000115.9H89 D156 M166H89-N164 VanDerWaalsContact CD2-CG 3.43Å; H89-N164 PolarHBondContact CD2-ND2 3.39Å; H89-N164 PolarHBondContact CE1-ND2 2.98Å; H89-N164 PolarHBondContact ND1-ND2 3.22Å; H89-N164 WeakPolarHBondContact NE2-CB 3.11Å; H89-N164 PolarHBondContact NE2-ND2 3.01Å; D156-N164 HydrophobicContact CB-CB 4.47Å; D156-N164 WeakPolarHBondContact OD2-CB 3.27Å; D156-N164 PolarHBondContact OD2-ND2 3.4Å; N164-M166 PolarHBondContact O-N 2.79Å
165P90.4Very high92Very high62 Ų6252 Ų5240%0.40328%0.279SS..EExtended strand (participates in β ladder)trans-64.8122.8173.628.8-33.8000110.8S154 V155 L270 Y274S154-P165 WeakPolarHBondContact O-CA 3.35Å; V155-P165 HydrophobicContact CG1-CB 4.19Å; P165-L270 HydrophobicContact CB-CD1 3.9Å; P165-L270 HydrophobicContact CB-CD2 4.22Å; P165-Y274 HydrophobicContact CB-CE2 4.25Å
166M91.6Very high92.1Very high15 Ų1552.6 Ų52.67%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-124141.3171.5-63-172.2-68.600109.3A153 S154 N164 H203 Y204A153-M166 CarbonylContact C-O 3.58Å; A153-M166 WeakPolarHBondContact CA-O 3.37Å; A153-M166 VanDerWaalsContact CB-O 3.3Å; A153-M166 WeakPolarHBondContact CB-O 3.43Å; S154-M166 PolarHBondContact N-O 2.83Å; S154-M166 PolarHBondContact O-N 3.07Å; S154-M166 WeakPolarHBondContact OG-CE 3.45Å; N164-M166 PolarHBondContact O-N 2.79Å; M166-H203 VanDerWaalsContact CE-O 3.3Å; M166-H203 WeakPolarHBondContact CE-O 3.12Å; M166-Y204 HydrophobicContact CB-CE1 4.13Å; M166-Y204 HydrophobicContact CE-CD1 4.21Å; M166-Y204 HydrophobicContact CE-CE1 4.39Å
167S95.6Very high92.3Very high47 Ų4754.1 Ų54.133%0.32929%0.293SS..EExtended strand (participates in β ladder)trans-152.9127177.7-162.10000109E151 I152E151-S167 PolarHBondContact OE1-OG 3.12Å; I152-S167 WeakPolarHBondContact O-CA 3.37Å
168H96.1Very high92.5Very high53 Ų5358.8 Ų58.825%0.24532%0.323CS..EExtended strand (participates in β ladder)trans-128.6128176.7-62.988000108.6E151 I152 V200 H203 Y204E151-H168 WeakPolarHBondContact CA-O 3.38Å; I152-H168 HydrophobicContact CG2-CB 4.26Å; I152-H168 PolarHBondContact N-O 3.46Å; I152-H168 PolarHBondContact O-N 3.45Å; H168-V200 HydrophobicContact CB-CG1 3.52Å; H168-V200 HydrophobicContact CB-CG2 4.44Å; H168-H203 AromaticContact CE1-ND1 3.64Å; H168-H203 AromaticContact NE2-ND1 3.51Å; H168-Y204 PolarHBondContact N-OH 2.84Å; H168-Y204 AromaticContact ND1-CE2 3.53Å; H168-Y204 AromaticContact ND1-CZ 3.55Å; H168-Y204 PolarHBondContact ND1-OH 3.44Å
169L97.9Very high93.1Very high36 Ų3663.9 Ų63.919%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-72.7140.1159.2-70.9176.4000107.9V150 E151 I186 M190 V191 K194V150-L169 WeakPolarHBondContact O-CA 3.48Å; E151-L169 HydrophobicContact CB-CD2 4.17Å; E151-L169 HydrophobicContact CG-CD2 4.24Å; L169-I186 HydrophobicContact CD2-CD1 3.98Å; L169-I186 HydrophobicContact CD2-CG1 4.31Å; L169-I186 HydrophobicContact CD2-CG2 4.08Å; L169-M190 HydrophobicContact CD1-CB 4.38Å; L169-M190 HydrophobicContact CD1-CE 4.32Å; L169-V191 HydrophobicContact CB-CG1 4.41Å; L169-V191 HydrophobicContact CD2-CG1 4.42Å; L169-K194 HydrophobicContact CB-CD 4.02Å; L169-K194 HydrophobicContact CB-CG 3.86Å
170V97.5Very high93.7Very high0 Ų059.4 Ų59.40%032%0.323CS..  trans-128.8140.5-172.5179.10000108.6I149 V150 I152 P172 V191 I197 V200I149-V170 HydrophobicContact CG2-CB 4.31Å; I149-V170 HydrophobicContact CG2-CG2 4.39Å; V150-V170 WeakPolarHBondContact CA-O 3.44Å; V150-V170 PolarHBondContact O-N 3.36Å; I152-V170 HydrophobicContact CG2-CG2 3.94Å; V170-P172 WeakPolarHBondContact O-CD 3.47Å; V170-V191 WeakPolarHBondContact O-CB 3.37Å; V170-V191 WeakPolarHBondContact O-CG1 3.36Å; V170-I197 HydrophobicContact CG1-CB 3.86Å; V170-I197 HydrophobicContact CG1-CD1 4.37Å; V170-I197 HydrophobicContact CG2-CD1 4.27Å; V170-V200 HydrophobicContact CG2-CG1 4.31Å; V170-V200 HydrophobicContact CG2-CG2 4.41Å
171R97.8Very high94.2Very high110 Ų11060.1 Ų60.142%0.41532%0.316SS..  trans-72.9119.5172.3180174.6178.9175.7-0.3109.6V191 K194 P195 W196R171-V191 WeakPolarHBondContact CB-O 3.49Å; R171-K194 VanDerWaalsContact CB-O 3.22Å; R171-K194 WeakPolarHBondContact CB-O 3.1Å; R171-P195 PolarHBondContact N-O 2.8Å; R171-W196 HydrophobicContact CB-CD2 4.48Å; R171-W196 HydrophobicContact CB-CE3 4.24Å; R171-W196 HydrophobicContact CB-CZ3 4.46Å; R171-W196 HydrophobicContact CG-CD2 4.48Å; R171-W196 HydrophobicContact CG-CE3 4.11Å; R171-W196 HydrophobicContact CG-CH2 3.97Å; R171-W196 HydrophobicContact CG-CZ2 4.33Å; R171-W196 HydrophobicContact CG-CZ3 3.84Å
172P97.2Very high94.6Very high15 Ų1556.7 Ų56.710%0.09732%0.315CS..  trans-76.8158.6-179.232.3-36.5000112.2C143 V150 V170 R174 I176 V191 W196C143-P172 WeakPolarHBondContact SG-CB 3.46Å; V150-P172 HydrophobicContact CG1-CB 3.97Å; V150-P172 HydrophobicContact CG1-CG 3.98Å; V170-P172 WeakPolarHBondContact O-CD 3.47Å; P172-R174 VanDerWaalsContact C-N 3.27Å; P172-R174 PolarHBondContact O-N 2.97Å; P172-I176 HydrophobicContact CG-CG1 4.47Å; P172-V191 HydrophobicContact CG-CG2 4.14Å; P172-W196 WeakPolarHBondContact O-CZ3 3.47Å
173D94.5Very high94.7Very high104 Ų10458.7 Ų58.756%0.55633%0.325SS*.SBendtrans-81.5-3.3174.870.5-20.1000113.6G148G148-D173 WeakPolarHBondContact CA-OD1 3.02Å
174R96.1Very high95.1Very high94 Ų9456.4 Ų56.436%0.35531%0.311SS..SBendtrans-153.7161.9-173.470-167.567.2-176.3-0.5111.7C143 Q146 P172C143-R174 HydrophobicContact CB-CG 3.73Å; C143-R174 PolarHBondContact SG-O 3.24Å; Q146-R174 PolarHBondContact O-NH1 3.03Å; P172-R174 VanDerWaalsContact C-N 3.27Å; P172-R174 PolarHBondContact O-N 2.97Å
175P96.2Very high95.8Very high107 Ų10763 Ų6370%0.69533%0.334SS*.PPolyproline II helixtrans-62.8141.7175.2-21.833.6000112.8C143 S177 E188C143-P175 WeakPolarHBondContact CB-O 2.99Å; P175-S177 PolarHBondContact O-N 2.83Å; P175-E188 WeakPolarHBondContact CA-OE1 3.27Å
176I97.6Very high96.1Very high11 Ų1160 Ų606%0.05632%0.315CS..PPolyproline II helixtrans-71122.8173.2-52.5174.5000108.9V150 P172 A180 M181 E188 V191V150-I176 HydrophobicContact CG1-CD1 3.79Å; V150-I176 HydrophobicContact CG1-CG1 3.82Å; P172-I176 HydrophobicContact CG-CG1 4.47Å; I176-A180 HydrophobicContact CG2-CB 4.27Å; I176-M181 HydrophobicContact CB-CE 3.98Å; I176-M181 HydrophobicContact CG2-CB 3.89Å; I176-M181 HydrophobicContact CG2-CE 4.07Å; I176-E188 WeakPolarHBondContact CB-OE1 3.37Å; I176-E188 HydrophobicContact CD1-CG 4.45Å; I176-E188 WeakPolarHBondContact CG1-OE1 3.31Å; I176-E188 PolarHBondContact N-OE1 3.21Å; I176-V191 HydrophobicContact CD1-CG2 4.19Å
177S97Very high96.3Very high33 Ų3362 Ų6223%0.23133%0.327CS..PPolyproline II helixtrans-64.3146.9175.267.70000111.2C143 P175 Q179 A180 M181C143-S177 WeakPolarHBondContact O-CB 3.37Å; C143-S177 PolarHBondContact O-N 3.04Å; C143-S177 PolarHBondContact O-OG 3.2Å; P175-S177 PolarHBondContact O-N 2.83Å; S177-Q179 PolarHBondContact O-N 3.03Å; S177-Q179 VanDerWaalsContact O-N 3.16Å; S177-A180 PolarHBondContact O-N 3.4Å; S177-A180 VanDerWaalsContact O-N 3.15Å; S177-A180 VanDerWaalsContact OG-CB 3.27Å; S177-A180 WeakPolarHBondContact OG-CB 3.38Å; S177-A180 PolarHBondContact OG-N 3.44Å; S177-A180 VanDerWaalsContact OG-N 3.16Å; S177-M181 WeakPolarHBondContact O-CB 3.44Å; S177-M181 PolarHBondContact O-N 2.93Å
178P96.6Very high96.3Very high100 Ų10063.5 Ų63.565%0.64933%0.329SS*.Hα-helixtrans-55.3-34.1175.1-26.935.1000113A182P178-A182 WeakPolarHBondContact O-CB 3.32Å; P178-A182 PolarHBondContact O-N 3.36Å
179Q95.8Very high96.4Very high134 Ų13464.9 Ų64.963%0.62635%0.35SS*.Hα-helixtrans-67.2-47.1177.9-64.782.21.200111.9S177 A182 I183S177-Q179 PolarHBondContact O-N 3.03Å; S177-Q179 VanDerWaalsContact O-N 3.16Å; Q179-A182 PolarHBondContact O-N 2.85Å; Q179-I183 WeakPolarHBondContact O-CD1 3.14Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.36Å; Q179-I183 PolarHBondContact O-N 3.27Å
180A95.3Very high96.3Very high10 Ų1066.3 Ų66.38%0.08336%0.356CS..Hα-helixtrans-63.7-46.7177.200000111T142 C143 I176 S177 A182 I183 H184T142-A180 WeakPolarHBondContact O-CB 3.29Å; C143-A180 VanDerWaalsContact O-CB 3.31Å; C143-A180 WeakPolarHBondContact O-CB 3.29Å; I176-A180 HydrophobicContact CG2-CB 4.27Å; S177-A180 PolarHBondContact O-N 3.4Å; S177-A180 VanDerWaalsContact O-N 3.15Å; S177-A180 VanDerWaalsContact OG-CB 3.27Å; S177-A180 WeakPolarHBondContact OG-CB 3.38Å; S177-A180 PolarHBondContact OG-N 3.44Å; S177-A180 VanDerWaalsContact OG-N 3.16Å; A180-A182 VanDerWaalsContact C-N 3.26Å; A180-A182 PolarHBondContact O-N 3.45Å; A180-I183 WeakPolarHBondContact O-CA 3.17Å; A180-I183 WeakPolarHBondContact O-CB 3.45Å; A180-I183 PolarHBondContact O-N 2.96Å; A180-H184 VanDerWaalsContact C-CD2 3.49Å; A180-H184 WeakPolarHBondContact CB-NE2 3.49Å; A180-H184 PolarHBondContact O-CD2 2.93Å; A180-H184 PolarHBondContact O-N 3.49Å; A180-H184 PolarHBondContact O-NE2 2.96Å; A180-H184 VanDerWaalsContact O-NE2 3.16Å
181M96.4Very high96.3Very high59 Ų5966.3 Ų66.329%0.29136%0.356SS..Hα-helixtrans-56.8-38.9176.8-169.3177.9-55.100112.5I176 S177 I183 R185 I186 T187 E188I176-M181 HydrophobicContact CB-CE 3.98Å; I176-M181 HydrophobicContact CG2-CB 3.89Å; I176-M181 HydrophobicContact CG2-CE 4.07Å; S177-M181 WeakPolarHBondContact O-CB 3.44Å; S177-M181 PolarHBondContact O-N 2.93Å; M181-I183 VanDerWaalsContact C-N 3.27Å; M181-I183 PolarHBondContact O-N 3.09Å; M181-R185 WeakPolarHBondContact O-CA 3.27Å; M181-R185 PolarHBondContact O-N 2.73Å; M181-I186 WeakPolarHBondContact CG-O 3.31Å; M181-T187 HydrophobicContact SD-CG2 4.27Å; M181-E188 HydrophobicContact CE-CG 4.45Å
182A95.6Very high96.3Very high76 Ų7663.9 Ų63.963%0.62836%0.36SS*.Hα-helixtrans-66.9-27.9176.500000113.4P178 Q179 A180P178-A182 WeakPolarHBondContact O-CB 3.32Å; P178-A182 PolarHBondContact O-N 3.36Å; Q179-A182 PolarHBondContact O-N 2.85Å; A180-A182 VanDerWaalsContact C-N 3.26Å; A180-A182 PolarHBondContact O-N 3.45Å
183I94.7Very high96.2Very high85 Ų8568.8 Ų68.844%0.43639%0.385SS..Hα-helixtrans-80.3-64.2-179.8-67.8167000110Q179 A180 M181 H267Q179-I183 WeakPolarHBondContact O-CD1 3.14Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.36Å; Q179-I183 PolarHBondContact O-N 3.27Å; A180-I183 WeakPolarHBondContact O-CA 3.17Å; A180-I183 WeakPolarHBondContact O-CB 3.45Å; A180-I183 PolarHBondContact O-N 2.96Å; M181-I183 VanDerWaalsContact C-N 3.27Å; M181-I183 PolarHBondContact O-N 3.09Å; I183-H267 HydrophobicContact CG2-CB 3.67Å
184H94.9Very high96.4Very high2 Ų266.8 Ų66.81%0.00937%0.372CS..Hα-helixtrans-86.6-17.6-172.65767.3000113.9E141 T142 A180 I186 H265 H267 R268E141-H184 HydrophobicContact CB-CB 4.16Å; E141-H184 HydrophobicContact CG-CB 3.9Å; E141-H184 IonicContact OE2-CD2 2.67Å; T142-H184 PolarHBondContact O-NE2 3.45Å; A180-H184 VanDerWaalsContact C-CD2 3.49Å; A180-H184 WeakPolarHBondContact CB-NE2 3.49Å; A180-H184 PolarHBondContact O-CD2 2.93Å; A180-H184 PolarHBondContact O-N 3.49Å; A180-H184 PolarHBondContact O-NE2 2.96Å; A180-H184 VanDerWaalsContact O-NE2 3.16Å; H184-I186 VanDerWaalsContact C-N 3.29Å; H184-I186 HydrophobicContact CB-CD1 4.38Å; H184-I186 PolarHBondContact CE1-O 3.38Å; H184-I186 VanDerWaalsContact ND1-CB 3.29Å; H184-I186 WeakPolarHBondContact ND1-CB 3.22Å; H184-I186 PolarHBondContact ND1-N 3.43Å; H184-I186 PolarHBondContact O-N 2.83Å; H184-H265 PolarHBondContact O-NE2 3.11Å; H184-H267 WeakPolarHBondContact CA-O 3.4Å; H184-H267 HydrophobicContact CB-CB 4.35Å; H184-H267 WeakPolarHBondContact CB-O 3.26Å; H184-R268 WeakPolarHBondContact O-CD 3.47Å
185R96.2Very high96.4Very high170 Ų17065 Ų6564%0.64237%0.372SS*.  trans62.830.2179.2-48.9-178.2-177.6-179.7-2.2114.5M181M181-R185 WeakPolarHBondContact O-CA 3.27Å; M181-R185 PolarHBondContact O-N 2.73Å
186I96.6Very high96.4Very high0 Ų064.9 Ų64.90%036%0.358CS..  trans-97.5123.5172.3-57.1164.9000107E141 V150 E151 L169 M181 H184 M190 V191E141-I186 HydrophobicContact CB-CD1 4.22Å; V150-I186 HydrophobicContact CB-CD1 4.47Å; V150-I186 HydrophobicContact CB-CG2 4.32Å; V150-I186 HydrophobicContact CG2-CB 4.44Å; V150-I186 HydrophobicContact CG2-CD1 3.78Å; E151-I186 HydrophobicContact CB-CD1 3.71Å; L169-I186 HydrophobicContact CD2-CD1 3.98Å; L169-I186 HydrophobicContact CD2-CG1 4.31Å; L169-I186 HydrophobicContact CD2-CG2 4.08Å; M181-I186 WeakPolarHBondContact CG-O 3.31Å; H184-I186 VanDerWaalsContact C-N 3.29Å; H184-I186 HydrophobicContact CB-CD1 4.38Å; H184-I186 PolarHBondContact CE1-O 3.38Å; H184-I186 VanDerWaalsContact ND1-CB 3.29Å; H184-I186 WeakPolarHBondContact ND1-CB 3.22Å; H184-I186 PolarHBondContact ND1-N 3.43Å; H184-I186 PolarHBondContact O-N 2.83Å; I186-M190 HydrophobicContact CG2-CB 4.25Å; I186-M190 HydrophobicContact CG2-CE 4.36Å; I186-M190 HydrophobicContact CG2-SD 4.48Å; I186-V191 HydrophobicContact CG2-CG1 3.59Å
187T96.4Very high96.3Very high56 Ų5665.3 Ų65.334%0.34436%0.36SS..  trans-99159.6-179.168.40000111M181 A189 M190M181-T187 HydrophobicContact SD-CG2 4.27Å; T187-A189 PolarHBondContact O-N 2.93Å; T187-M190 HydrophobicContact CG2-SD 4.45Å; T187-M190 WeakPolarHBondContact O-CB 3.47Å; T187-M190 PolarHBondContact O-N 3.49Å; T187-M190 WeakPolarHBondContact OG1-CG 3.47Å
188E96.5Very high96.1Very high79 Ų7969.4 Ų69.437%0.36938%0.376SS..Hα-helixtrans-52-40174.9-64.9-68.8173.900112.3P175 I176 M181 M190 V191 A192P175-E188 WeakPolarHBondContact CA-OE1 3.27Å; I176-E188 WeakPolarHBondContact CB-OE1 3.37Å; I176-E188 HydrophobicContact CD1-CG 4.45Å; I176-E188 WeakPolarHBondContact CG1-OE1 3.31Å; I176-E188 PolarHBondContact N-OE1 3.21Å; M181-E188 HydrophobicContact CE-CG 4.45Å; E188-M190 PolarHBondContact O-N 3.16Å; E188-V191 WeakPolarHBondContact O-CG2 3.45Å; E188-V191 PolarHBondContact O-N 2.81Å; E188-A192 WeakPolarHBondContact O-CB 3.46Å; E188-A192 PolarHBondContact O-N 3.19Å
189A97Very high95.7Very high81 Ų8169.6 Ų69.667%0.66937%0.371SS*.Hα-helixtrans-64.5-27.4179.600000113.3T187 V191T187-A189 PolarHBondContact O-N 2.93Å; A189-V191 VanDerWaalsContact C-N 3.34Å
190M97.3Very high95.3Very high66 Ų6663.4 Ų63.433%0.32534%0.342SS..Hα-helixtrans-75.9-23.9178.9-67.2168.162.300112.9L169 I186 T187 E188 K194L169-M190 HydrophobicContact CD1-CB 4.38Å; L169-M190 HydrophobicContact CD1-CE 4.32Å; I186-M190 HydrophobicContact CG2-CB 4.25Å; I186-M190 HydrophobicContact CG2-CE 4.36Å; I186-M190 HydrophobicContact CG2-SD 4.48Å; T187-M190 HydrophobicContact CG2-SD 4.45Å; T187-M190 WeakPolarHBondContact O-CB 3.47Å; T187-M190 PolarHBondContact O-N 3.49Å; T187-M190 WeakPolarHBondContact OG1-CG 3.47Å; E188-M190 PolarHBondContact O-N 3.16Å; M190-K194 WeakPolarHBondContact O-CE 3.37Å; M190-K194 WeakPolarHBondContact O-CG 3.31Å; M190-K194 PolarHBondContact O-NZ 2.88Å
191V97.6Very high95Very high1 Ų163.2 Ų63.21%0.00634%0.34CS..Hα-helixtrans-112-9.1-173.5-63.60000113.8V150 L169 V170 R171 P172 I176 I186 E188 A189 D193 K194V150-V191 HydrophobicContact CB-CG1 4.3Å; L169-V191 HydrophobicContact CB-CG1 4.41Å; L169-V191 HydrophobicContact CD2-CG1 4.42Å; V170-V191 WeakPolarHBondContact O-CB 3.37Å; V170-V191 WeakPolarHBondContact O-CG1 3.36Å; R171-V191 WeakPolarHBondContact CB-O 3.49Å; P172-V191 HydrophobicContact CG-CG2 4.14Å; I176-V191 HydrophobicContact CD1-CG2 4.19Å; I186-V191 HydrophobicContact CG2-CG1 3.59Å; E188-V191 WeakPolarHBondContact O-CG2 3.45Å; E188-V191 PolarHBondContact O-N 2.81Å; A189-V191 VanDerWaalsContact C-N 3.34Å; V191-D193 VanDerWaalsContact C-N 3.28Å; V191-D193 PolarHBondContact O-N 2.97Å; V191-K194 WeakPolarHBondContact O-CB 3.43Å; V191-K194 PolarHBondContact O-N 3.11Å; V191-K194 VanDerWaalsContact O-N 3.14Å
192A96Very high94.5Very high59 Ų5963.4 Ų63.449%0.48835%0.346SS..THydrogen-bonded Turntrans-58.4-36-174.100000114.4E188E188-A192 WeakPolarHBondContact O-CB 3.46Å; E188-A192 PolarHBondContact O-N 3.19Å
193D96.4Very high93.9Very high118 Ų11862.6 Ų62.663%0.63133%0.329SS*.THydrogen-bonded Turntrans-103.27.5-178.368.3-39.9000113V191V191-D193 VanDerWaalsContact C-N 3.28Å; V191-D193 PolarHBondContact O-N 2.97Å
194K97.8Very high93.5Very high62 Ų6258.5 Ų58.527%0.2731%0.308SS..SBendtrans-84.4156.8-177.2-62.6-64.2170.3-77.70111.4L169 R171 M190 V191L169-K194 HydrophobicContact CB-CD 4.02Å; L169-K194 HydrophobicContact CB-CG 3.86Å; R171-K194 VanDerWaalsContact CB-O 3.22Å; R171-K194 WeakPolarHBondContact CB-O 3.1Å; M190-K194 WeakPolarHBondContact O-CE 3.37Å; M190-K194 WeakPolarHBondContact O-CG 3.31Å; M190-K194 PolarHBondContact O-NZ 2.88Å; V191-K194 WeakPolarHBondContact O-CB 3.43Å; V191-K194 PolarHBondContact O-N 3.11Å; V191-K194 VanDerWaalsContact O-N 3.14Å
195P96.1Very high93Very high56 Ų5661.9 Ų61.936%0.36432%0.321SS..PPolyproline II helixtrans-63.3160.6176.626.8-36.6000111.9R171 D199 V200R171-P195 PolarHBondContact N-O 2.8Å; P195-D199 HydrophobicContact CB-CB 4.18Å; P195-V200 HydrophobicContact CB-CG2 3.82Å; P195-V200 HydrophobicContact CG-CG2 3.38Å
196W96.9Very high92Very high104 Ų10455.1 Ų55.139%0.39430%0.304SS..PPolyproline II helixtrans-75162172.4-62.3103.2000110.7R171 P172 E198 D199 V200R171-W196 HydrophobicContact CB-CD2 4.48Å; R171-W196 HydrophobicContact CB-CE3 4.24Å; R171-W196 HydrophobicContact CB-CZ3 4.46Å; R171-W196 HydrophobicContact CG-CD2 4.48Å; R171-W196 HydrophobicContact CG-CE3 4.11Å; R171-W196 HydrophobicContact CG-CH2 3.97Å; R171-W196 HydrophobicContact CG-CZ2 4.33Å; R171-W196 HydrophobicContact CG-CZ3 3.84Å; P172-W196 WeakPolarHBondContact O-CZ3 3.47Å; W196-E198 WeakPolarHBondContact CB-OE2 3.48Å; W196-E198 PolarHBondContact O-N 2.98Å; W196-D199 PolarHBondContact N-OD2 3.42Å; W196-D199 PolarHBondContact O-N 2.85Å; W196-V200 PolarHBondContact O-N 2.92Å
197I96Very high91.3Very high20 Ų2055.2 Ų55.210%0.10331%0.305CS..Hα-helixtrans-62.1-33.6-177.8-173.859.7000111.2I149 I152 V170 D199 V200 I201 L222 P223I149-I197 HydrophobicContact CD1-CD1 3.98Å; I149-I197 HydrophobicContact CD1-CG1 3.87Å; I149-I197 HydrophobicContact CG2-CD1 4.23Å; I152-I197 HydrophobicContact CG2-CD1 4.25Å; V170-I197 HydrophobicContact CG1-CB 3.86Å; V170-I197 HydrophobicContact CG1-CD1 4.37Å; V170-I197 HydrophobicContact CG2-CD1 4.27Å; I197-D199 VanDerWaalsContact C-N 3.27Å; I197-D199 PolarHBondContact O-N 3.22Å; I197-V200 PolarHBondContact O-N 3.18Å; I197-V200 VanDerWaalsContact O-N 3.14Å; I197-I201 HydrophobicContact CD1-CB 4.46Å; I197-I201 HydrophobicContact CD1-CD1 4.35Å; I197-I201 HydrophobicContact CG1-CB 4.46Å; I197-I201 VanDerWaalsContact O-CB 3.27Å; I197-I201 WeakPolarHBondContact O-CB 3.3Å; I197-I201 WeakPolarHBondContact O-CG2 3.25Å; I197-I201 PolarHBondContact O-N 3.05Å; I197-L222 HydrophobicContact CD1-CD2 4.35Å; I197-P223 HydrophobicContact CG1-CG 4.06Å; I197-P223 HydrophobicContact CG2-CG 4.34Å
198E92.9Very high90.6Very high120 Ų12058.3 Ų58.356%0.56132%0.316SS*.Hα-helixtrans-62.6-33179.8-64.174-162.800112.6W196 P202W196-E198 WeakPolarHBondContact CB-OE2 3.48Å; W196-E198 PolarHBondContact O-N 2.98Å; E198-P202 WeakPolarHBondContact O-CD 3.23Å
199D87.5Confident90.5Very high104 Ų10455.4 Ų55.456%0.55630%0.301SS*.Hα-helixtrans-79.7-23.8178.4-56.3-43.6000111.9P195 W196 I197P195-D199 HydrophobicContact CB-CB 4.18Å; W196-D199 PolarHBondContact N-OD2 3.42Å; W196-D199 PolarHBondContact O-N 2.85Å; I197-D199 VanDerWaalsContact C-N 3.27Å; I197-D199 PolarHBondContact O-N 3.22Å
200V86.3Confident90.4Very high4 Ų451.5 Ų51.52%0.02427%0.269CS..Hα-helixtrans-98.4-36.9-173.1171.70000112.3I152 H168 V170 P195 W196 I197 P202 H203 Y204I152-V200 HydrophobicContact CG2-CG1 3.84Å; H168-V200 HydrophobicContact CB-CG1 3.52Å; H168-V200 HydrophobicContact CB-CG2 4.44Å; V170-V200 HydrophobicContact CG2-CG1 4.31Å; V170-V200 HydrophobicContact CG2-CG2 4.41Å; P195-V200 HydrophobicContact CB-CG2 3.82Å; P195-V200 HydrophobicContact CG-CG2 3.38Å; W196-V200 PolarHBondContact O-N 2.92Å; I197-V200 PolarHBondContact O-N 3.18Å; I197-V200 VanDerWaalsContact O-N 3.14Å; V200-P202 VanDerWaalsContact C-N 3.29Å; V200-H203 WeakPolarHBondContact O-CB 3.26Å; V200-H203 PolarHBondContact O-N 2.78Å; V200-H203 VanDerWaalsContact O-N 3.12Å; V200-Y204 HydrophobicContact CG1-CD2 4.44Å; V200-Y204 HydrophobicContact CG1-CE2 3.77Å
201I90Very high90.5Very high5 Ų548.4 Ų48.43%0.02625%0.254CS..G310 helixtrans-56.7-32.1-172.9-161.863.2000114.1I152 I197 H203 Y204 Y205 L222 P223 M225I152-I201 HydrophobicContact CD1-CD1 3.64Å; I197-I201 HydrophobicContact CD1-CB 4.46Å; I197-I201 HydrophobicContact CD1-CD1 4.35Å; I197-I201 HydrophobicContact CG1-CB 4.46Å; I197-I201 VanDerWaalsContact O-CB 3.27Å; I197-I201 WeakPolarHBondContact O-CB 3.3Å; I197-I201 WeakPolarHBondContact O-CG2 3.25Å; I197-I201 PolarHBondContact O-N 3.05Å; I201-H203 PolarHBondContact O-N 2.8Å; I201-H203 VanDerWaalsContact O-N 3.14Å; I201-Y204 WeakPolarHBondContact O-CB 3.41Å; I201-Y204 PolarHBondContact O-N 3.22Å; I201-Y205 HydrophobicContact CG1-CE1 3.87Å; I201-Y205 WeakPolarHBondContact CG2-OH 3.5Å; I201-L222 HydrophobicContact CD1-CD2 3.75Å; I201-P223 HydrophobicContact CB-CG 4.4Å; I201-P223 HydrophobicContact CG1-CB 4.34Å; I201-P223 HydrophobicContact CG1-CG 4.2Å; I201-P223 HydrophobicContact CG2-CB 4.44Å; I201-P223 HydrophobicContact CG2-CG 4.23Å; I201-M225 HydrophobicContact CD1-CE 4.38Å; I201-M225 HydrophobicContact CD1-SD 3.5Å; I201-M225 WeakPolarHBondContact CD1-SD 3.3Å; I201-M225 HydrophobicContact CG1-SD 3.74Å
202P85.9Confident90.5Very high64 Ų6448.3 Ų48.342%0.41625%0.254SS..G310 helixtrans-60.5-27178.6-25.237.5000114.1E198 V200 Y204 Y205E198-P202 WeakPolarHBondContact O-CD 3.23Å; V200-P202 VanDerWaalsContact C-N 3.29Å; P202-Y204 PolarHBondContact O-N 2.96Å; P202-Y205 HydrophobicContact CB-CD2 4.15Å; P202-Y205 HydrophobicContact CB-CE2 4.14Å; P202-Y205 HydrophobicContact CG-CE2 4.34Å; P202-Y205 WeakPolarHBondContact O-CB 3.14Å; P202-Y205 PolarHBondContact O-N 2.86Å
203H83.1Confident90.6Very high58 Ų5846.7 Ų46.727%0.26924%0.236SC..G310 helixtrans-65-20176.6-64.7-176.3000112.7M166 H168 V200 I201M166-H203 VanDerWaalsContact CE-O 3.3Å; M166-H203 WeakPolarHBondContact CE-O 3.12Å; H168-H203 AromaticContact CE1-ND1 3.64Å; H168-H203 AromaticContact NE2-ND1 3.51Å; V200-H203 WeakPolarHBondContact O-CB 3.26Å; V200-H203 PolarHBondContact O-N 2.78Å; V200-H203 VanDerWaalsContact O-N 3.12Å; I201-H203 PolarHBondContact O-N 2.8Å; I201-H203 VanDerWaalsContact O-N 3.14Å
204Y87Confident90.5Very high0 Ų043.8 Ų43.80%022%0.22CC..G310 helixtrans-95.3-1.9-178.5-64.8-92.1000112.6R136 I138 I152 S154 M166 H168 V200 I201 P202 Y210R136-Y204 PolarHBondContact NH1-O 2.92Å; I138-Y204 HydrophobicContact CD1-CD1 3.71Å; I138-Y204 HydrophobicContact CD1-CG 4.42Å; I152-Y204 HydrophobicContact CD1-CD1 4.04Å; I152-Y204 HydrophobicContact CD1-CD2 3.77Å; I152-Y204 HydrophobicContact CD1-CE1 4.18Å; I152-Y204 HydrophobicContact CD1-CE2 3.95Å; I152-Y204 HydrophobicContact CD1-CG 3.82Å; I152-Y204 HydrophobicContact CG1-CD1 4.2Å; I152-Y204 HydrophobicContact CG1-CD2 4.41Å; I152-Y204 HydrophobicContact CG1-CE1 3.89Å; I152-Y204 HydrophobicContact CG1-CE2 4.14Å; I152-Y204 HydrophobicContact CG1-CG 4.44Å; I152-Y204 HydrophobicContact CG2-CD2 4.47Å; I152-Y204 HydrophobicContact CG2-CE2 3.68Å; I152-Y204 PolarHBondContact O-OH 2.85Å; S154-Y204 WeakPolarHBondContact OG-CE1 3.45Å; M166-Y204 HydrophobicContact CB-CE1 4.13Å; M166-Y204 HydrophobicContact CE-CD1 4.21Å; M166-Y204 HydrophobicContact CE-CE1 4.39Å; H168-Y204 PolarHBondContact N-OH 2.84Å; H168-Y204 AromaticContact ND1-CE2 3.53Å; H168-Y204 AromaticContact ND1-CZ 3.55Å; H168-Y204 PolarHBondContact ND1-OH 3.44Å; V200-Y204 HydrophobicContact CG1-CD2 4.44Å; V200-Y204 HydrophobicContact CG1-CE2 3.77Å; I201-Y204 WeakPolarHBondContact O-CB 3.41Å; I201-Y204 PolarHBondContact O-N 3.22Å; P202-Y204 PolarHBondContact O-N 2.96Å; Y204-Y210 VanDerWaalsContact O-CE1 3.27Å; Y204-Y210 WeakPolarHBondContact O-CE1 3.43Å; Y204-Y210 PolarHBondContact O-OH 2.97Å; Y204-Y210 VanDerWaalsContact O-OH 3.04Å
205Y84.2Confident90.4Very high72 Ų7241 Ų4128%0.28221%0.209SC..  trans-73.4168.2176.7-62.3-16.9000113.2S92 R136 I201 P202 Y210 M225 P226S92-Y205 PolarHBondContact OG-O 2.99Å; R136-Y205 PolarHBondContact NH1-O 3.2Å; I201-Y205 HydrophobicContact CG1-CE1 3.87Å; I201-Y205 WeakPolarHBondContact CG2-OH 3.5Å; P202-Y205 HydrophobicContact CB-CD2 4.15Å; P202-Y205 HydrophobicContact CB-CE2 4.14Å; P202-Y205 HydrophobicContact CG-CE2 4.34Å; P202-Y205 WeakPolarHBondContact O-CB 3.14Å; P202-Y205 PolarHBondContact O-N 2.86Å; Y205-Y210 VanDerWaalsContact CA-OH 3.29Å; Y205-Y210 WeakPolarHBondContact CA-OH 3.13Å; Y205-M225 HydrophobicContact CD1-CE 3.84Å; Y205-M225 HydrophobicContact CD1-SD 4.03Å; Y205-M225 HydrophobicContact CE1-CE 4.1Å; Y205-M225 HydrophobicContact CE1-SD 3.64Å; Y205-P226 HydrophobicContact CD1-CG 3.82Å; Y205-P226 HydrophobicContact CE1-CG 4.39Å; Y205-P226 HydrophobicContact CG-CG 3.88Å
206G74.7Confident90.2Very high29 Ų2941.8 Ų41.830%0.29922%0.215SC..  trans99.82.3172.900000115.8Y110 M134 Y210Y110-G206 WeakPolarHBondContact CE1-O 3.46Å; M134-G206 WeakPolarHBondContact CE-O 3.17Å; G206-Y210 PolarHBondContact N-OH 3.44Å
207S81.7Confident90.1Very high2 Ų238.3 Ų38.31%0.01420%0.203CC..  trans-101.1134.1169.7-1700000110.6M134 W209 Y210M134-S207 PolarHBondContact O-OG 3.4Å; M134-S207 PolarHBondContact SD-OG 3.48Å; S207-W209 PolarHBondContact OG-N 3.44Å; S207-W209 VanDerWaalsContact OG-N 3.16Å; S207-W209 PolarHBondContact OG-O 3.14Å; S207-Y210 WeakPolarHBondContact O-CE2 3.43Å
208E82.7Confident90.1Very high121 Ų12137.5 Ų37.557%0.56520%0.199SC*.SBendtrans-68.2-27.4167.6-175.3177.9-173.400111.2E228E208-E228 PolarHBondContact O-N 2.81Å
209W92.7Very high90.2Very high17 Ų1739.5 Ų39.56%0.06420%0.201CC..EExtended strand (participates in β ladder)trans-128.8101.6-170.8-58.1106.6000111.8L135 R136 S207 E228 I230 A291 E292 A295L135-W209 HydrophobicContact CD2-CB 3.53Å; L135-W209 HydrophobicContact CD2-CG 4Å; R136-W209 PolarHBondContact N-O 3.44Å; S207-W209 PolarHBondContact OG-N 3.44Å; S207-W209 VanDerWaalsContact OG-N 3.16Å; S207-W209 PolarHBondContact OG-O 3.14Å; W209-E228 HydrophobicContact CE3-CB 3.67Å; W209-E228 HydrophobicContact CH2-CB 4.46Å; W209-E228 HydrophobicContact CZ3-CB 3.47Å; W209-E228 VanDerWaalsContact CZ3-CB 3.47Å; W209-E228 HydrophobicContact CZ3-CG 4.13Å; W209-I230 HydrophobicContact CB-CD1 4.2Å; W209-I230 HydrophobicContact CD2-CD1 4.33Å; W209-I230 HydrophobicContact CE3-CD1 3.99Å; W209-I230 HydrophobicContact CE3-CG1 4.27Å; W209-I230 HydrophobicContact CG-CD1 4.46Å; W209-A291 HydrophobicContact CD2-CB 3.77Å; W209-A291 HydrophobicContact CG-CB 3.86Å; W209-A291 HydrophobicContact CZ2-CB 4.16Å; W209-E292 HydrophobicContact CH2-CB 4.41Å; W209-E292 HydrophobicContact CH2-CG 4.11Å; W209-E292 HydrophobicContact CZ2-CG 3.82Å; W209-A295 HydrophobicContact CE3-CB 4Å; W209-A295 HydrophobicContact CH2-CB 4.03Å; W209-A295 HydrophobicContact CZ3-CB 3.28Å
210Y96.3Very high90.5Very high0 Ų041.6 Ų41.60%020%0.201CC..EExtended strand (participates in β ladder)trans-87.3130.4171.5-65.7-74000110.7R136 I138 Y204 Y205 G206 S207 M225 E228 W229 I230R136-Y210 HydrophobicContact CB-CD1 4.2Å; R136-Y210 HydrophobicContact CB-CE1 4.36Å; R136-Y210 HydrophobicContact CG-CD1 4.2Å; R136-Y210 HydrophobicContact CG-CE1 4.26Å; R136-Y210 CarbonylContact O-C 3.47Å; R136-Y210 WeakPolarHBondContact O-CA 3.3Å; I138-Y210 HydrophobicContact CD1-CD1 4.36Å; I138-Y210 HydrophobicContact CG1-CD1 3.84Å; Y204-Y210 VanDerWaalsContact O-CE1 3.27Å; Y204-Y210 WeakPolarHBondContact O-CE1 3.43Å; Y204-Y210 PolarHBondContact O-OH 2.97Å; Y204-Y210 VanDerWaalsContact O-OH 3.04Å; Y205-Y210 VanDerWaalsContact CA-OH 3.29Å; Y205-Y210 WeakPolarHBondContact CA-OH 3.13Å; G206-Y210 PolarHBondContact N-OH 3.44Å; S207-Y210 WeakPolarHBondContact O-CE2 3.43Å; Y210-M225 HydrophobicContact CD1-CE 4.01Å; Y210-M225 HydrophobicContact CD2-CB 4.05Å; Y210-M225 HydrophobicContact CE1-CE 3.36Å; Y210-M225 HydrophobicContact CE2-CB 3.89Å; Y210-M225 HydrophobicContact CE2-CE 4.31Å; Y210-E228 PolarHBondContact N-O 2.81Å; Y210-W229 CarbonylContact O-C 3.44Å; Y210-W229 VanDerWaalsContact O-CA 3.28Å; Y210-W229 WeakPolarHBondContact O-CA 3.29Å; Y210-I230 PolarHBondContact O-N 2.76Å
211V98.4Very high90.9Very high0 Ų042.6 Ų42.60%021%0.208CC..EExtended strand (participates in β ladder)trans-120.3128.9-176.5-170.40000109.7L135 R136 I137 I138 I230 T232 L280L135-V211 HydrophobicContact CB-CG2 3.95Å; L135-V211 HydrophobicContact CD2-CG2 4.25Å; R136-V211 PolarHBondContact O-N 3.02Å; I137-V211 CarbonylContact C-O 3.6Å; I137-V211 WeakPolarHBondContact CA-O 3.23Å; I137-V211 HydrophobicContact CG1-CB 4.21Å; I138-V211 PolarHBondContact N-O 2.88Å; V211-I230 WeakPolarHBondContact CA-O 3.4Å; V211-I230 HydrophobicContact CB-CB 4.49Å; V211-I230 HydrophobicContact CG1-CB 4.29Å; V211-I230 HydrophobicContact CG1-CG2 4.19Å; V211-I230 HydrophobicContact CG2-CB 4.09Å; V211-I230 HydrophobicContact CG2-CD1 4.35Å; V211-T232 HydrophobicContact CG1-CG2 3.56Å; V211-L280 HydrophobicContact CB-CD2 4.27Å; V211-L280 HydrophobicContact CG1-CD1 4.09Å; V211-L280 HydrophobicContact CG1-CD2 3.96Å; V211-L280 HydrophobicContact CG1-CG 4.5Å; V211-L280 HydrophobicContact CG2-CD2 3.97Å
212A98.3Very high91.2Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-144153.5173.600000112I138 N214 A215 D218 W229 I230 C231 T232I138-A212 WeakPolarHBondContact O-CB 3.3Å; A212-N214 PolarHBondContact O-N 3.38Å; A212-A215 HydrophobicContact CB-CB 3.87Å; A212-A215 PolarHBondContact O-N 2.83Å; A212-D218 HydrophobicContact CB-CB 4.32Å; A212-W229 HydrophobicContact CB-CE3 4.24Å; A212-W229 HydrophobicContact CB-CZ3 3.71Å; A212-I230 PolarHBondContact N-O 3.28Å; A212-C231 WeakPolarHBondContact O-CA 3.48Å; A212-T232 PolarHBondContact O-N 2.67Å
213H97.6Very high91.5Very high24 Ų2441.8 Ų41.811%0.11120%0.202CC..THydrogen-bonded Turntrans-79.5113.7170.9-170.480.6000109.2T232 Y245 N247 T276H213-T232 WeakPolarHBondContact CA-OG1 3.5Å; H213-T232 PolarHBondContact ND1-OG1 2.99Å; H213-T232 VanDerWaalsContact ND1-OG1 3.14Å; H213-Y245 PolarHBondContact CE1-O 3.07Å; H213-Y245 PolarHBondContact NE2-O 2.92Å; H213-N247 HydrophobicContact CB-CB 4.2Å; H213-N247 PolarHBondContact NE2-N 3.37Å; H213-N247 VanDerWaalsContact NE2-N 3.12Å; H213-T276 HydrophobicContact CB-CG2 4.3Å
214N94.5Very high91.8Very high58 Ų5847.6 Ų47.631%0.3123%0.229SC..THydrogen-bonded Turntrans64.243.7-167.5-17236.1000113.4A212 S216 F217 M233A212-N214 PolarHBondContact O-N 3.38Å; N214-S216 PolarHBondContact O-N 2.88Å; N214-S216 PolarHBondContact OD1-OG 3.39Å; N214-F217 WeakPolarHBondContact O-CB 3.43Å; N214-F217 PolarHBondContact O-N 3.24Å; N214-M233 HydrophobicContact CB-CE 3.95Å; N214-M233 HydrophobicContact CB-SD 4.27Å; N214-M233 WeakPolarHBondContact OD1-CE 3.42Å
215A95.6Very high91.8Very high3 Ų348.2 Ų48.23%0.02523%0.232CC..THydrogen-bonded Turntrans-43.7-24-177.800000117.6A212 F217 D218 R219 W229 C231A212-A215 HydrophobicContact CB-CB 3.87Å; A212-A215 PolarHBondContact O-N 2.83Å; A215-F217 PolarHBondContact O-N 2.99Å; A215-D218 PolarHBondContact O-N 2.83Å; A215-R219 WeakPolarHBondContact O-CB 3.46Å; A215-R219 PolarHBondContact O-N 3.3Å; A215-W229 HydrophobicContact CB-CD2 4.48Å; A215-W229 HydrophobicContact CB-CE3 3.71Å; A215-W229 HydrophobicContact CB-CZ3 4.36Å; A215-C231 HydrophobicContact CB-CB 3.95Å
216S92.3Very high91.8Very high72 Ų7248.7 Ų48.750%0.50324%0.244SC..THydrogen-bonded Turntrans-60.7-22.5172.270.90000114N214 R220N214-S216 PolarHBondContact O-N 2.88Å; N214-S216 PolarHBondContact OD1-OG 3.39Å; S216-R220 WeakPolarHBondContact O-CB 3.12Å; S216-R220 PolarHBondContact O-NH1 3.43Å; S216-R220 VanDerWaalsContact O-NH1 3.17Å
217F93.7Very high92.3Very high31 Ų3148.4 Ų48.414%0.13624%0.241CC..THydrogen-bonded Turntrans-75.2-59.9174.3-179.3-91.3000110.2T142 L145 N214 A215 R219 R220 V221T142-F217 HydrophobicContact CG2-CE1 3.97Å; T142-F217 HydrophobicContact CG2-CZ 3.99Å; T142-F217 WeakPolarHBondContact OG1-CZ 3.16Å; L145-F217 HydrophobicContact CD2-CE2 4.41Å; N214-F217 WeakPolarHBondContact O-CB 3.43Å; N214-F217 PolarHBondContact O-N 3.24Å; A215-F217 PolarHBondContact O-N 2.99Å; F217-R219 PolarHBondContact O-N 3.48Å; F217-R220 WeakPolarHBondContact O-CB 3.36Å; F217-R220 PolarHBondContact O-N 3.25Å; F217-V221 HydrophobicContact CD1-CG2 4.33Å; F217-V221 HydrophobicContact CE1-CG1 4.21Å; F217-V221 HydrophobicContact CE1-CG2 4.06Å; F217-V221 HydrophobicContact CE2-CG1 4.31Å; F217-V221 HydrophobicContact CZ-CG1 4.02Å; F217-V221 PolarHBondContact O-N 3.11Å; F217-V221 VanDerWaalsContact O-N 3.12Å
218D96.9Very high92.8Very high3 Ų353.7 Ų53.72%0.01627%0.266CS..Hα-helixtrans-57.2-47.7-178.3-54.9-89.9000111.4T140 A212 A215 R220 V221 L222 W229T140-D218 PolarHBondContact N-OD1 3.02Å; T140-D218 PolarHBondContact OG1-OD1 3.48Å; A212-D218 HydrophobicContact CB-CB 4.32Å; A215-D218 PolarHBondContact O-N 2.83Å; D218-R220 PolarHBondContact O-N 3.2Å; D218-R220 VanDerWaalsContact O-N 3.11Å; D218-V221 PolarHBondContact O-N 2.71Å; D218-V221 VanDerWaalsContact O-N 3.15Å; D218-L222 HydrophobicContact CB-CD1 4.1Å; D218-L222 VanDerWaalsContact O-CB 3.28Å; D218-L222 WeakPolarHBondContact O-CB 3.43Å; D218-L222 WeakPolarHBondContact O-CG 3.38Å; D218-L222 PolarHBondContact O-N 3.16Å; D218-W229 HydrophobicContact CB-CH2 3.76Å; D218-W229 HydrophobicContact CB-CZ3 3.93Å
219R94.1Very high93.4Very high162 Ų16248.8 Ų48.861%0.61124%0.242SC*.Hα-helixtrans-56.9-29.6176-176.5178.3176.11774.3113.5A215 F217 W229A215-R219 WeakPolarHBondContact O-CB 3.46Å; A215-R219 PolarHBondContact O-N 3.3Å; F217-R219 PolarHBondContact O-N 3.48Å; R219-W229 HydrophobicContact CB-CD2 4.19Å; R219-W229 HydrophobicContact CB-CG 4.45Å; R219-W229 HydrophobicContact CB-CZ2 4.19Å
220R93.6Very high93.6Very high148 Ų14848 Ų4856%0.55824%0.239SC*.Hα-helixtrans-83.7-34.6-179.5179.5-178.862.9-107.4-0.8112.2S216 F217 D218S216-R220 WeakPolarHBondContact O-CB 3.12Å; S216-R220 PolarHBondContact O-NH1 3.43Å; S216-R220 VanDerWaalsContact O-NH1 3.17Å; F217-R220 WeakPolarHBondContact O-CB 3.36Å; F217-R220 PolarHBondContact O-N 3.25Å; D218-R220 PolarHBondContact O-N 3.2Å; D218-R220 VanDerWaalsContact O-N 3.11Å
221V95.1Very high93.7Very high25 Ų2548.2 Ų48.215%0.15224%0.241CC..Hα-helixtrans-91.7-25.7-174.3-58.50000112.6T142 I149 F217 D218T142-V221 HydrophobicContact CG2-CB 4.45Å; T142-V221 HydrophobicContact CG2-CG2 4.16Å; I149-V221 HydrophobicContact CD1-CG2 4.47Å; I149-V221 WeakPolarHBondContact CD1-O 3.14Å; I149-V221 HydrophobicContact CG1-CG2 4.37Å; F217-V221 HydrophobicContact CD1-CG2 4.33Å; F217-V221 HydrophobicContact CE1-CG1 4.21Å; F217-V221 HydrophobicContact CE1-CG2 4.06Å; F217-V221 HydrophobicContact CE2-CG1 4.31Å; F217-V221 HydrophobicContact CZ-CG1 4.02Å; F217-V221 PolarHBondContact O-N 3.11Å; F217-V221 VanDerWaalsContact O-N 3.12Å; D218-V221 PolarHBondContact O-N 2.71Å; D218-V221 VanDerWaalsContact O-N 3.15Å
222L96Very high93.7Very high12 Ų1248.2 Ų48.26%0.06324%0.241CC..SBendtrans-79.6153.5175.2-71164.4000111.5I138 T140 I149 I152 I197 I201 D218 W229I138-L222 HydrophobicContact CG2-CD1 3.89Å; T140-L222 HydrophobicContact CG2-CD1 3.91Å; T140-L222 HydrophobicContact CG2-CD2 3.81Å; T140-L222 HydrophobicContact CG2-CG 3.92Å; I149-L222 HydrophobicContact CD1-CD2 3.49Å; I149-L222 VanDerWaalsContact CD1-CD2 3.49Å; I149-L222 HydrophobicContact CD1-CG 4.11Å; I152-L222 HydrophobicContact CD1-CD2 3.56Å; I152-L222 HydrophobicContact CG1-CD2 4.42Å; I197-L222 HydrophobicContact CD1-CD2 4.35Å; I201-L222 HydrophobicContact CD1-CD2 3.75Å; D218-L222 HydrophobicContact CB-CD1 4.1Å; D218-L222 VanDerWaalsContact O-CB 3.28Å; D218-L222 WeakPolarHBondContact O-CB 3.43Å; D218-L222 WeakPolarHBondContact O-CG 3.38Å; D218-L222 PolarHBondContact O-N 3.16Å; L222-W229 HydrophobicContact CD1-CH2 3.96Å; L222-W229 HydrophobicContact CD1-CZ2 4.29Å
223P92.5Very high93.6Very high40 Ų4049.4 Ų49.426%0.2625%0.247SC..PPolyproline II helixtrans-53.2163.8158.1-21.933.8000111.3I197 I201 M225I197-P223 HydrophobicContact CG1-CG 4.06Å; I197-P223 HydrophobicContact CG2-CG 4.34Å; I201-P223 HydrophobicContact CB-CG 4.4Å; I201-P223 HydrophobicContact CG1-CB 4.34Å; I201-P223 HydrophobicContact CG1-CG 4.2Å; I201-P223 HydrophobicContact CG2-CB 4.44Å; I201-P223 HydrophobicContact CG2-CG 4.23Å; P223-M225 PolarHBondContact O-N 2.94Å
224E90.2Very high93.5Very high180 Ų18050.4 Ų50.484%0.84125%0.251SS*.PPolyproline II helixtrans-58.3126178.9-171.7169.3-164.300111.2
225M87.1Confident93.6Very high13 Ų1347.7 Ų47.76%0.06424%0.236CC..PPolyproline II helixtrans-99.7134.3177.9-63.7-62.3-68.800109.4I201 Y205 Y210 P223 G227 W229I201-M225 HydrophobicContact CD1-CE 4.38Å; I201-M225 HydrophobicContact CD1-SD 3.5Å; I201-M225 WeakPolarHBondContact CD1-SD 3.3Å; I201-M225 HydrophobicContact CG1-SD 3.74Å; Y205-M225 HydrophobicContact CD1-CE 3.84Å; Y205-M225 HydrophobicContact CD1-SD 4.03Å; Y205-M225 HydrophobicContact CE1-CE 4.1Å; Y205-M225 HydrophobicContact CE1-SD 3.64Å; Y210-M225 HydrophobicContact CD1-CE 4.01Å; Y210-M225 HydrophobicContact CD2-CB 4.05Å; Y210-M225 HydrophobicContact CE1-CE 3.36Å; Y210-M225 HydrophobicContact CE2-CB 3.89Å; Y210-M225 HydrophobicContact CE2-CE 4.31Å; P223-M225 PolarHBondContact O-N 2.94Å; M225-G227 PolarHBondContact O-N 3.1Å; M225-W229 HydrophobicContact CB-CZ2 4.29Å; M225-W229 HydrophobicContact CG-CZ2 3.87Å
226P84.1Confident93.6Very high82 Ų8247.5 Ų47.553%0.53224%0.235SC..SBendtrans-81.658.9-173.334.9-37.7000112.7Y205Y205-P226 HydrophobicContact CD1-CG 3.82Å; Y205-P226 HydrophobicContact CE1-CG 4.39Å; Y205-P226 HydrophobicContact CG-CG 3.88Å
227G85.2Confident93.6Very high23 Ų2347.6 Ų47.624%0.23722%0.224CC..SBendtrans-174.3175.1-18000000113.4M225M225-G227 PolarHBondContact O-N 3.1Å
228E91.3Very high93.5Very high114 Ų11454 Ų5453%0.53325%0.247SC..EExtended strand (participates in β ladder)trans-87.8152.7-179.1-74.1-62129.500111.6E208 W209 Y210E208-E228 PolarHBondContact O-N 2.81Å; W209-E228 HydrophobicContact CE3-CB 3.67Å; W209-E228 HydrophobicContact CH2-CB 4.46Å; W209-E228 HydrophobicContact CZ3-CB 3.47Å; W209-E228 VanDerWaalsContact CZ3-CB 3.47Å; W209-E228 HydrophobicContact CZ3-CG 4.13Å; Y210-E228 PolarHBondContact N-O 2.81Å
229W95.5Very high93.4Very high18 Ų1855.8 Ų55.87%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-107.5133.9-175.3-76.582.1000112.7I138 Y210 A212 A215 D218 R219 L222 M225 T298I138-W229 HydrophobicContact CB-CH2 4.3Å; I138-W229 HydrophobicContact CB-CZ3 4.36Å; I138-W229 HydrophobicContact CG2-CH2 4.28Å; Y210-W229 CarbonylContact O-C 3.44Å; Y210-W229 VanDerWaalsContact O-CA 3.28Å; Y210-W229 WeakPolarHBondContact O-CA 3.29Å; A212-W229 HydrophobicContact CB-CE3 4.24Å; A212-W229 HydrophobicContact CB-CZ3 3.71Å; A215-W229 HydrophobicContact CB-CD2 4.48Å; A215-W229 HydrophobicContact CB-CE3 3.71Å; A215-W229 HydrophobicContact CB-CZ3 4.36Å; D218-W229 HydrophobicContact CB-CH2 3.76Å; D218-W229 HydrophobicContact CB-CZ3 3.93Å; R219-W229 HydrophobicContact CB-CD2 4.19Å; R219-W229 HydrophobicContact CB-CG 4.45Å; R219-W229 HydrophobicContact CB-CZ2 4.19Å; L222-W229 HydrophobicContact CD1-CH2 3.96Å; L222-W229 HydrophobicContact CD1-CZ2 4.29Å; M225-W229 HydrophobicContact CB-CZ2 4.29Å; M225-W229 HydrophobicContact CG-CZ2 3.87Å; W229-T298 VanDerWaalsContact O-CG2 3.3Å; W229-T298 WeakPolarHBondContact O-CG2 3.38Å
230I97.7Very high93.4Very high0 Ų049.6 Ų49.60%023%0.233CC..EExtended strand (participates in β ladder)trans-113.6131.5173.5-63.1171.2000109L135 W209 Y210 V211 A212 L235 A291 M294 A295L135-I230 HydrophobicContact CD2-CD1 3.97Å; W209-I230 HydrophobicContact CB-CD1 4.2Å; W209-I230 HydrophobicContact CD2-CD1 4.33Å; W209-I230 HydrophobicContact CE3-CD1 3.99Å; W209-I230 HydrophobicContact CE3-CG1 4.27Å; W209-I230 HydrophobicContact CG-CD1 4.46Å; Y210-I230 PolarHBondContact O-N 2.76Å; V211-I230 WeakPolarHBondContact CA-O 3.4Å; V211-I230 HydrophobicContact CB-CB 4.49Å; V211-I230 HydrophobicContact CG1-CB 4.29Å; V211-I230 HydrophobicContact CG1-CG2 4.19Å; V211-I230 HydrophobicContact CG2-CB 4.09Å; V211-I230 HydrophobicContact CG2-CD1 4.35Å; A212-I230 PolarHBondContact N-O 3.28Å; I230-L235 HydrophobicContact CG2-CD1 3.6Å; I230-L235 HydrophobicContact CG2-CG 4.35Å; I230-A291 HydrophobicContact CD1-CB 4.37Å; I230-M294 HydrophobicContact CD1-CB 4Å; I230-M294 HydrophobicContact CD1-CE 4.41Å; I230-M294 HydrophobicContact CG1-CB 4.27Å; I230-M294 HydrophobicContact CG2-CB 3.84Å; I230-A295 HydrophobicContact CG1-CB 4.13Å
231C97.8Very high93.1Very high5 Ų547.6 Ų47.63%0.03424%0.239CC..EExtended strand (participates in β ladder)trans-110.9103.2-176.7-177.50000111.4A212 A215 M233 K234 L235 T298A212-C231 WeakPolarHBondContact O-CA 3.48Å; A215-C231 HydrophobicContact CB-CB 3.95Å; C231-M233 PolarHBondContact O-N 2.82Å; C231-M233 VanDerWaalsContact O-N 3.13Å; C231-K234 HydrophobicContact CB-CB 4.13Å; C231-K234 HydrophobicContact CB-CD 4.4Å; C231-K234 HydrophobicContact CB-CG 4.2Å; C231-K234 PolarHBondContact O-N 2.81Å; C231-L235 WeakPolarHBondContact O-CG 3.49Å; C231-L235 PolarHBondContact O-N 3.35Å; C231-T298 HydrophobicContact CB-CG2 3.53Å; C231-T298 PolarHBondContact N-OG1 2.85Å
232T98Very high92.7Very high0 Ų050.1 Ų50.10%027%0.271CS..Hα-helixtrans-59.8-29.3-178.760.60000112.8V211 A212 H213 L235 A236 T276 L280V211-T232 HydrophobicContact CG1-CG2 3.56Å; A212-T232 PolarHBondContact O-N 2.67Å; H213-T232 WeakPolarHBondContact CA-OG1 3.5Å; H213-T232 PolarHBondContact ND1-OG1 2.99Å; H213-T232 VanDerWaalsContact ND1-OG1 3.14Å; T232-L235 PolarHBondContact O-N 2.81Å; T232-A236 WeakPolarHBondContact O-CB 3.34Å; T232-A236 PolarHBondContact O-N 3Å; T232-T276 HydrophobicContact CG2-CG2 3.9Å; T232-L280 HydrophobicContact CG2-CB 4.33Å; T232-L280 HydrophobicContact CG2-CD1 4.31Å
233M96.6Very high92.3Very high25 Ų2552.2 Ų52.212%0.12328%0.281CS..Hα-helixtrans-64-43173.6-171.6-174.457.700112N214 C231 R237N214-M233 HydrophobicContact CB-CE 3.95Å; N214-M233 HydrophobicContact CB-SD 4.27Å; N214-M233 WeakPolarHBondContact OD1-CE 3.42Å; C231-M233 PolarHBondContact O-N 2.82Å; C231-M233 VanDerWaalsContact O-N 3.13Å; M233-R237 WeakPolarHBondContact O-CG 3.45Å; M233-R237 PolarHBondContact O-N 3.14Å; M233-R237 PolarHBondContact SD-NH2 3.44Å
234K94.6Very high92.1Very high45 Ų4558.2 Ų58.220%0.19630%0.303CS..Hα-helixtrans-69.5-41.3177.3-76.1-169.8174.1-1690111.1C231 R237 R238 T298 R300C231-K234 HydrophobicContact CB-CB 4.13Å; C231-K234 HydrophobicContact CB-CD 4.4Å; C231-K234 HydrophobicContact CB-CG 4.2Å; C231-K234 PolarHBondContact O-N 2.81Å; K234-R237 PolarHBondContact O-N 3.29Å; K234-R238 PolarHBondContact O-N 2.76Å; K234-R238 VanDerWaalsContact O-N 3.08Å; K234-T298 VanDerWaalsContact CD-O 3.23Å; K234-T298 WeakPolarHBondContact CD-O 3.49Å; K234-T298 PolarHBondContact NZ-O 3.48Å; K234-R300 PolarHBondContact NZ-O 2.93Å
235L97Very high92.3Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-58.8-49.4174.1-61.9-176.8000111.4I230 C231 T232 R237 R238 L239 I283 W289 M294 I297I230-L235 HydrophobicContact CG2-CD1 3.6Å; I230-L235 HydrophobicContact CG2-CG 4.35Å; C231-L235 WeakPolarHBondContact O-CG 3.49Å; C231-L235 PolarHBondContact O-N 3.35Å; T232-L235 PolarHBondContact O-N 2.81Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 2.81Å; L235-R238 WeakPolarHBondContact O-CB 3.46Å; L235-R238 PolarHBondContact O-N 2.83Å; L235-R238 VanDerWaalsContact O-N 3.08Å; L235-L239 WeakPolarHBondContact O-CB 3.35Å; L235-L239 PolarHBondContact O-N 3.21Å; L235-I283 HydrophobicContact CB-CD1 4Å; L235-I283 HydrophobicContact CB-CG2 4.11Å; L235-I283 HydrophobicContact CD1-CD1 4.48Å; L235-I283 HydrophobicContact CD1-CG2 4.02Å; L235-W289 HydrophobicContact CB-CZ3 4.14Å; L235-W289 HydrophobicContact CD2-CE3 4.09Å; L235-W289 HydrophobicContact CD2-CZ3 3.99Å; L235-M294 HydrophobicContact CD1-CB 3.98Å; L235-M294 HydrophobicContact CD1-CG 3.77Å; L235-M294 HydrophobicContact CD1-SD 3.57Å; L235-M294 VanDerWaalsContact CD1-SD 3.57Å; L235-M294 HydrophobicContact CD2-CB 3.95Å; L235-M294 HydrophobicContact CD2-CG 4.01Å; L235-I297 HydrophobicContact CD2-CB 3.84Å; L235-I297 HydrophobicContact CD2-CD1 4.2Å; L235-I297 HydrophobicContact CD2-CG2 3.75Å
236A96.3Very high92.6Very high0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-61.9-39178.200000112.4T232 R238 L239 W240 Y245 L250T232-A236 WeakPolarHBondContact O-CB 3.34Å; T232-A236 PolarHBondContact O-N 3Å; A236-R238 VanDerWaalsContact C-N 3.28Å; A236-R238 PolarHBondContact O-N 2.97Å; A236-L239 PolarHBondContact O-N 2.89Å; A236-W240 HydrophobicContact CB-CE3 3.95Å; A236-W240 HydrophobicContact CB-CZ3 4.13Å; A236-W240 CarbonylContact O-C 3.35Å; A236-W240 WeakPolarHBondContact O-CA 3.36Å; A236-W240 PolarHBondContact O-N 3.12Å; A236-Y245 HydrophobicContact CB-CD1 4.24Å; A236-L250 HydrophobicContact CB-CD1 3.54Å; A236-L250 HydrophobicContact CB-CD2 4Å; A236-L250 HydrophobicContact CB-CG 4.43Å
237R92.9Very high93.1Very high74 Ų7451 Ų5128%0.27927%0.269SS..Hα-helixtrans-59.6-38.9172.9-81.4176.4-179.6154.54.8112.8M233 K234 L235 Y245M233-R237 WeakPolarHBondContact O-CG 3.45Å; M233-R237 PolarHBondContact O-N 3.14Å; M233-R237 PolarHBondContact SD-NH2 3.44Å; K234-R237 PolarHBondContact O-N 3.29Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 2.81Å; R237-Y245 VanDerWaalsContact CA-CE1 3.41Å; R237-Y245 HydrophobicContact CB-CD1 4.43Å; R237-Y245 HydrophobicContact CB-CE1 4.1Å; R237-Y245 HydrophobicContact CG-CD1 3.55Å; R237-Y245 HydrophobicContact CG-CD2 3.62Å; R237-Y245 HydrophobicContact CG-CE1 3.54Å; R237-Y245 HydrophobicContact CG-CE2 3.56Å; R237-Y245 HydrophobicContact CG-CG 3.62Å
238R91.5Very high93.4Very high165 Ų16551 Ų5162%0.62326%0.263SS*.Hα-helixtrans-72.9-41.9178.8-178.958.7176.1150.10.9111.8K234 L235 A236 W289 I297K234-R238 PolarHBondContact O-N 2.76Å; K234-R238 VanDerWaalsContact O-N 3.08Å; L235-R238 WeakPolarHBondContact O-CB 3.46Å; L235-R238 PolarHBondContact O-N 2.83Å; L235-R238 VanDerWaalsContact O-N 3.08Å; A236-R238 VanDerWaalsContact C-N 3.28Å; A236-R238 PolarHBondContact O-N 2.97Å; R238-W289 HydrophobicContact CB-CH2 4.18Å; R238-W289 HydrophobicContact CG-CH2 3.89Å; R238-W289 HydrophobicContact CG-CZ2 4.25Å; R238-I297 HydrophobicContact CB-CG2 4.22Å; R238-I297 HydrophobicContact CG-CG2 4.36Å
239L93.5Very high93.5Very high41 Ų4146.5 Ų46.522%0.21525%0.246CC..Hα-helixtrans-80.8-37-173.7-166.758.1000112.8L235 A236 I283 T286 W289L235-L239 WeakPolarHBondContact O-CB 3.35Å; L235-L239 PolarHBondContact O-N 3.21Å; A236-L239 PolarHBondContact O-N 2.89Å; L239-I283 HydrophobicContact CD2-CB 4.44Å; L239-I283 HydrophobicContact CD2-CG1 4.38Å; L239-I283 HydrophobicContact CD2-CG2 4.23Å; L239-T286 HydrophobicContact CD1-CG2 4.28Å; L239-T286 HydrophobicContact CD2-CG2 3.95Å; L239-T286 HydrophobicContact CG-CG2 4.27Å; L239-W289 HydrophobicContact CB-CH2 4.01Å; L239-W289 HydrophobicContact CB-CZ3 4.39Å; L239-W289 HydrophobicContact CD1-CH2 4.13Å; L239-W289 HydrophobicContact CD1-CZ2 4.38Å
240W94.1Very high93.6Very high32 Ų3245.7 Ų45.712%0.12124%0.242CC..SBendtrans-131.381.4-177.6-52.8-56.8000110.3A236 I243 Y245 R254 L279 D282 I283 T286A236-W240 HydrophobicContact CB-CE3 3.95Å; A236-W240 HydrophobicContact CB-CZ3 4.13Å; A236-W240 CarbonylContact O-C 3.35Å; A236-W240 WeakPolarHBondContact O-CA 3.36Å; A236-W240 PolarHBondContact O-N 3.12Å; W240-I243 HydrophobicContact CB-CD1 3.8Å; W240-I243 HydrophobicContact CB-CG1 4.37Å; W240-I243 WeakPolarHBondContact O-CG1 3.45Å; W240-Y245 WeakPolarHBondContact O-CE1 3.15Å; W240-Y245 PolarHBondContact O-OH 2.6Å; W240-R254 HydrophobicContact CH2-CG 4.34Å; W240-R254 VanDerWaalsContact CZ2-NE 3.26Å; W240-R254 HydrophobicContact CZ3-CG 4.25Å; W240-L279 HydrophobicContact CZ3-CD1 4.04Å; W240-D282 VanDerWaalsContact CH2-OD2 3.29Å; W240-D282 WeakPolarHBondContact CH2-OD2 3.29Å; W240-I283 HydrophobicContact CH2-CG1 3.61Å; W240-I283 HydrophobicContact CZ3-CD1 4.4Å; W240-I283 HydrophobicContact CZ3-CG1 3.67Å; W240-T286 HydrophobicContact CZ2-CG2 4.06Å
241P88.8Confident93.5Very high105 Ų10547.1 Ų47.168%0.68225%0.248SC*.THydrogen-bonded Turntrans-67.3149.6178.927.2-34000112.4Y245P241-Y245 VanDerWaalsContact C-OH 3.26Å; P241-Y245 WeakPolarHBondContact CA-OH 3.33Å
242G85Confident93.4Very high79 Ų7953.9 Ų53.981%0.81428%0.277SS*.THydrogen-bonded Turntrans83.515.717000000116.8Y245G242-Y245 PolarHBondContact N-OH 3.5Å
243I88.1Confident93.2Very high56 Ų5657.8 Ų57.829%0.28730%0.301SS..SBendtrans-117.3174.7-18065.4169.1000112.8W240 Y245 L250 T253W240-I243 HydrophobicContact CB-CD1 3.8Å; W240-I243 HydrophobicContact CB-CG1 4.37Å; W240-I243 WeakPolarHBondContact O-CG1 3.45Å; I243-Y245 HydrophobicContact CD1-CE1 4.48Å; I243-Y245 HydrophobicContact CG1-CD1 4.32Å; I243-Y245 HydrophobicContact CG1-CE1 3.69Å; I243-Y245 PolarHBondContact N-OH 3.4Å; I243-Y245 WeakPolarHBondContact O-CD2 3.05Å; I243-Y245 WeakPolarHBondContact O-CE2 3.25Å; I243-L250 HydrophobicContact CD1-CD2 3.59Å; I243-L250 HydrophobicContact CG1-CD2 4.25Å; I243-T253 HydrophobicContact CD1-CG2 4.29Å
244K89.4Confident93.2Very high165 Ų16560.2 Ų60.272%0.71731%0.308SS*.  trans-75.9129.3173.2-71.2-174.4179-179.10110A249 L250K244-A249 HydrophobicContact CB-CB 3.85Å; K244-L250 WeakPolarHBondContact O-CD2 3.4Å
245Y93.8Very high93.2Very high41 Ų4167.1 Ų67.116%0.16134%0.339CS..  trans-10513.2-171.9-61.6-70000114.9H213 A236 R237 W240 P241 G242 I243 L250H213-Y245 PolarHBondContact CE1-O 3.07Å; H213-Y245 PolarHBondContact NE2-O 2.92Å; A236-Y245 HydrophobicContact CB-CD1 4.24Å; R237-Y245 VanDerWaalsContact CA-CE1 3.41Å; R237-Y245 HydrophobicContact CB-CD1 4.43Å; R237-Y245 HydrophobicContact CB-CE1 4.1Å; R237-Y245 HydrophobicContact CG-CD1 3.55Å; R237-Y245 HydrophobicContact CG-CD2 3.62Å; R237-Y245 HydrophobicContact CG-CE1 3.54Å; R237-Y245 HydrophobicContact CG-CE2 3.56Å; R237-Y245 HydrophobicContact CG-CG 3.62Å; W240-Y245 WeakPolarHBondContact O-CE1 3.15Å; W240-Y245 PolarHBondContact O-OH 2.6Å; P241-Y245 VanDerWaalsContact C-OH 3.26Å; P241-Y245 WeakPolarHBondContact CA-OH 3.33Å; G242-Y245 PolarHBondContact N-OH 3.5Å; I243-Y245 HydrophobicContact CD1-CE1 4.48Å; I243-Y245 HydrophobicContact CG1-CD1 4.32Å; I243-Y245 HydrophobicContact CG1-CE1 3.69Å; I243-Y245 PolarHBondContact N-OH 3.4Å; I243-Y245 WeakPolarHBondContact O-CD2 3.05Å; I243-Y245 WeakPolarHBondContact O-CE2 3.25Å; Y245-L250 HydrophobicContact CD1-CD1 4.5Å; Y245-L250 HydrophobicContact CD1-CD2 4.03Å
246S93.2Very high93.2Very high70 Ų7068.6 Ų68.649%0.4935%0.346SS..SBendtrans-69148.3169.564.70000109.8M248 A249 L250S246-M248 VanDerWaalsContact C-N 3.32Å; S246-M248 PolarHBondContact O-N 3Å; S246-A249 PolarHBondContact O-N 3.3Å; S246-A249 WeakPolarHBondContact OG-CB 3.34Å; S246-A249 PolarHBondContact OG-N 3.1Å; S246-L250 PolarHBondContact O-N 3.32Å
247N93.8Very high93Very high12 Ų1275.9 Ų75.96%0.06439%0.385CS..Hα-helixtrans-50.4-52-174.4-159.118.9000112.2H213 A249 L250 Y251 T276H213-N247 HydrophobicContact CB-CB 4.2Å; H213-N247 PolarHBondContact NE2-N 3.37Å; H213-N247 VanDerWaalsContact NE2-N 3.12Å; N247-A249 PolarHBondContact O-N 2.92Å; N247-L250 PolarHBondContact O-N 3.22Å; N247-Y251 WeakPolarHBondContact O-CB 3.34Å; N247-Y251 PolarHBondContact O-N 2.99Å; N247-T276 PolarHBondContact ND2-OG1 3.42Å
248M93.2Very high93.1Very high24 Ų2473.5 Ų73.512%0.11838%0.379CS..Hα-helixtrans-68.1-31.4178.5-174.355.864.300113.6S246 Y251 K252 H266 Y271 I275S246-M248 VanDerWaalsContact C-N 3.32Å; S246-M248 PolarHBondContact O-N 3Å; M248-Y251 HydrophobicContact SD-CD1 4.17Å; M248-K252 HydrophobicContact CG-CD 4.32Å; M248-K252 WeakPolarHBondContact O-CB 3.3Å; M248-K252 VanDerWaalsContact O-CG 3.31Å; M248-K252 WeakPolarHBondContact O-CG 3.33Å; M248-K252 PolarHBondContact O-N 2.85Å; M248-K252 VanDerWaalsContact O-N 3.1Å; M248-K252 HydrophobicContact SD-CD 4.39Å; M248-K252 HydrophobicContact SD-CG 4.29Å; M248-H266 HydrophobicContact CE-CB 4.33Å; M248-Y271 HydrophobicContact CE-CE1 3.98Å; M248-I275 HydrophobicContact CE-CD1 4.33Å; M248-I275 HydrophobicContact CE-CG1 4.31Å
249A93.5Very high93.2Very high20 Ų2074 Ų7417%0.16539%0.388CS..Hα-helixtrans-68.6-44.3175.600000110.9K244 S246 N247 K252 T253K244-A249 HydrophobicContact CB-CB 3.85Å; S246-A249 PolarHBondContact O-N 3.3Å; S246-A249 WeakPolarHBondContact OG-CB 3.34Å; S246-A249 PolarHBondContact OG-N 3.1Å; N247-A249 PolarHBondContact O-N 2.92Å; A249-K252 PolarHBondContact O-N 2.78Å; A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.28Å; A249-T253 PolarHBondContact O-OG1 3.04Å; A249-T253 VanDerWaalsContact O-OG1 3.09Å
250L96.2Very high93.1Very high0 Ų073.6 Ų73.60%039%0.388CS..Hα-helixtrans-60.1-50.7174.6-69.7171.9000110.6A236 I243 K244 Y245 S246 N247 K252 T253 R254 L279A236-L250 HydrophobicContact CB-CD1 3.54Å; A236-L250 HydrophobicContact CB-CD2 4Å; A236-L250 HydrophobicContact CB-CG 4.43Å; I243-L250 HydrophobicContact CD1-CD2 3.59Å; I243-L250 HydrophobicContact CG1-CD2 4.25Å; K244-L250 WeakPolarHBondContact O-CD2 3.4Å; Y245-L250 HydrophobicContact CD1-CD1 4.5Å; Y245-L250 HydrophobicContact CD1-CD2 4.03Å; S246-L250 PolarHBondContact O-N 3.32Å; N247-L250 PolarHBondContact O-N 3.22Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 3.4Å; L250-T253 PolarHBondContact O-N 3.08Å; L250-R254 VanDerWaalsContact O-CB 3.22Å; L250-R254 WeakPolarHBondContact O-CB 3.48Å; L250-R254 WeakPolarHBondContact O-CG 3.47Å; L250-R254 PolarHBondContact O-N 3.27Å; L250-L279 HydrophobicContact CB-CD1 4.02Å; L250-L279 HydrophobicContact CB-CD2 4.08Å; L250-L279 HydrophobicContact CD1-CD2 3.77Å
251Y95.6Very high92.8Very high31 Ų3173.5 Ų73.512%0.12239%0.391CS..Hα-helixtrans-50.9-47.1177.2-179.5-92.1000112.6N247 M248 K255 L256 N257 V258 I275 A278N247-Y251 WeakPolarHBondContact O-CB 3.34Å; N247-Y251 PolarHBondContact O-N 2.99Å; M248-Y251 HydrophobicContact SD-CD1 4.17Å; Y251-K255 PolarHBondContact O-N 3.1Å; Y251-L256 HydrophobicContact CD2-CB 3.63Å; Y251-L256 HydrophobicContact CD2-CD1 4.09Å; Y251-L256 HydrophobicContact CD2-CG 4.38Å; Y251-L256 WeakPolarHBondContact CE1-O 3.46Å; Y251-L256 HydrophobicContact CE2-CB 3.57Å; Y251-L256 HydrophobicContact CG-CB 4.3Å; Y251-L256 VanDerWaalsContact CZ-O 3.22Å; Y251-L256 PolarHBondContact O-N 3.42Å; Y251-L256 VanDerWaalsContact O-N 3.11Å; Y251-L256 PolarHBondContact OH-O 3.14Å; Y251-N257 WeakPolarHBondContact OH-CA 3.49Å; Y251-V258 HydrophobicContact CE2-CG1 3.78Å; Y251-V258 PolarHBondContact OH-N 3.41Å; Y251-I275 HydrophobicContact CD1-CD1 4.32Å; Y251-I275 HydrophobicContact CD2-CB 4.44Å; Y251-I275 HydrophobicContact CD2-CD1 3.85Å; Y251-I275 HydrophobicContact CD2-CG2 3.73Å; Y251-I275 HydrophobicContact CE1-CD1 4.16Å; Y251-I275 HydrophobicContact CE2-CD1 3.67Å; Y251-I275 HydrophobicContact CG-CD1 4.17Å; Y251-I275 HydrophobicContact CG-CG2 3.84Å; Y251-A278 HydrophobicContact CE2-CB 4.26Å
252K95.3Very high92.7Very high146 Ų14674.8 Ų74.864%0.63540%0.4SS*.Hα-helixtrans-68.9-47.5178.2-72.2176.7179.61790112.9M248 A249 L250 R254 K255M248-K252 HydrophobicContact CG-CD 4.32Å; M248-K252 WeakPolarHBondContact O-CB 3.3Å; M248-K252 VanDerWaalsContact O-CG 3.31Å; M248-K252 WeakPolarHBondContact O-CG 3.33Å; M248-K252 PolarHBondContact O-N 2.85Å; M248-K252 VanDerWaalsContact O-N 3.1Å; M248-K252 HydrophobicContact SD-CD 4.39Å; M248-K252 HydrophobicContact SD-CG 4.29Å; A249-K252 PolarHBondContact O-N 2.78Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 3.4Å; K252-R254 VanDerWaalsContact C-N 3.27Å; K252-R254 PolarHBondContact O-N 3.12Å; K252-K255 PolarHBondContact O-N 3Å
253T95.2Very high92.8Very high82 Ų8274.9 Ų74.950%0.50340%0.4SS..Hα-helixtrans-62.9-36.9-179.7-67.50000111.5I243 A249 L250 K255I243-T253 HydrophobicContact CD1-CG2 4.29Å; A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.28Å; A249-T253 PolarHBondContact O-OG1 3.04Å; A249-T253 VanDerWaalsContact O-OG1 3.09Å; L250-T253 PolarHBondContact O-N 3.08Å; T253-K255 PolarHBondContact O-N 3.23Å
254R95.8Very high92.7Very high76 Ų7674.1 Ų74.129%0.28740%0.396SS..THydrogen-bonded Turntrans-78.9-4.1176-61.3-54.6-58.9166.71.2113.3W240 L250 K252 L256 D282W240-R254 HydrophobicContact CH2-CG 4.34Å; W240-R254 VanDerWaalsContact CZ2-NE 3.26Å; W240-R254 HydrophobicContact CZ3-CG 4.25Å; L250-R254 VanDerWaalsContact O-CB 3.22Å; L250-R254 WeakPolarHBondContact O-CB 3.48Å; L250-R254 WeakPolarHBondContact O-CG 3.47Å; L250-R254 PolarHBondContact O-N 3.27Å; K252-R254 VanDerWaalsContact C-N 3.27Å; K252-R254 PolarHBondContact O-N 3.12Å; R254-L256 HydrophobicContact CB-CD1 4.09Å; R254-L256 HydrophobicContact CB-CD2 3.87Å; R254-L256 HydrophobicContact CB-CG 3.67Å; R254-L256 PolarHBondContact O-N 3.14Å; R254-D282 IonicContact CZ-OD2 2.8Å; R254-D282 IonicContact NE-OD2 3.98Å; R254-D282 PolarHBondContact NE-OD2 3.37Å; R254-D282 IonicContact NH2-OD1 3.14Å; R254-D282 IonicContact NH2-OD2 3.92Å; R254-D282 PolarHBondContact NH2-OD2 3.2Å; R254-D282 VanDerWaalsContact NH2-OD2 3.14Å
255K95.5Very high92.7Very high190 Ų19068.9 Ų68.983%0.82637%0.374SS*.THydrogen-bonded Turntrans5339.4179.5-56.6179.8-178.6177.90112.3Y251 K252 T253Y251-K255 PolarHBondContact O-N 3.1Å; K252-K255 PolarHBondContact O-N 3Å; T253-K255 PolarHBondContact O-N 3.23Å
256L95.8Very high92.5Very high31 Ų3169.7 Ų69.716%0.16238%0.38CS..  trans-73.9154.1-179.3-54.3-179.5000110.3Y251 R254 A278 L279 D282Y251-L256 HydrophobicContact CD2-CB 3.63Å; Y251-L256 HydrophobicContact CD2-CD1 4.09Å; Y251-L256 HydrophobicContact CD2-CG 4.38Å; Y251-L256 WeakPolarHBondContact CE1-O 3.46Å; Y251-L256 HydrophobicContact CE2-CB 3.57Å; Y251-L256 HydrophobicContact CG-CB 4.3Å; Y251-L256 VanDerWaalsContact CZ-O 3.22Å; Y251-L256 PolarHBondContact O-N 3.42Å; Y251-L256 VanDerWaalsContact O-N 3.11Å; Y251-L256 PolarHBondContact OH-O 3.14Å; R254-L256 HydrophobicContact CB-CD1 4.09Å; R254-L256 HydrophobicContact CB-CD2 3.87Å; R254-L256 HydrophobicContact CB-CG 3.67Å; R254-L256 PolarHBondContact O-N 3.14Å; L256-A278 HydrophobicContact CD1-CB 4.43Å; L256-L279 HydrophobicContact CD1-CB 4.18Å; L256-L279 HydrophobicContact CD1-CD1 4.31Å; L256-D282 HydrophobicContact CD1-CB 4.2Å; L256-D282 HydrophobicContact CD2-CB 3.7Å
257N93.3Very high92.3Very high154 Ų15469.4 Ų69.482%0.82437%0.371SS*.  trans-135.6116.3175.4-173.518.6000109.3Y251Y251-N257 WeakPolarHBondContact OH-CA 3.49Å
258V95.2Very high92.4Very high23 Ų2370.8 Ų70.814%0.13938%0.375CS..  trans-132.7137.4174.4710000109.4I162 Y251 T260 Y274 I275 A278I162-V258 HydrophobicContact CD1-CG2 3.62Å; Y251-V258 HydrophobicContact CE2-CG1 3.78Å; Y251-V258 PolarHBondContact OH-N 3.41Å; V258-T260 HydrophobicContact CG1-CG2 4.23Å; V258-T260 PolarHBondContact O-N 3.35Å; V258-Y274 HydrophobicContact CG2-CD1 3.97Å; V258-I275 HydrophobicContact CG1-CD1 4.01Å; V258-A278 HydrophobicContact CB-CB 3.83Å; V258-A278 HydrophobicContact CG1-CB 4.06Å; V258-A278 HydrophobicContact CG2-CB 4.27Å
259Q92Very high92.6Very high175 Ų17569.7 Ų69.782%0.81837%0.369SS*.PPolyproline II helixtrans-79.5117.1172.7-174.8175.9-3.400109.1Y274Q259-Y274 WeakPolarHBondContact O-CD1 3.33Å
260T91.2Very high92.8Very high34 Ų3469.5 Ų69.521%0.20937%0.365CS..PPolyproline II helixtrans-93.4157.5175.458.80000111V258 Y271 I275V258-T260 HydrophobicContact CG1-CG2 4.23Å; V258-T260 PolarHBondContact O-N 3.35Å; T260-Y271 HydrophobicContact CG2-CD2 3.78Å; T260-Y271 HydrophobicContact CG2-CE2 3.64Å; T260-Y271 HydrophobicContact CG2-CG 4.33Å; T260-Y271 WeakPolarHBondContact OG1-CE2 3.3Å; T260-I275 HydrophobicContact CG2-CD1 4.48Å
261P88.3Confident92.8Very high30 Ų3071.7 Ų71.720%0.19537%0.374CS..PPolyproline II helixtrans-57142.3175-23.533.1000112.2L264 L270 Y274P261-L264 HydrophobicContact CB-CD1 3.9Å; P261-L264 HydrophobicContact CB-CG 4.4Å; P261-L264 HydrophobicContact CG-CD1 4.04Å; P261-L270 HydrophobicContact CG-CD2 4.02Å; P261-L270 HydrophobicContact CG-CG 4.33Å; P261-Y274 HydrophobicContact CG-CD2 4.26Å; P261-Y274 HydrophobicContact CG-CE2 3.64Å
262P87.2Confident92.9Very high132 Ų13270.7 Ų70.786%0.85737%0.371SS*.THydrogen-bonded Turntrans-65.5144.2-179.227.8-34.3000111.2L264P262-L264 VanDerWaalsContact C-N 3.27Å; P262-L264 PolarHBondContact O-N 3.2Å
263G86.4Confident93Very high80 Ų8063.7 Ų63.783%0.82534%0.34SS*.THydrogen-bonded Turntrans81.3-4.4177.500000115.4
264L87.5Confident93.1Very high40 Ų4061.3 Ų61.321%0.20932%0.322CS..  trans-91.1148.8169.9-60.7-178.5000111.5P261 P262 R268 L270 Y271P261-L264 HydrophobicContact CB-CD1 3.9Å; P261-L264 HydrophobicContact CB-CG 4.4Å; P261-L264 HydrophobicContact CG-CD1 4.04Å; P262-L264 VanDerWaalsContact C-N 3.27Å; P262-L264 PolarHBondContact O-N 3.2Å; L264-R268 HydrophobicContact CD2-CB 4.26Å; L264-R268 HydrophobicContact CD2-CG 4.37Å; L264-L270 HydrophobicContact CD1-CB 3.85Å; L264-L270 HydrophobicContact CD1-CD2 3.99Å; L264-L270 HydrophobicContact CD1-CG 4.06Å; L264-Y271 HydrophobicContact CB-CD2 4.19Å
265H89.5Confident93.2Very high55 Ų5557.8 Ų57.826%0.25531%0.309SS..  trans-124.1166.1177.760.3-82.8000110.8H184 H267 R268 Y271H184-H265 PolarHBondContact O-NE2 3.11Å; H265-H267 PolarHBondContact O-N 2.8Å; H265-R268 VanDerWaalsContact CE1-CG 3.47Å; H265-R268 WeakPolarHBondContact CE1-CG 3.29Å; H265-R268 WeakPolarHBondContact O-CB 3.1Å; H265-R268 PolarHBondContact O-N 3.24Å; H265-Y271 WeakPolarHBondContact O-CB 3.38Å
266H88.8Confident93.4Very high58 Ų5848.7 Ų48.727%0.26927%0.27SS..THydrogen-bonded Turntrans-54.1136.3174.2-175.638.5000111.3M248 Y271 D272M248-H266 HydrophobicContact CE-CB 4.33Å; H266-Y271 HydrophobicContact CB-CD1 4.4Å; H266-Y271 HydrophobicContact CB-CE1 4.09Å; H266-D272 IonicContact CE1-OD1 2.7Å; H266-D272 IonicContact CE1-OD2 3Å; H266-D272 PolarHBondContact CE1-OD2 2.87Å; H266-D272 IonicContact CG-OD1 3.8Å; H266-D272 IonicContact ND1-OD1 3.72Å; H266-D272 PolarHBondContact ND1-OD1 3.49Å; H266-D272 IonicContact ND1-OD2 3.18Å; H266-D272 PolarHBondContact ND1-OD2 3.31Å
267H89.9Confident93.5Very high65 Ų6547.2 Ų47.230%0.30126%0.262SS..THydrogen-bonded Turntrans73.526-168.4-47.8-64.1000114.9E141 I183 H184 H265 D272E141-H267 VanDerWaalsContact OE1-CA 3.25Å; E141-H267 WeakPolarHBondContact OE1-CA 3.12Å; E141-H267 VanDerWaalsContact OE1-O 3.06Å; I183-H267 HydrophobicContact CG2-CB 3.67Å; H184-H267 WeakPolarHBondContact CA-O 3.4Å; H184-H267 HydrophobicContact CB-CB 4.35Å; H184-H267 WeakPolarHBondContact CB-O 3.26Å; H265-H267 PolarHBondContact O-N 2.8Å; H267-D272 PolarHBondContact N-OD1 2.92Å; H267-D272 VanDerWaalsContact N-OD1 3.1Å
268R96Very high93.7Very high41 Ų4140.5 Ų40.516%0.15523%0.228CC..SBendtrans-104.9134.7154.5-69.7-62.5-56.3-79.8-5.4106.5E151 H184 L264 H265 L270 Y271 D272E151-R268 IonicContact OE1-CZ 3.61Å; E151-R268 IonicContact OE1-NE 3.19Å; E151-R268 PolarHBondContact OE1-NE 2.81Å; E151-R268 IonicContact OE1-NH2 2.73Å; E151-R268 PolarHBondContact OE1-NH2 3.27Å; E151-R268 IonicContact OE2-CZ 3.31Å; E151-R268 IonicContact OE2-NE 3.95Å; E151-R268 PolarHBondContact OE2-NE 2.94Å; E151-R268 IonicContact OE2-NH2 3.17Å; H184-R268 WeakPolarHBondContact O-CD 3.47Å; L264-R268 HydrophobicContact CD2-CB 4.26Å; L264-R268 HydrophobicContact CD2-CG 4.37Å; H265-R268 VanDerWaalsContact CE1-CG 3.47Å; H265-R268 WeakPolarHBondContact CE1-CG 3.29Å; H265-R268 WeakPolarHBondContact O-CB 3.1Å; H265-R268 PolarHBondContact O-N 3.24Å; R268-L270 VanDerWaalsContact C-N 3.25Å; R268-L270 PolarHBondContact O-N 3.48Å; R268-L270 VanDerWaalsContact O-N 3.15Å; R268-Y271 WeakPolarHBondContact O-CA 3.3Å; R268-Y271 WeakPolarHBondContact O-CB 3.3Å; R268-Y271 PolarHBondContact O-N 3.15Å; R268-D272 PolarHBondContact O-N 2.92Å
269A96.5Very high93.9Very high0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-56.4-43.7-168.300000111.7D139 E141 E151 A153 Y271 D272 C273D139-A269 HydrophobicContact CB-CB 4.35Å; D139-A269 WeakPolarHBondContact OD2-CA 3.16Å; E141-A269 HydrophobicContact CG-CB 4.22Å; E151-A269 HydrophobicContact CB-CB 4.22Å; E151-A269 HydrophobicContact CG-CB 3.72Å; E151-A269 PolarHBondContact OE2-N 2.87Å; A153-A269 VanDerWaalsContact CB-C 3.43Å; A153-A269 HydrophobicContact CB-CB 3.53Å; A269-Y271 PolarHBondContact O-N 3.02Å; A269-D272 PolarHBondContact O-N 2.87Å; A269-C273 PolarHBondContact O-N 3.04Å; A269-C273 PolarHBondContact O-SG 3.15Å
270L96.9Very high94.1Very high16 Ų1631.1 Ų31.18%0.08418%0.182CC..Hα-helixtrans-67.5-36.7179.5-175.860.6000112A153 V155 P165 P261 L264 R268 C273 Y274A153-L270 VanDerWaalsContact CB-CA 3.42Å; A153-L270 HydrophobicContact CB-CB 3.72Å; A153-L270 HydrophobicContact CB-CD1 4.24Å; V155-L270 HydrophobicContact CG1-CD1 3.8Å; P165-L270 HydrophobicContact CB-CD1 3.9Å; P165-L270 HydrophobicContact CB-CD2 4.22Å; P261-L270 HydrophobicContact CG-CD2 4.02Å; P261-L270 HydrophobicContact CG-CG 4.33Å; L264-L270 HydrophobicContact CD1-CB 3.85Å; L264-L270 HydrophobicContact CD1-CD2 3.99Å; L264-L270 HydrophobicContact CD1-CG 4.06Å; R268-L270 VanDerWaalsContact C-N 3.25Å; R268-L270 PolarHBondContact O-N 3.48Å; R268-L270 VanDerWaalsContact O-N 3.15Å; L270-C273 HydrophobicContact CD1-CB 4.48Å; L270-C273 WeakPolarHBondContact O-CB 3.32Å; L270-C273 PolarHBondContact O-N 3.33Å; L270-Y274 HydrophobicContact CD1-CD2 4.25Å; L270-Y274 HydrophobicContact CD1-CE2 3.9Å; L270-Y274 HydrophobicContact CG-CD2 4.39Å; L270-Y274 HydrophobicContact CG-CE2 4.12Å; L270-Y274 VanDerWaalsContact O-CD2 3.29Å; L270-Y274 WeakPolarHBondContact O-CD2 3.31Å; L270-Y274 PolarHBondContact O-N 2.93Å
271Y97.1Very high94.4Very high46 Ų4630.9 Ų30.918%0.1818%0.179CC..Hα-helixtrans-61.2-49.4175.1-176.8-80.7000110.5M248 T260 L264 H265 H266 R268 A269 C273 Y274 I275M248-Y271 HydrophobicContact CE-CE1 3.98Å; T260-Y271 HydrophobicContact CG2-CD2 3.78Å; T260-Y271 HydrophobicContact CG2-CE2 3.64Å; T260-Y271 HydrophobicContact CG2-CG 4.33Å; T260-Y271 WeakPolarHBondContact OG1-CE2 3.3Å; L264-Y271 HydrophobicContact CB-CD2 4.19Å; H265-Y271 WeakPolarHBondContact O-CB 3.38Å; H266-Y271 HydrophobicContact CB-CD1 4.4Å; H266-Y271 HydrophobicContact CB-CE1 4.09Å; R268-Y271 WeakPolarHBondContact O-CA 3.3Å; R268-Y271 WeakPolarHBondContact O-CB 3.3Å; R268-Y271 PolarHBondContact O-N 3.15Å; A269-Y271 PolarHBondContact O-N 3.02Å; Y271-C273 VanDerWaalsContact C-N 3.27Å; Y271-C273 PolarHBondContact O-N 3Å; Y271-Y274 PolarHBondContact O-N 3.13Å; Y271-Y274 VanDerWaalsContact O-N 3.13Å; Y271-I275 HydrophobicContact CD1-CG1 3.91Å; Y271-I275 HydrophobicContact CE1-CD1 3.9Å; Y271-I275 HydrophobicContact CE1-CG1 3.64Å; Y271-I275 WeakPolarHBondContact O-CG1 3.21Å; Y271-I275 PolarHBondContact O-N 3.31Å
272D97.3Very high94.8Very high10 Ų1030.8 Ų30.85%0.05318%0.177CC..Hα-helixtrans-68.8-25.9-177.9-81.625.9000111.8H266 H267 R268 A269 I275 T276H266-D272 IonicContact CE1-OD1 2.7Å; H266-D272 IonicContact CE1-OD2 3Å; H266-D272 PolarHBondContact CE1-OD2 2.87Å; H266-D272 IonicContact CG-OD1 3.8Å; H266-D272 IonicContact ND1-OD1 3.72Å; H266-D272 PolarHBondContact ND1-OD1 3.49Å; H266-D272 IonicContact ND1-OD2 3.18Å; H266-D272 PolarHBondContact ND1-OD2 3.31Å; H267-D272 PolarHBondContact N-OD1 2.92Å; H267-D272 VanDerWaalsContact N-OD1 3.1Å; R268-D272 PolarHBondContact O-N 2.92Å; A269-D272 PolarHBondContact O-N 2.87Å; D272-I275 PolarHBondContact O-N 3.44Å; D272-T276 WeakPolarHBondContact O-CB 3.46Å; D272-T276 PolarHBondContact O-N 3.26Å; D272-T276 PolarHBondContact O-OG1 3.07Å
273C97.9Very high95.3Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-59-47.5167-75.80000112.6I137 D139 A153 V155 A269 L270 Y271 I275 T276 A277I137-C273 HydrophobicContact CG2-CB 4.26Å; D139-C273 WeakPolarHBondContact CB-SG 3.45Å; D139-C273 PolarHBondContact N-SG 3.44Å; A153-C273 VanDerWaalsContact C-SG 3.54Å; A153-C273 PolarHBondContact O-SG 2.9Å; A153-C273 VanDerWaalsContact O-SG 3.4Å; V155-C273 HydrophobicContact CG1-CB 4.18Å; V155-C273 HydrophobicContact CG2-CB 4.07Å; A269-C273 PolarHBondContact O-N 3.04Å; A269-C273 PolarHBondContact O-SG 3.15Å; L270-C273 HydrophobicContact CD1-CB 4.48Å; L270-C273 WeakPolarHBondContact O-CB 3.32Å; L270-C273 PolarHBondContact O-N 3.33Å; Y271-C273 VanDerWaalsContact C-N 3.27Å; Y271-C273 PolarHBondContact O-N 3Å; C273-I275 VanDerWaalsContact C-N 3.32Å; C273-I275 PolarHBondContact O-N 3.02Å; C273-T276 PolarHBondContact O-N 3.33Å; C273-A277 VanDerWaalsContact O-CB 3.27Å; C273-A277 WeakPolarHBondContact O-CB 3.39Å; C273-A277 PolarHBondContact O-N 3.1Å
274Y98Very high95.7Very high32 Ų3223.5 Ų23.513%0.12511%0.111CC..Hα-helixtrans-63.5-39.2178-85-98.9000111.8V155 I162 P165 V258 Q259 P261 L270 Y271 A277 A278V155-Y274 HydrophobicContact CG1-CD2 3.83Å; V155-Y274 HydrophobicContact CG1-CE2 3.57Å; I162-Y274 HydrophobicContact CD1-CD1 4.17Å; I162-Y274 HydrophobicContact CG2-CD1 4.02Å; I162-Y274 HydrophobicContact CG2-CE1 3.81Å; P165-Y274 HydrophobicContact CB-CE2 4.25Å; V258-Y274 HydrophobicContact CG2-CD1 3.97Å; Q259-Y274 WeakPolarHBondContact O-CD1 3.33Å; P261-Y274 HydrophobicContact CG-CD2 4.26Å; P261-Y274 HydrophobicContact CG-CE2 3.64Å; L270-Y274 HydrophobicContact CD1-CD2 4.25Å; L270-Y274 HydrophobicContact CD1-CE2 3.9Å; L270-Y274 HydrophobicContact CG-CD2 4.39Å; L270-Y274 HydrophobicContact CG-CE2 4.12Å; L270-Y274 VanDerWaalsContact O-CD2 3.29Å; L270-Y274 WeakPolarHBondContact O-CD2 3.31Å; L270-Y274 PolarHBondContact O-N 2.93Å; Y271-Y274 PolarHBondContact O-N 3.13Å; Y271-Y274 VanDerWaalsContact O-N 3.13Å; Y274-A277 PolarHBondContact O-N 2.89Å; Y274-A278 WeakPolarHBondContact O-CB 3.23Å; Y274-A278 PolarHBondContact O-N 3.48Å
275I97.8Very high96Very high1 Ų127.8 Ų27.81%0.00513%0.134CC..Hα-helixtrans-63.2-46.8176.2-60.1-62.1000110.4M248 Y251 V258 T260 Y271 D272 C273 A278 L279M248-I275 HydrophobicContact CE-CD1 4.33Å; M248-I275 HydrophobicContact CE-CG1 4.31Å; Y251-I275 HydrophobicContact CD1-CD1 4.32Å; Y251-I275 HydrophobicContact CD2-CB 4.44Å; Y251-I275 HydrophobicContact CD2-CD1 3.85Å; Y251-I275 HydrophobicContact CD2-CG2 3.73Å; Y251-I275 HydrophobicContact CE1-CD1 4.16Å; Y251-I275 HydrophobicContact CE2-CD1 3.67Å; Y251-I275 HydrophobicContact CG-CD1 4.17Å; Y251-I275 HydrophobicContact CG-CG2 3.84Å; V258-I275 HydrophobicContact CG1-CD1 4.01Å; T260-I275 HydrophobicContact CG2-CD1 4.48Å; Y271-I275 HydrophobicContact CD1-CG1 3.91Å; Y271-I275 HydrophobicContact CE1-CD1 3.9Å; Y271-I275 HydrophobicContact CE1-CG1 3.64Å; Y271-I275 WeakPolarHBondContact O-CG1 3.21Å; Y271-I275 PolarHBondContact O-N 3.31Å; D272-I275 PolarHBondContact O-N 3.44Å; C273-I275 VanDerWaalsContact C-N 3.32Å; C273-I275 PolarHBondContact O-N 3.02Å; I275-A278 PolarHBondContact O-N 3.47Å; I275-L279 WeakPolarHBondContact O-CB 3.37Å; I275-L279 PolarHBondContact O-N 2.73Å
276T98.4Very high96.4Very high0 Ų028.2 Ų28.20%014%0.141CC..Hα-helixtrans-64.8-39.2177.8-57.60000111.8I137 H213 T232 N247 D272 C273 L279 L280I137-T276 HydrophobicContact CG2-CG2 3.66Å; H213-T276 HydrophobicContact CB-CG2 4.3Å; T232-T276 HydrophobicContact CG2-CG2 3.9Å; N247-T276 PolarHBondContact ND2-OG1 3.42Å; D272-T276 WeakPolarHBondContact O-CB 3.46Å; D272-T276 PolarHBondContact O-N 3.26Å; D272-T276 PolarHBondContact O-OG1 3.07Å; C273-T276 PolarHBondContact O-N 3.33Å; T276-L279 WeakPolarHBondContact O-CB 3.39Å; T276-L279 PolarHBondContact O-N 2.77Å; T276-L280 WeakPolarHBondContact O-CB 3.22Å; T276-L280 PolarHBondContact O-N 3.16Å
277A98.2Very high96.7Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-66.2-43.1177.400000111.9I137 V155 V157 I162 C273 Y274 L279 L280 I281I137-A277 HydrophobicContact CD1-CB 3.82Å; I137-A277 HydrophobicContact CG1-CB 3.9Å; V155-A277 HydrophobicContact CG2-CB 3.67Å; V157-A277 HydrophobicContact CG2-CB 3.9Å; I162-A277 HydrophobicContact CD1-CB 3.71Å; I162-A277 HydrophobicContact CG1-CB 3.92Å; I162-A277 HydrophobicContact CG2-CB 4.5Å; C273-A277 VanDerWaalsContact O-CB 3.27Å; C273-A277 WeakPolarHBondContact O-CB 3.39Å; C273-A277 PolarHBondContact O-N 3.1Å; Y274-A277 PolarHBondContact O-N 2.89Å; A277-L279 VanDerWaalsContact C-N 3.3Å; A277-L279 PolarHBondContact O-N 3.06Å; A277-L280 PolarHBondContact O-N 3.42Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.43Å; A277-I281 PolarHBondContact O-N 3.01Å
278A97.9Very high96.8Very high13 Ų1326.8 Ų26.811%0.10715%0.154CC..Hα-helixtrans-61-41.5173.500000111.8Y251 L256 V258 Y274 I275 I281 D282Y251-A278 HydrophobicContact CE2-CB 4.26Å; L256-A278 HydrophobicContact CD1-CB 4.43Å; V258-A278 HydrophobicContact CB-CB 3.83Å; V258-A278 HydrophobicContact CG1-CB 4.06Å; V258-A278 HydrophobicContact CG2-CB 4.27Å; Y274-A278 WeakPolarHBondContact O-CB 3.23Å; Y274-A278 PolarHBondContact O-N 3.48Å; I275-A278 PolarHBondContact O-N 3.47Å; A278-I281 PolarHBondContact O-N 2.96Å; A278-D282 PolarHBondContact O-N 3Å
279L98.3Very high96.6Very high0 Ų027.3 Ų27.30%016%0.156CC..Hα-helixtrans-63.4-43.3174.7176.963.8000111.9W240 L250 L256 I275 T276 A277 D282 I283W240-L279 HydrophobicContact CZ3-CD1 4.04Å; L250-L279 HydrophobicContact CB-CD1 4.02Å; L250-L279 HydrophobicContact CB-CD2 4.08Å; L250-L279 HydrophobicContact CD1-CD2 3.77Å; L256-L279 HydrophobicContact CD1-CB 4.18Å; L256-L279 HydrophobicContact CD1-CD1 4.31Å; I275-L279 WeakPolarHBondContact O-CB 3.37Å; I275-L279 PolarHBondContact O-N 2.73Å; T276-L279 WeakPolarHBondContact O-CB 3.39Å; T276-L279 PolarHBondContact O-N 2.77Å; A277-L279 VanDerWaalsContact C-N 3.3Å; A277-L279 PolarHBondContact O-N 3.06Å; L279-D282 PolarHBondContact O-N 2.92Å; L279-I283 HydrophobicContact CD1-CD1 4.19Å; L279-I283 HydrophobicContact CD1-CG1 4.39Å; L279-I283 HydrophobicContact CG-CD1 3.9Å; L279-I283 VanDerWaalsContact O-CG1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.39Å; L279-I283 PolarHBondContact O-N 3Å
280L98Very high96.3Very high0 Ų030.4 Ų30.40%018%0.175CC..Hα-helixtrans-60.9-45.4177.1178.865.5000111.3L135 I137 V211 T232 T276 A277 D282 I283 M284 M294L135-L280 HydrophobicContact CB-CD2 3.98Å; L135-L280 HydrophobicContact CD1-CD2 3.77Å; L135-L280 HydrophobicContact CD1-CG 4.33Å; L135-L280 HydrophobicContact CG-CD2 4.48Å; I137-L280 HydrophobicContact CD1-CD2 3.92Å; I137-L280 HydrophobicContact CG1-CD2 4.14Å; V211-L280 HydrophobicContact CB-CD2 4.27Å; V211-L280 HydrophobicContact CG1-CD1 4.09Å; V211-L280 HydrophobicContact CG1-CD2 3.96Å; V211-L280 HydrophobicContact CG1-CG 4.5Å; V211-L280 HydrophobicContact CG2-CD2 3.97Å; T232-L280 HydrophobicContact CG2-CB 4.33Å; T232-L280 HydrophobicContact CG2-CD1 4.31Å; T276-L280 WeakPolarHBondContact O-CB 3.22Å; T276-L280 PolarHBondContact O-N 3.16Å; A277-L280 PolarHBondContact O-N 3.42Å; L280-D282 VanDerWaalsContact C-N 3.34Å; L280-D282 PolarHBondContact O-N 3.04Å; L280-I283 WeakPolarHBondContact O-CB 3.38Å; L280-I283 PolarHBondContact O-N 3.15Å; L280-M284 HydrophobicContact CD1-CG 4.44Å; L280-M284 HydrophobicContact CD1-SD 4.49Å; L280-M284 HydrophobicContact CG-SD 4.17Å; L280-M284 WeakPolarHBondContact O-CG 3.43Å; L280-M284 PolarHBondContact O-N 3.3Å; L280-M294 HydrophobicContact CD1-CE 4.32Å; L280-M294 HydrophobicContact CD1-SD 3.89Å
281I96.5Very high96Very high29 Ų2929.9 Ų29.915%0.14917%0.174CC..Hα-helixtrans-60.4-43.2176.5-67.5161.7000110.7V157 G160 I162 A277 A278 M284 N285V157-I281 HydrophobicContact CG1-CD1 4.26Å; V157-I281 HydrophobicContact CG1-CG1 3.87Å; V157-I281 HydrophobicContact CG2-CD1 3.99Å; V157-I281 HydrophobicContact CG2-CG1 4.12Å; G160-I281 WeakPolarHBondContact O-CD1 3.37Å; I162-I281 HydrophobicContact CD1-CD1 4.37Å; I162-I281 HydrophobicContact CG1-CD1 3.93Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.43Å; A277-I281 PolarHBondContact O-N 3.01Å; A278-I281 PolarHBondContact O-N 2.96Å; I281-M284 PolarHBondContact O-N 3.16Å; I281-N285 WeakPolarHBondContact CG2-ND2 3.39Å; I281-N285 WeakPolarHBondContact O-CB 3.32Å; I281-N285 PolarHBondContact O-N 3.14Å; I281-N285 PolarHBondContact O-ND2 2.87Å
282D97.3Very high95.6Very high28 Ų2832.1 Ų32.115%0.1519%0.186CC..Hα-helixtrans-63.2-41.2174.9-176.347.8000112.3W240 R254 L256 A278 L279 L280 N285 T286W240-D282 VanDerWaalsContact CH2-OD2 3.29Å; W240-D282 WeakPolarHBondContact CH2-OD2 3.29Å; R254-D282 IonicContact CZ-OD2 2.8Å; R254-D282 IonicContact NE-OD2 3.98Å; R254-D282 PolarHBondContact NE-OD2 3.37Å; R254-D282 IonicContact NH2-OD1 3.14Å; R254-D282 IonicContact NH2-OD2 3.92Å; R254-D282 PolarHBondContact NH2-OD2 3.2Å; R254-D282 VanDerWaalsContact NH2-OD2 3.14Å; L256-D282 HydrophobicContact CD1-CB 4.2Å; L256-D282 HydrophobicContact CD2-CB 3.7Å; A278-D282 PolarHBondContact O-N 3Å; L279-D282 PolarHBondContact O-N 2.92Å; L280-D282 VanDerWaalsContact C-N 3.34Å; L280-D282 PolarHBondContact O-N 3.04Å; D282-N285 PolarHBondContact O-N 3.06Å; D282-T286 WeakPolarHBondContact O-CB 3.37Å; D282-T286 PolarHBondContact O-N 2.84Å; D282-T286 PolarHBondContact O-OG1 3.23Å; D282-T286 PolarHBondContact OD1-OG1 3.05Å
283I97.3Very high95.2Very high0 Ų035.9 Ų35.90%020%0.203CC..Hα-helixtrans-60.1-49.9175-72164.2000110.2L235 L239 W240 L279 L280 T286 S287 W289 M294L235-I283 HydrophobicContact CB-CD1 4Å; L235-I283 HydrophobicContact CB-CG2 4.11Å; L235-I283 HydrophobicContact CD1-CD1 4.48Å; L235-I283 HydrophobicContact CD1-CG2 4.02Å; L239-I283 HydrophobicContact CD2-CB 4.44Å; L239-I283 HydrophobicContact CD2-CG1 4.38Å; L239-I283 HydrophobicContact CD2-CG2 4.23Å; W240-I283 HydrophobicContact CH2-CG1 3.61Å; W240-I283 HydrophobicContact CZ3-CD1 4.4Å; W240-I283 HydrophobicContact CZ3-CG1 3.67Å; L279-I283 HydrophobicContact CD1-CD1 4.19Å; L279-I283 HydrophobicContact CD1-CG1 4.39Å; L279-I283 HydrophobicContact CG-CD1 3.9Å; L279-I283 VanDerWaalsContact O-CG1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.39Å; L279-I283 PolarHBondContact O-N 3Å; L280-I283 WeakPolarHBondContact O-CB 3.38Å; L280-I283 PolarHBondContact O-N 3.15Å; I283-T286 PolarHBondContact O-N 3.44Å; I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.29Å; I283-S287 PolarHBondContact O-N 2.76Å; I283-S287 PolarHBondContact O-OG 2.8Å; I283-W289 HydrophobicContact CG2-CE3 4.04Å; I283-W289 HydrophobicContact CG2-CZ3 4.13Å; I283-M294 HydrophobicContact CG2-SD 4.47Å
284M94.9Very high95.1Very high59 Ų5935.9 Ų35.929%0.29120%0.203SC..Hα-helixtrans-61.2-47.5180-70.3175.771.300111.2L135 L280 I281 T286 S287 G288 M294L135-M284 HydrophobicContact CD1-CE 3.97Å; L135-M284 HydrophobicContact CD1-SD 3.46Å; L135-M284 WeakPolarHBondContact CD1-SD 3.49Å; L280-M284 HydrophobicContact CD1-CG 4.44Å; L280-M284 HydrophobicContact CD1-SD 4.49Å; L280-M284 HydrophobicContact CG-SD 4.17Å; L280-M284 WeakPolarHBondContact O-CG 3.43Å; L280-M284 PolarHBondContact O-N 3.3Å; I281-M284 PolarHBondContact O-N 3.16Å; M284-T286 VanDerWaalsContact C-N 3.33Å; M284-T286 PolarHBondContact O-N 2.83Å; M284-S287 PolarHBondContact O-N 2.81Å; M284-G288 WeakPolarHBondContact O-CA 3.43Å; M284-G288 PolarHBondContact O-N 3.04Å; M284-M294 HydrophobicContact CG-CE 3.87Å; M284-M294 HydrophobicContact CG-SD 4.02Å; M284-M294 HydrophobicContact SD-CE 4.16Å
285N94.4Very high94.8Very high130 Ų13035.1 Ų35.170%0.69520%0.203SC*.Hα-helixtrans-65-35.8179.3-70.6-20.6000112.8I281 D282I281-N285 WeakPolarHBondContact CG2-ND2 3.39Å; I281-N285 WeakPolarHBondContact O-CB 3.32Å; I281-N285 PolarHBondContact O-N 3.14Å; I281-N285 PolarHBondContact O-ND2 2.87Å; D282-N285 PolarHBondContact O-N 3.06Å
286T96.5Very high94.4Very high65 Ų6540 Ų4040%0.39923%0.229SC..Hα-helixtrans-78.3-35.3-179.1-60.80000112.3L239 W240 D282 I283 M284L239-T286 HydrophobicContact CD1-CG2 4.28Å; L239-T286 HydrophobicContact CD2-CG2 3.95Å; L239-T286 HydrophobicContact CG-CG2 4.27Å; W240-T286 HydrophobicContact CZ2-CG2 4.06Å; D282-T286 WeakPolarHBondContact O-CB 3.37Å; D282-T286 PolarHBondContact O-N 2.84Å; D282-T286 PolarHBondContact O-OG1 3.23Å; D282-T286 PolarHBondContact OD1-OG1 3.05Å; I283-T286 PolarHBondContact O-N 3.44Å; M284-T286 VanDerWaalsContact C-N 3.33Å; M284-T286 PolarHBondContact O-N 2.83Å
287S95.8Very high94Very high31 Ų3141 Ų4122%0.21723%0.234CC..Hα-helixtrans-99.9-27.9-17264.90000114.7I283 M284 W289I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.29Å; I283-S287 PolarHBondContact O-N 2.76Å; I283-S287 PolarHBondContact O-OG 2.8Å; M284-S287 PolarHBondContact O-N 2.81Å; S287-W289 PolarHBondContact O-N 2.77Å; S287-W289 VanDerWaalsContact OG-CD2 3.26Å; S287-W289 PolarHBondContact OG-N 2.83Å
288G91.7Very high93.8Very high61 Ų6141.8 Ų41.863%0.62924%0.239SC*.  trans6915.6-168.700000114.4M284M284-G288 WeakPolarHBondContact O-CA 3.43Å; M284-G288 PolarHBondContact O-N 3.04Å
289W92.6Very high93.1Very high52 Ų5244.1 Ų44.120%0.19727%0.265CS..  trans-71.5138.7-177.7-65.1-28.5000113.1L235 R238 L239 I283 S287 Q293 M294 I297L235-W289 HydrophobicContact CB-CZ3 4.14Å; L235-W289 HydrophobicContact CD2-CE3 4.09Å; L235-W289 HydrophobicContact CD2-CZ3 3.99Å; R238-W289 HydrophobicContact CB-CH2 4.18Å; R238-W289 HydrophobicContact CG-CH2 3.89Å; R238-W289 HydrophobicContact CG-CZ2 4.25Å; L239-W289 HydrophobicContact CB-CH2 4.01Å; L239-W289 HydrophobicContact CB-CZ3 4.39Å; L239-W289 HydrophobicContact CD1-CH2 4.13Å; L239-W289 HydrophobicContact CD1-CZ2 4.38Å; I283-W289 HydrophobicContact CG2-CE3 4.04Å; I283-W289 HydrophobicContact CG2-CZ3 4.13Å; S287-W289 PolarHBondContact O-N 2.77Å; S287-W289 VanDerWaalsContact OG-CD2 3.26Å; S287-W289 PolarHBondContact OG-N 2.83Å; W289-Q293 HydrophobicContact CB-CB 4.22Å; W289-M294 HydrophobicContact CB-CG 3.72Å; W289-M294 HydrophobicContact CE3-CG 4.17Å; W289-I297 HydrophobicContact CD2-CD1 3.63Å; W289-I297 HydrophobicContact CE3-CD1 3.74Å; W289-I297 HydrophobicContact CG-CD1 4.35Å; W289-I297 HydrophobicContact CH2-CD1 3.82Å; W289-I297 HydrophobicContact CZ2-CD1 3.71Å; W289-I297 HydrophobicContact CZ3-CD1 3.83Å
290T89.5Confident92.2Very high65 Ų6550.9 Ų50.940%0.39929%0.29SS..  trans-76.6169.2167.777.80000111.3E292 Q293 M294T290-E292 VanDerWaalsContact C-N 3.31Å; T290-E292 WeakPolarHBondContact CB-OE2 3.37Å; T290-E292 PolarHBondContact O-N 2.8Å; T290-E292 PolarHBondContact OG1-OE2 2.76Å; T290-Q293 VanDerWaalsContact N-OE1 3.09Å; T290-Q293 PolarHBondContact O-N 2.97Å; T290-Q293 PolarHBondContact OG1-N 2.8Å; T290-M294 WeakPolarHBondContact O-CG 3.47Å; T290-M294 PolarHBondContact O-N 2.89Å
291A90.9Very high91.1Very high6 Ų653.3 Ų53.35%0.0531%0.306CS..Hα-helixtrans-59.6-42.4177.500000111.9A133 L135 W209 I230 M294 A295A133-A291 HydrophobicContact CB-CB 3.98Å; L135-A291 HydrophobicContact CD2-CB 3.89Å; W209-A291 HydrophobicContact CD2-CB 3.77Å; W209-A291 HydrophobicContact CG-CB 3.86Å; W209-A291 HydrophobicContact CZ2-CB 4.16Å; I230-A291 HydrophobicContact CD1-CB 4.37Å; A291-M294 WeakPolarHBondContact O-CB 3.39Å; A291-M294 PolarHBondContact O-N 3Å; A291-A295 WeakPolarHBondContact O-CB 3.11Å; A291-A295 PolarHBondContact O-N 2.87Å
292E87.5Confident90.2Very high93 Ų9353.6 Ų53.644%0.43531%0.311SS..Hα-helixtrans-62.3-46.6178-56.271.5-158.500110.8W209 T290 M294 A295 D296W209-E292 HydrophobicContact CH2-CB 4.41Å; W209-E292 HydrophobicContact CH2-CG 4.11Å; W209-E292 HydrophobicContact CZ2-CG 3.82Å; T290-E292 VanDerWaalsContact C-N 3.31Å; T290-E292 WeakPolarHBondContact CB-OE2 3.37Å; T290-E292 PolarHBondContact O-N 2.8Å; T290-E292 PolarHBondContact OG1-OE2 2.76Å; E292-M294 VanDerWaalsContact C-N 3.3Å; E292-M294 PolarHBondContact O-N 2.67Å; E292-A295 PolarHBondContact O-N 3.32Å; E292-D296 PolarHBondContact O-N 3.04Å
293Q89.9Confident89.4Confident88 Ų8855.2 Ų55.241%0.41132%0.319SS..Hα-helixtrans-63.1-38.4177.1-69.3177.6-27.500111.8W289 T290 D296 I297W289-Q293 HydrophobicContact CB-CB 4.22Å; T290-Q293 VanDerWaalsContact N-OE1 3.09Å; T290-Q293 PolarHBondContact O-N 2.97Å; T290-Q293 PolarHBondContact OG1-N 2.8Å; Q293-D296 PolarHBondContact O-N 2.73Å; Q293-I297 WeakPolarHBondContact O-CD1 3.49Å; Q293-I297 VanDerWaalsContact O-CG1 3.22Å; Q293-I297 WeakPolarHBondContact O-CG1 3.46Å; Q293-I297 PolarHBondContact O-N 2.85Å
294M95.2Very high88.7Confident0 Ų056.7 Ų56.70%033%0.326CS..Hα-helixtrans-66.9-37.8175.5-73.6-169.8-70.900112.2L135 I230 L235 L280 I283 M284 W289 T290 A291 E292 I297 T298L135-M294 HydrophobicContact CD1-CE 4.02Å; I230-M294 HydrophobicContact CD1-CB 4Å; I230-M294 HydrophobicContact CD1-CE 4.41Å; I230-M294 HydrophobicContact CG1-CB 4.27Å; I230-M294 HydrophobicContact CG2-CB 3.84Å; L235-M294 HydrophobicContact CD1-CB 3.98Å; L235-M294 HydrophobicContact CD1-CG 3.77Å; L235-M294 HydrophobicContact CD1-SD 3.57Å; L235-M294 VanDerWaalsContact CD1-SD 3.57Å; L235-M294 HydrophobicContact CD2-CB 3.95Å; L235-M294 HydrophobicContact CD2-CG 4.01Å; L280-M294 HydrophobicContact CD1-CE 4.32Å; L280-M294 HydrophobicContact CD1-SD 3.89Å; I283-M294 HydrophobicContact CG2-SD 4.47Å; M284-M294 HydrophobicContact CG-CE 3.87Å; M284-M294 HydrophobicContact CG-SD 4.02Å; M284-M294 HydrophobicContact SD-CE 4.16Å; W289-M294 HydrophobicContact CB-CG 3.72Å; W289-M294 HydrophobicContact CE3-CG 4.17Å; T290-M294 WeakPolarHBondContact O-CG 3.47Å; T290-M294 PolarHBondContact O-N 2.89Å; A291-M294 WeakPolarHBondContact O-CB 3.39Å; A291-M294 PolarHBondContact O-N 3Å; E292-M294 VanDerWaalsContact C-N 3.3Å; E292-M294 PolarHBondContact O-N 2.67Å; M294-I297 PolarHBondContact O-N 2.87Å; M294-T298 WeakPolarHBondContact O-CB 3.36Å; M294-T298 PolarHBondContact O-N 2.93Å; M294-T298 PolarHBondContact O-OG1 2.91Å
295A91.7Very high88.2Confident16 Ų1658.1 Ų58.113%0.13234%0.339CS..Hα-helixtrans-67-43.3174.200000111.7W209 I230 A291 E292 I297 T298 G299W209-A295 HydrophobicContact CE3-CB 4Å; W209-A295 HydrophobicContact CH2-CB 4.03Å; W209-A295 HydrophobicContact CZ3-CB 3.28Å; I230-A295 HydrophobicContact CG1-CB 4.13Å; A291-A295 WeakPolarHBondContact O-CB 3.11Å; A291-A295 PolarHBondContact O-N 2.87Å; E292-A295 PolarHBondContact O-N 3.32Å; A295-I297 VanDerWaalsContact C-N 3.33Å; A295-I297 PolarHBondContact O-N 3.42Å; A295-T298 CarbonylContact O-C 3.54Å; A295-T298 WeakPolarHBondContact O-CA 3.38Å; A295-T298 VanDerWaalsContact O-CB 3.31Å; A295-T298 WeakPolarHBondContact O-CB 3.32Å; A295-T298 PolarHBondContact O-N 3.49Å; A295-G299 PolarHBondContact O-N 2.89Å
296D89.4Confident87.7Confident104 Ų10454.7 Ų54.756%0.55632%0.322SS*.Hα-helixtrans-57.7-43.7173.7-81.3-12.5000112E292 Q293 T298 G299 R300E292-D296 PolarHBondContact O-N 3.04Å; Q293-D296 PolarHBondContact O-N 2.73Å; D296-T298 VanDerWaalsContact C-N 3.29Å; D296-T298 PolarHBondContact O-N 3.33Å; D296-G299 PolarHBondContact O-N 3.4Å; D296-R300 WeakPolarHBondContact O-CG 3.3Å; D296-R300 PolarHBondContact O-N 2.91Å
297I91.1Very high87.2Confident20 Ų2051.8 Ų51.810%0.10330%0.304CS..Hα-helixtrans-64.9-37.8175.1-66.3162.5000110.5L235 R238 W289 Q293 M294 A295 R300L235-I297 HydrophobicContact CD2-CB 3.84Å; L235-I297 HydrophobicContact CD2-CD1 4.2Å; L235-I297 HydrophobicContact CD2-CG2 3.75Å; R238-I297 HydrophobicContact CB-CG2 4.22Å; R238-I297 HydrophobicContact CG-CG2 4.36Å; W289-I297 HydrophobicContact CD2-CD1 3.63Å; W289-I297 HydrophobicContact CE3-CD1 3.74Å; W289-I297 HydrophobicContact CG-CD1 4.35Å; W289-I297 HydrophobicContact CH2-CD1 3.82Å; W289-I297 HydrophobicContact CZ2-CD1 3.71Å; W289-I297 HydrophobicContact CZ3-CD1 3.83Å; Q293-I297 WeakPolarHBondContact O-CD1 3.49Å; Q293-I297 VanDerWaalsContact O-CG1 3.22Å; Q293-I297 WeakPolarHBondContact O-CG1 3.46Å; Q293-I297 PolarHBondContact O-N 2.85Å; M294-I297 PolarHBondContact O-N 2.87Å; A295-I297 VanDerWaalsContact C-N 3.33Å; A295-I297 PolarHBondContact O-N 3.42Å; I297-R300 PolarHBondContact O-N 2.7Å
298T92.4Very high86.6Confident17 Ų1755 Ų5510%0.10432%0.322CS..Hα-helixtrans-65.2-38.6178.2-63.30000112.1W229 C231 K234 M294 A295 D296 R300W229-T298 VanDerWaalsContact O-CG2 3.3Å; W229-T298 WeakPolarHBondContact O-CG2 3.38Å; C231-T298 HydrophobicContact CB-CG2 3.53Å; C231-T298 PolarHBondContact N-OG1 2.85Å; K234-T298 VanDerWaalsContact CD-O 3.23Å; K234-T298 WeakPolarHBondContact CD-O 3.49Å; K234-T298 PolarHBondContact NZ-O 3.48Å; M294-T298 WeakPolarHBondContact O-CB 3.36Å; M294-T298 PolarHBondContact O-N 2.93Å; M294-T298 PolarHBondContact O-OG1 2.91Å; A295-T298 CarbonylContact O-C 3.54Å; A295-T298 WeakPolarHBondContact O-CA 3.38Å; A295-T298 VanDerWaalsContact O-CB 3.31Å; A295-T298 WeakPolarHBondContact O-CB 3.32Å; A295-T298 PolarHBondContact O-N 3.49Å; D296-T298 VanDerWaalsContact C-N 3.29Å; D296-T298 PolarHBondContact O-N 3.33Å; T298-R300 PolarHBondContact O-N 3.18Å
299G84.2Confident86.3Confident63 Ų6355.1 Ų55.165%0.64931%0.306SS*.Hα-helixtrans-68.2-18.8176.700000114.2A295 D296A295-G299 PolarHBondContact O-N 2.89Å; D296-G299 PolarHBondContact O-N 3.4Å
300R79.4Confident86.1Confident141 Ų14154.9 Ų54.953%0.53232%0.32SS..SBendtrans-69.2140.8179.6-69.7171.5-165-164.93.1111.7K234 D296 I297 T298K234-R300 PolarHBondContact NZ-O 2.93Å; D296-R300 WeakPolarHBondContact O-CG 3.3Å; D296-R300 PolarHBondContact O-N 2.91Å; I297-R300 PolarHBondContact O-N 2.7Å; T298-R300 PolarHBondContact O-N 3.18Å
301P75.1Confident86.1Confident52 Ų5259.1 Ų59.134%0.33833%0.333SS..  trans-59.8144.4171.5-19.731.3000110.4P340 E341 L344P301-P340 HydrophobicContact CB-CB 3.95Å; P301-P340 HydrophobicContact CG-CB 3.47Å; P301-P340 VanDerWaalsContact CG-CB 3.47Å; P301-E341 HydrophobicContact CB-CG 4.05Å; P301-L344 HydrophobicContact CB-CD2 4.09Å; P301-L344 WeakPolarHBondContact O-CD2 3.39Å
302S77.1Confident86.1Confident34 Ų3461.1 Ų61.124%0.23834%0.339CS..  trans-118.9154.7176.659.10000111.1M304S302-M304 PolarHBondContact O-N 3.31Å
303L81.8Confident86.2Confident63 Ų6365.7 Ų65.733%0.3335%0.353SS..  trans-58.6131.4175.1-60.3175.7000110.9L344 T345 H348L303-L344 HydrophobicContact CD2-CD2 4.4Å; L303-L344 HydrophobicContact CD2-CG 3.99Å; L303-T345 WeakPolarHBondContact CA-OG1 3.43Å; L303-H348 HydrophobicContact CD1-CB 4.44Å; L303-H348 HydrophobicContact CD2-CB 3.47Å; L303-H348 VanDerWaalsContact CD2-CB 3.47Å
304M82.3Confident85.9Confident31 Ų3164.2 Ų64.215%0.15336%0.361CS..  trans-73.9127170.8-61.6177.663.600108.6S302 T308 V317 E341 L342 T345S302-M304 PolarHBondContact O-N 3.31Å; M304-T308 HydrophobicContact CE-CG2 4.43Å; M304-V317 HydrophobicContact CB-CG2 4.32Å; M304-V317 WeakPolarHBondContact O-CG2 3.19Å; M304-E341 HydrophobicContact CG-CB 4.08Å; M304-E341 HydrophobicContact SD-CB 4.46Å; M304-L342 HydrophobicContact SD-CB 3.92Å; M304-L342 HydrophobicContact SD-CD1 4.05Å; M304-T345 HydrophobicContact CB-CG2 4.11Å; M304-T345 PolarHBondContact N-OG1 3.26Å
305T83.2Confident85.7Confident89 Ų8970.2 Ų70.255%0.54639%0.387SS..SBendtrans-84.8-26.2175.155.70000112.3A316 V317T305-A316 CarbonylContact O-C 3.12Å; T305-A316 VanDerWaalsContact O-CA 3.24Å; T305-A316 WeakPolarHBondContact O-CA 2.88Å; T305-V317 PolarHBondContact O-N 3.35Å
306T85Confident85.5Confident58 Ų5870.9 Ų70.936%0.35639%0.393SS..BIsolated β-bridgetrans-137.8137.2-174-48.50000109.6T308 G314 K315T306-T308 PolarHBondContact O-N 3.27Å; T306-G314 VanDerWaalsContact CG2-C 3.45Å; T306-K315 CarbonylContact C-O 3.4Å; T306-K315 WeakPolarHBondContact CA-O 3.48Å; T306-K315 VanDerWaalsContact CG2-O 3.31Å; T306-K315 WeakPolarHBondContact CG2-O 3.18Å
307F86Confident85.5Confident3 Ų366 Ų661%0.01337%0.367CS..  trans-68.5129.8171.8-80.4-69.1000110.7F309 Y312 G314 K315 V317 V320 Y327 L328 L331 L342F307-F309 HydrophobicContact CD1-CE1 4.32Å; F307-F309 HydrophobicContact CD1-CZ 4.34Å; F307-Y312 WeakPolarHBondContact CB-O 3.41Å; F307-G314 PolarHBondContact O-N 2.9Å; F307-K315 PolarHBondContact N-O 3.42Å; F307-V317 HydrophobicContact CD1-CG2 4.41Å; F307-V317 HydrophobicContact CD2-CB 4.47Å; F307-V317 HydrophobicContact CD2-CG2 3.84Å; F307-V317 HydrophobicContact CE1-CG2 4.44Å; F307-V317 HydrophobicContact CE2-CB 4.16Å; F307-V317 HydrophobicContact CE2-CG1 3.93Å; F307-V317 HydrophobicContact CE2-CG2 3.88Å; F307-V317 HydrophobicContact CG-CG2 4.11Å; F307-V317 HydrophobicContact CZ-CG1 3.96Å; F307-V317 HydrophobicContact CZ-CG2 4.19Å; F307-V320 HydrophobicContact CD2-CB 4.41Å; F307-V320 HydrophobicContact CD2-CG2 4.11Å; F307-V320 HydrophobicContact CE2-CB 3.87Å; F307-V320 HydrophobicContact CE2-CG1 3.89Å; F307-V320 HydrophobicContact CE2-CG2 4.07Å; F307-Y327 HydrophobicContact CE1-CE1 4.4Å; F307-Y327 HydrophobicContact CE2-CE1 4.39Å; F307-Y327 HydrophobicContact CZ-CD1 4.48Å; F307-Y327 HydrophobicContact CZ-CE1 4.16Å; F307-L328 HydrophobicContact CE2-CD1 4.42Å; F307-L328 HydrophobicContact CZ-CD1 4.21Å; F307-L331 HydrophobicContact CE1-CD1 3.58Å; F307-L331 HydrophobicContact CZ-CD1 3.88Å; F307-L342 HydrophobicContact CE1-CD1 4.24Å
308T82.1Confident85.5Confident98 Ų9867.4 Ų67.460%0.60138%0.378SS*.  trans-96-4.4176.852.70000113M304 T306 R313M304-T308 HydrophobicContact CE-CG2 4.43Å; T306-T308 PolarHBondContact O-N 3.27Å; T308-R313 PolarHBondContact O-NE 3.12Å
309F86.3Confident85.4Confident64 Ų6470.2 Ų70.228%0.28139%0.393SS..SBendtrans-148.1174.9-174.767.9-85.6000111.9F307 R313 L331 L335 L342F307-F309 HydrophobicContact CD1-CE1 4.32Å; F307-F309 HydrophobicContact CD1-CZ 4.34Å; F309-R313 PolarHBondContact O-N 3.41Å; F309-L331 HydrophobicContact CE2-CD2 3.9Å; F309-L331 HydrophobicContact CZ-CD2 4.41Å; F309-L335 HydrophobicContact CE2-CD1 4.17Å; F309-L335 HydrophobicContact CZ-CD1 4.25Å; F309-L342 HydrophobicContact CE1-CD1 4.08Å; F309-L342 HydrophobicContact CE1-CD2 3.86Å; F309-L342 HydrophobicContact CZ-CD1 3.89Å; F309-L342 HydrophobicContact CZ-CD2 3.46Å; F309-L342 VanDerWaalsContact CZ-CD2 3.46Å; F309-L342 HydrophobicContact CZ-CG 4.33Å
310G87.7Confident85.8Confident48 Ų4867.5 Ų67.550%0.49536%0.364SS..SBendtrans70.7-168.1172.200000114.6Y312 R313G310-Y312 PolarHBondContact O-N 2.93Å; G310-R313 WeakPolarHBondContact O-CB 3.33Å; G310-R313 PolarHBondContact O-N 2.84Å; G310-R313 VanDerWaalsContact O-N 3.11Å
311K89.8Confident86.4Confident153 Ų15361.2 Ų61.267%0.66534%0.342SS*.THydrogen-bonded Turntrans-55.1-35.8-175.6179.4-174.3173.6-1650112.9D324 Y327K311-D324 IonicContact NZ-OD2 2.88Å; K311-Y327 HydrophobicContact CB-CE2 4.12Å; K311-Y327 PolarHBondContact N-OH 2.94Å
312Y91.5Very high87.2Confident48 Ų4866.5 Ų66.519%0.18836%0.362CS..THydrogen-bonded Turntrans-102.623.7-177-63.6-67.7000113.4F307 G310 G314 K315 V320 D324 Y327F307-Y312 WeakPolarHBondContact CB-O 3.41Å; G310-Y312 PolarHBondContact O-N 2.93Å; Y312-G314 PolarHBondContact O-N 3.48Å; Y312-K315 HydrophobicContact CD1-CG 4.4Å; Y312-K315 VanDerWaalsContact O-CB 3.24Å; Y312-K315 WeakPolarHBondContact O-CB 3.03Å; Y312-K315 WeakPolarHBondContact O-CG 3.39Å; Y312-K315 PolarHBondContact O-N 2.89Å; Y312-V320 HydrophobicContact CD1-CG2 3.95Å; Y312-V320 HydrophobicContact CD2-CG1 3.5Å; Y312-V320 VanDerWaalsContact CD2-CG1 3.5Å; Y312-V320 HydrophobicContact CD2-CG2 4.15Å; Y312-V320 HydrophobicContact CE2-CG1 3.72Å; Y312-V320 HydrophobicContact CG-CG1 3.93Å; Y312-V320 HydrophobicContact CG-CG2 3.7Å; Y312-D324 HydrophobicContact CE2-CB 4.28Å; Y312-D324 WeakPolarHBondContact CE2-OD2 3.2Å; Y312-D324 PolarHBondContact OH-OD2 3.46Å; Y312-Y327 AromaticContact CD2-CD1 3.41Å; Y312-Y327 HydrophobicContact CD2-CD1 3.41Å; Y312-Y327 VanDerWaalsContact CD2-CD1 3.41Å; Y312-Y327 HydrophobicContact CD2-CD2 4.19Å; Y312-Y327 AromaticContact CD2-CE1 3.48Å; Y312-Y327 HydrophobicContact CD2-CE1 3.48Å; Y312-Y327 VanDerWaalsContact CD2-CE1 3.48Å; Y312-Y327 HydrophobicContact CD2-CE2 4.26Å; Y312-Y327 AromaticContact CD2-CG 3.77Å; Y312-Y327 HydrophobicContact CD2-CG 3.77Å; Y312-Y327 AromaticContact CD2-CZ 3.91Å; Y312-Y327 AromaticContact CE2-CD1 3.69Å; Y312-Y327 HydrophobicContact CE2-CD1 3.69Å; Y312-Y327 AromaticContact CE2-CD2 3.99Å; Y312-Y327 HydrophobicContact CE2-CD2 3.99Å; Y312-Y327 HydrophobicContact CE2-CE1 4.18Å; Y312-Y327 HydrophobicContact CE2-CE2 4.45Å; Y312-Y327 AromaticContact CE2-CG 3.57Å; Y312-Y327 HydrophobicContact CE2-CG 3.57Å; Y312-Y327 HydrophobicContact CG-CE1 4.5Å
313R89.6Confident87.9Confident190 Ų19074.9 Ų74.972%0.71739%0.388SS*.THydrogen-bonded Turntrans-49.7129175.4-178.9173.9179.6174.81.4111.2T308 F309 G310 K315T308-R313 PolarHBondContact O-NE 3.12Å; F309-R313 PolarHBondContact O-N 3.41Å; G310-R313 WeakPolarHBondContact O-CB 3.33Å; G310-R313 PolarHBondContact O-N 2.84Å; G310-R313 VanDerWaalsContact O-N 3.11Å; R313-K315 VanDerWaalsContact C-N 3.31Å
314G84Confident88.5Confident57 Ų5773.9 Ų73.959%0.58838%0.383SS*.THydrogen-bonded Turntrans81.9-2.5-177.500000115.1T306 F307 Y312T306-G314 VanDerWaalsContact CG2-C 3.45Å; F307-G314 PolarHBondContact O-N 2.9Å; Y312-G314 PolarHBondContact O-N 3.48Å
315K89.2Confident88.9Confident126 Ų12673.9 Ų73.955%0.54839%0.386SS..SBendtrans-92.4148.9176.3-56.7-61.4-175.8-179.30111.6T306 F307 Y312 R313 V320T306-K315 CarbonylContact C-O 3.4Å; T306-K315 WeakPolarHBondContact CA-O 3.48Å; T306-K315 VanDerWaalsContact CG2-O 3.31Å; T306-K315 WeakPolarHBondContact CG2-O 3.18Å; F307-K315 PolarHBondContact N-O 3.42Å; Y312-K315 HydrophobicContact CD1-CG 4.4Å; Y312-K315 VanDerWaalsContact O-CB 3.24Å; Y312-K315 WeakPolarHBondContact O-CB 3.03Å; Y312-K315 WeakPolarHBondContact O-CG 3.39Å; Y312-K315 PolarHBondContact O-N 2.89Å; R313-K315 VanDerWaalsContact C-N 3.31Å; K315-V320 HydrophobicContact CB-CG2 4.01Å
316A88.6Confident89.4Confident30 Ų3071.2 Ų71.225%0.24838%0.375CS..BIsolated β-bridgetrans-64.4134.5175.600000110.2T305 S318 D319 V320T305-A316 CarbonylContact O-C 3.12Å; T305-A316 VanDerWaalsContact O-CA 3.24Å; T305-A316 WeakPolarHBondContact O-CA 2.88Å; A316-S318 VanDerWaalsContact C-N 3.27Å; A316-S318 PolarHBondContact O-N 3.36Å; A316-D319 HydrophobicContact CB-CB 4.31Å; A316-D319 PolarHBondContact O-N 3.02Å; A316-V320 WeakPolarHBondContact O-CG2 3.31Å; A316-V320 PolarHBondContact O-N 3.08Å
317V88.9Confident89.8Confident1 Ų169.5 Ų69.51%0.00636%0.363CS..Hα-helixtrans-66.1-35.5-178.6-177.50000110.6M304 T305 F307 D319 V320 A321 T345 Y349M304-V317 HydrophobicContact CB-CG2 4.32Å; M304-V317 WeakPolarHBondContact O-CG2 3.19Å; T305-V317 PolarHBondContact O-N 3.35Å; F307-V317 HydrophobicContact CD1-CG2 4.41Å; F307-V317 HydrophobicContact CD2-CB 4.47Å; F307-V317 HydrophobicContact CD2-CG2 3.84Å; F307-V317 HydrophobicContact CE1-CG2 4.44Å; F307-V317 HydrophobicContact CE2-CB 4.16Å; F307-V317 HydrophobicContact CE2-CG1 3.93Å; F307-V317 HydrophobicContact CE2-CG2 3.88Å; F307-V317 HydrophobicContact CG-CG2 4.11Å; F307-V317 HydrophobicContact CZ-CG1 3.96Å; F307-V317 HydrophobicContact CZ-CG2 4.19Å; V317-D319 PolarHBondContact O-N 3.33Å; V317-V320 PolarHBondContact O-N 2.77Å; V317-A321 WeakPolarHBondContact O-CB 3.48Å; V317-A321 PolarHBondContact O-N 3.43Å; V317-T345 HydrophobicContact CB-CG2 4.41Å; V317-T345 HydrophobicContact CG1-CG2 3.71Å; V317-T345 HydrophobicContact CG2-CG2 4.49Å; V317-Y349 HydrophobicContact CB-CE2 4.17Å; V317-Y349 HydrophobicContact CG1-CD2 3.76Å; V317-Y349 HydrophobicContact CG1-CE2 3.64Å
318S90.9Very high90.1Very high50 Ų5069.4 Ų69.435%0.3536%0.362SS..Hα-helixtrans-54.7-48.917351.40000112.5A316 V320 A321 E322A316-S318 VanDerWaalsContact C-N 3.27Å; A316-S318 PolarHBondContact O-N 3.36Å; S318-V320 VanDerWaalsContact C-N 3.3Å; S318-V320 PolarHBondContact O-N 2.86Å; S318-A321 WeakPolarHBondContact O-CB 3.34Å; S318-A321 PolarHBondContact O-N 2.88Å; S318-E322 PolarHBondContact O-N 3.34Å
319D91.8Very high90.6Very high76 Ų7670.9 Ų70.941%0.40636%0.357SS..Hα-helixtrans-68-35.3-176-60.25.3000111.1A316 V317 R323A316-D319 HydrophobicContact CB-CB 4.31Å; A316-D319 PolarHBondContact O-N 3.02Å; V317-D319 PolarHBondContact O-N 3.33Å; D319-R323 VanDerWaalsContact O-CB 3.3Å; D319-R323 WeakPolarHBondContact O-CB 3.49Å; D319-R323 VanDerWaalsContact O-CG 3.26Å; D319-R323 WeakPolarHBondContact O-CG 3.31Å; D319-R323 PolarHBondContact O-N 2.89Å
320V92.6Very high91Very high6 Ų674.3 Ų74.34%0.03637%0.368CS..Hα-helixtrans-73.5-37.5176.4-179.30000110.7F307 Y312 K315 A316 V317 S318 E322 R323 D324 Y327 L328F307-V320 HydrophobicContact CD2-CB 4.41Å; F307-V320 HydrophobicContact CD2-CG2 4.11Å; F307-V320 HydrophobicContact CE2-CB 3.87Å; F307-V320 HydrophobicContact CE2-CG1 3.89Å; F307-V320 HydrophobicContact CE2-CG2 4.07Å; Y312-V320 HydrophobicContact CD1-CG2 3.95Å; Y312-V320 HydrophobicContact CD2-CG1 3.5Å; Y312-V320 VanDerWaalsContact CD2-CG1 3.5Å; Y312-V320 HydrophobicContact CD2-CG2 4.15Å; Y312-V320 HydrophobicContact CE2-CG1 3.72Å; Y312-V320 HydrophobicContact CG-CG1 3.93Å; Y312-V320 HydrophobicContact CG-CG2 3.7Å; K315-V320 HydrophobicContact CB-CG2 4.01Å; A316-V320 WeakPolarHBondContact O-CG2 3.31Å; A316-V320 PolarHBondContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 2.77Å; S318-V320 VanDerWaalsContact C-N 3.3Å; S318-V320 PolarHBondContact O-N 2.86Å; V320-E322 VanDerWaalsContact C-N 3.26Å; V320-E322 PolarHBondContact O-N 2.84Å; V320-R323 PolarHBondContact O-N 3.47Å; V320-D324 HydrophobicContact CG1-CB 4.5Å; V320-D324 CarbonylContact O-C 3.51Å; V320-D324 WeakPolarHBondContact O-CA 3.26Å; V320-D324 PolarHBondContact O-N 2.62Å; V320-Y327 HydrophobicContact CG1-CD1 3.97Å; V320-L328 HydrophobicContact CB-CD1 4.32Å; V320-L328 HydrophobicContact CG1-CD1 3.66Å
321A90.9Very high91.2Very high9 Ų972.1 Ų72.17%0.07435%0.345CS..Hα-helixtrans-60.5-38.3174.700000111.7V317 S318 P325 L328 Y349V317-A321 WeakPolarHBondContact O-CB 3.48Å; V317-A321 PolarHBondContact O-N 3.43Å; S318-A321 WeakPolarHBondContact O-CB 3.34Å; S318-A321 PolarHBondContact O-N 2.88Å; A321-P325 WeakPolarHBondContact O-CB 3.41Å; A321-P325 WeakPolarHBondContact O-CD 3.34Å; A321-L328 HydrophobicContact CB-CD2 3.63Å; A321-Y349 HydrophobicContact CB-CD1 3.5Å; A321-Y349 VanDerWaalsContact CB-CD1 3.5Å; A321-Y349 HydrophobicContact CB-CE1 4.18Å; A321-Y349 HydrophobicContact CB-CG 3.76Å
322E91.4Very high91.2Very high162 Ų16268.4 Ų68.476%0.75733%0.329SS*.Hα-helixtrans-73.8-45.1176.7-170.2-179.8-173.400112.6S318 V320S318-E322 PolarHBondContact O-N 3.34Å; V320-E322 VanDerWaalsContact C-N 3.26Å; V320-E322 PolarHBondContact O-N 2.84Å
323R93Very high91.1Very high211 Ų21172 Ų7280%0.79635%0.352SS*.Hα-helixtrans-85.8-31.5-173.1-67.3177.6-177.7-169.61.9114.7D319 V320D319-R323 VanDerWaalsContact O-CB 3.3Å; D319-R323 WeakPolarHBondContact O-CB 3.49Å; D319-R323 VanDerWaalsContact O-CG 3.26Å; D319-R323 WeakPolarHBondContact O-CG 3.31Å; D319-R323 PolarHBondContact O-N 2.89Å; V320-R323 PolarHBondContact O-N 3.47Å
324D93.1Very high91.1Very high42 Ų4267.1 Ų67.123%0.22534%0.34CS..  trans-145.765.2-175.6-169.5-2.6000110.8K311 Y312 V320 G326 Y327K311-D324 IonicContact NZ-OD2 2.88Å; Y312-D324 HydrophobicContact CE2-CB 4.28Å; Y312-D324 WeakPolarHBondContact CE2-OD2 3.2Å; Y312-D324 PolarHBondContact OH-OD2 3.46Å; V320-D324 HydrophobicContact CG1-CB 4.5Å; V320-D324 CarbonylContact O-C 3.51Å; V320-D324 WeakPolarHBondContact O-CA 3.26Å; V320-D324 PolarHBondContact O-N 2.62Å; D324-G326 PolarHBondContact O-N 3.24Å; D324-Y327 WeakPolarHBondContact O-CB 3.42Å; D324-Y327 PolarHBondContact O-N 2.93Å; D324-Y327 VanDerWaalsContact O-N 3.1Å; D324-Y327 PolarHBondContact OD1-N 2.87Å; D324-Y327 WeakPolarHBondContact OD2-CB 3.36Å
325P91.6Very high91.1Very high31 Ų3167.1 Ų67.120%0.20133%0.326CS..Hα-helixtrans-61.4-23.2174.924.6-33.1000112.1A321 Y327 L328 R329 T353A321-P325 WeakPolarHBondContact O-CB 3.41Å; A321-P325 WeakPolarHBondContact O-CD 3.34Å; P325-Y327 VanDerWaalsContact C-N 3.31Å; P325-Y327 PolarHBondContact O-N 3.42Å; P325-L328 PolarHBondContact O-N 2.89Å; P325-R329 PolarHBondContact O-N 3.37Å; P325-R329 VanDerWaalsContact O-N 3.08Å; P325-T353 HydrophobicContact CB-CG2 4.41Å
326G93.4Very high90.5Very high32 Ų3269.2 Ų69.233%0.3334%0.343SS..Hα-helixtrans-60-39.6173.700000112.5D324 L328 R329 W330D324-G326 PolarHBondContact O-N 3.24Å; G326-L328 PolarHBondContact O-N 3.5Å; G326-R329 PolarHBondContact O-N 3.04Å; G326-W330 WeakPolarHBondContact O-CB 3.46Å; G326-W330 PolarHBondContact O-N 3.23Å
327Y93.4Very high90Very high23 Ų2372.8 Ų72.89%0.0937%0.366CS..Hα-helixtrans-63-39.6173.7-179.4-103.6000112.8F307 K311 Y312 V320 D324 P325 W330 L331F307-Y327 HydrophobicContact CE1-CE1 4.4Å; F307-Y327 HydrophobicContact CE2-CE1 4.39Å; F307-Y327 HydrophobicContact CZ-CD1 4.48Å; F307-Y327 HydrophobicContact CZ-CE1 4.16Å; K311-Y327 HydrophobicContact CB-CE2 4.12Å; K311-Y327 PolarHBondContact N-OH 2.94Å; Y312-Y327 AromaticContact CD2-CD1 3.41Å; Y312-Y327 HydrophobicContact CD2-CD1 3.41Å; Y312-Y327 VanDerWaalsContact CD2-CD1 3.41Å; Y312-Y327 HydrophobicContact CD2-CD2 4.19Å; Y312-Y327 AromaticContact CD2-CE1 3.48Å; Y312-Y327 HydrophobicContact CD2-CE1 3.48Å; Y312-Y327 VanDerWaalsContact CD2-CE1 3.48Å; Y312-Y327 HydrophobicContact CD2-CE2 4.26Å; Y312-Y327 AromaticContact CD2-CG 3.77Å; Y312-Y327 HydrophobicContact CD2-CG 3.77Å; Y312-Y327 AromaticContact CD2-CZ 3.91Å; Y312-Y327 AromaticContact CE2-CD1 3.69Å; Y312-Y327 HydrophobicContact CE2-CD1 3.69Å; Y312-Y327 AromaticContact CE2-CD2 3.99Å; Y312-Y327 HydrophobicContact CE2-CD2 3.99Å; Y312-Y327 HydrophobicContact CE2-CE1 4.18Å; Y312-Y327 HydrophobicContact CE2-CE2 4.45Å; Y312-Y327 AromaticContact CE2-CG 3.57Å; Y312-Y327 HydrophobicContact CE2-CG 3.57Å; Y312-Y327 HydrophobicContact CG-CE1 4.5Å; V320-Y327 HydrophobicContact CG1-CD1 3.97Å; D324-Y327 WeakPolarHBondContact O-CB 3.42Å; D324-Y327 PolarHBondContact O-N 2.93Å; D324-Y327 VanDerWaalsContact O-N 3.1Å; D324-Y327 PolarHBondContact OD1-N 2.87Å; D324-Y327 WeakPolarHBondContact OD2-CB 3.36Å; P325-Y327 VanDerWaalsContact C-N 3.31Å; P325-Y327 PolarHBondContact O-N 3.42Å; Y327-W330 HydrophobicContact CD2-CE3 4.37Å; Y327-W330 HydrophobicContact CE2-CE3 4.24Å; Y327-W330 HydrophobicContact CE2-CZ3 4.38Å; Y327-W330 PolarHBondContact O-N 3.48Å; Y327-L331 HydrophobicContact CD1-CD1 3.73Å; Y327-L331 HydrophobicContact CD1-CG 4.16Å; Y327-L331 HydrophobicContact CE1-CD1 3.24Å; Y327-L331 HydrophobicContact CE1-CD2 4.29Å; Y327-L331 HydrophobicContact CE1-CG 3.79Å; Y327-L331 HydrophobicContact CE2-CD2 4.4Å; Y327-L331 HydrophobicContact CE2-CG 4.32Å; Y327-L331 WeakPolarHBondContact O-CB 3.39Å; Y327-L331 WeakPolarHBondContact O-CG 3.44Å; Y327-L331 PolarHBondContact O-N 2.98Å
328L93Very high89.7Confident1 Ų173.9 Ų73.91%0.00537%0.371CS..Hα-helixtrans-65-42.4176.2-84.967000111.5F307 V320 A321 P325 G326 W330 L331 F332 L346 Y349 L350F307-L328 HydrophobicContact CE2-CD1 4.42Å; F307-L328 HydrophobicContact CZ-CD1 4.21Å; V320-L328 HydrophobicContact CB-CD1 4.32Å; V320-L328 HydrophobicContact CG1-CD1 3.66Å; A321-L328 HydrophobicContact CB-CD2 3.63Å; P325-L328 PolarHBondContact O-N 2.89Å; G326-L328 PolarHBondContact O-N 3.5Å; L328-W330 VanDerWaalsContact C-N 3.35Å; L328-L331 PolarHBondContact O-N 3.2Å; L328-F332 WeakPolarHBondContact O-CB 3.43Å; L328-F332 PolarHBondContact O-N 3.2Å; L328-L346 HydrophobicContact CB-CD2 3.98Å; L328-L346 HydrophobicContact CD2-CD2 4.31Å; L328-L346 HydrophobicContact CG-CD2 3.72Å; L328-Y349 HydrophobicContact CD2-CG 4.25Å; L328-L350 HydrophobicContact CB-CD2 3.93Å; L328-L350 HydrophobicContact CB-CG 4.31Å
329R92.9Very high89.3Confident128 Ų12874 Ų7448%0.48337%0.372SS..Hα-helixtrans-63.1-42.4174.2-65.9179.4-151.5128.64.3111.5P325 G326 F332 N333 L350P325-R329 PolarHBondContact O-N 3.37Å; P325-R329 VanDerWaalsContact O-N 3.08Å; G326-R329 PolarHBondContact O-N 3.04Å; R329-F332 PolarHBondContact O-N 3.14Å; R329-N333 WeakPolarHBondContact O-CB 3.41Å; R329-N333 PolarHBondContact O-N 3.28Å; R329-N333 PolarHBondContact O-ND2 3.16Å; R329-L350 HydrophobicContact CB-CD2 4.45Å; R329-L350 HydrophobicContact CG-CD1 4.38Å; R329-L350 HydrophobicContact CG-CD2 3.42Å; R329-L350 VanDerWaalsContact CG-CD2 3.42Å
330W93.4Very high88.8Confident137 Ų13773.9 Ų73.952%0.51938%0.376SS..Hα-helixtrans-61-47.8176.4179.585.2000110.9G326 Y327 L328 F332 N333 N334G326-W330 WeakPolarHBondContact O-CB 3.46Å; G326-W330 PolarHBondContact O-N 3.23Å; Y327-W330 HydrophobicContact CD2-CE3 4.37Å; Y327-W330 HydrophobicContact CE2-CE3 4.24Å; Y327-W330 HydrophobicContact CE2-CZ3 4.38Å; Y327-W330 PolarHBondContact O-N 3.48Å; L328-W330 VanDerWaalsContact C-N 3.35Å; W330-F332 VanDerWaalsContact C-N 3.33Å; W330-F332 PolarHBondContact O-N 3.38Å; W330-N333 PolarHBondContact O-N 2.97Å; W330-N334 HydrophobicContact CD2-CB 4.41Å; W330-N334 HydrophobicContact CZ2-CB 4.22Å; W330-N334 PolarHBondContact NE1-ND2 2.83Å; W330-N334 VanDerWaalsContact O-CB 3.31Å; W330-N334 WeakPolarHBondContact O-CB 3.42Å; W330-N334 PolarHBondContact O-N 3.06Å; W330-N334 PolarHBondContact O-ND2 3.3Å
331L92.1Very high88.4Confident2 Ų276.5 Ų76.51%0.0139%0.388CS..Hα-helixtrans-57.1-46.6175.1-75.9177.1000111.7F307 F309 Y327 L328 N333 L335 L346F307-L331 HydrophobicContact CE1-CD1 3.58Å; F307-L331 HydrophobicContact CZ-CD1 3.88Å; F309-L331 HydrophobicContact CE2-CD2 3.9Å; F309-L331 HydrophobicContact CZ-CD2 4.41Å; Y327-L331 HydrophobicContact CD1-CD1 3.73Å; Y327-L331 HydrophobicContact CD1-CG 4.16Å; Y327-L331 HydrophobicContact CE1-CD1 3.24Å; Y327-L331 HydrophobicContact CE1-CD2 4.29Å; Y327-L331 HydrophobicContact CE1-CG 3.79Å; Y327-L331 HydrophobicContact CE2-CD2 4.4Å; Y327-L331 HydrophobicContact CE2-CG 4.32Å; Y327-L331 WeakPolarHBondContact O-CB 3.39Å; Y327-L331 WeakPolarHBondContact O-CG 3.44Å; Y327-L331 PolarHBondContact O-N 2.98Å; L328-L331 PolarHBondContact O-N 3.2Å; L331-N333 VanDerWaalsContact C-N 3.29Å; L331-N333 PolarHBondContact O-N 3.45Å; L331-L335 HydrophobicContact CB-CD1 4.21Å; L331-L335 HydrophobicContact CD2-CD1 3.61Å; L331-L335 HydrophobicContact CD2-CG 4.21Å; L331-L335 HydrophobicContact CG-CD1 4.48Å; L331-L335 WeakPolarHBondContact O-CB 3.04Å; L331-L335 PolarHBondContact O-N 3.23Å; L331-L335 VanDerWaalsContact O-N 3.15Å; L331-L346 HydrophobicContact CB-CD1 3.77Å; L331-L346 HydrophobicContact CB-CD2 4.3Å; L331-L346 HydrophobicContact CD1-CD2 4.16Å
332F90.1Very high88.2Confident75 Ų7576.3 Ų76.333%0.32939%0.385SS..Hα-helixtrans-63.7-34.2-177.4-170.7-99000112.9L328 R329 W330 M338 R343 L346 K347 L350L328-F332 WeakPolarHBondContact O-CB 3.43Å; L328-F332 PolarHBondContact O-N 3.2Å; R329-F332 PolarHBondContact O-N 3.14Å; W330-F332 VanDerWaalsContact C-N 3.33Å; W330-F332 PolarHBondContact O-N 3.38Å; F332-M338 HydrophobicContact CD2-CE 4.31Å; F332-R343 HydrophobicContact CE2-CG 4.42Å; F332-L346 HydrophobicContact CB-CB 4.46Å; F332-L346 HydrophobicContact CB-CD1 4.09Å; F332-L346 HydrophobicContact CD2-CB 3.88Å; F332-L346 HydrophobicContact CD2-CD1 4.31Å; F332-K347 HydrophobicContact CE2-CG 3.67Å; F332-K347 HydrophobicContact CZ-CG 4.1Å; F332-L350 HydrophobicContact CB-CD1 3.86Å; F332-L350 HydrophobicContact CG-CD1 4.08Å
333N89.9Confident87.9Confident124 Ų12474.3 Ų74.366%0.66337%0.371SS*.Hα-helixtrans-91.2-25.1-176.8-68.1-20.5000114.3R329 W330 L331R329-N333 WeakPolarHBondContact O-CB 3.41Å; R329-N333 PolarHBondContact O-N 3.28Å; R329-N333 PolarHBondContact O-ND2 3.16Å; W330-N333 PolarHBondContact O-N 2.97Å; L331-N333 VanDerWaalsContact C-N 3.29Å; L331-N333 PolarHBondContact O-N 3.45Å
334N90Very high87.6Confident87 Ų8767.8 Ų67.847%0.46535%0.351SS..Hα-helixtrans-114-9.2-169.4-63.7-93.9000114.3W330 D336W330-N334 HydrophobicContact CD2-CB 4.41Å; W330-N334 HydrophobicContact CZ2-CB 4.22Å; W330-N334 PolarHBondContact NE1-ND2 2.83Å; W330-N334 VanDerWaalsContact O-CB 3.31Å; W330-N334 WeakPolarHBondContact O-CB 3.42Å; W330-N334 PolarHBondContact O-N 3.06Å; W330-N334 PolarHBondContact O-ND2 3.3Å; N334-D336 PolarHBondContact O-N 3.01Å
335L83.2Confident87.4Confident57 Ų5765.8 Ų65.830%0.29834%0.341SS..  trans-84.4105.3173.1-80.1171.1000110.5F309 L331 S337 M338 L342F309-L335 HydrophobicContact CE2-CD1 4.17Å; F309-L335 HydrophobicContact CZ-CD1 4.25Å; L331-L335 HydrophobicContact CB-CD1 4.21Å; L331-L335 HydrophobicContact CD2-CD1 3.61Å; L331-L335 HydrophobicContact CD2-CG 4.21Å; L331-L335 HydrophobicContact CG-CD1 4.48Å; L331-L335 WeakPolarHBondContact O-CB 3.04Å; L331-L335 PolarHBondContact O-N 3.23Å; L331-L335 VanDerWaalsContact O-N 3.15Å; L335-S337 PolarHBondContact O-N 3.46Å; L335-M338 HydrophobicContact CB-CG 3.36Å; L335-M338 HydrophobicContact CB-SD 3.66Å; L335-M338 HydrophobicContact CD1-CG 3.87Å; L335-M338 HydrophobicContact CD1-SD 3.91Å; L335-M338 HydrophobicContact CG-CG 4.26Å; L335-M338 HydrophobicContact CG-SD 4.43Å; L335-L342 HydrophobicContact CD1-CD2 3.63Å
336D75.3Confident87.4Confident169 Ų16964.3 Ų64.390%0.90433%0.331SS*.SBendtrans-56.9-37.5177.2-62.2-39.1000112.6N334N334-D336 PolarHBondContact O-N 3.01Å
337S79.1Confident87.1Confident105 Ų10567.4 Ų67.473%0.73434%0.336SS*.SBendtrans-127.1129.1174.571.10000110.4L335L335-S337 PolarHBondContact O-N 3.46Å
338M83.3Confident86.9Confident24 Ų2469.8 Ų69.812%0.11835%0.347CS..  trans-134.4141.5178.1-63.1-169.2-11.400109.3F332 L335 L342 R343 L346F332-M338 HydrophobicContact CD2-CE 4.31Å; L335-M338 HydrophobicContact CB-CG 3.36Å; L335-M338 HydrophobicContact CB-SD 3.66Å; L335-M338 HydrophobicContact CD1-CG 3.87Å; L335-M338 HydrophobicContact CD1-SD 3.91Å; L335-M338 HydrophobicContact CG-CG 4.26Å; L335-M338 HydrophobicContact CG-SD 4.43Å; M338-L342 HydrophobicContact CB-CD2 4.05Å; M338-L342 HydrophobicContact CB-CG 4.48Å; M338-L342 HydrophobicContact CE-CG 4.29Å; M338-L342 HydrophobicContact CG-CD2 3.94Å; M338-L342 HydrophobicContact SD-CD2 4.11Å; M338-L342 HydrophobicContact SD-CG 4.37Å; M338-R343 HydrophobicContact CE-CB 3.54Å; M338-R343 HydrophobicContact CE-CG 3.95Å; M338-L346 HydrophobicContact CE-CD1 3.78Å; M338-L346 HydrophobicContact SD-CD1 3.82Å
339S82.4Confident86.7Confident53 Ų5372.3 Ų72.337%0.37136%0.357SS..  trans-61.4150.2169.8660000110.5E341 L342 R343S339-E341 PolarHBondContact O-N 2.76Å; S339-L342 PolarHBondContact O-N 3.22Å; S339-L342 VanDerWaalsContact O-N 3.13Å; S339-L342 WeakPolarHBondContact OG-CB 3.44Å; S339-L342 PolarHBondContact OG-N 3.04Å; S339-L342 VanDerWaalsContact OG-N 3.12Å; S339-R343 PolarHBondContact O-N 2.75Å
340P81Confident86.5Confident74 Ų7468 Ų6848%0.48134%0.343SS..Hα-helixtrans-51.6-37.7172.6-28.436.9000112.9P301 R343 L344P301-P340 HydrophobicContact CB-CB 3.95Å; P301-P340 HydrophobicContact CG-CB 3.47Å; P301-P340 VanDerWaalsContact CG-CB 3.47Å; P340-R343 PolarHBondContact O-N 2.88Å; P340-L344 VanDerWaalsContact O-CB 3.3Å; P340-L344 WeakPolarHBondContact O-CB 3.19Å; P340-L344 PolarHBondContact O-N 3.42Å
341E83.5Confident86Confident61 Ų6168.5 Ų68.529%0.28535%0.352SS..Hα-helixtrans-64.8-47.3176.8-68.271.4-159.800111.8P301 M304 S339 R343 L344 T345P301-E341 HydrophobicContact CB-CG 4.05Å; M304-E341 HydrophobicContact CG-CB 4.08Å; M304-E341 HydrophobicContact SD-CB 4.46Å; S339-E341 PolarHBondContact O-N 2.76Å; E341-R343 VanDerWaalsContact C-N 3.32Å; E341-R343 PolarHBondContact O-N 2.78Å; E341-L344 PolarHBondContact O-N 3.41Å; E341-T345 VanDerWaalsContact O-CB 3.31Å; E341-T345 WeakPolarHBondContact O-CB 3.38Å; E341-T345 PolarHBondContact O-N 3.45Å; E341-T345 PolarHBondContact O-OG1 2.94Å
342L86.6Confident84.6Confident5 Ų574.3 Ų74.33%0.02638%0.382CS..Hα-helixtrans-62.8-44.1177.9178.262.9000110.1M304 F307 F309 L335 M338 S339 L344 T345 L346M304-L342 HydrophobicContact SD-CB 3.92Å; M304-L342 HydrophobicContact SD-CD1 4.05Å; F307-L342 HydrophobicContact CE1-CD1 4.24Å; F309-L342 HydrophobicContact CE1-CD1 4.08Å; F309-L342 HydrophobicContact CE1-CD2 3.86Å; F309-L342 HydrophobicContact CZ-CD1 3.89Å; F309-L342 HydrophobicContact CZ-CD2 3.46Å; F309-L342 VanDerWaalsContact CZ-CD2 3.46Å; F309-L342 HydrophobicContact CZ-CG 4.33Å; L335-L342 HydrophobicContact CD1-CD2 3.63Å; M338-L342 HydrophobicContact CB-CD2 4.05Å; M338-L342 HydrophobicContact CB-CG 4.48Å; M338-L342 HydrophobicContact CE-CG 4.29Å; M338-L342 HydrophobicContact CG-CD2 3.94Å; M338-L342 HydrophobicContact SD-CD2 4.11Å; M338-L342 HydrophobicContact SD-CG 4.37Å; S339-L342 PolarHBondContact O-N 3.22Å; S339-L342 VanDerWaalsContact O-N 3.13Å; S339-L342 WeakPolarHBondContact OG-CB 3.44Å; S339-L342 PolarHBondContact OG-N 3.04Å; S339-L342 VanDerWaalsContact OG-N 3.12Å; L342-L344 PolarHBondContact O-N 2.93Å; L342-T345 PolarHBondContact O-N 2.82Å; L342-L346 HydrophobicContact CD1-CD1 4.04Å; L342-L346 HydrophobicContact CD1-CD2 4.33Å; L342-L346 HydrophobicContact CD1-CG 3.95Å; L342-L346 HydrophobicContact CG-CD1 4Å; L342-L346 HydrophobicContact CG-CG 4.29Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.29Å; L342-L346 PolarHBondContact O-N 3.4Å
343R86.3Confident82.7Confident119 Ų11976.5 Ų76.545%0.44940%0.402SS..Hα-helixtrans-60.3-47.4177.5-173.7177.5-71.1130.3-1.6112F332 M338 S339 P340 E341 T345 K347F332-R343 HydrophobicContact CE2-CG 4.42Å; M338-R343 HydrophobicContact CE-CB 3.54Å; M338-R343 HydrophobicContact CE-CG 3.95Å; S339-R343 PolarHBondContact O-N 2.75Å; P340-R343 PolarHBondContact O-N 2.88Å; E341-R343 VanDerWaalsContact C-N 3.32Å; E341-R343 PolarHBondContact O-N 2.78Å; R343-T345 VanDerWaalsContact C-N 3.3Å; R343-T345 PolarHBondContact O-N 3.12Å; R343-K347 WeakPolarHBondContact O-CG 3.38Å; R343-K347 PolarHBondContact O-N 3.5Å
344L86.2Confident82.4Confident74 Ų7474.2 Ų74.239%0.38739%0.389SS..Hα-helixtrans-59.4-43.8175.8179.766.9000111.1P301 L303 P340 E341 L342 H348P301-L344 HydrophobicContact CB-CD2 4.09Å; P301-L344 WeakPolarHBondContact O-CD2 3.39Å; L303-L344 HydrophobicContact CD2-CD2 4.4Å; L303-L344 HydrophobicContact CD2-CG 3.99Å; P340-L344 VanDerWaalsContact O-CB 3.3Å; P340-L344 WeakPolarHBondContact O-CB 3.19Å; P340-L344 PolarHBondContact O-N 3.42Å; E341-L344 PolarHBondContact O-N 3.41Å; L342-L344 PolarHBondContact O-N 2.93Å; L344-H348 WeakPolarHBondContact O-CB 3.46Å; L344-H348 PolarHBondContact O-N 3.1Å
345T88.7Confident82Confident1 Ų173.5 Ų73.51%0.00639%0.385CS..Hα-helixtrans-64-48.7-179-53.40000112L303 M304 V317 E341 L342 R343 H348 Y349L303-T345 WeakPolarHBondContact CA-OG1 3.43Å; M304-T345 HydrophobicContact CB-CG2 4.11Å; M304-T345 PolarHBondContact N-OG1 3.26Å; V317-T345 HydrophobicContact CB-CG2 4.41Å; V317-T345 HydrophobicContact CG1-CG2 3.71Å; V317-T345 HydrophobicContact CG2-CG2 4.49Å; E341-T345 VanDerWaalsContact O-CB 3.31Å; E341-T345 WeakPolarHBondContact O-CB 3.38Å; E341-T345 PolarHBondContact O-N 3.45Å; E341-T345 PolarHBondContact O-OG1 2.94Å; L342-T345 PolarHBondContact O-N 2.82Å; R343-T345 VanDerWaalsContact C-N 3.3Å; R343-T345 PolarHBondContact O-N 3.12Å; T345-H348 PolarHBondContact O-N 3.36Å; T345-Y349 HydrophobicContact CG2-CD2 3.89Å; T345-Y349 HydrophobicContact CG2-CE2 3.88Å; T345-Y349 WeakPolarHBondContact O-CD2 3.38Å; T345-Y349 PolarHBondContact O-N 2.68Å; T345-Y349 VanDerWaalsContact O-N 3.13Å
346L90.8Very high81.9Confident0 Ų074.4 Ų74.40%039%0.39CS..Hα-helixtrans-62.8-45.1179.4-66.3178.7000111.1L328 L331 F332 M338 L342 H348 Y349 L350L328-L346 HydrophobicContact CB-CD2 3.98Å; L328-L346 HydrophobicContact CD2-CD2 4.31Å; L328-L346 HydrophobicContact CG-CD2 3.72Å; L331-L346 HydrophobicContact CB-CD1 3.77Å; L331-L346 HydrophobicContact CB-CD2 4.3Å; L331-L346 HydrophobicContact CD1-CD2 4.16Å; F332-L346 HydrophobicContact CB-CB 4.46Å; F332-L346 HydrophobicContact CB-CD1 4.09Å; F332-L346 HydrophobicContact CD2-CB 3.88Å; F332-L346 HydrophobicContact CD2-CD1 4.31Å; M338-L346 HydrophobicContact CE-CD1 3.78Å; M338-L346 HydrophobicContact SD-CD1 3.82Å; L342-L346 HydrophobicContact CD1-CD1 4.04Å; L342-L346 HydrophobicContact CD1-CD2 4.33Å; L342-L346 HydrophobicContact CD1-CG 3.95Å; L342-L346 HydrophobicContact CG-CD1 4Å; L342-L346 HydrophobicContact CG-CG 4.29Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.29Å; L342-L346 PolarHBondContact O-N 3.4Å; L346-H348 PolarHBondContact O-N 2.79Å; L346-Y349 PolarHBondContact O-N 3.28Å; L346-L350 VanDerWaalsContact O-CB 3.24Å; L346-L350 WeakPolarHBondContact O-CB 3.08Å; L346-L350 WeakPolarHBondContact O-CG 3.18Å; L346-L350 PolarHBondContact O-N 3.29Å
347K88.5Confident82.3Confident97 Ų9768.8 Ų68.842%0.42236%0.36SS..Hα-helixtrans-57.3-48.3174.5-75.5-169.8173.4-167.30112.1F332 R343 Y349 L350 E351F332-K347 HydrophobicContact CE2-CG 3.67Å; F332-K347 HydrophobicContact CZ-CG 4.1Å; R343-K347 WeakPolarHBondContact O-CG 3.38Å; R343-K347 PolarHBondContact O-N 3.5Å; K347-Y349 VanDerWaalsContact C-N 3.33Å; K347-Y349 PolarHBondContact O-N 2.84Å; K347-L350 PolarHBondContact O-N 2.86Å; K347-E351 WeakPolarHBondContact O-CB 3.4Å; K347-E351 WeakPolarHBondContact O-CG 3.46Å; K347-E351 PolarHBondContact O-N 3.08Å
348H88.4Confident82.5Confident73 Ų7366.6 Ų66.634%0.33834%0.337SS..Hα-helixtrans-56.6-44.8-179.3174.373.4000112.9L303 L344 T345 L346 N352L303-H348 HydrophobicContact CD1-CB 4.44Å; L303-H348 HydrophobicContact CD2-CB 3.47Å; L303-H348 VanDerWaalsContact CD2-CB 3.47Å; L344-H348 WeakPolarHBondContact O-CB 3.46Å; L344-H348 PolarHBondContact O-N 3.1Å; T345-H348 PolarHBondContact O-N 3.36Å; L346-H348 PolarHBondContact O-N 2.79Å; H348-N352 PolarHBondContact O-ND2 3.21Å
349Y89.5Confident82.4Confident53 Ų5369.4 Ų69.421%0.20835%0.351CS..Hα-helixtrans-77.1-36.3179.4-76.9-73.3000112.4V317 A321 L328 T345 L346 K347 N352 T353V317-Y349 HydrophobicContact CB-CE2 4.17Å; V317-Y349 HydrophobicContact CG1-CD2 3.76Å; V317-Y349 HydrophobicContact CG1-CE2 3.64Å; A321-Y349 HydrophobicContact CB-CD1 3.5Å; A321-Y349 VanDerWaalsContact CB-CD1 3.5Å; A321-Y349 HydrophobicContact CB-CE1 4.18Å; A321-Y349 HydrophobicContact CB-CG 3.76Å; L328-Y349 HydrophobicContact CD2-CG 4.25Å; T345-Y349 HydrophobicContact CG2-CD2 3.89Å; T345-Y349 HydrophobicContact CG2-CE2 3.88Å; T345-Y349 WeakPolarHBondContact O-CD2 3.38Å; T345-Y349 PolarHBondContact O-N 2.68Å; T345-Y349 VanDerWaalsContact O-N 3.13Å; L346-Y349 PolarHBondContact O-N 3.28Å; K347-Y349 VanDerWaalsContact C-N 3.33Å; K347-Y349 PolarHBondContact O-N 2.84Å; Y349-N352 PolarHBondContact O-N 3.48Å; Y349-T353 PolarHBondContact O-N 2.9Å; Y349-T353 PolarHBondContact O-OG1 3.47Å
350L88Confident82.4Confident37 Ų3770.6 Ų70.619%0.19435%0.35CS..Hα-helixtrans-73.5-26.8-179.2-69175.6000114.1L328 R329 F332 L346 K347 N352L328-L350 HydrophobicContact CB-CD2 3.93Å; L328-L350 HydrophobicContact CB-CG 4.31Å; R329-L350 HydrophobicContact CB-CD2 4.45Å; R329-L350 HydrophobicContact CG-CD1 4.38Å; R329-L350 HydrophobicContact CG-CD2 3.42Å; R329-L350 VanDerWaalsContact CG-CD2 3.42Å; F332-L350 HydrophobicContact CB-CD1 3.86Å; F332-L350 HydrophobicContact CG-CD1 4.08Å; L346-L350 VanDerWaalsContact O-CB 3.24Å; L346-L350 WeakPolarHBondContact O-CB 3.08Å; L346-L350 WeakPolarHBondContact O-CG 3.18Å; L346-L350 PolarHBondContact O-N 3.29Å; K347-L350 PolarHBondContact O-N 2.86Å; L350-N352 VanDerWaalsContact C-N 3.32Å
351E82.4Confident82.6Confident149 Ų14970.3 Ų70.370%0.69634%0.34SS*.Hα-helixtrans-76.9-20.1174.2-72.9170.3-172.700112.5K347K347-E351 WeakPolarHBondContact O-CB 3.4Å; K347-E351 WeakPolarHBondContact O-CG 3.46Å; K347-E351 PolarHBondContact O-N 3.08Å
352N62.9Low82.5Confident123 Ų12371.1 Ų71.166%0.65834%0.344SS*.THydrogen-bonded Turntrans-100.65.8179.7-70.8-54.1000113.5H348 Y349 L350H348-N352 PolarHBondContact O-ND2 3.21Å; Y349-N352 PolarHBondContact O-N 3.48Å; L350-N352 VanDerWaalsContact C-N 3.32Å
353T51.5Low82.1Confident122 Ų12277.1 Ų77.175%0.74837%0.373SS*.  trans-111.50172.9-18.30000109.8P325 Y349P325-T353 HydrophobicContact CB-CG2 4.41Å; Y349-T353 PolarHBondContact O-N 2.9Å; Y349-T353 PolarHBondContact O-OG1 3.47Å

Retrieved 353 of 353 residues in 330 ms (Link to these results)

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