A0A077Z8M5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8M5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 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
1M43.4Very low68.5Low238 Ų238108.9 Ų108.9100%1.17259%0.585SS**  0121.60-85.3174.315900107.6S3M1-S3 PolarHBondContact O-N 3.44Å
2P50.3Low69.8Low123 Ų123109 Ų10980%0.79958%0.581SS**  trans-64.3130.8175.726.9-31.2000109K4P2-K4 PolarHBondContact O-N 3.14Å; P2-K4 VanDerWaalsContact O-N 3.08Å
3S64.4Low70.8Confident104 Ų104108.2 Ų108.273%0.72757%0.57SS**  trans-63.7108.7171.854.10000108.1M1 E5M1-S3 PolarHBondContact O-N 3.44Å; S3-E5 PolarHBondContact O-N 3.08Å; S3-E5 VanDerWaalsContact O-N 3.14Å
4K66.7Low71.5Confident149 Ų149109.2 Ų109.265%0.64857%0.572SS**  trans-69109.4166.1-68.7-174.3177.9-173.60106.2P2 H6 Q27P2-K4 PolarHBondContact O-N 3.14Å; P2-K4 VanDerWaalsContact O-N 3.08Å; K4-H6 PolarHBondContact O-CD2 3.43Å; K4-H6 VanDerWaalsContact O-CD2 3.27Å; K4-H6 PolarHBondContact O-N 3.02Å; K4-Q27 HydrophobicContact CD-CG 4.47Å
5E70.4Confident72.2Confident137 Ų137104.9 Ų104.964%0.6455%0.552SS**PPolyproline II helixtrans-71.5125.4171.3-66.5-174.1160.500108.3S3S3-E5 PolarHBondContact O-N 3.08Å; S3-E5 VanDerWaalsContact O-N 3.14Å
6H69.7Low72.6Confident81 Ų81105.8 Ų105.838%0.37557%0.57SS.*EExtended strand (participates in β ladder)trans-98.5127173-72.1-106.3000108.1K4 Q27 E105K4-H6 PolarHBondContact O-CD2 3.43Å; K4-H6 VanDerWaalsContact O-CD2 3.27Å; K4-H6 PolarHBondContact O-N 3.02Å; H6-Q27 PolarHBondContact CE1-NE2 3.2Å; H6-Q27 PolarHBondContact NE2-NE2 3.27Å; H6-E105 IonicContact ND1-OE1 3.86Å
7H72.4Confident72.8Confident103 Ų103106.5 Ų106.548%0.47757%0.573SS.*EExtended strand (participates in β ladder)trans-101.4118.9173.3-64.2-72.1000109.8I26H7-I26 HydrophobicContact CB-CB 4.37Å; H7-I26 PolarHBondContact N-O 3.47Å; H7-I26 PolarHBondContact O-N 2.96Å
8F75.7Confident73.2Confident78 Ų78100.8 Ų100.834%0.34254%0.544SS..EExtended strand (participates in β ladder)trans-95.1120.2173.8-173-93.2000110.1A10 S23 I25 L98F8-A10 HydrophobicContact CD1-CB 4.45Å; F8-A10 HydrophobicContact CE1-CB 3.72Å; F8-A10 HydrophobicContact CZ-CB 4.39Å; F8-S23 VanDerWaalsContact CZ-CB 3.44Å; F8-I25 HydrophobicContact CD2-CG1 3.97Å; F8-I25 HydrophobicContact CE2-CG1 4.3Å; F8-L98 HydrophobicContact CE1-CD2 3.95Å; F8-L98 HydrophobicContact CZ-CD2 3.94Å
9I78.7Confident73.7Confident88 Ų8895.6 Ų95.645%0.45152%0.516SS..EExtended strand (participates in β ladder)trans-119.2116.7177.7-57.5-178.5000108.6S23 F24 I26I9-S23 CarbonylContact O-C 3.53Å; I9-S23 WeakPolarHBondContact O-CA 3.38Å; I9-F24 HydrophobicContact CB-CB 4.42Å; I9-F24 PolarHBondContact N-O 2.85Å; I9-F24 PolarHBondContact O-N 2.95Å; I9-I26 HydrophobicContact CD1-CD1 3.61Å; I9-I26 HydrophobicContact CG1-CD1 4.4Å
10A80.4Confident74.1Confident51 Ų5197.1 Ų97.142%0.42151%0.514SS..EExtended strand (participates in β ladder)trans-113.3131.917300000111.7F8 L21 V22 L98F8-A10 HydrophobicContact CD1-CB 4.45Å; F8-A10 HydrophobicContact CE1-CB 3.72Å; F8-A10 HydrophobicContact CZ-CB 4.39Å; A10-L21 HydrophobicContact CB-CD1 4.49Å; A10-V22 CarbonylContact C-O 3.43Å; A10-V22 WeakPolarHBondContact CA-O 3.28Å; A10-L98 HydrophobicContact CB-CD2 4.29Å
11A81.8Confident74.5Confident46 Ų4692.7 Ų92.738%0.3849%0.491SS..EExtended strand (participates in β ladder)trans-113.7132.4172.300000109.8L21 V22A11-L21 WeakPolarHBondContact O-CA 3.35Å; A11-V22 PolarHBondContact N-O 3.37Å; A11-V22 PolarHBondContact O-N 3.1Å
12M83.6Confident76.4Confident110 Ų11082.9 Ų82.954%0.54244%0.444SS..EExtended strand (participates in β ladder)trans-124134.2177.2-174.9177.961.100109.4I19 R20 L21 V94M12-I19 HydrophobicContact CG-CG2 3.41Å; M12-I19 VanDerWaalsContact CG-CG2 3.41Å; M12-I19 HydrophobicContact SD-CG2 3.7Å; M12-R20 WeakPolarHBondContact CA-O 3.33Å; M12-L21 HydrophobicContact CB-CD1 3.85Å; M12-L21 HydrophobicContact CG-CD1 4.29Å; M12-V94 HydrophobicContact SD-CG1 4.17Å; M12-V94 HydrophobicContact SD-CG2 3.54Å; M12-V94 VanDerWaalsContact SD-CG2 3.54Å
13F83.2Confident77.7Confident98 Ų9877 Ų7743%0.4341%0.406SS..EExtended strand (participates in β ladder)trans-140.2143.3176.355.4-84.7000111.8V15 R20 V22F13-V15 HydrophobicContact CD2-CG1 3.82Å; F13-V15 HydrophobicContact CE2-CG1 3.86Å; F13-R20 HydrophobicContact CD1-CB 4.42Å; F13-R20 HydrophobicContact CD2-CB 4.11Å; F13-R20 HydrophobicContact CE1-CB 3.96Å; F13-R20 HydrophobicContact CE2-CB 3.65Å; F13-R20 HydrophobicContact CE2-CG 4.02Å; F13-R20 HydrophobicContact CG-CB 4.49Å; F13-R20 HydrophobicContact CZ-CB 3.56Å; F13-R20 HydrophobicContact CZ-CG 4.25Å; F13-R20 PolarHBondContact N-O 3.46Å; F13-R20 PolarHBondContact O-N 3.41Å; F13-V22 HydrophobicContact CE1-CG2 4.15Å
14M80Confident78.3Confident123 Ų12375.4 Ų75.461%0.60639%0.386SS*.EExtended strand (participates in β ladder)trans-76.2135.2175.6-65.1-72.9-57.100109.4I19 F86M14-I19 HydrophobicContact CE-CG1 4.31Å; M14-I19 HydrophobicContact SD-CD1 3.61Å; M14-I19 HydrophobicContact SD-CG1 3.29Å; M14-I19 WeakPolarHBondContact SD-CG1 3.49Å; M14-F86 HydrophobicContact CE-CE1 4.3Å; M14-F86 HydrophobicContact CE-CZ 3.88Å
15V81.8Confident78.6Confident44 Ų4468.5 Ų68.527%0.26736%0.356SS..EExtended strand (participates in β ladder)trans-122162.5170.3-64.70000109.2F13 N17 G18 R20F13-V15 HydrophobicContact CD2-CG1 3.82Å; F13-V15 HydrophobicContact CE2-CG1 3.86Å; V15-N17 PolarHBondContact O-N 3.49Å; V15-G18 WeakPolarHBondContact CG2-O 3.5Å; V15-G18 PolarHBondContact N-O 3.42Å; V15-G18 PolarHBondContact O-N 3.21Å; V15-R20 HydrophobicContact CG1-CG 3.94Å; V15-R20 HydrophobicContact CG2-CG 4.03Å
16S79.2Confident78.6Confident120 Ų12064.3 Ų64.384%0.83934%0.337SS*.THydrogen-bonded Turntrans-49.7-30.7-176.454.10000114.6
17N76.3Confident78.6Confident117 Ų11762.2 Ų62.263%0.62633%0.328SS*.THydrogen-bonded Turntrans-108.713.8-177.1-64.8-37.7000114.3V15 R41 V42V15-N17 PolarHBondContact O-N 3.49Å; N17-R41 WeakPolarHBondContact O-CA 3.34Å; N17-V42 PolarHBondContact O-N 3.18Å
18G80.2Confident78.4Confident5 Ų561.1 Ų61.15%0.05233%0.331CS..EExtended strand (participates in β ladder)trans142.3-133.2176.400000114.1V15 C40V15-G18 WeakPolarHBondContact CG2-O 3.5Å; V15-G18 PolarHBondContact N-O 3.42Å; V15-G18 PolarHBondContact O-N 3.21Å; G18-C40 CarbonylContact C-O 3.48Å; G18-C40 VanDerWaalsContact CA-O 3.23Å; G18-C40 WeakPolarHBondContact CA-O 3.21Å
19I81.4Confident78Confident1 Ų165.9 Ų65.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-127.9143.1-174.6-70.9168.5000110.3M12 M14 T39 C40 V90 V94M12-I19 HydrophobicContact CG-CG2 3.41Å; M12-I19 VanDerWaalsContact CG-CG2 3.41Å; M12-I19 HydrophobicContact SD-CG2 3.7Å; M14-I19 HydrophobicContact CE-CG1 4.31Å; M14-I19 HydrophobicContact SD-CD1 3.61Å; M14-I19 HydrophobicContact SD-CG1 3.29Å; M14-I19 WeakPolarHBondContact SD-CG1 3.49Å; I19-T39 CarbonylContact O-C 3.52Å; I19-T39 VanDerWaalsContact O-CA 3.3Å; I19-T39 WeakPolarHBondContact O-CA 3.25Å; I19-C40 HydrophobicContact CB-CB 4.16Å; I19-C40 PolarHBondContact N-O 3.46Å; I19-C40 PolarHBondContact O-N 3.5Å; I19-V90 HydrophobicContact CD1-CB 3.76Å; I19-V90 HydrophobicContact CD1-CG1 3.06Å; I19-V90 HydrophobicContact CD1-CG2 3.4Å; I19-V90 VanDerWaalsContact CD1-CG2 3.4Å; I19-V90 HydrophobicContact CG1-CG2 4.45Å; I19-V94 HydrophobicContact CG2-CG2 4.29Å
20R81.9Confident77.4Confident126 Ų12670 Ų7048%0.47537%0.372SS..EExtended strand (participates in β ladder)trans-113.1140.1166.2-61.3-165.5-179.6-150.93109.5M12 F13 V15 G38 T39M12-R20 WeakPolarHBondContact CA-O 3.33Å; F13-R20 HydrophobicContact CD1-CB 4.42Å; F13-R20 HydrophobicContact CD2-CB 4.11Å; F13-R20 HydrophobicContact CE1-CB 3.96Å; F13-R20 HydrophobicContact CE2-CB 3.65Å; F13-R20 HydrophobicContact CE2-CG 4.02Å; F13-R20 HydrophobicContact CG-CB 4.49Å; F13-R20 HydrophobicContact CZ-CB 3.56Å; F13-R20 HydrophobicContact CZ-CG 4.25Å; F13-R20 PolarHBondContact N-O 3.46Å; F13-R20 PolarHBondContact O-N 3.41Å; V15-R20 HydrophobicContact CG1-CG 3.94Å; V15-R20 HydrophobicContact CG2-CG 4.03Å; R20-G38 WeakPolarHBondContact CA-O 3.5Å; R20-T39 HydrophobicContact CG-CG2 4.27Å
21L83.7Confident76.8Confident5 Ų572.8 Ų72.83%0.02638%0.376CS..EExtended strand (participates in β ladder)trans-118.7136.3172.9-172.676000107.8A10 A11 M12 A37 G38 I97 L98A10-L21 HydrophobicContact CB-CD1 4.49Å; A11-L21 WeakPolarHBondContact O-CA 3.35Å; M12-L21 HydrophobicContact CB-CD1 3.85Å; M12-L21 HydrophobicContact CG-CD1 4.29Å; L21-A37 CarbonylContact O-C 3.49Å; L21-A37 VanDerWaalsContact O-CA 3.29Å; L21-A37 WeakPolarHBondContact O-CA 3.38Å; L21-G38 PolarHBondContact N-O 3.37Å; L21-G38 PolarHBondContact O-N 2.87Å; L21-I97 HydrophobicContact CB-CD1 4.3Å; L21-I97 HydrophobicContact CD2-CB 3.8Å; L21-I97 HydrophobicContact CD2-CG2 3.52Å; L21-L98 HydrophobicContact CD2-CD2 3.86Å; L21-L98 HydrophobicContact CD2-CG 3.96Å
22V82Confident76.2Confident31 Ų3175 Ų7519%0.18838%0.381CS..EExtended strand (participates in β ladder)trans-127.3129.1168.3-1750000107A10 A11 F13 F24 T35 I36A10-V22 CarbonylContact C-O 3.43Å; A10-V22 WeakPolarHBondContact CA-O 3.28Å; A11-V22 PolarHBondContact N-O 3.37Å; A11-V22 PolarHBondContact O-N 3.1Å; F13-V22 HydrophobicContact CE1-CG2 4.15Å; V22-F24 HydrophobicContact CB-CE2 4.36Å; V22-F24 HydrophobicContact CB-CZ 4.45Å; V22-F24 HydrophobicContact CG1-CD2 4.36Å; V22-F24 HydrophobicContact CG1-CE1 3.93Å; V22-F24 HydrophobicContact CG1-CE2 3.62Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; V22-T35 HydrophobicContact CG1-CG2 3.7Å; V22-I36 CarbonylContact C-O 3.48Å; V22-I36 VanDerWaalsContact CA-O 3.25Å; V22-I36 WeakPolarHBondContact CA-O 3.43Å
23S79.1Confident75.4Confident0 Ų073.2 Ų73.20%037%0.373CS..EExtended strand (participates in β ladder)trans-122.3140175.4-52.80000109.8F8 I9 T35 I36F8-S23 VanDerWaalsContact CZ-CB 3.44Å; I9-S23 CarbonylContact O-C 3.53Å; I9-S23 WeakPolarHBondContact O-CA 3.38Å; S23-T35 CarbonylContact O-C 3.53Å; S23-T35 WeakPolarHBondContact O-CA 3.21Å; S23-I36 PolarHBondContact N-O 3.24Å; S23-I36 PolarHBondContact O-N 3.15Å
24F76.3Confident74.6Confident70 Ų7071.3 Ų71.331%0.30737%0.369SS..EExtended strand (participates in β ladder)trans-122.3135.1-179.5-56.7-81.9000108.4I9 V22 L32 V34 T35I9-F24 HydrophobicContact CB-CB 4.42Å; I9-F24 PolarHBondContact N-O 2.85Å; I9-F24 PolarHBondContact O-N 2.95Å; V22-F24 HydrophobicContact CB-CE2 4.36Å; V22-F24 HydrophobicContact CB-CZ 4.45Å; V22-F24 HydrophobicContact CG1-CD2 4.36Å; V22-F24 HydrophobicContact CG1-CE1 3.93Å; V22-F24 HydrophobicContact CG1-CE2 3.62Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; F24-L32 HydrophobicContact CB-CD1 3.7Å; F24-L32 HydrophobicContact CD1-CD1 3.73Å; F24-L32 HydrophobicContact CD1-CD2 4.27Å; F24-L32 HydrophobicContact CG-CD1 4.18Å; F24-V34 WeakPolarHBondContact CA-O 3.42Å; F24-T35 HydrophobicContact CD1-CG2 4.09Å; F24-T35 HydrophobicContact CE1-CG2 3.83Å
25I73.2Confident74.1Confident5 Ų568.9 Ų68.93%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-109.5119.7170.3-51.6-178000107.4F8 I33 V34 E105F8-I25 HydrophobicContact CD2-CG1 3.97Å; F8-I25 HydrophobicContact CE2-CG1 4.3Å; I25-I33 HydrophobicContact CB-CB 4.37Å; I25-I33 HydrophobicContact CB-CD1 4.43Å; I25-I33 HydrophobicContact CG2-CB 4.48Å; I25-I33 HydrophobicContact CG2-CD1 3.66Å; I25-I33 HydrophobicContact CG2-CG1 4.24Å; I25-I33 PolarHBondContact O-N 3.31Å; I25-V34 HydrophobicContact CD1-CB 4.12Å; I25-V34 HydrophobicContact CD1-CG2 4.4Å; I25-V34 HydrophobicContact CG1-CB 4.35Å; I25-V34 PolarHBondContact N-O 3.46Å; I25-E105 HydrophobicContact CD1-CB 4.27Å; I25-E105 HydrophobicContact CD1-CG 4.13Å
26I70.9Confident73.4Confident48 Ų4868.6 Ų68.625%0.24636%0.358CS..EExtended strand (participates in β ladder)trans-108.8117.1-179.3-57.6175.7000108.6H7 I9 S28 E31 L32H7-I26 HydrophobicContact CB-CB 4.37Å; H7-I26 PolarHBondContact N-O 3.47Å; H7-I26 PolarHBondContact O-N 2.96Å; I9-I26 HydrophobicContact CD1-CD1 3.61Å; I9-I26 HydrophobicContact CG1-CD1 4.4Å; I26-S28 VanDerWaalsContact CG2-O 3.28Å; I26-S28 WeakPolarHBondContact CG2-O 3.33Å; I26-E31 CarbonylContact C-O 3.53Å; I26-E31 WeakPolarHBondContact CA-O 3.39Å; I26-L32 HydrophobicContact CG1-CD1 4.43Å
27Q68.7Low73.2Confident38 Ų3866.9 Ų66.918%0.17835%0.351CS..EExtended strand (participates in β ladder)trans-9893.1175.1-152.5167.416.500108.7K4 H6 E31 I33K4-Q27 HydrophobicContact CD-CG 4.47Å; H6-Q27 PolarHBondContact CE1-NE2 3.2Å; H6-Q27 PolarHBondContact NE2-NE2 3.27Å; Q27-E31 HydrophobicContact CB-CB 4.4Å; Q27-E31 PolarHBondContact N-O 2.71Å; Q27-E31 WeakPolarHBondContact O-CB 3.21Å; Q27-I33 HydrophobicContact CB-CD1 3.51Å; Q27-I33 HydrophobicContact CB-CG1 3.57Å; Q27-I33 HydrophobicContact CG-CD1 3.95Å; Q27-I33 HydrophobicContact CG-CG1 4.47Å
28S69.1Low73.3Confident79 Ų7961.8 Ų61.855%0.55233%0.326SS*.SBendtrans61.6167.9-173.382.20000114.2I26 H30 E31I26-S28 VanDerWaalsContact CG2-O 3.28Å; I26-S28 WeakPolarHBondContact CG2-O 3.33Å; S28-H30 PolarHBondContact O-N 2.89Å; S28-E31 PolarHBondContact O-N 2.99Å
29Q67.2Low73.4Confident178 Ų17865 Ų6583%0.83235%0.345SS*.THydrogen-bonded Turntrans-55.1-7.9-157.1-69.1179.9-17.500117.3
30H65.6Low73.4Confident176 Ų17665.3 Ų65.382%0.81535%0.347SS*.THydrogen-bonded Turntrans-141.41.5-171-6469.6000114.9S28S28-H30 PolarHBondContact O-N 2.89Å
31E67.2Low73.4Confident108 Ų10868.5 Ų68.551%0.50536%0.359SS..  trans-116112.6-176.6-160.8173.4-172.300111.2I26 Q27 S28I26-E31 CarbonylContact C-O 3.53Å; I26-E31 WeakPolarHBondContact CA-O 3.39Å; Q27-E31 HydrophobicContact CB-CB 4.4Å; Q27-E31 PolarHBondContact N-O 2.71Å; Q27-E31 WeakPolarHBondContact O-CB 3.21Å; S28-E31 PolarHBondContact O-N 2.99Å
32L68.9Low72.7Confident94 Ų9469.5 Ų69.549%0.49237%0.365SS..EExtended strand (participates in β ladder)trans-87.7114.4167.6177.770.8000108.2F24 I26F24-L32 HydrophobicContact CB-CD1 3.7Å; F24-L32 HydrophobicContact CD1-CD1 3.73Å; F24-L32 HydrophobicContact CD1-CD2 4.27Å; F24-L32 HydrophobicContact CG-CD1 4.18Å; I26-L32 HydrophobicContact CG1-CD1 4.43Å
33I68.4Low71.9Confident72 Ų7278 Ų7837%0.36939%0.394SS..EExtended strand (participates in β ladder)trans-82.3-51.2-177.6-41.2176.8000110.9I25 Q27I25-I33 HydrophobicContact CB-CB 4.37Å; I25-I33 HydrophobicContact CB-CD1 4.43Å; I25-I33 HydrophobicContact CG2-CB 4.48Å; I25-I33 HydrophobicContact CG2-CD1 3.66Å; I25-I33 HydrophobicContact CG2-CG1 4.24Å; I25-I33 PolarHBondContact O-N 3.31Å; Q27-I33 HydrophobicContact CB-CD1 3.51Å; Q27-I33 HydrophobicContact CB-CG1 3.57Å; Q27-I33 HydrophobicContact CG-CD1 3.95Å; Q27-I33 HydrophobicContact CG-CG1 4.47Å
34V64.9Low71.2Confident58 Ų5886 Ų8635%0.35243%0.431SS..EExtended strand (participates in β ladder)trans-145.4136.5-167.6-172.70000110F24 I25 I36F24-V34 WeakPolarHBondContact CA-O 3.42Å; I25-V34 HydrophobicContact CD1-CB 4.12Å; I25-V34 HydrophobicContact CD1-CG2 4.4Å; I25-V34 HydrophobicContact CG1-CB 4.35Å; I25-V34 PolarHBondContact N-O 3.46Å; V34-I36 HydrophobicContact CG1-CD1 4.19Å; V34-I36 HydrophobicContact CG1-CG1 3.79Å
35T69.1Low70.5Confident72 Ų7290.6 Ų90.644%0.44245%0.453SS..EExtended strand (participates in β ladder)trans-113.6121.7167-570000109.9V22 S23 F24V22-T35 HydrophobicContact CG1-CG2 3.7Å; S23-T35 CarbonylContact O-C 3.53Å; S23-T35 WeakPolarHBondContact O-CA 3.21Å; F24-T35 HydrophobicContact CD1-CG2 4.09Å; F24-T35 HydrophobicContact CE1-CG2 3.83Å
36I68.1Low69.5Low38 Ų38101.2 Ų101.220%0.19549%0.493CS..EExtended strand (participates in β ladder)trans-109.9112.8177.5-58.5179.2000108.7V22 S23 V34 I97 S101V22-I36 CarbonylContact C-O 3.48Å; V22-I36 VanDerWaalsContact CA-O 3.25Å; V22-I36 WeakPolarHBondContact CA-O 3.43Å; S23-I36 PolarHBondContact N-O 3.24Å; S23-I36 PolarHBondContact O-N 3.15Å; V34-I36 HydrophobicContact CG1-CD1 4.19Å; V34-I36 HydrophobicContact CG1-CG1 3.79Å; I36-I97 HydrophobicContact CG2-CG2 4.17Å; I36-S101 WeakPolarHBondContact CD1-OG 3.39Å; I36-S101 WeakPolarHBondContact CG2-OG 3.37Å
37A74.1Confident68.6Low83 Ų83104.9 Ų104.969%0.68651%0.509SS*.EExtended strand (participates in β ladder)trans-106.9122.117700000110.2L21L21-A37 CarbonylContact O-C 3.49Å; L21-A37 VanDerWaalsContact O-CA 3.29Å; L21-A37 WeakPolarHBondContact O-CA 3.38Å
38G79.9Confident67.7Low11 Ų11107.4 Ų107.411%0.11353%0.53CS..EExtended strand (participates in β ladder)trans-124.1153.2176.100000111.8R20 L21R20-G38 WeakPolarHBondContact CA-O 3.5Å; L21-G38 PolarHBondContact N-O 3.37Å; L21-G38 PolarHBondContact O-N 2.87Å
39T81.8Confident66.7Low73 Ų73108.4 Ų108.445%0.44854%0.537SS..EExtended strand (participates in β ladder)trans-134.5124.1175.3-61.70000110.8I19 R20 R41I19-T39 CarbonylContact O-C 3.52Å; I19-T39 VanDerWaalsContact O-CA 3.3Å; I19-T39 WeakPolarHBondContact O-CA 3.25Å; R20-T39 HydrophobicContact CG-CG2 4.27Å; T39-R41 HydrophobicContact CG2-CG 4.21Å
40C82.1Confident66.1Low6 Ų6104.6 Ų104.64%0.04153%0.53CS..EExtended strand (participates in β ladder)trans-97.3105.4173.1-57.10000109G18 I19 C93G18-C40 CarbonylContact C-O 3.48Å; G18-C40 VanDerWaalsContact CA-O 3.23Å; G18-C40 WeakPolarHBondContact CA-O 3.21Å; I19-C40 HydrophobicContact CB-CB 4.16Å; I19-C40 PolarHBondContact N-O 3.46Å; I19-C40 PolarHBondContact O-N 3.5Å; C40-C93 WeakPolarHBondContact CA-SG 3.23Å; C40-C93 HydrophobicContact CB-CB 3.68Å; C40-C93 WeakPolarHBondContact CB-SG 3.08Å; C40-C93 WeakPolarHBondContact SG-CB 3.36Å; C40-C93 CovalentContact SG-SG 2Å; C40-C93 PolarHBondContact SG-SG 2.88Å
41R80.3Confident65.1Low193 Ų193103.4 Ų103.473%0.72853%0.528SS*.EExtended strand (participates in β ladder)trans-85.7116.4173.5-69-173.8180174.6-0.8110N17 T39 R43N17-R41 WeakPolarHBondContact O-CA 3.34Å; T39-R41 HydrophobicContact CG2-CG 4.21Å; R41-R43 PolarHBondContact O-N 3.06Å
42V69.1Low64.4Low26 Ų26102.9 Ų102.916%0.15854%0.536CS..  trans-94.192.7173.9-173.10000108.2N17 H44 F86 V90N17-V42 PolarHBondContact O-N 3.18Å; V42-H44 PolarHBondContact O-N 2.97Å; V42-F86 HydrophobicContact CB-CD2 4.46Å; V42-F86 HydrophobicContact CB-CE2 3.96Å; V42-F86 HydrophobicContact CG1-CD2 3.82Å; V42-F86 HydrophobicContact CG1-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CD2 4.4Å; V42-F86 HydrophobicContact CG2-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CZ 4.46Å; V42-V90 HydrophobicContact CG2-CG2 4.11Å
43R67.1Low63.5Low211 Ų211104 Ų10480%0.79655%0.549SS*.  trans-69.2118.7169.7-71-174.1178.2174.30.3108.6R41 H45R41-R43 PolarHBondContact O-N 3.06Å; R43-H45 PolarHBondContact O-N 3.06Å; R43-H45 VanDerWaalsContact O-N 3.15Å
44H64.3Low62.8Low168 Ų168109.8 Ų109.878%0.77857%0.572SS**  trans-60.4117.5160.7-68.5-77.6000107V42 R46V42-H44 PolarHBondContact O-N 2.97Å; H44-R46 PolarHBondContact O-N 2.97Å
45H60.9Low62.3Low166 Ų166116.1 Ų116.177%0.76959%0.594SS**  trans-60.4109.1166.5-167.4-66.8000105.5R43 Q47R43-H45 PolarHBondContact O-N 3.06Å; R43-H45 VanDerWaalsContact O-N 3.15Å; H45-Q47 PolarHBondContact O-N 2.84Å
46R52.4Low61.6Low227 Ų227118.3 Ų118.386%0.85761%0.608SS**  trans-51.7110.1174.3-143.4176.2-171.4177.71.2104.8H44 C48H44-R46 PolarHBondContact O-N 2.97Å; R46-C48 PolarHBondContact O-N 2.87Å
47Q50.9Low61.1Low126 Ų126119.7 Ų119.759%0.58963%0.625SS**  trans-66122.7169.6-69.2177.945.800104H45 S49 R82H45-Q47 PolarHBondContact O-N 2.84Å; Q47-S49 VanDerWaalsContact C-N 3.26Å; Q47-S49 PolarHBondContact O-N 2.69Å; Q47-R82 VanDerWaalsContact NE2-CZ 3.32Å
48C50.1Low60.3Low90 Ų90122.1 Ų122.161%0.60863%0.626SS**  trans-58.898.1169.7-66.20000106.9R46 S50R46-C48 PolarHBondContact O-N 2.87Å; C48-S50 PolarHBondContact O-N 3.13Å; C48-S50 VanDerWaalsContact O-N 3.08Å
49S48.7Very low59.6Low101 Ų101129.7 Ų129.771%0.70666%0.658SS**  trans-77.484.8166.451.60000106.3Q47 I51Q47-S49 VanDerWaalsContact C-N 3.26Å; Q47-S49 PolarHBondContact O-N 2.69Å; S49-I51 PolarHBondContact O-N 3.24Å
50S53.6Low58.5Low97 Ų97133.7 Ų133.768%0.67868%0.677SS**  trans-70.776.3162.462.90000107.9C48 S52C48-S50 PolarHBondContact O-N 3.13Å; C48-S50 VanDerWaalsContact O-N 3.08Å; S50-S52 PolarHBondContact O-N 3.17Å
51I45.3Very low57.2Low151 Ų151136.9 Ų136.977%0.77471%0.711SS**  trans-85.284.6157.9-58.9174000104.4S49S49-I51 PolarHBondContact O-N 3.24Å
52S52.7Low56.2Low98 Ų98133.9 Ų133.969%0.68572%0.72SS**  trans-68.1129.4161.5-66.80000107.2S50 K54S50-S52 PolarHBondContact O-N 3.17Å; S52-K54 PolarHBondContact O-N 3.08Å
53P50.4Low55.7Low116 Ų116140.3 Ų140.375%0.75375%0.752SS**  trans-60.1130.817223.6-30000108.4K55P53-K55 VanDerWaalsContact C-N 3.29Å; P53-K55 PolarHBondContact O-N 3.02Å
54K53.9Low54.9Low195 Ų195137.3 Ų137.385%0.84875%0.752SS**  trans-63.293.9174.2-155.7179.5-173.4-173.50106.9S52 T56S52-K54 PolarHBondContact O-N 3.08Å; K54-T56 VanDerWaalsContact C-N 3.31Å; K54-T56 PolarHBondContact O-N 3.18Å
55K54.2Low54.6Low190 Ų190135.3 Ų135.383%0.82676%0.757SS**  trans-69.791.1171.4-164.1-175.4-174.4-171.50106.8P53 A57P53-K55 VanDerWaalsContact C-N 3.29Å; P53-K55 PolarHBondContact O-N 3.02Å; K55-A57 HydrophobicContact CD-CB 4.39Å; K55-A57 HydrophobicContact CG-CB 4.05Å; K55-A57 PolarHBondContact O-N 3.26Å; K55-A57 VanDerWaalsContact O-N 3.13Å
56T53.2Low54.4Low118 Ų118130.6 Ų130.672%0.72475%0.753SS**  trans-77.580.3158.744.70000106.5K54K54-T56 VanDerWaalsContact C-N 3.31Å; K54-T56 PolarHBondContact O-N 3.18Å
57A59.3Low54.2Low67 Ų67125.3 Ų125.355%0.55476%0.758SS**  trans-97.687.4162.600000106K55K55-A57 HydrophobicContact CD-CB 4.39Å; K55-A57 HydrophobicContact CG-CB 4.05Å; K55-A57 PolarHBondContact O-N 3.26Å; K55-A57 VanDerWaalsContact O-N 3.13Å
58D55.6Low54.5Low134 Ų134124.4 Ų124.472%0.71777%0.766SS**  trans-70.3139.8151.4-71.9-46.5000106.8
59H65.9Low54.5Low171 Ų171123.1 Ų123.179%0.79277%0.767SS**SBendtrans97108.5175.1-55.8-74.6000118.5
60D58.6Low54.6Low156 Ų156126.2 Ų126.283%0.83478%0.776SS**  trans56.8112.3141.7-71.8-34.7000121.5
61G54.5Low54.6Low74 Ų74125.4 Ų125.476%0.76377%0.769SS**  trans75.898.4130.800000118.2
62S58.7Low55Low129 Ų129124.2 Ų124.290%0.90277%0.772SS**  trans174.5139131.339.50000111.6
63L59.7Low55.2Low161 Ų161125 Ų12584%0.84378%0.778SS**  trans-80.6159.1-179.8-77.2152.9000112.2
64D49.5Very low55.3Low148 Ų148128.8 Ų128.879%0.79178%0.782SS**  trans61.1112.1160.6-70.6-26000119
65S59Low55.2Low127 Ų127128.3 Ų128.389%0.88878%0.783SS**  165.7134.3116.1-74.60000111.3
66G55.6Low55.1Low67 Ų67130.7 Ų130.769%0.69179%0.786SS**  trans116.696.5144.400000115.6S68G66-S68 PolarHBondContact O-N 3.35Å
67A48Very low54.9Low115 Ų115128.4 Ų128.495%0.9577%0.774SS**  trans-42.6111.6153.400000110.5
68S57.8Low54.7Low108 Ų108129.1 Ų129.176%0.75577%0.774SS**  trans-119109.2161.8560000107G66G66-S68 PolarHBondContact O-N 3.35Å
69G50.9Low54.8Low62 Ų62128.5 Ų128.564%0.63978%0.776SS**  trans-57.2159.4169.200000109.9
70N49.8Very low54.3Low166 Ų166126.8 Ų126.889%0.88877%0.773SS**  trans-178.9130.9142.3-89.3-31.1000113.5
71C53.4Low54.1Low80 Ų80120.9 Ų120.954%0.54175%0.748SS.*  trans56122.9164.4-86.10000119.3S73C71-S73 PolarHBondContact O-N 2.8Å
72P53.7Low54Low126 Ų126123 Ų12382%0.81873%0.733SS**  trans-56.3129172.323.8-31.7000110K74P72-K74 PolarHBondContact O-N 2.73Å; P72-K74 VanDerWaalsContact O-N 3.14Å
73S56.7Low53.7Low116 Ų116125.1 Ų125.181%0.81173%0.729SS**  trans-50.4118.7179.852.70000110.6C71 Q75C71-S73 PolarHBondContact O-N 2.8Å; S73-Q75 PolarHBondContact O-N 2.83Å
74K52.6Low53.8Low194 Ų194122.9 Ų122.984%0.84372%0.718SS**  trans-35.799.7171.2-63.6167.6178.8172.30112.3P72 R76P72-K74 PolarHBondContact O-N 2.73Å; P72-K74 VanDerWaalsContact O-N 3.14Å; K74-R76 PolarHBondContact O-N 3.38Å
75Q52.8Low54.8Low185 Ų185120.3 Ų120.386%0.86470%0.702SS**  trans-64.3115.4144.1-82.8-175.3-7.600106.1S73 P77S73-Q75 PolarHBondContact O-N 2.83Å; Q75-P77 WeakPolarHBondContact O-CD 3.31Å
76R51.9Low55.4Low240 Ų240118.6 Ų118.691%0.90668%0.679SS**  trans-60107.4177.7-153.2178.2-167.6178.52.8106.9K74 S78K74-R76 PolarHBondContact O-N 3.38Å; R76-S78 PolarHBondContact O-N 2.94Å
77P49.5Very low56.3Low71 Ų71117.3 Ų117.346%0.46167%0.665SS.*  trans-70.4120.7175.2-3.220.5000105.7Q75 T79Q75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-T79 PolarHBondContact O-N 2.98Å; P77-T79 VanDerWaalsContact O-N 3.14Å
78S55.1Low57.8Low81 Ų81118.5 Ų118.557%0.56665%0.649SS**  trans-39.7122.3168.6160.20000109.1R76 N80 G81R76-S78 PolarHBondContact O-N 2.94Å; S78-N80 PolarHBondContact O-N 3.46Å; S78-N80 PolarHBondContact OG-N 3.19Å; S78-G81 PolarHBondContact O-N 2.85Å
79T57.5Low58.8Low122 Ų122118.9 Ų118.975%0.74864%0.637SS**THydrogen-bonded Turntrans-61.3-14.7-177.334.70000112.7P77P77-T79 PolarHBondContact O-N 2.98Å; P77-T79 VanDerWaalsContact O-N 3.14Å
80N55.3Low60Low135 Ų135117 Ų11772%0.72261%0.613SS**THydrogen-bonded Turntrans-84.1-8171.8-69.4-1.4000113.9S78S78-N80 PolarHBondContact O-N 3.46Å; S78-N80 PolarHBondContact OG-N 3.19Å
81G54Low61.5Low31 Ų31115.6 Ų115.632%0.3260%0.599SS.*THydrogen-bonded Turntrans-95.4-14.7177.200000115S78S78-G81 PolarHBondContact O-N 2.85Å
82R52.1Low63Low120 Ų120115.7 Ų115.745%0.45360%0.595SS.*Hα-helixtrans-79.8-35.3-172.8-115.9-179178.7177.92.1113.9Q47 N84 M85Q47-R82 VanDerWaalsContact NE2-CZ 3.32Å; R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 2.91Å; R82-M85 HydrophobicContact CG-CE 3.77Å; R82-M85 PolarHBondContact O-N 2.76Å
83Q53.5Low64.5Low173 Ų173111.3 Ų111.381%0.80857%0.567SS**Hα-helixtrans-69.4-27.9174.5-72.3-178.4-14.500111.7M85Q83-M85 VanDerWaalsContact C-N 3.29Å; Q83-M85 PolarHBondContact O-N 2Å
84N62.4Low65.6Low113 Ų113106.8 Ų106.860%0.60453%0.534SS*.Hα-helixtrans-71.5-21.2176.1-65.6-6.9000113.2R82 K88R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 2.91Å; N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.88Å
85M68.6Low67Low95 Ų95100.6 Ų100.647%0.46851%0.513SS..Hα-helixtrans-76.7-34.4-177.9-81.8-166.8-83.900113.7R82 Q83 K89R82-M85 HydrophobicContact CG-CE 3.77Å; R82-M85 PolarHBondContact O-N 2.76Å; Q83-M85 VanDerWaalsContact C-N 3.29Å; Q83-M85 PolarHBondContact O-N 2Å; M85-K89 WeakPolarHBondContact O-CB 3.2Å; M85-K89 VanDerWaalsContact O-CG 3.23Å; M85-K89 WeakPolarHBondContact O-CG 3.29Å; M85-K89 PolarHBondContact O-N 2.83Å
86F73.3Confident68.5Low90 Ų9095.3 Ų95.340%0.39550%0.496SS..Hα-helixtrans-67.3-54.7176.6-178.8-94.9000110M14 V42 K88 K89 V90M14-F86 HydrophobicContact CE-CE1 4.3Å; M14-F86 HydrophobicContact CE-CZ 3.88Å; V42-F86 HydrophobicContact CB-CD2 4.46Å; V42-F86 HydrophobicContact CB-CE2 3.96Å; V42-F86 HydrophobicContact CG1-CD2 3.82Å; V42-F86 HydrophobicContact CG1-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CD2 4.4Å; V42-F86 HydrophobicContact CG2-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CZ 4.46Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 2.76Å; F86-K89 PolarHBondContact O-N 2.83Å; F86-V90 HydrophobicContact CD1-CG2 4.12Å; F86-V90 HydrophobicContact CE1-CG2 3.65Å; F86-V90 HydrophobicContact CE2-CG2 4.18Å; F86-V90 HydrophobicContact CZ-CG2 3.67Å; F86-V90 WeakPolarHBondContact O-CB 3.33Å; F86-V90 WeakPolarHBondContact O-CG2 2.92Å; F86-V90 PolarHBondContact O-N 3.07Å
87G74.1Confident69.7Low40 Ų4085 Ų8541%0.41246%0.459SS..Hα-helixtrans-56-44.8178.100000112.3V90 F91G87-V90 PolarHBondContact O-N 3.18Å; G87-F91 WeakPolarHBondContact O-CB 2.91Å; G87-F91 PolarHBondContact O-N 2.8Å
88K78.2Confident71Confident141 Ų14184 Ų8461%0.61345%0.449SS*.Hα-helixtrans-64.3-41.4177.4-173173.8-176.4175.80113.2N84 F86 N92N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.88Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 2.76Å; K88-N92 VanDerWaalsContact O-CB 3.31Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 2.95Å; K88-N92 PolarHBondContact O-OD1 3.38Å
89K79.2Confident72.3Confident116 Ų11687.4 Ų87.450%0.50445%0.451SS..Hα-helixtrans-66-42.2177.5-77.6178.8180-1740111.9M85 F86 C93M85-K89 WeakPolarHBondContact O-CB 3.2Å; M85-K89 VanDerWaalsContact O-CG 3.23Å; M85-K89 WeakPolarHBondContact O-CG 3.29Å; M85-K89 PolarHBondContact O-N 2.83Å; F86-K89 PolarHBondContact O-N 2.83Å; K89-C93 WeakPolarHBondContact O-CB 3.48Å; K89-C93 PolarHBondContact O-N 2.89Å; K89-C93 VanDerWaalsContact O-N 3.13Å
90V76.9Confident73.1Confident21 Ų2186.3 Ų86.313%0.12744%0.443CS..Hα-helixtrans-61-53.8174.2156.90000110.5I19 V42 F86 G87 N92 C93 V94I19-V90 HydrophobicContact CD1-CB 3.76Å; I19-V90 HydrophobicContact CD1-CG1 3.06Å; I19-V90 HydrophobicContact CD1-CG2 3.4Å; I19-V90 VanDerWaalsContact CD1-CG2 3.4Å; I19-V90 HydrophobicContact CG1-CG2 4.45Å; V42-V90 HydrophobicContact CG2-CG2 4.11Å; F86-V90 HydrophobicContact CD1-CG2 4.12Å; F86-V90 HydrophobicContact CE1-CG2 3.65Å; F86-V90 HydrophobicContact CE2-CG2 4.18Å; F86-V90 HydrophobicContact CZ-CG2 3.67Å; F86-V90 WeakPolarHBondContact O-CB 3.33Å; F86-V90 WeakPolarHBondContact O-CG2 2.92Å; F86-V90 PolarHBondContact O-N 3.07Å; G87-V90 PolarHBondContact O-N 3.18Å; V90-N92 PolarHBondContact O-N 3.03Å; V90-C93 PolarHBondContact O-N 3.35Å; V90-C93 VanDerWaalsContact O-N 3.17Å; V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 WeakPolarHBondContact O-CG2 3.45Å; V90-V94 PolarHBondContact O-N 3.05Å
91F80.9Confident73.8Confident137 Ų13779.9 Ų79.960%0.60141%0.409SS*.Hα-helixtrans-56.2-52.9-179.2-178.2-94.5000111.1G87 C93 V94 T95G87-F91 WeakPolarHBondContact O-CB 2.91Å; G87-F91 PolarHBondContact O-N 2.8Å; F91-C93 VanDerWaalsContact C-N 3.26Å; F91-C93 PolarHBondContact O-N 2.81Å; F91-V94 PolarHBondContact O-N 2.94Å; F91-T95 WeakPolarHBondContact O-CB 3.35Å; F91-T95 PolarHBondContact O-N 3.41Å; F91-T95 PolarHBondContact O-OG1 3.36Å
92N84.5Confident74.5Confident82 Ų8282.8 Ų82.844%0.43942%0.417SS..Hα-helixtrans-57.1-40.7178.8-73.51.5000112.6K88 V90 S96K88-N92 VanDerWaalsContact O-CB 3.31Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 2.95Å; K88-N92 PolarHBondContact O-OD1 3.38Å; V90-N92 PolarHBondContact O-N 3.03Å; N92-S96 WeakPolarHBondContact O-CB 3.3Å; N92-S96 PolarHBondContact O-N 3.2Å; N92-S96 PolarHBondContact O-OG 3.47Å
93C85Confident75.5Confident35 Ų3580.8 Ų80.824%0.23642%0.415CS..Hα-helixtrans-69.7-43.9179.5-179.70000112.1C40 K89 V90 F91 S96 I97C40-C93 WeakPolarHBondContact CA-SG 3.23Å; C40-C93 HydrophobicContact CB-CB 3.68Å; C40-C93 WeakPolarHBondContact CB-SG 3.08Å; C40-C93 WeakPolarHBondContact SG-CB 3.36Å; C40-C93 CovalentContact SG-SG 2Å; C40-C93 PolarHBondContact SG-SG 2.88Å; K89-C93 WeakPolarHBondContact O-CB 3.48Å; K89-C93 PolarHBondContact O-N 2.89Å; K89-C93 VanDerWaalsContact O-N 3.13Å; V90-C93 PolarHBondContact O-N 3.35Å; V90-C93 VanDerWaalsContact O-N 3.17Å; F91-C93 VanDerWaalsContact C-N 3.26Å; F91-C93 PolarHBondContact O-N 2.81Å; C93-S96 WeakPolarHBondContact O-CB 3.33Å; C93-S96 PolarHBondContact O-N 3.33Å; C93-I97 WeakPolarHBondContact O-CG1 3.39Å; C93-I97 PolarHBondContact O-N 3.14Å; C93-I97 VanDerWaalsContact O-N 3.08Å
94V79.6Confident76Confident21 Ų2174.9 Ų74.913%0.12740%0.4CS..Hα-helixtrans-63.2-46.8176.9173.70000111M12 I19 V90 F91 S96 I97 L98M12-V94 HydrophobicContact SD-CG1 4.17Å; M12-V94 HydrophobicContact SD-CG2 3.54Å; M12-V94 VanDerWaalsContact SD-CG2 3.54Å; I19-V94 HydrophobicContact CG2-CG2 4.29Å; V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 WeakPolarHBondContact O-CG2 3.45Å; V90-V94 PolarHBondContact O-N 3.05Å; F91-V94 PolarHBondContact O-N 2.94Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 3.48Å; V94-I97 PolarHBondContact O-N 2.97Å; V94-L98 HydrophobicContact CG1-CD1 4.06Å; V94-L98 HydrophobicContact CG1-CG 4.49Å; V94-L98 PolarHBondContact O-N 3.15Å
95T82.7Confident75.7Confident64 Ų6473.1 Ų73.139%0.39339%0.388SS..Hα-helixtrans-58.4-40.1175.4-560000111.4F91 I97 L98 Y99F91-T95 WeakPolarHBondContact O-CB 3.35Å; F91-T95 PolarHBondContact O-N 3.41Å; F91-T95 PolarHBondContact O-OG1 3.36Å; T95-I97 PolarHBondContact O-N 2.84Å; T95-L98 PolarHBondContact O-N 3.18Å; T95-Y99 WeakPolarHBondContact O-CB 3.23Å; T95-Y99 PolarHBondContact O-N 2.91Å
96S83.7Confident75.2Confident73 Ų7375.5 Ų75.551%0.5140%0.401SS..Hα-helixtrans-63.7-41.2177.4-58.80000112.3N92 C93 V94 V100N92-S96 WeakPolarHBondContact O-CB 3.3Å; N92-S96 PolarHBondContact O-N 3.2Å; N92-S96 PolarHBondContact O-OG 3.47Å; C93-S96 WeakPolarHBondContact O-CB 3.33Å; C93-S96 PolarHBondContact O-N 3.33Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 3.48Å; S96-V100 WeakPolarHBondContact O-CG2 3.42Å; S96-V100 PolarHBondContact O-N 3.14Å; S96-V100 VanDerWaalsContact O-N 3.15Å
97I77.8Confident73.8Confident24 Ų2482.1 Ų82.112%0.12343%0.434CS..Hα-helixtrans-67.6-47.3178.1-59.4156.9000110.2L21 I36 C93 V94 T95 Y99 V100 S101L21-I97 HydrophobicContact CB-CD1 4.3Å; L21-I97 HydrophobicContact CD2-CB 3.8Å; L21-I97 HydrophobicContact CD2-CG2 3.52Å; I36-I97 HydrophobicContact CG2-CG2 4.17Å; C93-I97 WeakPolarHBondContact O-CG1 3.39Å; C93-I97 PolarHBondContact O-N 3.14Å; C93-I97 VanDerWaalsContact O-N 3.08Å; V94-I97 PolarHBondContact O-N 2.97Å; T95-I97 PolarHBondContact O-N 2.84Å; I97-Y99 VanDerWaalsContact C-N 3.28Å; I97-Y99 PolarHBondContact O-N 3.27Å; I97-V100 PolarHBondContact O-N 3.23Å; I97-S101 PolarHBondContact O-N 2.88Å; I97-S101 PolarHBondContact O-OG 3.08Å; I97-S101 VanDerWaalsContact O-OG 3.06Å
98L76.8Confident73.7Confident51 Ų5184.3 Ų84.327%0.26744%0.435SS..Hα-helixtrans-61.4-37.4177.6-71.4174.3000112.3F8 A10 L21 V94 T95 S101 L102F8-L98 HydrophobicContact CE1-CD2 3.95Å; F8-L98 HydrophobicContact CZ-CD2 3.94Å; A10-L98 HydrophobicContact CB-CD2 4.29Å; L21-L98 HydrophobicContact CD2-CD2 3.86Å; L21-L98 HydrophobicContact CD2-CG 3.96Å; V94-L98 HydrophobicContact CG1-CD1 4.06Å; V94-L98 HydrophobicContact CG1-CG 4.49Å; V94-L98 PolarHBondContact O-N 3.15Å; T95-L98 PolarHBondContact O-N 3.18Å; L98-S101 WeakPolarHBondContact O-CB 3.29Å; L98-S101 PolarHBondContact O-N 3.06Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 2.81Å
99Y82Confident73.5Confident152 Ų15281.3 Ų81.360%0.59643%0.425SS*.Hα-helixtrans-63.5-43.4177.1-173.9-104.6000111.9T95 I97 S101 L102 I103T95-Y99 WeakPolarHBondContact O-CB 3.23Å; T95-Y99 PolarHBondContact O-N 2.91Å; I97-Y99 VanDerWaalsContact C-N 3.28Å; I97-Y99 PolarHBondContact O-N 3.27Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 2.94Å; Y99-L102 PolarHBondContact O-N 2.91Å; Y99-I103 HydrophobicContact CD1-CD1 3.77Å; Y99-I103 HydrophobicContact CE1-CD1 3.22Å; Y99-I103 HydrophobicContact CE1-CG1 4.42Å; Y99-I103 HydrophobicContact CE2-CD1 4.09Å; Y99-I103 HydrophobicContact CG-CD1 4.41Å; Y99-I103 VanDerWaalsContact CZ-CD1 3.4Å; Y99-I103 WeakPolarHBondContact O-CG1 3.5Å; Y99-I103 PolarHBondContact O-N 3.25Å; Y99-I103 VanDerWaalsContact O-N 3.1Å
100V74.9Confident73.2Confident98 Ų9879.3 Ų79.359%0.59442%0.421SS*.Hα-helixtrans-62.3-39.3172.7173.10000110.8S96 I97 I103 G104S96-V100 WeakPolarHBondContact O-CG2 3.42Å; S96-V100 PolarHBondContact O-N 3.14Å; S96-V100 VanDerWaalsContact O-N 3.15Å; I97-V100 PolarHBondContact O-N 3.23Å; V100-I103 PolarHBondContact O-N 3.25Å; V100-G104 PolarHBondContact O-N 2.92Å
101S69.3Low73Confident0 Ų082.8 Ų82.80%044%0.438CS..Hα-helixtrans-60.4-44.7176.2-57.20000113.7I36 I97 L98 Y99 G104 E105I36-S101 WeakPolarHBondContact CD1-OG 3.39Å; I36-S101 WeakPolarHBondContact CG2-OG 3.37Å; I97-S101 PolarHBondContact O-N 2.88Å; I97-S101 PolarHBondContact O-OG 3.08Å; I97-S101 VanDerWaalsContact O-OG 3.06Å; L98-S101 WeakPolarHBondContact O-CB 3.29Å; L98-S101 PolarHBondContact O-N 3.06Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 2.94Å; S101-G104 PolarHBondContact O-N 3.32Å; S101-E105 PolarHBondContact O-N 2.83Å
102L70.2Confident72.5Confident92 Ų9279.4 Ų79.448%0.48243%0.428SS..Hα-helixtrans-69.1-38.4-179.4-71.1169.8000112.1L98 Y99 E105 I106L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 2.81Å; Y99-L102 PolarHBondContact O-N 2.91Å; L102-E105 PolarHBondContact O-N 3.13Å; L102-I106 WeakPolarHBondContact O-CG1 3.06Å
103I72.9Confident71.7Confident79 Ų7979.2 Ų79.241%0.40543%0.427SS..Hα-helixtrans-71.5-37.1177.6-67.9174.5000111.3Y99 V100 E105 I106Y99-I103 HydrophobicContact CD1-CD1 3.77Å; Y99-I103 HydrophobicContact CE1-CD1 3.22Å; Y99-I103 HydrophobicContact CE1-CG1 4.42Å; Y99-I103 HydrophobicContact CE2-CD1 4.09Å; Y99-I103 HydrophobicContact CG-CD1 4.41Å; Y99-I103 VanDerWaalsContact CZ-CD1 3.4Å; Y99-I103 WeakPolarHBondContact O-CG1 3.5Å; Y99-I103 PolarHBondContact O-N 3.25Å; Y99-I103 VanDerWaalsContact O-N 3.1Å; V100-I103 PolarHBondContact O-N 3.25Å; I103-E105 PolarHBondContact O-N 3.3Å; I103-I106 PolarHBondContact O-N 2.99Å
104G62.8Low70.7Confident49 Ų4982.4 Ų82.451%0.50544%0.441SS..Hα-helixtrans-62.4-20.6176.300000113.8V100 S101V100-G104 PolarHBondContact O-N 2.92Å; S101-G104 PolarHBondContact O-N 3.32Å
105E57.2Low70Confident75 Ų7587.1 Ų87.135%0.3547%0.465SS..THydrogen-bonded Turntrans-83.5-16174.7-167.6174.5-171.200113H6 I25 S101 L102 I103H6-E105 IonicContact ND1-OE1 3.86Å; I25-E105 HydrophobicContact CD1-CB 4.27Å; I25-E105 HydrophobicContact CD1-CG 4.13Å; S101-E105 PolarHBondContact O-N 2.83Å; L102-E105 PolarHBondContact O-N 3.13Å; I103-E105 PolarHBondContact O-N 3.3Å
106I56.6Low69Low145 Ų14589 Ų8974%0.74447%0.471SS*.  trans-88-8.2-178.9-61.9169.1000111.8L102 I103L102-I106 WeakPolarHBondContact O-CG1 3.06Å; I103-I106 PolarHBondContact O-N 2.99Å
107Q43.8Very low67.7Low230 Ų23090.5 Ų90.5100%1.07547%0.467SS*.  trans-96.60171.1-68.6-167.7-25.700111.7

Retrieved 107 of 107 residues in 42.6 ms (Link to these results)