A0A077ZIX7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 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
1M46.4Very low69.7Low214 Ų214104.6 Ų104.6100%1.05452%0.522SS*.  0144.40-73-171-84.600108.3
2T55.1Low70Confident32 Ų32100.5 Ų100.520%0.19650%0.502CS..  trans-103.2156.3172.659.30000110.1G4 T5 E6T2-G4 PolarHBondContact O-N 3.41Å; T2-G4 VanDerWaalsContact O-N 3.17Å; T2-T5 PolarHBondContact N-OG1 3.38Å; T2-T5 PolarHBondContact O-N 3.07Å; T2-T5 PolarHBondContact O-OG1 2.92Å; T2-T5 WeakPolarHBondContact OG1-CG2 3.48Å; T2-T5 PolarHBondContact OG1-N 3.16Å; T2-T5 PolarHBondContact OG1-OG1 3.35Å; T2-E6 PolarHBondContact O-N 3.49Å; T2-E6 VanDerWaalsContact O-N 3.15Å
3Y62Low70.3Confident167 Ų16798.3 Ų98.366%0.65549%0.492SS*.Hα-helixtrans-47.2-45.8176.2-175.3-99.9000112.1T5 E6 T7 I12Y3-T5 PolarHBondContact O-N 3.43Å; Y3-E6 PolarHBondContact O-N 2.88Å; Y3-E6 VanDerWaalsContact O-N 3.16Å; Y3-T7 HydrophobicContact CD1-CG2 4.2Å; Y3-T7 HydrophobicContact CD2-CG2 4.47Å; Y3-T7 HydrophobicContact CE1-CG2 3.83Å; Y3-T7 HydrophobicContact CE2-CG2 4.13Å; Y3-T7 HydrophobicContact CG-CG2 4.5Å; Y3-T7 WeakPolarHBondContact O-CG2 3.4Å; Y3-T7 PolarHBondContact O-N 2.98Å; Y3-T7 PolarHBondContact O-OG1 3.25Å; Y3-I12 HydrophobicContact CD1-CG2 4.12Å
4G56.8Low70.8Confident2 Ų2102.2 Ų102.22%0.02151%0.505CS..Hα-helixtrans-63.7-34.6176.900000115.4T2 E6 K8 I12 I13T2-G4 PolarHBondContact O-N 3.41Å; T2-G4 VanDerWaalsContact O-N 3.17Å; G4-E6 VanDerWaalsContact C-N 3.28Å; G4-E6 PolarHBondContact O-N 3.36Å; G4-K8 PolarHBondContact O-N 3.13Å; G4-I12 VanDerWaalsContact CA-CG2 3.43Å; G4-I13 WeakPolarHBondContact O-CG1 3.45Å
5T66.8Low71Confident78 Ų78101.7 Ų101.748%0.47950%0.503SS..Hα-helixtrans-71.9-26175.954.20000112.7T2 Y3T2-T5 PolarHBondContact N-OG1 3.38Å; T2-T5 PolarHBondContact O-N 3.07Å; T2-T5 PolarHBondContact O-OG1 2.92Å; T2-T5 WeakPolarHBondContact OG1-CG2 3.48Å; T2-T5 PolarHBondContact OG1-N 3.16Å; T2-T5 PolarHBondContact OG1-OG1 3.35Å; Y3-T5 PolarHBondContact O-N 3.43Å
6E74.7Confident70.7Confident142 Ų14296.9 Ų96.966%0.66448%0.484SS*.Hα-helixtrans-82-42.6-179.8-171.5169.8-169.800111.5T2 Y3 G4 K8T2-E6 PolarHBondContact O-N 3.49Å; T2-E6 VanDerWaalsContact O-N 3.15Å; Y3-E6 PolarHBondContact O-N 2.88Å; Y3-E6 VanDerWaalsContact O-N 3.16Å; G4-E6 VanDerWaalsContact C-N 3.28Å; G4-E6 PolarHBondContact O-N 3.36Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.47Å
7T79.9Confident70.5Confident56 Ų5699.1 Ų99.134%0.34449%0.49SS..Hα-helixtrans-75.3-18.3178.762.60000113.7Y3 E9Y3-T7 HydrophobicContact CD1-CG2 4.2Å; Y3-T7 HydrophobicContact CD2-CG2 4.47Å; Y3-T7 HydrophobicContact CE1-CG2 3.83Å; Y3-T7 HydrophobicContact CE2-CG2 4.13Å; Y3-T7 HydrophobicContact CG-CG2 4.5Å; Y3-T7 WeakPolarHBondContact O-CG2 3.4Å; Y3-T7 PolarHBondContact O-N 2.98Å; Y3-T7 PolarHBondContact O-OG1 3.25Å; T7-E9 PolarHBondContact O-N 2.79Å; T7-E9 PolarHBondContact OG1-N 2.85Å
8K80Confident70.2Confident174 Ų174101.1 Ų101.176%0.75750%0.498SS*.  trans55.218.3-173.2-57.8-178.8-179.3176.90113.9G4 E6G4-K8 PolarHBondContact O-N 3.13Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.47Å
9E80.9Confident69.8Low90 Ų90101.5 Ų101.542%0.42150%0.502SS..  trans-78.3118.4-179.9-171.5171.6-166.200109.5T7 D11 I12 I13T7-E9 PolarHBondContact O-N 2.79Å; T7-E9 PolarHBondContact OG1-N 2.85Å; E9-D11 VanDerWaalsContact C-N 3.27Å; E9-D11 PolarHBondContact O-N 3.12Å; E9-I12 HydrophobicContact CB-CB 4.25Å; E9-I12 HydrophobicContact CB-CG1 4Å; E9-I12 HydrophobicContact CG-CG1 4Å; E9-I12 PolarHBondContact O-N 3.18Å; E9-I12 WeakPolarHBondContact OE2-CG1 3.24Å; E9-I13 WeakPolarHBondContact O-CG1 3.48Å; E9-I13 PolarHBondContact O-N 3.2Å
10P82.3Confident69.2Low96 Ų96105.4 Ų105.462%0.62351%0.51SS*.Hα-helixtrans-62.5-33.8-170.323.3-33000112.8I13 K14P10-I13 PolarHBondContact O-N 3.35Å; P10-K14 WeakPolarHBondContact O-CB 3.38Å; P10-K14 PolarHBondContact O-N 3.22Å
11D81.9Confident68.3Low100 Ų100107.8 Ų107.854%0.53552%0.518SS..Hα-helixtrans-70.8-41.6179.5-66.7-38.3000112E9 I13 K14 I15E9-D11 VanDerWaalsContact C-N 3.27Å; E9-D11 PolarHBondContact O-N 3.12Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-I13 PolarHBondContact O-N 3.3Å; D11-K14 WeakPolarHBondContact O-CB 3.47Å; D11-K14 PolarHBondContact O-N 3.36Å; D11-I15 WeakPolarHBondContact O-CB 3.41Å; D11-I15 VanDerWaalsContact O-CG1 3.29Å; D11-I15 WeakPolarHBondContact O-CG1 3.39Å; D11-I15 PolarHBondContact O-N 2.69Å
12I73Confident68.6Low55 Ų5599.7 Ų99.728%0.28248%0.481SS..Hα-helixtrans-65.8-39.2175.4-58.5-62.8000110.9Y3 G4 E9 A16Y3-I12 HydrophobicContact CD1-CG2 4.12Å; G4-I12 VanDerWaalsContact CA-CG2 3.43Å; E9-I12 HydrophobicContact CB-CB 4.25Å; E9-I12 HydrophobicContact CB-CG1 4Å; E9-I12 HydrophobicContact CG-CG1 4Å; E9-I12 PolarHBondContact O-N 3.18Å; E9-I12 WeakPolarHBondContact OE2-CG1 3.24Å; I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 2.65Å
13I73.6Confident68.5Low72 Ų72103.5 Ų103.537%0.36951%0.509SS..Hα-helixtrans-63.7-43174.4-66.2169.4000110.4G4 E9 P10 D11 A16 K17G4-I13 WeakPolarHBondContact O-CG1 3.45Å; E9-I13 WeakPolarHBondContact O-CG1 3.48Å; E9-I13 PolarHBondContact O-N 3.2Å; P10-I13 PolarHBondContact O-N 3.35Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-I13 PolarHBondContact O-N 3.3Å; I13-A16 PolarHBondContact O-N 3.14Å; I13-K17 WeakPolarHBondContact O-CB 3.25Å; I13-K17 PolarHBondContact O-N 3.03Å
14K78Confident68.2Low153 Ų153102.2 Ų102.267%0.66551%0.514SS*.Hα-helixtrans-63-46.7178-175-178.6177.8-174.60111.6P10 D11 K17 H18P10-K14 WeakPolarHBondContact O-CB 3.38Å; P10-K14 PolarHBondContact O-N 3.22Å; D11-K14 WeakPolarHBondContact O-CB 3.47Å; D11-K14 PolarHBondContact O-N 3.36Å; K14-K17 PolarHBondContact O-N 3.11Å; K14-H18 WeakPolarHBondContact O-CB 3.43Å; K14-H18 PolarHBondContact O-N 3.37Å
15I73.1Confident68.3Low95 Ų95108.3 Ų108.349%0.48754%0.537SS..Hα-helixtrans-63.6-49.2176.4-67.8164.9000110.1D11 K17 H18 L19D11-I15 WeakPolarHBondContact O-CB 3.41Å; D11-I15 VanDerWaalsContact O-CG1 3.29Å; D11-I15 WeakPolarHBondContact O-CG1 3.39Å; D11-I15 PolarHBondContact O-N 2.69Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.79Å; I15-H18 WeakPolarHBondContact O-CB 3.26Å; I15-H18 PolarHBondContact O-N 2.91Å; I15-H18 VanDerWaalsContact O-N 3.1Å; I15-L19 HydrophobicContact CG2-CD1 3.69Å; I15-L19 HydrophobicContact CG2-CG 4.14Å; I15-L19 WeakPolarHBondContact O-CB 3.44Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.31Å
16A66Low68Low24 Ų24113.1 Ų113.120%0.19855%0.546CS..Hα-helixtrans-61.8-37.1178.700000112.2I12 I13 R20I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 2.65Å; I13-A16 PolarHBondContact O-N 3.14Å; A16-R20 VanDerWaalsContact O-CB 3.22Å; A16-R20 WeakPolarHBondContact O-CB 3.42Å; A16-R20 VanDerWaalsContact O-CG 3.26Å; A16-R20 WeakPolarHBondContact O-CG 3.37Å; A16-R20 PolarHBondContact O-N 2.92Å
17K68.1Low67.6Low134 Ų134113.2 Ų113.258%0.58355%0.551SS**Hα-helixtrans-65.2-45.3173.1-171-176.9179.9-179.70110.4I13 K14 I15 R20 F21I13-K17 WeakPolarHBondContact O-CB 3.25Å; I13-K17 PolarHBondContact O-N 3.03Å; K14-K17 PolarHBondContact O-N 3.11Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.79Å; K17-R20 PolarHBondContact O-N 3.45Å; K17-F21 HydrophobicContact CB-CD2 4.38Å; K17-F21 HydrophobicContact CG-CD2 3.51Å; K17-F21 HydrophobicContact CG-CE2 4.01Å; K17-F21 HydrophobicContact CG-CG 4.44Å; K17-F21 VanDerWaalsContact O-CB 3.26Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 WeakPolarHBondContact O-CD2 3.39Å; K17-F21 PolarHBondContact O-N 3.01Å
18H64.5Low67.1Low135 Ų135115.2 Ų115.263%0.62556%0.564SS**Hα-helixtrans-61.4-45.2176.7-167.273.4000111.6K14 I15 R20 T22K14-H18 WeakPolarHBondContact O-CB 3.43Å; K14-H18 PolarHBondContact O-N 3.37Å; I15-H18 WeakPolarHBondContact O-CB 3.26Å; I15-H18 PolarHBondContact O-N 2.91Å; I15-H18 VanDerWaalsContact O-N 3.1Å; H18-R20 PolarHBondContact O-N 2.92Å; H18-T22 WeakPolarHBondContact O-CG2 3.36Å; H18-T22 PolarHBondContact O-N 3.36Å; H18-T22 PolarHBondContact O-OG1 2.86Å; H18-T22 VanDerWaalsContact O-OG1 3.13Å
19L62.5Low66.8Low110 Ų110112.4 Ų112.458%0.57655%0.554SS**Hα-helixtrans-67.3-31.3177.4-67.9173.8000113.7I15I15-L19 HydrophobicContact CG2-CD1 3.69Å; I15-L19 HydrophobicContact CG2-CG 4.14Å; I15-L19 WeakPolarHBondContact O-CB 3.44Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.31Å
20R58.1Low66.3Low179 Ų179112.8 Ų112.868%0.67556%0.558SS**Hα-helixtrans-87.8-32.2179.5-76-176.5170.1-141.4-10.5114A16 K17 H18A16-R20 VanDerWaalsContact O-CB 3.22Å; A16-R20 WeakPolarHBondContact O-CB 3.42Å; A16-R20 VanDerWaalsContact O-CG 3.26Å; A16-R20 WeakPolarHBondContact O-CG 3.37Å; A16-R20 PolarHBondContact O-N 2.92Å; K17-R20 PolarHBondContact O-N 3.45Å; H18-R20 PolarHBondContact O-N 2.92Å
21F51Low65.9Low155 Ų155111.2 Ų111.268%0.6854%0.54SS*.Hα-helixtrans-105.34.3-171.9-74.1-81.2000114.5K17 S23K17-F21 HydrophobicContact CB-CD2 4.38Å; K17-F21 HydrophobicContact CG-CD2 3.51Å; K17-F21 HydrophobicContact CG-CE2 4.01Å; K17-F21 HydrophobicContact CG-CG 4.44Å; K17-F21 VanDerWaalsContact O-CB 3.26Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 WeakPolarHBondContact O-CD2 3.39Å; K17-F21 PolarHBondContact O-N 3.01Å; F21-S23 PolarHBondContact O-N 2.92Å
22T51.7Low65.4Low45 Ų45108.5 Ų108.528%0.27654%0.537SS..  trans-70.678.1152.446.40000107.2H18 N24 Y25H18-T22 WeakPolarHBondContact O-CG2 3.36Å; H18-T22 PolarHBondContact O-N 3.36Å; H18-T22 PolarHBondContact O-OG1 2.86Å; H18-T22 VanDerWaalsContact O-OG1 3.13Å; T22-N24 PolarHBondContact O-N 2.88Å; T22-Y25 VanDerWaalsContact O-CB 3.22Å; T22-Y25 WeakPolarHBondContact O-CB 3.44Å; T22-Y25 PolarHBondContact O-N 3.36Å; T22-Y25 WeakPolarHBondContact OG1-CB 3.38Å
23S53.5Low65.3Low111 Ų111111.3 Ų111.378%0.77655%0.551SS**THydrogen-bonded Turntrans-53.9-1616655.60000112.2F21F21-S23 PolarHBondContact O-N 2.92Å
24N56.6Low64.8Low141 Ų141110.7 Ų110.775%0.75455%0.552SS**THydrogen-bonded Turntrans-100.710.9176.4-53.4-22.2000112.9T22 R26T22-N24 PolarHBondContact O-N 2.88Å; N24-R26 PolarHBondContact O-N 3.28Å
25Y58Low64.2Low130 Ų130109.8 Ų109.851%0.5155%0.548SS..  trans-61.3106.5177.5-172.1-105.3000109.5T22 L27 P28T22-Y25 VanDerWaalsContact O-CB 3.22Å; T22-Y25 WeakPolarHBondContact O-CB 3.44Å; T22-Y25 PolarHBondContact O-N 3.36Å; T22-Y25 WeakPolarHBondContact OG1-CB 3.38Å; Y25-L27 HydrophobicContact CE1-CD2 4.39Å; Y25-P28 WeakPolarHBondContact OH-CD 3.46Å; Y25-P28 WeakPolarHBondContact OH-CG 3.37Å
26R61.4Low63.7Low178 Ų178112 Ų11267%0.67257%0.566SS**PPolyproline II helixtrans-76.6131166.3-63.8-177.9-170.1176.75.1106.9N24N24-R26 PolarHBondContact O-N 3.28Å
27L66Low63.4Low145 Ų145114.1 Ų114.176%0.75957%0.572SS**PPolyproline II helixtrans-55.4139.3171.5-73.5166.3000108.8Y25 Q29Y25-L27 HydrophobicContact CE1-CD2 4.39Å; L27-Q29 PolarHBondContact O-N 3.46Å
28P68.2Low63.2Low97 Ų97115.3 Ų115.363%0.6358%0.577SS**PPolyproline II helixtrans-55.6127.8173.8-23.332.9000109.9Y25 L30Y25-P28 WeakPolarHBondContact OH-CD 3.46Å; Y25-P28 WeakPolarHBondContact OH-CG 3.37Å; P28-L30 PolarHBondContact O-N 2.95Å
29Q73.9Confident63.1Low116 Ų116115.5 Ų115.554%0.54259%0.59SS.*  trans-76112.2171.2-66.6-173.128.800108.5L27 Y31L27-Q29 PolarHBondContact O-N 3.46Å; Q29-Y31 HydrophobicContact CB-CE2 4.1Å; Q29-Y31 PolarHBondContact OE1-OH 3.13Å
30L71.7Confident63Low97 Ų97118.7 Ų118.751%0.50860%0.602SS.*  trans-91112.8178.7-176.868.3000110.2P28 S54 L85P28-L30 PolarHBondContact O-N 2.95Å; L30-S54 WeakPolarHBondContact O-CB 3.22Å; L30-S54 PolarHBondContact O-OG 3.36Å; L30-L85 HydrophobicContact CD1-CD1 3.65Å; L30-L85 HydrophobicContact CD1-CD2 4.38Å; L30-L85 HydrophobicContact CD2-CD1 4.34Å; L30-L85 HydrophobicContact CD2-CD2 4.28Å
31Y73.6Confident63.1Low63 Ų63112.1 Ų112.125%0.24758%0.582CS.*  trans-90.2106.6169.9-63.2-87.5000109.6Q29 L33 V56 F62Q29-Y31 HydrophobicContact CB-CE2 4.1Å; Q29-Y31 PolarHBondContact OE1-OH 3.13Å; Y31-L33 PolarHBondContact O-N 3.31Å; Y31-V56 HydrophobicContact CD1-CG2 3.9Å; Y31-V56 HydrophobicContact CG-CG2 4.44Å; Y31-F62 HydrophobicContact CD1-CD2 4.45Å; Y31-F62 HydrophobicContact CD1-CE2 4.15Å; Y31-F62 AromaticContact CG-CE2 3.96Å; Y31-F62 HydrophobicContact CG-CE2 3.96Å
32G71.4Confident63.6Low44 Ų44108.4 Ų108.445%0.45457%0.573SS.*BIsolated β-bridgetrans-81106.7173.100000110.3V56G32-V56 WeakPolarHBondContact O-CB 3.31Å
33L69.5Low64.4Low113 Ų113113.3 Ų113.359%0.59259%0.59SS**  trans-61.8133.8174.9-67-177.3000110.2Y31 K35 F62Y31-L33 PolarHBondContact O-N 3.31Å; L33-K35 PolarHBondContact O-N 3.11Å; L33-F62 HydrophobicContact CD2-CD1 3.58Å; L33-F62 HydrophobicContact CD2-CD2 4.12Å; L33-F62 HydrophobicContact CD2-CE1 3.64Å; L33-F62 HydrophobicContact CD2-CE2 4.17Å; L33-F62 HydrophobicContact CD2-CG 3.81Å; L33-F62 HydrophobicContact CD2-CZ 3.92Å
34P63.3Low65.1Low60 Ų60108.4 Ų108.439%0.3956%0.556SS.*  trans-64.3104.1178.518.3-25.6000109.6V36 V56P34-V36 PolarHBondContact O-N 3.42Å; P34-V56 VanDerWaalsContact CD-CG1 3.48Å; P34-V56 HydrophobicContact CG-CG1 4.12Å
35K65.9Low65.6Low133 Ų133104.3 Ų104.358%0.57853%0.534SS*.  trans-67.4128.8172.8-163.6169.8-170.5176.20108.5L33 H37 E82L33-K35 PolarHBondContact O-N 3.11Å; K35-H37 PolarHBondContact O-N 3.23Å; K35-H37 PolarHBondContact O-ND1 3.42Å; K35-E82 IonicContact NZ-OE2 3.12Å; K35-E82 PolarHBondContact NZ-OE2 3.02Å
36V63.9Low66.2Low141 Ų141101.3 Ų101.386%0.85553%0.526SS*.  trans-63.7103.9167.6-179.90000106.7P34P34-V36 PolarHBondContact O-N 3.42Å
37H58.9Low66.5Low70 Ų7095.5 Ų95.532%0.32451%0.511SS..  trans-71.4137.5174.2-73.471.7000108.1K35 V41K35-H37 PolarHBondContact O-N 3.23Å; K35-H37 PolarHBondContact O-ND1 3.42Å; H37-V41 HydrophobicContact CB-CB 4.3Å
38K63.3Low66.7Low159 Ų15989.4 Ų89.469%0.69148%0.479SS*.  trans-51.9142.6166-65-178.9-179.5178.50107.6E40 V41K38-E40 PolarHBondContact O-N 3.42Å; K38-V41 HydrophobicContact CB-CG2 4.23Å; K38-V41 PolarHBondContact O-N 3.03Å
39P63.5Low66.7Low138 Ų13887 Ų8790%0.89647%0.465SS*.THydrogen-bonded Turntrans-54.8-19.1-177.118.8-30.2000113.6
40E59.7Low66.5Low177 Ų17783.5 Ų83.583%0.82746%0.46SS*.THydrogen-bonded Turntrans-86.6-13-178.3-43.9-161.1-137.600113.8K38 P42K38-E40 PolarHBondContact O-N 3.42Å; E40-P42 WeakPolarHBondContact O-CD 3.5Å
41V60.6Low66.4Low42 Ų4286.7 Ų86.726%0.25547%0.469SS..SBendtrans-87.8119.1179.7-175.80000109.4H37 K38 K43H37-V41 HydrophobicContact CB-CB 4.3Å; K38-V41 HydrophobicContact CB-CG2 4.23Å; K38-V41 PolarHBondContact O-N 3.03Å; V41-K43 PolarHBondContact O-N 3.49Å
42P61.2Low66.3Low77 Ų7789.7 Ų89.750%0.549%0.485SS..  trans-57.9127.3178.2-2535.4000111.2E40 V44E40-P42 WeakPolarHBondContact O-CD 3.5Å; P42-V44 HydrophobicContact CB-CB 4.46Å; P42-V44 HydrophobicContact CB-CG2 3.44Å; P42-V44 VanDerWaalsContact CB-CG2 3.44Å; P42-V44 PolarHBondContact O-N 3.47Å
43K67.7Low66.3Low147 Ų14793.8 Ų93.864%0.63950%0.504SS*.  trans-71.846.7175-69.3-177.6179.6-179.80112.2V41 I46V41-K43 PolarHBondContact O-N 3.49Å; K43-I46 HydrophobicContact CB-CD1 3.85Å; K43-I46 HydrophobicContact CB-CG1 4.39Å; K43-I46 HydrophobicContact CD-CD1 3.95Å; K43-I46 HydrophobicContact CG-CD1 3.79Å
44V68.2Low66.4Low9 Ų989.9 Ų89.96%0.05549%0.486CS..  trans-76.7-30.6-169.3168.50000112P42 L102 L108 R111 L119P42-V44 HydrophobicContact CB-CB 4.46Å; P42-V44 HydrophobicContact CB-CG2 3.44Å; P42-V44 VanDerWaalsContact CB-CG2 3.44Å; P42-V44 PolarHBondContact O-N 3.47Å; V44-L102 HydrophobicContact CG1-CD2 3.92Å; V44-L108 HydrophobicContact CG1-CD1 4.26Å; V44-R111 PolarHBondContact O-NH2 3.1Å; V44-L119 HydrophobicContact CB-CD2 4.29Å; V44-L119 HydrophobicContact CG1-CD1 3.55Å; V44-L119 HydrophobicContact CG1-CD2 3.91Å; V44-L119 HydrophobicContact CG1-CG 4.21Å; V44-L119 HydrophobicContact CG2-CD1 4.4Å; V44-L119 HydrophobicContact CG2-CD2 3.8Å
45I68.1Low67.1Low55 Ų5590.3 Ų90.328%0.28248%0.482SS..SBendtrans-90.1-25-174.2-55.9177.2000111.4L48 S49 L98I45-L48 WeakPolarHBondContact O-CA 3.41Å; I45-L48 WeakPolarHBondContact O-CB 3.33Å; I45-L48 PolarHBondContact O-N 3.3Å; I45-S49 PolarHBondContact O-N 3.43Å; I45-S49 PolarHBondContact O-OG 2.83Å; I45-L98 HydrophobicContact CG1-CD1 4.43Å
46I69.9Low67.8Low67 Ų6784 Ų8434%0.34446%0.455SS..Hα-helixtrans-51.9-46-174.1-60.2-178.8000112.8K43 L48 S49 G50 F55K43-I46 HydrophobicContact CB-CD1 3.85Å; K43-I46 HydrophobicContact CB-CG1 4.39Å; K43-I46 HydrophobicContact CD-CD1 3.95Å; K43-I46 HydrophobicContact CG-CD1 3.79Å; I46-L48 PolarHBondContact O-N 3.23Å; I46-S49 PolarHBondContact O-N 3.43Å; I46-S49 VanDerWaalsContact O-N 3.16Å; I46-G50 PolarHBondContact O-N 3.47Å; I46-F55 HydrophobicContact CG2-CZ 4.27Å
47P68Low68.3Low55 Ų5585.7 Ų85.736%0.35745%0.446SS..Hα-helixtrans-74.9-16.2-177.9-22.841.8000113.5R111P47-R111 VanDerWaalsContact CB-NH1 3.25Å; P47-R111 VanDerWaalsContact CG-CZ 3.45Å
48L69.5Low69.4Low17 Ų1785.5 Ų85.59%0.08945%0.447CS..Hα-helixtrans-80.3-34.6169.6-59.4176.9000111.1I45 I46 L98 L101 L102 E105I45-L48 WeakPolarHBondContact O-CA 3.41Å; I45-L48 WeakPolarHBondContact O-CB 3.33Å; I45-L48 PolarHBondContact O-N 3.3Å; I46-L48 PolarHBondContact O-N 3.23Å; L48-L98 HydrophobicContact CD1-CD1 4.46Å; L48-L101 HydrophobicContact CD1-CB 3.93Å; L48-L101 HydrophobicContact CD2-CB 4.14Å; L48-L102 HydrophobicContact CD1-CD2 3.97Å; L48-L102 HydrophobicContact CD1-CG 4.3Å; L48-E105 HydrophobicContact CD2-CB 4.19Å; L48-E105 HydrophobicContact CD2-CG 4.35Å; L48-E105 WeakPolarHBondContact CD2-OE2 3.14Å
49S69.1Low70.3Confident48 Ų4881.9 Ų81.934%0.33644%0.442SS..Hα-helixtrans-78.9-32.1180-56.90000114.3I45 I46 K51 E52I45-S49 PolarHBondContact O-N 3.43Å; I45-S49 PolarHBondContact O-OG 2.83Å; I46-S49 PolarHBondContact O-N 3.43Å; I46-S49 VanDerWaalsContact O-N 3.16Å; S49-K51 PolarHBondContact O-N 3.12Å; S49-E52 PolarHBondContact O-N 2.85Å
50G68.8Low71.4Confident42 Ų4279 Ų7943%0.43343%0.425SS..THydrogen-bonded Turntrans-66.62.4-173.200000116.4I46I46-G50 PolarHBondContact O-N 3.47Å
51K69.7Low72.6Confident163 Ų16372.2 Ų72.271%0.70940%0.396SS*.THydrogen-bonded Turntrans-90.6-18.2178.5-62.1-178.5-177.3176.90112.9S49S49-K51 PolarHBondContact O-N 3.12Å
52E72Confident73.8Confident126 Ų12672 Ų7259%0.58939%0.391SS*.SBendtrans-80.8140.2-178.1-68.7-57.6145.200111.6S49 S54 F55S49-E52 PolarHBondContact O-N 2.85Å; E52-S54 PolarHBondContact O-N 2.87Å; E52-F55 VanDerWaalsContact O-CB 3.23Å; E52-F55 WeakPolarHBondContact O-CB 3.37Å; E52-F55 PolarHBondContact O-N 3.19Å
53P70.7Confident75.1Confident130 Ų13072.7 Ų72.784%0.84439%0.394SS*.THydrogen-bonded Turntrans-58.1-27.6176.2-25.434.4000114.1F55P53-F55 VanDerWaalsContact C-N 3.27Å; P53-F55 PolarHBondContact O-N 3Å
54S73.3Confident76.1Confident31 Ų3171.1 Ų71.122%0.21739%0.393CS..THydrogen-bonded Turntrans-85.45.5178.468.90000113.9L30 E52 V56L30-S54 WeakPolarHBondContact O-CB 3.22Å; L30-S54 PolarHBondContact O-OG 3.36Å; E52-S54 PolarHBondContact O-N 2.87Å; S54-V56 PolarHBondContact O-N 2.99Å
55F77.6Confident76.9Confident69 Ų6974.8 Ų74.830%0.30341%0.409SS..BIsolated β-bridgetrans-68.8117.5179.8179.3-101.3000111.8I46 E52 P53 R57I46-F55 HydrophobicContact CG2-CZ 4.27Å; E52-F55 VanDerWaalsContact O-CB 3.23Å; E52-F55 WeakPolarHBondContact O-CB 3.37Å; E52-F55 PolarHBondContact O-N 3.19Å; P53-F55 VanDerWaalsContact C-N 3.27Å; P53-F55 PolarHBondContact O-N 3Å; F55-R57 HydrophobicContact CD1-CG 4.07Å; F55-R57 HydrophobicContact CE1-CG 3.86Å
56V79.2Confident77.7Confident1 Ų174.9 Ų74.91%0.00641%0.41CS..  trans-87.5113.3177178.60000110.7Y31 G32 P34 S54 N58 F62Y31-V56 HydrophobicContact CD1-CG2 3.9Å; Y31-V56 HydrophobicContact CG-CG2 4.44Å; G32-V56 WeakPolarHBondContact O-CB 3.31Å; P34-V56 VanDerWaalsContact CD-CG1 3.48Å; P34-V56 HydrophobicContact CG-CG1 4.12Å; S54-V56 PolarHBondContact O-N 2.99Å; V56-N58 WeakPolarHBondContact CG1-O 3.32Å; V56-F62 HydrophobicContact CG1-CB 3.56Å; V56-F62 HydrophobicContact CG1-CD2 4.15Å; V56-F62 HydrophobicContact CG1-CG 4.13Å; V56-F62 HydrophobicContact CG2-CD2 3.67Å; V56-F62 HydrophobicContact CG2-CE2 4.3Å; V56-F62 HydrophobicContact CG2-CG 4.46Å
57R76Confident78.5Confident177 Ų17774.6 Ų74.667%0.66842%0.423SS*.  trans-68.5-44.6-179.4-79.2-177.2-82.7-116.7-3.8114.1F55F55-R57 HydrophobicContact CD1-CG 4.07Å; F55-R57 HydrophobicContact CE1-CG 3.86Å
58N80.8Confident79.5Confident65 Ų6579.3 Ų79.335%0.34844%0.44SS..  trans-158.7166.7179.964.272.6000109.4V56 S60 T61 F62V56-N58 WeakPolarHBondContact CG1-O 3.32Å; N58-S60 PolarHBondContact O-N 3.34Å; N58-S60 WeakPolarHBondContact OD1-CA 3.48Å; N58-S60 WeakPolarHBondContact OD1-CB 3.34Å; N58-S60 PolarHBondContact OD1-N 3.16Å; N58-T61 PolarHBondContact ND2-OG1 3.29Å; N58-T61 PolarHBondContact O-N 2.66Å; N58-T61 PolarHBondContact OD1-N 2.98Å; N58-T61 PolarHBondContact OD1-OG1 3.46Å; N58-F62 PolarHBondContact O-N 3.09Å; N58-F62 VanDerWaalsContact O-N 3.1Å
59S83.7Confident80.2Confident84 Ų8482.4 Ų82.459%0.58745%0.451SS*.Hα-helixtrans-63.8-36.8-177.651.90000113.3F62 V63S59-F62 WeakPolarHBondContact O-CB 3.38Å; S59-F62 PolarHBondContact O-N 3.46Å; S59-V63 VanDerWaalsContact O-CG2 3.26Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 3.05Å
60S85.3Confident81.1Confident77 Ų7787.6 Ų87.654%0.53847%0.47SS..Hα-helixtrans-65.9-43.5179-54.70000112N58 F62 V63 N64N58-S60 PolarHBondContact O-N 3.34Å; N58-S60 WeakPolarHBondContact OD1-CA 3.48Å; N58-S60 WeakPolarHBondContact OD1-CB 3.34Å; N58-S60 PolarHBondContact OD1-N 3.16Å; S60-F62 VanDerWaalsContact C-N 3.35Å; S60-V63 PolarHBondContact O-N 2.91Å; S60-N64 VanDerWaalsContact O-CG 3.28Å; S60-N64 PolarHBondContact O-N 3.49Å; S60-N64 VanDerWaalsContact O-N 3.14Å; S60-N64 PolarHBondContact O-ND2 3.5Å
61T85.5Confident81.8Confident35 Ų3589.8 Ų89.822%0.21547%0.471CS..Hα-helixtrans-61.4-44.3174.6-61.90000111N58 V63 N64 E65N58-T61 PolarHBondContact ND2-OG1 3.29Å; N58-T61 PolarHBondContact O-N 2.66Å; N58-T61 PolarHBondContact OD1-N 2.98Å; N58-T61 PolarHBondContact OD1-OG1 3.46Å; T61-V63 PolarHBondContact O-N 3.31Å; T61-N64 PolarHBondContact O-N 2.76Å; T61-E65 HydrophobicContact CG2-CG 4.38Å; T61-E65 WeakPolarHBondContact CG2-OE1 3.44Å; T61-E65 WeakPolarHBondContact O-CB 3.23Å; T61-E65 WeakPolarHBondContact O-CG 3.38Å; T61-E65 PolarHBondContact O-N 2.95Å
62F86.6Confident82.6Confident37 Ų3786.6 Ų86.616%0.16246%0.459CS..Hα-helixtrans-58.2-48.7175.5-178-113.8000113.1Y31 L33 V56 N58 S59 S60 N64 E65 I66Y31-F62 HydrophobicContact CD1-CD2 4.45Å; Y31-F62 HydrophobicContact CD1-CE2 4.15Å; Y31-F62 AromaticContact CG-CE2 3.96Å; Y31-F62 HydrophobicContact CG-CE2 3.96Å; L33-F62 HydrophobicContact CD2-CD1 3.58Å; L33-F62 HydrophobicContact CD2-CD2 4.12Å; L33-F62 HydrophobicContact CD2-CE1 3.64Å; L33-F62 HydrophobicContact CD2-CE2 4.17Å; L33-F62 HydrophobicContact CD2-CG 3.81Å; L33-F62 HydrophobicContact CD2-CZ 3.92Å; V56-F62 HydrophobicContact CG1-CB 3.56Å; V56-F62 HydrophobicContact CG1-CD2 4.15Å; V56-F62 HydrophobicContact CG1-CG 4.13Å; V56-F62 HydrophobicContact CG2-CD2 3.67Å; V56-F62 HydrophobicContact CG2-CE2 4.3Å; V56-F62 HydrophobicContact CG2-CG 4.46Å; N58-F62 PolarHBondContact O-N 3.09Å; N58-F62 VanDerWaalsContact O-N 3.1Å; S59-F62 WeakPolarHBondContact O-CB 3.38Å; S59-F62 PolarHBondContact O-N 3.46Å; S60-F62 VanDerWaalsContact C-N 3.35Å; F62-N64 VanDerWaalsContact C-N 3.25Å; F62-N64 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 2.93Å; F62-I66 HydrophobicContact CE1-CD1 3.97Å; F62-I66 HydrophobicContact CE1-CG2 4.36Å; F62-I66 HydrophobicContact CE2-CB 4.49Å; F62-I66 HydrophobicContact CE2-CD1 4.03Å; F62-I66 HydrophobicContact CZ-CB 4.41Å; F62-I66 HydrophobicContact CZ-CD1 3.42Å; F62-I66 VanDerWaalsContact CZ-CD1 3.42Å; F62-I66 WeakPolarHBondContact O-CB 3.22Å; F62-I66 VanDerWaalsContact O-CG2 3.31Å; F62-I66 WeakPolarHBondContact O-CG2 3.26Å; F62-I66 PolarHBondContact O-N 3.33Å
63V87.2Confident83.3Confident91 Ų9187 Ų8755%0.55247%0.472SS*.Hα-helixtrans-60.5-38.8-178.3168.50000111S59 S60 T61 G67S59-V63 VanDerWaalsContact O-CG2 3.26Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 3.05Å; S60-V63 PolarHBondContact O-N 2.91Å; T61-V63 PolarHBondContact O-N 3.31Å; V63-G67 PolarHBondContact O-N 3.34Å
64N88.4Confident83.8Confident115 Ų11587.7 Ų87.762%0.61547%0.469SS*.Hα-helixtrans-68.9-43.6175.8-65.3-15.3000111.8S60 T61 F62S60-N64 VanDerWaalsContact O-CG 3.28Å; S60-N64 PolarHBondContact O-N 3.49Å; S60-N64 VanDerWaalsContact O-N 3.14Å; S60-N64 PolarHBondContact O-ND2 3.5Å; T61-N64 PolarHBondContact O-N 2.76Å; F62-N64 VanDerWaalsContact C-N 3.25Å; F62-N64 PolarHBondContact O-N 2.95Å
65E85.5Confident84.1Confident86 Ų8688.9 Ų88.940%0.40247%0.471SS..Hα-helixtrans-67.4-41.3-179.3-73.6169.8-177.800112.3T61 F62 E68 Y69T61-E65 HydrophobicContact CG2-CG 4.38Å; T61-E65 WeakPolarHBondContact CG2-OE1 3.44Å; T61-E65 WeakPolarHBondContact O-CB 3.23Å; T61-E65 WeakPolarHBondContact O-CG 3.38Å; T61-E65 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 2.93Å; E65-E68 PolarHBondContact O-N 3.48Å; E65-Y69 PolarHBondContact O-N 3.39Å
66I85.6Confident84.3Confident57 Ų5791.5 Ų91.529%0.29249%0.493SS..Hα-helixtrans-74.8-27.4-179-160162.4000112.7F62 E68 Y69 L77F62-I66 HydrophobicContact CE1-CD1 3.97Å; F62-I66 HydrophobicContact CE1-CG2 4.36Å; F62-I66 HydrophobicContact CE2-CB 4.49Å; F62-I66 HydrophobicContact CE2-CD1 4.03Å; F62-I66 HydrophobicContact CZ-CB 4.41Å; F62-I66 HydrophobicContact CZ-CD1 3.42Å; F62-I66 VanDerWaalsContact CZ-CD1 3.42Å; F62-I66 WeakPolarHBondContact O-CB 3.22Å; F62-I66 VanDerWaalsContact O-CG2 3.31Å; F62-I66 WeakPolarHBondContact O-CG2 3.26Å; F62-I66 PolarHBondContact O-N 3.33Å; I66-E68 PolarHBondContact O-N 2.7Å; I66-Y69 WeakPolarHBondContact O-CB 3.39Å; I66-Y69 PolarHBondContact O-N 2.92Å; I66-L77 HydrophobicContact CD1-CD2 3.86Å
67G86.8Confident84.5Confident60 Ų6096.5 Ų96.562%0.61952%0.519SS*.Hα-helixtrans-63.3-31.6174.700000112.8V63V63-G67 PolarHBondContact O-N 3.34Å
68E87.3Confident84.8Confident154 Ų15491.8 Ų91.872%0.7251%0.509SS*.THydrogen-bonded Turntrans-92-1.7177.3-57.8-61.8129.900112.9E65 I66 H70E65-E68 PolarHBondContact O-N 3.48Å; I66-E68 PolarHBondContact O-N 2.7Å; E68-H70 PolarHBondContact O-N 2.91Å
69Y85.7Confident84.8Confident82 Ų8294.2 Ų94.232%0.32253%0.531SS..PPolyproline II helixtrans-78.6120.7-176-166.8-83.4000111.2E65 I66 L71E65-Y69 PolarHBondContact O-N 3.39Å; I66-Y69 WeakPolarHBondContact O-CB 3.39Å; I66-Y69 PolarHBondContact O-N 2.92Å; Y69-L71 HydrophobicContact CD1-CD2 4.23Å; Y69-L71 HydrophobicContact CD1-CG 4.3Å; Y69-L71 HydrophobicContact CE1-CD2 3.81Å; Y69-L71 HydrophobicContact CE1-CG 4.29Å
70H87.2Confident84.4Confident158 Ų15896.9 Ų96.973%0.73153%0.53SS*.PPolyproline II helixtrans-95118.2174.5-65.8-62.8000110.5E68E68-H70 PolarHBondContact O-N 2.91Å
71L84.7Confident83.8Confident87 Ų8797.5 Ų97.546%0.45553%0.527SS..PPolyproline II helixtrans-77.7132.2171.7-71.5165.5000110Y69 E75 L77Y69-L71 HydrophobicContact CD1-CD2 4.23Å; Y69-L71 HydrophobicContact CD1-CG 4.3Å; Y69-L71 HydrophobicContact CE1-CD2 3.81Å; Y69-L71 HydrophobicContact CE1-CG 4.29Å; L71-E75 HydrophobicContact CD2-CB 4.01Å; L71-L77 HydrophobicContact CD1-CB 4.03Å; L71-L77 HydrophobicContact CD2-CB 4.15Å
72E86Confident83Confident97 Ų97100.9 Ų100.945%0.45354%0.54SS..PPolyproline II helixtrans-68.4156167.7-64.5-63.9143.100110.6D74 E75E72-D74 PolarHBondContact O-N 3.17Å; E72-E75 HydrophobicContact CB-CB 4.34Å; E72-E75 HydrophobicContact CB-CG 3.95Å; E72-E75 PolarHBondContact N-OE2 3.44Å; E72-E75 PolarHBondContact O-N 3.15Å
73P85.4Confident82Confident134 Ų134106.6 Ų106.687%0.8757%0.565SS**THydrogen-bonded Turntrans-58.9-20.8-176.3-25.935.2000115.6
74D81.3Confident81Confident145 Ų145106.9 Ų106.978%0.77556%0.564SS**THydrogen-bonded Turntrans-104.14177.664.7-40.5000113.6E72E72-D74 PolarHBondContact O-N 3.17Å
75E81.4Confident79.9Confident55 Ų55104.7 Ų104.726%0.25755%0.551SS.*  trans-96.3145.7176.5-72.8-176.9161.100111.7L71 E72L71-E75 HydrophobicContact CD2-CB 4.01Å; E72-E75 HydrophobicContact CB-CB 4.34Å; E72-E75 HydrophobicContact CB-CG 3.95Å; E72-E75 PolarHBondContact N-OE2 3.44Å; E72-E75 PolarHBondContact O-N 3.15Å
76V81.8Confident78.6Confident125 Ų125104.8 Ų104.876%0.75855%0.554SS**  trans-126.7131.2173.4-67.50000109.4V78V76-V78 HydrophobicContact CB-CG2 4.4Å; V76-V78 HydrophobicContact CG2-CG2 4.06Å
77L83.2Confident77.1Confident106 Ų106105.4 Ų105.456%0.55556%0.562SS**  trans-88124.2168.5-179.166.4000108.9I66 L71I66-L77 HydrophobicContact CD1-CD2 3.86Å; L71-L77 HydrophobicContact CD1-CB 4.03Å; L71-L77 HydrophobicContact CD2-CB 4.15Å
78V81.9Confident75.7Confident77 Ų77108.9 Ų108.947%0.46758%0.577SS.*  trans-128.9137.9-179.4-173.90000109.4V76 Y80V76-V78 HydrophobicContact CB-CG2 4.4Å; V76-V78 HydrophobicContact CG2-CG2 4.06Å; V78-Y80 HydrophobicContact CB-CE2 3.96Å; V78-Y80 HydrophobicContact CG1-CD2 4.31Å; V78-Y80 HydrophobicContact CG1-CE1 4.21Å; V78-Y80 HydrophobicContact CG1-CE2 3.72Å
79S80.8Confident74.6Confident116 Ų116106.5 Ų106.581%0.81157%0.568SS**  trans-100.7134.217260.80000110.8
80Y74.6Confident73.9Confident141 Ų141106 Ų10655%0.55358%0.575SS**  trans-118.9142.6174.6-63.6-84.6000110.6V78 D84 L85V78-Y80 HydrophobicContact CB-CE2 3.96Å; V78-Y80 HydrophobicContact CG1-CD2 4.31Å; V78-Y80 HydrophobicContact CG1-CE1 4.21Å; V78-Y80 HydrophobicContact CG1-CE2 3.72Å; Y80-D84 HydrophobicContact CD1-CB 4.2Å; Y80-L85 HydrophobicContact CD2-CD1 4.12Å; Y80-L85 HydrophobicContact CG-CD1 4.14Å
81D73.3Confident73.2Confident90 Ų90101.6 Ų101.648%0.48156%0.556SS.*  trans-83.8160.7163.1-172.115.4000109.7K83 D84 L85D81-K83 HydrophobicContact CB-CG 4.39Å; D81-K83 PolarHBondContact O-N 3.02Å; D81-K83 VanDerWaalsContact O-N 3.16Å; D81-K83 WeakPolarHBondContact OD2-CE 3.22Å; D81-D84 CarbonylContact O-C 3.53Å; D81-D84 WeakPolarHBondContact O-CA 3.26Å; D81-D84 PolarHBondContact O-N 3.17Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 PolarHBondContact O-N 2.92Å
82E67.6Low72.9Confident106 Ų106100.5 Ų100.550%0.49556%0.556SS.*Hα-helixtrans-51.8-41.1-175.7-176.6172.9-177.200113.1K35 D84 L85 L86K35-E82 IonicContact NZ-OE2 3.12Å; K35-E82 PolarHBondContact NZ-OE2 3.02Å; E82-D84 VanDerWaalsContact C-N 3.31Å; E82-D84 PolarHBondContact O-N 3.26Å; E82-L85 PolarHBondContact O-N 2.98Å; E82-L86 PolarHBondContact O-N 3.26Å; E82-L86 VanDerWaalsContact O-N 3.14Å
83K66.5Low72.6Confident156 Ų156102.6 Ų102.668%0.67856%0.563SS**Hα-helixtrans-68.4-26.1177.562.7179.8179.1175.30114.1D81D81-K83 HydrophobicContact CB-CG 4.39Å; D81-K83 PolarHBondContact O-N 3.02Å; D81-K83 VanDerWaalsContact O-N 3.16Å; D81-K83 WeakPolarHBondContact OD2-CE 3.22Å
84D67.1Low72.3Confident98 Ų9899.2 Ų99.252%0.52454%0.541SS..Hα-helixtrans-94.6-23.9178.6-56.9-43000111.1Y80 D81 E82Y80-D84 HydrophobicContact CD1-CB 4.2Å; D81-D84 CarbonylContact O-C 3.53Å; D81-D84 WeakPolarHBondContact O-CA 3.26Å; D81-D84 PolarHBondContact O-N 3.17Å; E82-D84 VanDerWaalsContact C-N 3.31Å; E82-D84 PolarHBondContact O-N 3.26Å
85L64.3Low72.3Confident69 Ų6993 Ų9336%0.36151%0.508SS..Hα-helixtrans-81.3-32-178.7-172.369.4000112.5L30 Y80 D81 E82 P87L30-L85 HydrophobicContact CD1-CD1 3.65Å; L30-L85 HydrophobicContact CD1-CD2 4.38Å; L30-L85 HydrophobicContact CD2-CD1 4.34Å; L30-L85 HydrophobicContact CD2-CD2 4.28Å; Y80-L85 HydrophobicContact CD2-CD1 4.12Å; Y80-L85 HydrophobicContact CG-CD1 4.14Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 PolarHBondContact O-N 2.92Å; E82-L85 PolarHBondContact O-N 2.98Å; L85-P87 VanDerWaalsContact C-N 3.31Å; L85-P87 WeakPolarHBondContact O-CD 3.37Å; L85-P87 VanDerWaalsContact O-CG 3.27Å; L85-P87 WeakPolarHBondContact O-CG 3.3Å
86L58.9Low72.6Confident87 Ų8795 Ų9546%0.45552%0.52SS..SBendtrans-68.891.8165-73.3174000106.6E82E82-L86 PolarHBondContact O-N 3.26Å; E82-L86 VanDerWaalsContact O-N 3.14Å
87P53.9Low72.7Confident70 Ų7092.8 Ų92.846%0.45551%0.507SS..  trans-69.8175.8177.50.324.4000105.5L85 L89L85-P87 VanDerWaalsContact C-N 3.31Å; L85-P87 WeakPolarHBondContact O-CD 3.37Å; L85-P87 VanDerWaalsContact O-CG 3.27Å; L85-P87 WeakPolarHBondContact O-CG 3.3Å; P87-L89 HydrophobicContact CB-CG 4.13Å; P87-L89 HydrophobicContact CG-CD1 3.8Å; P87-L89 HydrophobicContact CG-CG 3.82Å; P87-L89 PolarHBondContact O-N 2.91Å
88S57.2Low72.8Confident133 Ų13388.9 Ų88.993%0.9349%0.487SS*.SBendtrans-59.125.7166.544.20000114.8
89L63.6Low73Confident104 Ų10489.7 Ų89.755%0.54548%0.482SS..  trans-59.7134.7166.2-66178.4000109.2P87 I91P87-L89 HydrophobicContact CB-CG 4.13Å; P87-L89 HydrophobicContact CG-CD1 3.8Å; P87-L89 HydrophobicContact CG-CG 3.82Å; P87-L89 PolarHBondContact O-N 2.91Å; L89-I91 PolarHBondContact O-N 2.83Å
90P71.3Confident73.4Confident71 Ų7191.5 Ų91.546%0.46147%0.473SS..  trans-55119170.7-23.833.2000109.6S92 K93 P94P90-S92 WeakPolarHBondContact CB-OG 3.18Å; P90-S92 PolarHBondContact O-N 2.97Å; P90-K93 PolarHBondContact O-N 2.67Å; P90-P94 WeakPolarHBondContact O-CD 3.17Å
91I72.3Confident74.1Confident66 Ų6687.5 Ų87.534%0.33846%0.461SS..THydrogen-bonded Turntrans-53-26.4179.6-63.5162000111.3L89 K93 P94 L95 I127 T131L89-I91 PolarHBondContact O-N 2.83Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.86Å; I91-P94 WeakPolarHBondContact O-CD 3.21Å; I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 3.99Å; I91-L95 WeakPolarHBondContact O-CB 3.42Å; I91-L95 WeakPolarHBondContact O-CG 3.19Å; I91-L95 PolarHBondContact O-N 3.35Å; I91-I127 HydrophobicContact CD1-CG2 3.99Å; I91-I127 HydrophobicContact CG1-CG2 4.06Å; I91-I127 HydrophobicContact CG2-CG2 3.73Å; I91-T131 HydrophobicContact CD1-CG2 3.75Å
92S78.2Confident74.8Confident64 Ų6483.3 Ų83.345%0.44844%0.438SS..Hα-helixtrans-54.5-43174.755.60000113.5P90 L95 D96P90-S92 WeakPolarHBondContact CB-OG 3.18Å; P90-S92 PolarHBondContact O-N 2.97Å; S92-L95 PolarHBondContact O-N 2.91Å; S92-D96 WeakPolarHBondContact O-CB 3.43Å; S92-D96 PolarHBondContact O-N 3.46Å
93K80Confident75.8Confident141 Ų14182.3 Ų82.361%0.61344%0.436SS*.Hα-helixtrans-67-49.1-174.1-73.2-174.2176.9-173.70113.5P90 I91 L95 D96 T97P90-K93 PolarHBondContact O-N 2.67Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.86Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.2Å; K93-D96 PolarHBondContact O-N 2.84Å; K93-T97 PolarHBondContact O-N 2.65Å; K93-T97 VanDerWaalsContact O-N 3.13Å; K93-T97 PolarHBondContact O-OG1 3.11Å
94P78.5Confident76.8Confident63 Ų6378.4 Ų78.441%0.40943%0.425SS..Hα-helixtrans-60-39.8172.4-25.534.3000112.9P90 I91 T97 L98P90-P94 WeakPolarHBondContact O-CD 3.17Å; I91-P94 WeakPolarHBondContact O-CD 3.21Å; P94-T97 PolarHBondContact O-N 3.36Å; P94-L98 WeakPolarHBondContact O-CB 3.47Å; P94-L98 PolarHBondContact O-N 3.36Å
95L82.9Confident77.6Confident14 Ų1475.2 Ų75.27%0.07341%0.408CS..Hα-helixtrans-65.5-42.7179.5-78.8-174.8000112.4I91 S92 K93 T97 L98 Y99 Y120 A124 I127I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 3.99Å; I91-L95 WeakPolarHBondContact O-CB 3.42Å; I91-L95 WeakPolarHBondContact O-CG 3.19Å; I91-L95 PolarHBondContact O-N 3.35Å; S92-L95 PolarHBondContact O-N 2.91Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.2Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 2.85Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-Y99 WeakPolarHBondContact O-CB 3.4Å; L95-Y99 PolarHBondContact O-N 3.36Å; L95-Y120 HydrophobicContact CB-CD2 4.46Å; L95-Y120 HydrophobicContact CB-CE2 3.62Å; L95-Y120 HydrophobicContact CD1-CE2 4.46Å; L95-Y120 HydrophobicContact CD2-CD2 4.42Å; L95-Y120 HydrophobicContact CD2-CE2 4.21Å; L95-Y120 HydrophobicContact CG-CE2 4.32Å; L95-Y120 WeakPolarHBondContact O-CE2 3.46Å; L95-A124 HydrophobicContact CD1-CB 3.87Å; L95-A124 HydrophobicContact CD2-CB 4.24Å; L95-I127 HydrophobicContact CD2-CD1 4.03Å
96D86Confident78.5Confident97 Ų9777.8 Ų77.852%0.51943%0.426SS..Hα-helixtrans-60.9-43.4175-69.6-24000111.1S92 K93 Y99 Y100S92-D96 WeakPolarHBondContact O-CB 3.43Å; S92-D96 PolarHBondContact O-N 3.46Å; K93-D96 PolarHBondContact O-N 2.84Å; D96-Y99 PolarHBondContact O-N 2.82Å; D96-Y100 WeakPolarHBondContact O-CB 2.82Å; D96-Y100 PolarHBondContact O-N 3.41Å
97T84.8Confident79.8Confident79 Ų7978 Ų7849%0.48543%0.427SS..Hα-helixtrans-63.7-44.4177.1-54.50000110.9K93 P94 L95 Y100 L101K93-T97 PolarHBondContact O-N 2.65Å; K93-T97 VanDerWaalsContact O-N 3.13Å; K93-T97 PolarHBondContact O-OG1 3.11Å; P94-T97 PolarHBondContact O-N 3.36Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 2.85Å; T97-Y100 PolarHBondContact O-N 3.49Å; T97-L101 HydrophobicContact CG2-CD1 4.04Å; T97-L101 HydrophobicContact CG2-CG 4.41Å; T97-L101 WeakPolarHBondContact O-CB 3.27Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.36Å; T97-L101 PolarHBondContact O-N 3.49Å
98L85Confident81.2Confident25 Ų2574.7 Ų74.713%0.13141%0.406CS..Hα-helixtrans-60.3-47.2175.9176.763000111.1I45 L48 P94 L95 Y100 L101 L102 R123I45-L98 HydrophobicContact CG1-CD1 4.43Å; L48-L98 HydrophobicContact CD1-CD1 4.46Å; P94-L98 WeakPolarHBondContact O-CB 3.47Å; P94-L98 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 2.96Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 2.88Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-L102 HydrophobicContact CD1-CD1 3.96Å; L98-L102 HydrophobicContact CD1-CG 4.06Å; L98-L102 HydrophobicContact CG-CD1 3.88Å; L98-L102 HydrophobicContact CG-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.99Å; L98-R123 HydrophobicContact CD2-CB 4Å; L98-R123 HydrophobicContact CD2-CG 4.1Å
99Y87.3Confident82.5Confident93 Ų9375 Ų7537%0.36539%0.391SS..Hα-helixtrans-60.9-45.3179-171.7-112.5000111.5L95 D96 L102 N103 P116 W117 Y120L95-Y99 WeakPolarHBondContact O-CB 3.4Å; L95-Y99 PolarHBondContact O-N 3.36Å; D96-Y99 PolarHBondContact O-N 2.82Å; Y99-L102 PolarHBondContact O-N 3.16Å; Y99-N103 WeakPolarHBondContact CD1-ND2 3.29Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.48Å; Y99-N103 WeakPolarHBondContact CE2-ND2 3.5Å; Y99-N103 PolarHBondContact O-N 3Å; Y99-N103 VanDerWaalsContact O-N 3.07Å; Y99-N103 PolarHBondContact O-ND2 3.49Å; Y99-P116 HydrophobicContact CE2-CB 4.42Å; Y99-W117 HydrophobicContact CE2-CB 4.32Å; Y99-Y120 HydrophobicContact CD2-CD2 4.07Å; Y99-Y120 HydrophobicContact CD2-CG 4.1Å; Y99-Y120 HydrophobicContact CG-CD2 4.23Å
100Y89.3Confident83.4Confident154 Ų15476.3 Ų76.360%0.60440%0.399SS*.Hα-helixtrans-57.6-52174.8173.5-100.3000111.3D96 T97 L98 L102 N103 T104D96-Y100 WeakPolarHBondContact O-CB 2.82Å; D96-Y100 PolarHBondContact O-N 3.41Å; T97-Y100 PolarHBondContact O-N 3.49Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 2.88Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.15Å; Y100-N103 PolarHBondContact O-N 3.25Å; Y100-N103 VanDerWaalsContact O-N 3.13Å; Y100-T104 HydrophobicContact CD1-CG2 4.37Å; Y100-T104 HydrophobicContact CD2-CG2 4.19Å; Y100-T104 HydrophobicContact CE1-CG2 3.96Å; Y100-T104 HydrophobicContact CE2-CG2 3.76Å; Y100-T104 HydrophobicContact CG-CG2 4.48Å; Y100-T104 WeakPolarHBondContact O-CG2 3.33Å; Y100-T104 PolarHBondContact O-N 3.43Å; Y100-T104 PolarHBondContact O-OG1 3.47Å
101L87.3Confident83.9Confident58 Ų5877 Ų7730%0.30439%0.392SS..Hα-helixtrans-58.8-44.4-179.1-72.4172.9000112.1L48 T97 L98 N103 T104 E105L48-L101 HydrophobicContact CD1-CB 3.93Å; L48-L101 HydrophobicContact CD2-CB 4.14Å; T97-L101 HydrophobicContact CG2-CD1 4.04Å; T97-L101 HydrophobicContact CG2-CG 4.41Å; T97-L101 WeakPolarHBondContact O-CB 3.27Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.36Å; T97-L101 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 3.34Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 3.07Å; L101-T104 WeakPolarHBondContact CA-OG1 3.29Å; L101-T104 PolarHBondContact O-N 2.95Å; L101-T104 PolarHBondContact O-OG1 3.24Å; L101-E105 WeakPolarHBondContact O-CB 3.49Å; L101-E105 PolarHBondContact O-N 3.24Å; L101-E105 VanDerWaalsContact O-N 3.16Å
102L87.9Confident84.4Confident2 Ų274.5 Ų74.51%0.0138%0.38CS..Hα-helixtrans-62.3-37.7177.3-71.4169.9000112.7V44 L48 L98 Y99 Y100 L108 P116 L119V44-L102 HydrophobicContact CG1-CD2 3.92Å; L48-L102 HydrophobicContact CD1-CD2 3.97Å; L48-L102 HydrophobicContact CD1-CG 4.3Å; L98-L102 HydrophobicContact CD1-CD1 3.96Å; L98-L102 HydrophobicContact CD1-CG 4.06Å; L98-L102 HydrophobicContact CG-CD1 3.88Å; L98-L102 HydrophobicContact CG-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.99Å; Y99-L102 PolarHBondContact O-N 3.16Å; Y100-L102 VanDerWaalsContact C-N 3.34Å; Y100-L102 PolarHBondContact O-N 3.15Å; L102-L108 HydrophobicContact CB-CD2 4.43Å; L102-L108 HydrophobicContact CD2-CD1 3.83Å; L102-L108 HydrophobicContact CD2-CD2 4.22Å; L102-P116 HydrophobicContact CB-CB 3.75Å; L102-P116 HydrophobicContact CB-CG 4.32Å; L102-L119 HydrophobicContact CD1-CB 3.87Å; L102-L119 HydrophobicContact CD2-CD1 3.97Å
103N88.6Confident84.7Confident84 Ų8481.7 Ų81.745%0.44940%0.404SS..Hα-helixtrans-73.6-31.1177.1-78.2-69.3000113Y99 Y100 L101 E105Y99-N103 WeakPolarHBondContact CD1-ND2 3.29Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.48Å; Y99-N103 WeakPolarHBondContact CE2-ND2 3.5Å; Y99-N103 PolarHBondContact O-N 3Å; Y99-N103 VanDerWaalsContact O-N 3.07Å; Y99-N103 PolarHBondContact O-ND2 3.49Å; Y100-N103 PolarHBondContact O-N 3.25Å; Y100-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 3.07Å; N103-E105 VanDerWaalsContact C-N 3.26Å; N103-E105 PolarHBondContact O-N 3.3Å
104T87.9Confident85Confident74 Ų7478.9 Ų78.945%0.45440%0.395SS..Hα-helixtrans-79-10.2176.760.90000113.6Y100 L101 T106Y100-T104 HydrophobicContact CD1-CG2 4.37Å; Y100-T104 HydrophobicContact CD2-CG2 4.19Å; Y100-T104 HydrophobicContact CE1-CG2 3.96Å; Y100-T104 HydrophobicContact CE2-CG2 3.76Å; Y100-T104 HydrophobicContact CG-CG2 4.48Å; Y100-T104 WeakPolarHBondContact O-CG2 3.33Å; Y100-T104 PolarHBondContact O-N 3.43Å; Y100-T104 PolarHBondContact O-OG1 3.47Å; L101-T104 WeakPolarHBondContact CA-OG1 3.29Å; L101-T104 PolarHBondContact O-N 2.95Å; L101-T104 PolarHBondContact O-OG1 3.24Å; T104-T106 PolarHBondContact O-N 3.26Å
105E83.7Confident85.4Confident32 Ų3279.8 Ų79.815%0.1540%0.396CS..  trans-85.8110.3-174.9-175170.1-151.400112.6L48 L101 N103 N107 L108 R111L48-E105 HydrophobicContact CD2-CB 4.19Å; L48-E105 HydrophobicContact CD2-CG 4.35Å; L48-E105 WeakPolarHBondContact CD2-OE2 3.14Å; L101-E105 WeakPolarHBondContact O-CB 3.49Å; L101-E105 PolarHBondContact O-N 3.24Å; L101-E105 VanDerWaalsContact O-N 3.16Å; N103-E105 VanDerWaalsContact C-N 3.26Å; N103-E105 PolarHBondContact O-N 3.3Å; E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 2.87Å; E105-L108 HydrophobicContact CB-CB 4.44Å; E105-L108 HydrophobicContact CG-CB 4.32Å; E105-R111 IonicContact OE1-CZ 2.67Å; E105-R111 IonicContact OE1-NH1 2.64Å; E105-R111 PolarHBondContact OE1-NH1 2.86Å; E105-R111 IonicContact OE1-NH2 3.57Å; E105-R111 PolarHBondContact OE1-NH2 2.87Å; E105-R111 IonicContact OE2-CZ 2.79Å; E105-R111 IonicContact OE2-NH1 3.4Å; E105-R111 IonicContact OE2-NH2 2.65Å; E105-R111 PolarHBondContact OE2-NH2 2.92Å
106T84.6Confident85.6Confident122 Ų12279.9 Ų79.975%0.74840%0.398SS*.THydrogen-bonded Turntrans-66.3-30.1-178.955.30000114T104T104-T106 PolarHBondContact O-N 3.26Å
107N84.7Confident85.6Confident91 Ų9183 Ų8349%0.48740%0.403SS..THydrogen-bonded Turntrans-97.810.9-173.4-68.5-41.8000113.8E105 F109 N110E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 2.87Å; N107-F109 VanDerWaalsContact C-N 3.34Å; N107-F109 PolarHBondContact O-N 2.95Å; N107-N110 WeakPolarHBondContact O-CB 3.49Å; N107-N110 PolarHBondContact O-N 3.14Å; N107-N110 VanDerWaalsContact O-N 3.14Å; N107-N110 PolarHBondContact OD1-ND2 3.13Å
108L84.2Confident85.7Confident1 Ų179.8 Ų79.81%0.00539%0.385CS..G310 helixtrans-58.5-45.2-174.6-177.363.2000112.3V44 L102 E105 N110 R111 S112 P116 L119V44-L108 HydrophobicContact CG1-CD1 4.26Å; L102-L108 HydrophobicContact CB-CD2 4.43Å; L102-L108 HydrophobicContact CD2-CD1 3.83Å; L102-L108 HydrophobicContact CD2-CD2 4.22Å; E105-L108 HydrophobicContact CB-CB 4.44Å; E105-L108 HydrophobicContact CG-CB 4.32Å; L108-N110 PolarHBondContact O-N 3.44Å; L108-R111 WeakPolarHBondContact O-CG 3.19Å; L108-R111 PolarHBondContact O-N 2.79Å; L108-R111 VanDerWaalsContact O-N 3.11Å; L108-S112 PolarHBondContact O-N 3.4Å; L108-P116 HydrophobicContact CD2-CB 4.33Å; L108-P116 HydrophobicContact CD2-CG 3.56Å; L108-L119 HydrophobicContact CD1-CD1 3.72Å; L108-L119 HydrophobicContact CD2-CD1 4.11Å; L108-L119 HydrophobicContact CG-CD1 4.28Å
109F83.5Confident85.7Confident141 Ų14179.3 Ų79.362%0.61838%0.382SS*.G310 helixtrans-66.9-18-179.1-62.8-71.1000113.8N107 R111 N115N107-F109 VanDerWaalsContact C-N 3.34Å; N107-F109 PolarHBondContact O-N 2.95Å; F109-R111 PolarHBondContact O-N 2.8Å; F109-N115 HydrophobicContact CE1-CB 4.36Å
110N84.4Confident85.7Confident131 Ų13177.8 Ų77.870%0.70138%0.376SS*.G310 helixtrans-71.5-19.8175.6-62.3-18.6000112N107 L108N107-N110 WeakPolarHBondContact O-CB 3.49Å; N107-N110 PolarHBondContact O-N 3.14Å; N107-N110 VanDerWaalsContact O-N 3.14Å; N107-N110 PolarHBondContact OD1-ND2 3.13Å; L108-N110 PolarHBondContact O-N 3.44Å
111R81.8Confident85.5Confident84 Ų8471.5 Ų71.532%0.31736%0.357SS..THydrogen-bonded Turntrans-127.1-7.5-17669.2169.4-172.9-107.53.8115.2V44 P47 E105 L108 F109V44-R111 PolarHBondContact O-NH2 3.1Å; P47-R111 VanDerWaalsContact CB-NH1 3.25Å; P47-R111 VanDerWaalsContact CG-CZ 3.45Å; E105-R111 IonicContact OE1-CZ 2.67Å; E105-R111 IonicContact OE1-NH1 2.64Å; E105-R111 PolarHBondContact OE1-NH1 2.86Å; E105-R111 IonicContact OE1-NH2 3.57Å; E105-R111 PolarHBondContact OE1-NH2 2.87Å; E105-R111 IonicContact OE2-CZ 2.79Å; E105-R111 IonicContact OE2-NH1 3.4Å; E105-R111 IonicContact OE2-NH2 2.65Å; E105-R111 PolarHBondContact OE2-NH2 2.92Å; L108-R111 WeakPolarHBondContact O-CG 3.19Å; L108-R111 PolarHBondContact O-N 2.79Å; L108-R111 VanDerWaalsContact O-N 3.11Å; F109-R111 PolarHBondContact O-N 2.8Å
112S81.8Confident85.3Confident14 Ų1471.9 Ų71.910%0.09836%0.361CS..  trans-137.6133.8-179.11770000110.3L108 L114L108-S112 PolarHBondContact O-N 3.4Å; S112-L114 VanDerWaalsContact C-N 3.28Å; S112-L114 PolarHBondContact OG-N 2.88Å; S112-L114 PolarHBondContact OG-O 3.33Å
113K85.5Confident85.1Confident216 Ų21674.9 Ų74.994%0.93937%0.372SS*.SBendtrans-77.3-19.2167.8-64.1-177.5-179.51790112.2
114L85.2Confident84.8Confident82 Ų8271.5 Ų71.543%0.42936%0.356SS..SBendtrans-84.1137.9176.4-61.8177.7000109.9S112 L119S112-L114 VanDerWaalsContact C-N 3.28Å; S112-L114 PolarHBondContact OG-N 2.88Å; S112-L114 PolarHBondContact OG-O 3.33Å; L114-L119 HydrophobicContact CB-CD2 4.12Å; L114-L119 HydrophobicContact CB-CG 3.89Å; L114-L119 HydrophobicContact CD1-CD2 4Å; L114-L119 HydrophobicContact CD1-CG 4.47Å
115N87.5Confident84.5Confident82 Ų8273.4 Ų73.444%0.43936%0.363SS..  trans-71169.3169.669.116.5000110.7F109 W117 G118 L119F109-N115 HydrophobicContact CE1-CB 4.36Å; N115-W117 PolarHBondContact O-N 2.83Å; N115-W117 PolarHBondContact OD1-N 2.86Å; N115-G118 PolarHBondContact O-N 3.24Å; N115-G118 VanDerWaalsContact O-N 3.12Å; N115-G118 PolarHBondContact OD1-N 2.93Å; N115-L119 PolarHBondContact O-N 3.25Å
116P86.1Confident84.4Confident16 Ų1676 Ų7610%0.10438%0.375CS..Hα-helixtrans-49.2-42.4178.6-3237000114.1Y99 L102 L108 L119 Y120Y99-P116 HydrophobicContact CE2-CB 4.42Å; L102-P116 HydrophobicContact CB-CB 3.75Å; L102-P116 HydrophobicContact CB-CG 4.32Å; L108-P116 HydrophobicContact CD2-CB 4.33Å; L108-P116 HydrophobicContact CD2-CG 3.56Å; P116-L119 PolarHBondContact O-N 3.25Å; P116-Y120 WeakPolarHBondContact O-CB 3.14Å; P116-Y120 PolarHBondContact O-N 3.33Å
117W86.8Confident83.9Confident163 Ų16372 Ų7262%0.61735%0.348SS*.Hα-helixtrans-65.5-42.8-179.2-173.992000112.5Y99 N115 L119 Y120 A121Y99-W117 HydrophobicContact CE2-CB 4.32Å; N115-W117 PolarHBondContact O-N 2.83Å; N115-W117 PolarHBondContact OD1-N 2.86Å; W117-L119 VanDerWaalsContact C-N 3.31Å; W117-L119 PolarHBondContact O-N 2.85Å; W117-Y120 WeakPolarHBondContact O-CB 3.34Å; W117-Y120 PolarHBondContact O-N 3.49Å; W117-A121 HydrophobicContact CE3-CB 4.3Å; W117-A121 HydrophobicContact CH2-CB 4.12Å; W117-A121 HydrophobicContact CZ2-CB 4.42Å; W117-A121 HydrophobicContact CZ3-CB 4.05Å; W117-A121 WeakPolarHBondContact O-CB 3.47Å; W117-A121 PolarHBondContact O-N 2.82Å
118G86.2Confident83.6Confident11 Ų1173.5 Ų73.511%0.11335%0.353CS..Hα-helixtrans-61.4-41.517800000112N115 A121 T122N115-G118 PolarHBondContact O-N 3.24Å; N115-G118 VanDerWaalsContact O-N 3.12Å; N115-G118 PolarHBondContact OD1-N 2.93Å; G118-A121 PolarHBondContact O-N 3.49Å; G118-T122 PolarHBondContact O-N 3.49Å; G118-T122 PolarHBondContact O-OG1 3.06Å
119L85.3Confident83.1Confident15 Ų1577.7 Ų77.78%0.07939%0.388CS..Hα-helixtrans-68.2-41.4177.1-69.3164.8000112.5V44 L102 L108 L114 N115 P116 W117 R123V44-L119 HydrophobicContact CB-CD2 4.29Å; V44-L119 HydrophobicContact CG1-CD1 3.55Å; V44-L119 HydrophobicContact CG1-CD2 3.91Å; V44-L119 HydrophobicContact CG1-CG 4.21Å; V44-L119 HydrophobicContact CG2-CD1 4.4Å; V44-L119 HydrophobicContact CG2-CD2 3.8Å; L102-L119 HydrophobicContact CD1-CB 3.87Å; L102-L119 HydrophobicContact CD2-CD1 3.97Å; L108-L119 HydrophobicContact CD1-CD1 3.72Å; L108-L119 HydrophobicContact CD2-CD1 4.11Å; L108-L119 HydrophobicContact CG-CD1 4.28Å; L114-L119 HydrophobicContact CB-CD2 4.12Å; L114-L119 HydrophobicContact CB-CG 3.89Å; L114-L119 HydrophobicContact CD1-CD2 4Å; L114-L119 HydrophobicContact CD1-CG 4.47Å; N115-L119 PolarHBondContact O-N 3.25Å; P116-L119 PolarHBondContact O-N 3.25Å; W117-L119 VanDerWaalsContact C-N 3.31Å; W117-L119 PolarHBondContact O-N 2.85Å; L119-R123 PolarHBondContact O-N 2.96Å; L119-R123 VanDerWaalsContact O-N 3.11Å
120Y87.1Confident82.5Confident60 Ų6074.2 Ų74.224%0.23539%0.385CS..Hα-helixtrans-56.8-51171.7170.8-85.7000111.2L95 Y99 P116 W117 T122 R123 A124L95-Y120 HydrophobicContact CB-CD2 4.46Å; L95-Y120 HydrophobicContact CB-CE2 3.62Å; L95-Y120 HydrophobicContact CD1-CE2 4.46Å; L95-Y120 HydrophobicContact CD2-CD2 4.42Å; L95-Y120 HydrophobicContact CD2-CE2 4.21Å; L95-Y120 HydrophobicContact CG-CE2 4.32Å; L95-Y120 WeakPolarHBondContact O-CE2 3.46Å; Y99-Y120 HydrophobicContact CD2-CD2 4.07Å; Y99-Y120 HydrophobicContact CD2-CG 4.1Å; Y99-Y120 HydrophobicContact CG-CD2 4.23Å; P116-Y120 WeakPolarHBondContact O-CB 3.14Å; P116-Y120 PolarHBondContact O-N 3.33Å; W117-Y120 WeakPolarHBondContact O-CB 3.34Å; W117-Y120 PolarHBondContact O-N 3.49Å; Y120-T122 PolarHBondContact O-N 3.33Å; Y120-R123 PolarHBondContact O-N 3.24Å; Y120-A124 HydrophobicContact CE1-CB 4.49Å; Y120-A124 WeakPolarHBondContact O-CB 3.38Å; Y120-A124 PolarHBondContact O-N 3.01Å
121A85.1Confident81.7Confident23 Ų2370.5 Ų70.519%0.1937%0.367CS..Hα-helixtrans-62.1-42.5-177.600000111.7W117 G118 R123 A124 L125W117-A121 HydrophobicContact CE3-CB 4.3Å; W117-A121 HydrophobicContact CH2-CB 4.12Å; W117-A121 HydrophobicContact CZ2-CB 4.42Å; W117-A121 HydrophobicContact CZ3-CB 4.05Å; W117-A121 WeakPolarHBondContact O-CB 3.47Å; W117-A121 PolarHBondContact O-N 2.82Å; G118-A121 PolarHBondContact O-N 3.49Å; A121-R123 PolarHBondContact O-N 3.02Å; A121-A124 PolarHBondContact O-N 3.37Å; A121-L125 WeakPolarHBondContact O-CG 3.45Å; A121-L125 PolarHBondContact O-N 3.1Å; A121-L125 VanDerWaalsContact O-N 3.12Å
122T83.6Confident80.7Confident66 Ų6672.2 Ų72.241%0.40539%0.389SS..Hα-helixtrans-60-44.8175-59.10000111.9G118 Y120 L125 E126G118-T122 PolarHBondContact O-N 3.49Å; G118-T122 PolarHBondContact O-OG1 3.06Å; Y120-T122 PolarHBondContact O-N 3.33Å; T122-L125 PolarHBondContact O-N 3.37Å; T122-E126 WeakPolarHBondContact O-CG 3.45Å; T122-E126 PolarHBondContact O-N 2.88Å; T122-E126 VanDerWaalsContact O-N 3.09Å
123R82.8Confident79.7Confident64 Ų6480.8 Ų80.824%0.24243%0.425CS..Hα-helixtrans-70.8-37.1179.5-72.3-55.3-169163.93.6113.3L98 L119 Y120 A121 L125 E126 I127L98-R123 HydrophobicContact CD2-CB 4Å; L98-R123 HydrophobicContact CD2-CG 4.1Å; L119-R123 PolarHBondContact O-N 2.96Å; L119-R123 VanDerWaalsContact O-N 3.11Å; Y120-R123 PolarHBondContact O-N 3.24Å; A121-R123 PolarHBondContact O-N 3.02Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.45Å; R123-E126 WeakPolarHBondContact CD-OE2 3.48Å; R123-E126 IonicContact CZ-OE2 3.5Å; R123-E126 IonicContact NE-OE2 3.8Å; R123-E126 IonicContact NH1-OE2 2.69Å; R123-E126 PolarHBondContact NH1-OE2 3.16Å; R123-E126 PolarHBondContact O-N 2.64Å; R123-I127 VanDerWaalsContact O-CG1 3.31Å; R123-I127 WeakPolarHBondContact O-CG1 3.48Å; R123-I127 PolarHBondContact O-N 2.89Å
124A82.7Confident78.1Confident13 Ų1374.7 Ų74.711%0.10741%0.414CS..Hα-helixtrans-58.1-46.2174.200000111L95 Y120 A121 E126 I127 E128L95-A124 HydrophobicContact CD1-CB 3.87Å; L95-A124 HydrophobicContact CD2-CB 4.24Å; Y120-A124 HydrophobicContact CE1-CB 4.49Å; Y120-A124 WeakPolarHBondContact O-CB 3.38Å; Y120-A124 PolarHBondContact O-N 3.01Å; A121-A124 PolarHBondContact O-N 3.37Å; A124-E126 PolarHBondContact O-N 3.44Å; A124-I127 PolarHBondContact O-N 3.42Å; A124-E128 WeakPolarHBondContact O-CG 3.42Å; A124-E128 PolarHBondContact O-N 3.4Å
125L82.8Confident76Confident114 Ų11477.8 Ų77.860%0.59744%0.436SS*.Hα-helixtrans-63.8-40176.6-69.8172.2000113.1A121 T122 R123 E128 A129A121-L125 WeakPolarHBondContact O-CG 3.45Å; A121-L125 PolarHBondContact O-N 3.1Å; A121-L125 VanDerWaalsContact O-N 3.12Å; T122-L125 PolarHBondContact O-N 3.37Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 3.45Å; L125-E128 PolarHBondContact O-N 3.43Å; L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.18Å
126E80.8Confident74Confident87 Ų8783.2 Ų83.241%0.40747%0.473SS..Hα-helixtrans-63.6-42.6175.6-75.8178.1176.600112.1T122 R123 A124 A129 A130T122-E126 WeakPolarHBondContact O-CG 3.45Å; T122-E126 PolarHBondContact O-N 2.88Å; T122-E126 VanDerWaalsContact O-N 3.09Å; R123-E126 WeakPolarHBondContact CD-OE2 3.48Å; R123-E126 IonicContact CZ-OE2 3.5Å; R123-E126 IonicContact NE-OE2 3.8Å; R123-E126 IonicContact NH1-OE2 2.69Å; R123-E126 PolarHBondContact NH1-OE2 3.16Å; R123-E126 PolarHBondContact O-N 2.64Å; A124-E126 PolarHBondContact O-N 3.44Å; E126-A129 PolarHBondContact O-N 3.45Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.2Å
127I75.2Confident73.3Confident37 Ų3786.6 Ų86.619%0.1949%0.491CS..Hα-helixtrans-65.9-45.5177.8-66.2167.3000110I91 L95 R123 A124 A129 A130 T131I91-I127 HydrophobicContact CD1-CG2 3.99Å; I91-I127 HydrophobicContact CG1-CG2 4.06Å; I91-I127 HydrophobicContact CG2-CG2 3.73Å; L95-I127 HydrophobicContact CD2-CD1 4.03Å; R123-I127 VanDerWaalsContact O-CG1 3.31Å; R123-I127 WeakPolarHBondContact O-CG1 3.48Å; R123-I127 PolarHBondContact O-N 2.89Å; A124-I127 PolarHBondContact O-N 3.42Å; I127-A129 VanDerWaalsContact C-N 3.28Å; I127-A129 PolarHBondContact O-N 3.35Å; I127-A130 PolarHBondContact O-N 3.14Å; I127-A130 VanDerWaalsContact O-N 3.11Å; I127-T131 HydrophobicContact CG2-CG2 4.2Å; I127-T131 VanDerWaalsContact O-CG2 3.3Å; I127-T131 WeakPolarHBondContact O-CG2 3.31Å; I127-T131 PolarHBondContact O-N 3.43Å; I127-T131 PolarHBondContact O-OG1 3.39Å
128E77.1Confident72.6Confident124 Ų12482.6 Ų82.658%0.57949%0.485SS*.Hα-helixtrans-58.9-38.8175.5-75.5178.1-176.300112.3A124 L125 T131A124-E128 WeakPolarHBondContact O-CG 3.42Å; A124-E128 PolarHBondContact O-N 3.4Å; L125-E128 PolarHBondContact O-N 3.43Å; E128-T131 PolarHBondContact O-OG1 3.18Å
129A74.5Confident71.9Confident89 Ų8986.6 Ų86.674%0.73651%0.505SS*.Hα-helixtrans-70-31.4175.900000113.1L125 E126 I127L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.18Å; E126-A129 PolarHBondContact O-N 3.45Å; I127-A129 VanDerWaalsContact C-N 3.28Å; I127-A129 PolarHBondContact O-N 3.35Å
130A70.7Confident71.1Confident68 Ų6890.8 Ų90.856%0.56253%0.53SS*.Hα-helixtrans-83.4-26179.100000113.1E126 I127 P132E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.2Å; I127-A130 PolarHBondContact O-N 3.14Å; I127-A130 VanDerWaalsContact O-N 3.11Å; A130-P132 WeakPolarHBondContact O-CD 3.26Å
131T67.2Low70.1Confident52 Ų5292.7 Ų92.732%0.31955%0.549SS..SBendtrans-67.8125.6174.952.20000109.7I91 I127 E128 K133I91-T131 HydrophobicContact CD1-CG2 3.75Å; I127-T131 HydrophobicContact CG2-CG2 4.2Å; I127-T131 VanDerWaalsContact O-CG2 3.3Å; I127-T131 WeakPolarHBondContact O-CG2 3.31Å; I127-T131 PolarHBondContact O-N 3.43Å; I127-T131 PolarHBondContact O-OG1 3.39Å; E128-T131 PolarHBondContact O-OG1 3.18Å; T131-K133 PolarHBondContact O-N 3.4Å; T131-K133 VanDerWaalsContact O-N 3.15Å
132P61.4Low69.1Low120 Ų12097.3 Ų97.378%0.77957%0.573SS**PPolyproline II helixtrans-57.1124.8172.1-19.329.9000108.4A130 A134A130-P132 WeakPolarHBondContact O-CD 3.26Å; P132-A134 PolarHBondContact O-N 2.96Å
133K60.3Low68.1Low195 Ų19599.6 Ų99.685%0.84859%0.585SS**PPolyproline II helixtrans-54119164.8-73-173.9178.8-177.70106T131 V135T131-K133 PolarHBondContact O-N 3.4Å; T131-K133 VanDerWaalsContact O-N 3.15Å; K133-V135 PolarHBondContact O-N 2.84Å
134A52.1Low66.9Low88 Ų88102.3 Ų102.373%0.72761%0.611SS**  trans-52.9109.1171.300000106.6P132 T136P132-A134 PolarHBondContact O-N 2.96Å; A134-T136 PolarHBondContact O-N 2.94Å; A134-T136 PolarHBondContact O-OG1 3.04Å
135V41.5Very low65.6Low146 Ų146109.8 Ų109.889%0.88565%0.653SS**  trans-59.6110.5170.8175.50000104.4K133K133-V135 PolarHBondContact O-N 2.84Å
136T43.9Very low64Low197 Ų197109.4 Ų109.4100%1.20966%0.658SS**  trans-76.10175.8-37.50000108.8A134A134-T136 PolarHBondContact O-N 2.94Å; A134-T136 PolarHBondContact O-OG1 3.04Å

Retrieved 136 of 136 residues in 23.8 ms (Link to these results)