A0A087WR00_MOUSE Loading...

BCL2-related ovarian killer

AlphaFold DB , UniProt , Accession A0A087WR00, Species MOUSE (Mus musculus, Mouse), Gene Bok, Length 121 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
1M57.3Low61.7Low210 Ų210120.6 Ų120.6100%1.03461%0.607SS**  0-14.10-106.4-164.5-96.500114V3 R5M1-V3 PolarHBondContact O-N 2.87Å; M1-R5 PolarHBondContact O-N 3.26Å
2E55Low62.4Low143 Ų143114.9 Ų114.967%0.66859%0.592SS**Hα-helixtrans-56.3-42179.1-149.994.2-170.400114.8R5 R6E2-R5 PolarHBondContact O-N 2.97Å; E2-R6 WeakPolarHBondContact O-CG 3.24Å; E2-R6 PolarHBondContact O-N 2.73Å
3V56.5Low62.9Low112 Ų112115.6 Ų115.668%0.67959%0.591SS**Hα-helixtrans-68.4-42-171.9-158.70000111.3M1 R5 R6 S7M1-V3 PolarHBondContact O-N 2.87Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 2.87Å; V3-R6 PolarHBondContact O-N 3.42Å; V3-S7 PolarHBondContact O-N 3.08Å; V3-S7 PolarHBondContact O-OG 3.42Å; V3-S7 VanDerWaalsContact O-OG 3.05Å
4L56.4Low63.3Low134 Ų134112.2 Ų112.270%0.70257%0.574SS**Hα-helixtrans-64.8-36.6175-72162.9000111.8S7 S8L4-S7 PolarHBondContact O-N 3.22Å; L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 2.98Å
5R60.7Low63.5Low170 Ų170112.8 Ų112.864%0.64258%0.576SS**Hα-helixtrans-70.6-36.5177.6-148.8-169.38782.10.4112.5M1 E2 V3 S8 V9M1-R5 PolarHBondContact O-N 3.26Å; E2-R5 PolarHBondContact O-N 2.97Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 2.87Å; R5-S8 WeakPolarHBondContact CA-OG 3.41Å; R5-S8 PolarHBondContact O-OG 3.42Å; R5-V9 VanDerWaalsContact O-CG2 3.26Å; R5-V9 WeakPolarHBondContact O-CG2 3.47Å; R5-V9 PolarHBondContact O-N 3.34Å; R5-V9 VanDerWaalsContact O-N 3.14Å
6R60Low63.7Low190 Ų190110 Ų11072%0.71756%0.562SS**Hα-helixtrans-69-40173.9-70.9176.379.5169.64111.3E2 V3 V9 F10E2-R6 WeakPolarHBondContact O-CG 3.24Å; E2-R6 PolarHBondContact O-N 2.73Å; V3-R6 PolarHBondContact O-N 3.42Å; R6-V9 PolarHBondContact O-N 2.99Å; R6-F10 WeakPolarHBondContact O-CB 3.27Å; R6-F10 PolarHBondContact O-N 3.48Å; R6-F10 VanDerWaalsContact O-N 3.09Å
7S61.3Low63.5Low72 Ų72106.8 Ų106.850%0.50356%0.556SS.*Hα-helixtrans-65.3-37.5174.4-59.70000112.9V3 L4 A11V3-S7 PolarHBondContact O-N 3.08Å; V3-S7 PolarHBondContact O-OG 3.42Å; V3-S7 VanDerWaalsContact O-OG 3.05Å; L4-S7 PolarHBondContact O-N 3.22Å; S7-A11 WeakPolarHBondContact O-CB 3.4Å; S7-A11 PolarHBondContact O-N 2.74Å
8S64Low63.3Low64 Ų64109.4 Ų109.445%0.44856%0.563SS.*Hα-helixtrans-72.4-33.9178.162.50000113.4L4 R5 A12L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 2.98Å; R5-S8 WeakPolarHBondContact CA-OG 3.41Å; R5-S8 PolarHBondContact O-OG 3.42Å; S8-A12 WeakPolarHBondContact O-CB 3.45Å; S8-A12 PolarHBondContact O-N 3.15Å
9V69Low63.3Low59 Ų59111.1 Ų111.136%0.35857%0.573SS.*Hα-helixtrans-68.7-44.7174.8170.80000110.4R5 R6 A11 A12 E13R5-V9 VanDerWaalsContact O-CG2 3.26Å; R5-V9 WeakPolarHBondContact O-CG2 3.47Å; R5-V9 PolarHBondContact O-N 3.34Å; R5-V9 VanDerWaalsContact O-N 3.14Å; R6-V9 PolarHBondContact O-N 2.99Å; V9-A11 VanDerWaalsContact C-N 3.35Å; V9-A11 PolarHBondContact O-N 3.1Å; V9-A12 PolarHBondContact O-N 3.24Å; V9-E13 WeakPolarHBondContact O-CG 3.28Å; V9-E13 PolarHBondContact O-N 3.16Å
10F67.6Low63.5Low129 Ų129114.7 Ų114.757%0.56658%0.579SS**Hα-helixtrans-62.1-41.3175.1-177-110.6000112.4R6 A12 E13 I14R6-F10 WeakPolarHBondContact O-CB 3.27Å; R6-F10 PolarHBondContact O-N 3.48Å; R6-F10 VanDerWaalsContact O-N 3.09Å; F10-A12 VanDerWaalsContact C-N 3.34Å; F10-A12 PolarHBondContact O-N 2.91Å; F10-E13 PolarHBondContact O-N 2.88Å; F10-I14 HydrophobicContact CD1-CD1 3.76Å; F10-I14 HydrophobicContact CE1-CD1 3.31Å; F10-I14 HydrophobicContact CE1-CG1 4.41Å; F10-I14 HydrophobicContact CE2-CD1 4.17Å; F10-I14 HydrophobicContact CG-CD1 4.37Å; F10-I14 HydrophobicContact CZ-CD1 3.55Å; F10-I14 HydrophobicContact CZ-CG1 4.36Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 3.25Å
11A70.4Confident64.3Low44 Ų44112.1 Ų112.136%0.36457%0.572SS.*Hα-helixtrans-63.7-38.4174.100000112.4S7 V9 I14 M15S7-A11 WeakPolarHBondContact O-CB 3.4Å; S7-A11 PolarHBondContact O-N 2.74Å; V9-A11 VanDerWaalsContact C-N 3.35Å; V9-A11 PolarHBondContact O-N 3.1Å; A11-I14 PolarHBondContact O-N 3.01Å; A11-M15 WeakPolarHBondContact O-CG 3.32Å; A11-M15 PolarHBondContact O-N 3.21Å
12A70.8Confident65.6Low52 Ų52105 Ų10543%0.4354%0.541SS..Hα-helixtrans-67.9-39.6175.900000112.5S8 V9 F10 M15 D16S8-A12 WeakPolarHBondContact O-CB 3.45Å; S8-A12 PolarHBondContact O-N 3.15Å; V9-A12 PolarHBondContact O-N 3.24Å; F10-A12 VanDerWaalsContact C-N 3.34Å; F10-A12 PolarHBondContact O-N 2.91Å; A12-M15 PolarHBondContact O-N 3.26Å; A12-D16 WeakPolarHBondContact O-CB 3.48Å; A12-D16 PolarHBondContact O-N 2.88Å
13E68.9Low67.3Low124 Ų124101.8 Ų101.858%0.57953%0.531SS*.Hα-helixtrans-64.8-40174.3-75175176.500112.1V9 F10 A17V9-E13 WeakPolarHBondContact O-CG 3.28Å; V9-E13 PolarHBondContact O-N 3.16Å; F10-E13 PolarHBondContact O-N 2.88Å; E13-A17 VanDerWaalsContact O-CB 3.27Å; E13-A17 WeakPolarHBondContact O-CB 3.31Å; E13-A17 PolarHBondContact O-N 2.84Å
14I67.8Low69.1Low68 Ų68102.7 Ų102.735%0.34953%0.532SS..Hα-helixtrans-63.4-47174.4-73.1174.6000110.4F10 A11 A17 F18F10-I14 HydrophobicContact CD1-CD1 3.76Å; F10-I14 HydrophobicContact CE1-CD1 3.31Å; F10-I14 HydrophobicContact CE1-CG1 4.41Å; F10-I14 HydrophobicContact CE2-CD1 4.17Å; F10-I14 HydrophobicContact CG-CD1 4.37Å; F10-I14 HydrophobicContact CZ-CD1 3.55Å; F10-I14 HydrophobicContact CZ-CG1 4.36Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 3.25Å; A11-I14 PolarHBondContact O-N 3.01Å; I14-A17 WeakPolarHBondContact O-CB 3.23Å; I14-A17 PolarHBondContact O-N 3.05Å; I14-F18 HydrophobicContact CG2-CD2 3.64Å; I14-F18 HydrophobicContact CG2-CE2 3.54Å; I14-F18 WeakPolarHBondContact O-CD2 3.34Å; I14-F18 PolarHBondContact O-N 2.92Å
15M66.7Low70.8Confident121 Ų121104.8 Ų104.860%0.59654%0.536SS*.Hα-helixtrans-63.7-43178.6-71.4-164.6-60.700112.1A11 A12 A17 F18 D19A11-M15 WeakPolarHBondContact O-CG 3.32Å; A11-M15 PolarHBondContact O-N 3.21Å; A12-M15 PolarHBondContact O-N 3.26Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 3.17Å; M15-F18 PolarHBondContact O-N 2.76Å; M15-D19 PolarHBondContact O-N 2.88Å
16D66.1Low72.3Confident68 Ų68101.3 Ų101.336%0.36453%0.527SS..Hα-helixtrans-64.5-32.1174.8-17441.1000112A12 R20A12-D16 WeakPolarHBondContact O-CB 3.48Å; A12-D16 PolarHBondContact O-N 2.88Å; D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 VanDerWaalsContact O-CG 3.23Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 3.42Å; D16-R20 VanDerWaalsContact O-N 3.15Å; D16-R20 IonicContact OD1-CZ 3.25Å; D16-R20 VanDerWaalsContact OD1-CZ 3.25Å; D16-R20 IonicContact OD1-NE 2.91Å; D16-R20 PolarHBondContact OD1-NE 2.99Å; D16-R20 IonicContact OD1-NH2 2.91Å; D16-R20 PolarHBondContact OD1-NH2 3.11Å; D16-R20 IonicContact OD2-CZ 3.08Å; D16-R20 IonicContact OD2-NE 3.45Å; D16-R20 PolarHBondContact OD2-NE 3.27Å; D16-R20 IonicContact OD2-NH1 3.72Å; D16-R20 IonicContact OD2-NH2 2.69Å; D16-R20 PolarHBondContact OD2-NH2 3.37Å
17A61.3Low73.8Confident56 Ų5696.2 Ų96.246%0.46351%0.513SS..Hα-helixtrans-70.6-36.7173.100000112.7E13 I14 M15 R20 S21E13-A17 VanDerWaalsContact O-CB 3.27Å; E13-A17 WeakPolarHBondContact O-CB 3.31Å; E13-A17 PolarHBondContact O-N 2.84Å; I14-A17 WeakPolarHBondContact O-CB 3.23Å; I14-A17 PolarHBondContact O-N 3.05Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 3.17Å; A17-R20 PolarHBondContact O-N 3.22Å; A17-S21 PolarHBondContact O-N 2.7Å; A17-S21 VanDerWaalsContact O-N 3.11Å; A17-S21 PolarHBondContact O-OG 2.69Å
18F59.5Low75.4Confident153 Ų15396.4 Ų96.467%0.67151%0.511SS*.Hα-helixtrans-67.8-41.5172.6-85.1-71.8000111.6I14 M15 R20 S21I14-F18 HydrophobicContact CG2-CD2 3.64Å; I14-F18 HydrophobicContact CG2-CE2 3.54Å; I14-F18 WeakPolarHBondContact O-CD2 3.34Å; I14-F18 PolarHBondContact O-N 2.92Å; M15-F18 PolarHBondContact O-N 2.76Å; F18-R20 PolarHBondContact O-N 3.29Å; F18-S21 VanDerWaalsContact O-CB 3.31Å; F18-S21 WeakPolarHBondContact O-CB 3.47Å; F18-S21 PolarHBondContact O-N 2.76Å; F18-S21 VanDerWaalsContact O-N 3.07Å
19D62.9Low76.8Confident142 Ų14296.2 Ų96.276%0.75951%0.514SS*.Hα-helixtrans-66-23.4177.7-73.5-21.8000112.8M15M15-D19 PolarHBondContact O-N 2.88Å
20R68.5Low77.9Confident183 Ų18397.2 Ų97.269%0.69152%0.515SS*.THydrogen-bonded Turntrans-98.92.9174.9-65.3176.8-164.6-173.66.1114D16 A17 F18D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 VanDerWaalsContact O-CG 3.23Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 3.42Å; D16-R20 VanDerWaalsContact O-N 3.15Å; D16-R20 IonicContact OD1-CZ 3.25Å; D16-R20 VanDerWaalsContact OD1-CZ 3.25Å; D16-R20 IonicContact OD1-NE 2.91Å; D16-R20 PolarHBondContact OD1-NE 2.99Å; D16-R20 IonicContact OD1-NH2 2.91Å; D16-R20 PolarHBondContact OD1-NH2 3.11Å; D16-R20 IonicContact OD2-CZ 3.08Å; D16-R20 IonicContact OD2-NE 3.45Å; D16-R20 PolarHBondContact OD2-NE 3.27Å; D16-R20 IonicContact OD2-NH1 3.72Å; D16-R20 IonicContact OD2-NH2 2.69Å; D16-R20 PolarHBondContact OD2-NH2 3.37Å; A17-R20 PolarHBondContact O-N 3.22Å; F18-R20 PolarHBondContact O-N 3.29Å
21S78.9Confident79.2Confident61 Ų6194 Ų9443%0.42751%0.511SS..SBendtrans-68133.7179.4-71.30000109.7A17 F18 T23A17-S21 PolarHBondContact O-N 2.7Å; A17-S21 VanDerWaalsContact O-N 3.11Å; A17-S21 PolarHBondContact O-OG 2.69Å; F18-S21 VanDerWaalsContact O-CB 3.31Å; F18-S21 WeakPolarHBondContact O-CB 3.47Å; F18-S21 PolarHBondContact O-N 2.76Å; F18-S21 VanDerWaalsContact O-N 3.07Å; S21-T23 PolarHBondContact O-N 2.64Å
22P84.8Confident80.3Confident60 Ų6099 Ų9939%0.3953%0.525SS..PPolyproline II helixtrans-62.8137-17927.3-34.8000109.6E26 L27P22-E26 WeakPolarHBondContact CA-OE2 3.43Å; P22-E26 HydrophobicContact CB-CB 4.2Å; P22-L27 HydrophobicContact CB-CD2 4.04Å; P22-L27 HydrophobicContact CB-CG 4.07Å; P22-L27 HydrophobicContact CG-CD1 4.44Å; P22-L27 HydrophobicContact CG-CD2 3.6Å; P22-L27 HydrophobicContact CG-CG 3.96Å
23T92.1Very high81.3Confident76 Ų7697.1 Ų97.147%0.46651%0.51SS..PPolyproline II helixtrans-65.7157.517362.60000110.7S21 K25 E26 L27S21-T23 PolarHBondContact O-N 2.64Å; T23-K25 PolarHBondContact O-N 3.47Å; T23-K25 VanDerWaalsContact O-N 3.1Å; T23-E26 PolarHBondContact N-OE2 3Å; T23-E26 WeakPolarHBondContact O-CA 3.34Å; T23-E26 WeakPolarHBondContact O-CB 3.47Å; T23-E26 PolarHBondContact O-N 3.47Å; T23-E26 VanDerWaalsContact OG1-CG 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.33Å; T23-E26 PolarHBondContact OG1-N 3.05Å; T23-E26 PolarHBondContact OG1-OE2 3.15Å; T23-L27 PolarHBondContact O-N 3.47Å
24D93.3Very high82.5Confident131 Ų13192.5 Ų92.570%0.70149%0.489SS*.Hα-helixtrans-51.6-37.4172.9-67.10.3000112.2L27 V28D24-L27 PolarHBondContact O-N 3.24Å; D24-V28 WeakPolarHBondContact O-CB 3.37Å; D24-V28 WeakPolarHBondContact O-CG2 3.45Å; D24-V28 PolarHBondContact O-N 2.98Å
25K92.3Very high83.8Confident178 Ų17891 Ų9177%0.77449%0.49SS*.Hα-helixtrans-64.4-41.7177.7-69.5-178.5179.8175.50111.9T23 A29T23-K25 PolarHBondContact O-N 3.47Å; T23-K25 VanDerWaalsContact O-N 3.1Å; K25-A29 WeakPolarHBondContact O-CB 3.33Å; K25-A29 PolarHBondContact O-N 3.17Å
26E91.5Very high85Confident96 Ų9688.6 Ų88.645%0.44947%0.474SS..Hα-helixtrans-69-43.3176.9-72165.4142.100111.2P22 T23 V28 A29 Q30P22-E26 WeakPolarHBondContact CA-OE2 3.43Å; P22-E26 HydrophobicContact CB-CB 4.2Å; T23-E26 PolarHBondContact N-OE2 3Å; T23-E26 WeakPolarHBondContact O-CA 3.34Å; T23-E26 WeakPolarHBondContact O-CB 3.47Å; T23-E26 PolarHBondContact O-N 3.47Å; T23-E26 VanDerWaalsContact OG1-CG 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.33Å; T23-E26 PolarHBondContact OG1-N 3.05Å; T23-E26 PolarHBondContact OG1-OE2 3.15Å; E26-V28 PolarHBondContact O-N 3.44Å; E26-A29 PolarHBondContact O-N 3.36Å; E26-Q30 WeakPolarHBondContact O-CB 3.4Å; E26-Q30 VanDerWaalsContact O-CG 3.23Å; E26-Q30 WeakPolarHBondContact O-CG 3.48Å; E26-Q30 PolarHBondContact O-N 3.5Å
27L93.1Very high86.2Confident83 Ų8386.3 Ų86.344%0.43546%0.462SS..Hα-helixtrans-59-46.2175-70.8175.4000111.4P22 T23 D24 A29 Q30 A31P22-L27 HydrophobicContact CB-CD2 4.04Å; P22-L27 HydrophobicContact CB-CG 4.07Å; P22-L27 HydrophobicContact CG-CD1 4.44Å; P22-L27 HydrophobicContact CG-CD2 3.6Å; P22-L27 HydrophobicContact CG-CG 3.96Å; T23-L27 PolarHBondContact O-N 3.47Å; D24-L27 PolarHBondContact O-N 3.24Å; L27-A29 PolarHBondContact O-N 3.3Å; L27-Q30 PolarHBondContact O-N 3.24Å; L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.47Å; L27-A31 PolarHBondContact O-N 3.12Å
28V94.9Very high87.7Confident76 Ų7686.5 Ų86.546%0.46145%0.451SS..Hα-helixtrans-63-41.5176.4169.80000111.3D24 E26 K32D24-V28 WeakPolarHBondContact O-CB 3.37Å; D24-V28 WeakPolarHBondContact O-CG2 3.45Å; D24-V28 PolarHBondContact O-N 2.98Å; E26-V28 PolarHBondContact O-N 3.44Å; V28-K32 HydrophobicContact CG1-CD 4.05Å; V28-K32 WeakPolarHBondContact O-CB 3.34Å; V28-K32 VanDerWaalsContact O-CG 3.25Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.97Å
29A91.8Very high89.3Confident60 Ų6083.3 Ų83.350%0.49644%0.443SS..Hα-helixtrans-64.5-44.5177.700000111.9K25 E26 L27 K32 A33K25-A29 WeakPolarHBondContact O-CB 3.33Å; K25-A29 PolarHBondContact O-N 3.17Å; E26-A29 PolarHBondContact O-N 3.36Å; L27-A29 PolarHBondContact O-N 3.3Å; A29-K32 PolarHBondContact O-N 3.13Å; A29-A33 PolarHBondContact O-N 2.89Å
30Q93Very high90.6Very high81 Ų8178.6 Ų78.638%0.37942%0.417SS..Hα-helixtrans-64.2-46.9176.8-70172.914.200111.4E26 L27 K32 A33 L34 L64E26-Q30 WeakPolarHBondContact O-CB 3.4Å; E26-Q30 VanDerWaalsContact O-CG 3.23Å; E26-Q30 WeakPolarHBondContact O-CG 3.48Å; E26-Q30 PolarHBondContact O-N 3.5Å; L27-Q30 PolarHBondContact O-N 3.24Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.42Å; Q30-A33 WeakPolarHBondContact O-CB 3.31Å; Q30-A33 PolarHBondContact O-N 2.97Å; Q30-A33 VanDerWaalsContact O-N 3.17Å; Q30-L34 WeakPolarHBondContact O-CG 3.24Å; Q30-L34 PolarHBondContact O-N 3.37Å; Q30-L64 HydrophobicContact CB-CD1 3.91Å; Q30-L64 HydrophobicContact CB-CD2 4.49Å; Q30-L64 HydrophobicContact CG-CD1 4.02Å; Q30-L64 HydrophobicContact CG-CD2 4.2Å
31A94.8Very high91.6Very high60 Ų6071.2 Ų71.250%0.49640%0.395SS..Hα-helixtrans-60.3-42.2177.500000112.1L27 L34 G35L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.47Å; L27-A31 PolarHBondContact O-N 3.12Å; A31-L34 PolarHBondContact O-N 3.45Å; A31-G35 PolarHBondContact O-N 2.99Å
32K94.1Very high92.2Very high149 Ų14970.1 Ų70.165%0.64838%0.381SS*.Hα-helixtrans-62.7-41.3174.7-76.9176.3179.1-178.90112.3V28 A29 Q30 R36V28-K32 HydrophobicContact CG1-CD 4.05Å; V28-K32 WeakPolarHBondContact O-CB 3.34Å; V28-K32 VanDerWaalsContact O-CG 3.25Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.97Å; A29-K32 PolarHBondContact O-N 3.13Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.42Å; K32-R36 WeakPolarHBondContact O-CB 3.39Å; K32-R36 PolarHBondContact O-N 2.93Å; K32-R36 VanDerWaalsContact O-N 3.11Å
33A91.8Very high92.5Very high14 Ų1470.9 Ų70.912%0.11638%0.382CS..Hα-helixtrans-63.4-51.5176.400000110.7A29 Q30 G35 R36 E37 L64A29-A33 PolarHBondContact O-N 2.89Å; Q30-A33 WeakPolarHBondContact O-CB 3.31Å; Q30-A33 PolarHBondContact O-N 2.97Å; Q30-A33 VanDerWaalsContact O-N 3.17Å; A33-G35 PolarHBondContact O-N 3.5Å; A33-R36 PolarHBondContact O-N 3.49Å; A33-E37 WeakPolarHBondContact O-CG 3.5Å; A33-E37 PolarHBondContact O-N 2.94Å; A33-L64 HydrophobicContact CB-CD2 4.22Å
34L94.3Very high92.3Very high26 Ų2671.3 Ų71.314%0.13638%0.381CS..Hα-helixtrans-59.5-47.1179.1-67.9170.7000112.4Q30 A31 R36 E37 Y38 L64 V67 C68 L71Q30-L34 WeakPolarHBondContact O-CG 3.24Å; Q30-L34 PolarHBondContact O-N 3.37Å; A31-L34 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.32Å; L34-E37 PolarHBondContact O-N 3.22Å; L34-Y38 WeakPolarHBondContact O-CB 3.38Å; L34-Y38 PolarHBondContact O-N 2.69Å; L34-L64 HydrophobicContact CD1-CD1 3.95Å; L34-L64 HydrophobicContact CD2-CD1 3.94Å; L34-L64 HydrophobicContact CD2-CG 4.44Å; L34-L64 HydrophobicContact CG-CD1 3.87Å; L34-V67 HydrophobicContact CD1-CG1 3.94Å; L34-V67 HydrophobicContact CD2-CG1 4.13Å; L34-C68 HydrophobicContact CD2-CB 3.65Å; L34-L71 HydrophobicContact CB-CD2 4.03Å; L34-L71 HydrophobicContact CD2-CD2 4.47Å
35G94.2Very high92.1Very high36 Ų3671.3 Ų71.337%0.37137%0.371SS..Hα-helixtrans-61.3-40.1178.900000112.8A31 A33 Y38 V39A31-G35 PolarHBondContact O-N 2.99Å; A33-G35 PolarHBondContact O-N 3.5Å; G35-Y38 PolarHBondContact O-N 3.07Å; G35-V39 WeakPolarHBondContact O-CG2 3.35Å; G35-V39 PolarHBondContact O-N 3.37Å
36R92Very high92Very high71 Ų7166 Ų6627%0.26836%0.36SS..Hα-helixtrans-63.7-49.1175.9-177.2-171.665.3-122.82.3111.7K32 A33 L34 Y38 V39 H40 A56K32-R36 WeakPolarHBondContact O-CB 3.39Å; K32-R36 PolarHBondContact O-N 2.93Å; K32-R36 VanDerWaalsContact O-N 3.11Å; A33-R36 PolarHBondContact O-N 3.49Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.32Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 3.2Å; R36-V39 PolarHBondContact O-N 3.19Å; R36-H40 VanDerWaalsContact O-CB 3.3Å; R36-H40 WeakPolarHBondContact O-CB 3.46Å; R36-H40 PolarHBondContact O-N 2.88Å; R36-A56 PolarHBondContact NH2-O 3.17Å
37E91.2Very high91.9Very high21 Ų2164.3 Ų64.310%0.09837%0.369CS..Hα-helixtrans-63.3-38.8178.7-61-53.1126.400111.2A33 L34 H40 A41 S57 P58A33-E37 WeakPolarHBondContact O-CG 3.5Å; A33-E37 PolarHBondContact O-N 2.94Å; L34-E37 PolarHBondContact O-N 3.22Å; E37-H40 PolarHBondContact O-N 3.28Å; E37-A41 WeakPolarHBondContact O-CB 3.43Å; E37-A41 PolarHBondContact O-N 3.06Å; E37-S57 VanDerWaalsContact CD-OG 3.27Å; E37-S57 PolarHBondContact OE2-OG 3.24Å; E37-P58 HydrophobicContact CG-CG 4.31Å
38Y93.6Very high91.5Very high60 Ų6066 Ų6624%0.23538%0.377CS..Hα-helixtrans-60.6-50.2176.9-166.8-86.5000112.1L34 G35 R36 A41 R42 L71 L72 G75L34-Y38 WeakPolarHBondContact O-CB 3.38Å; L34-Y38 PolarHBondContact O-N 2.69Å; G35-Y38 PolarHBondContact O-N 3.07Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 3.2Å; Y38-A41 PolarHBondContact O-N 2.98Å; Y38-R42 HydrophobicContact CD1-CG 4.22Å; Y38-R42 HydrophobicContact CE1-CG 4.05Å; Y38-R42 VanDerWaalsContact O-CG 3.24Å; Y38-R42 WeakPolarHBondContact O-CG 3.49Å; Y38-R42 PolarHBondContact O-N 3.45Å; Y38-R42 VanDerWaalsContact O-N 3.13Å; Y38-R42 PolarHBondContact OH-NH2 3.42Å; Y38-L71 HydrophobicContact CD2-CD2 4.15Å; Y38-L71 HydrophobicContact CD2-CG 3.91Å; Y38-L71 HydrophobicContact CE2-CG 4.3Å; Y38-L72 HydrophobicContact CD2-CD2 3.84Å; Y38-L72 HydrophobicContact CE2-CD2 4.48Å; Y38-L72 HydrophobicContact CG-CD2 4.38Å; Y38-G75 VanDerWaalsContact OH-CA 3.31Å; Y38-G75 WeakPolarHBondContact OH-CA 3.39Å
39V92.4Very high90.5Very high85 Ų8566.1 Ų66.152%0.51538%0.382SS..Hα-helixtrans-63.3-43.6176.7173.30000110.8G35 R36 A41 R42 L43G35-V39 WeakPolarHBondContact O-CG2 3.35Å; G35-V39 PolarHBondContact O-N 3.37Å; R36-V39 PolarHBondContact O-N 3.19Å; V39-A41 PolarHBondContact O-N 2.94Å; V39-R42 PolarHBondContact O-N 3.48Å; V39-L43 HydrophobicContact CG1-CD1 3.91Å; V39-L43 HydrophobicContact CG1-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 3.3Å
40H89.7Confident89.3Confident44 Ų4473.8 Ų73.820%0.20440%0.398CS..Hα-helixtrans-60.5-47.7179.2-175.761.6000112R36 E37 R42 L43 L44R36-H40 VanDerWaalsContact O-CB 3.3Å; R36-H40 WeakPolarHBondContact O-CB 3.46Å; R36-H40 PolarHBondContact O-N 2.88Å; E37-H40 PolarHBondContact O-N 3.28Å; H40-R42 VanDerWaalsContact C-N 3.27Å; H40-R42 PolarHBondContact O-N 2.92Å; H40-L43 PolarHBondContact O-N 3.25Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.3Å; H40-L44 WeakPolarHBondContact O-CG 2.99Å; H40-L44 PolarHBondContact O-N 2.98Å
41A90.7Very high87.6Confident28 Ų2874.5 Ų74.523%0.23141%0.412CS..Hα-helixtrans-59.1-38.3176.700000112.2E37 Y38 V39 R45 L72E37-A41 WeakPolarHBondContact O-CB 3.43Å; E37-A41 PolarHBondContact O-N 3.06Å; Y38-A41 PolarHBondContact O-N 2.98Å; V39-A41 PolarHBondContact O-N 2.94Å; A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 3.04Å; A41-L72 HydrophobicContact CB-CD1 4.44Å; A41-L72 HydrophobicContact CB-CD2 3.59Å
42R91.3Very high85.7Confident38 Ų3875.5 Ų75.514%0.14342%0.42CS..Hα-helixtrans-67.8-40.6176.2-69.3-71.8-176.9-103.914.2112.6Y38 V39 H40 R45 A46 G75 D76 E79Y38-R42 HydrophobicContact CD1-CG 4.22Å; Y38-R42 HydrophobicContact CE1-CG 4.05Å; Y38-R42 VanDerWaalsContact O-CG 3.24Å; Y38-R42 WeakPolarHBondContact O-CG 3.49Å; Y38-R42 PolarHBondContact O-N 3.45Å; Y38-R42 VanDerWaalsContact O-N 3.13Å; Y38-R42 PolarHBondContact OH-NH2 3.42Å; V39-R42 PolarHBondContact O-N 3.48Å; H40-R42 VanDerWaalsContact C-N 3.27Å; H40-R42 PolarHBondContact O-N 2.92Å; R42-R45 PolarHBondContact O-N 3.47Å; R42-A46 WeakPolarHBondContact O-CB 3.26Å; R42-A46 PolarHBondContact O-N 3.3Å; R42-G75 PolarHBondContact NH2-O 3.06Å; R42-D76 IonicContact CZ-OD1 3.07Å; R42-D76 IonicContact NH1-OD1 2.64Å; R42-D76 PolarHBondContact NH1-OD1 3.4Å; R42-D76 VanDerWaalsContact NH2-N 3.18Å; R42-D76 IonicContact NH2-OD1 3.65Å; R42-D76 PolarHBondContact NH2-OD1 3.01Å; R42-E79 IonicContact CZ-OE1 2.76Å; R42-E79 IonicContact NE-OE1 3.55Å; R42-E79 PolarHBondContact NE-OE1 3.17Å; R42-E79 IonicContact NH2-OE1 2.76Å; R42-E79 PolarHBondContact NH2-OE1 3.42Å; R42-E79 IonicContact NH2-OE2 3.62Å
43L90.1Very high84Confident75 Ų7570.6 Ų70.639%0.39340%0.403SS..Hα-helixtrans-66.3-44175.4-69.7172.1000111.8V39 H40 R45 A46 G47 L48V39-L43 HydrophobicContact CG1-CD1 3.91Å; V39-L43 HydrophobicContact CG1-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 3.3Å; H40-L43 PolarHBondContact O-N 3.25Å; L43-R45 VanDerWaalsContact C-N 3.35Å; L43-R45 PolarHBondContact O-N 2.93Å; L43-A46 CarbonylContact O-C 3.58Å; L43-A46 PolarHBondContact O-N 3.42Å; L43-A46 VanDerWaalsContact O-N 3.15Å; L43-G47 PolarHBondContact O-N 3.13Å; L43-L48 HydrophobicContact CD2-CB 4.27Å; L43-L48 HydrophobicContact CD2-CD1 4.23Å; L43-L48 PolarHBondContact O-N 3.44Å
44L89.1Confident82.2Confident85 Ų8579.8 Ų79.845%0.44544%0.444SS..Hα-helixtrans-57.3-47.9173.9-73-179.6000111.2H40 A46 G47 S49H40-L44 WeakPolarHBondContact NE2-CD1 3.3Å; H40-L44 WeakPolarHBondContact O-CG 2.99Å; H40-L44 PolarHBondContact O-N 2.98Å; L44-A46 PolarHBondContact O-N 3.34Å; L44-G47 PolarHBondContact O-N 2.87Å; L44-S49 VanDerWaalsContact CD2-CB 3.48Å
45R88.8Confident80.5Confident132 Ų13287.9 Ų87.950%0.49847%0.473SS..Hα-helixtrans-62.1-31.1177.6-170.1178.868.6-179.32.9112.8A41 R42 L43 G47 D76 E79A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 3.04Å; R42-R45 PolarHBondContact O-N 3.47Å; L43-R45 VanDerWaalsContact C-N 3.35Å; L43-R45 PolarHBondContact O-N 2.93Å; R45-G47 PolarHBondContact O-N 3.32Å; R45-D76 IonicContact CZ-OD1 3.84Å; R45-D76 IonicContact NH1-OD1 2.69Å; R45-D76 PolarHBondContact NH1-OD1 2.92Å; R45-E79 IonicContact CZ-OE2 2.7Å; R45-E79 IonicContact NH1-OE2 2.92Å; R45-E79 IonicContact NH2-OE1 3.2Å; R45-E79 IonicContact NH2-OE2 3.74Å; R45-E79 PolarHBondContact NH2-OE2 3.38Å
46A89.1Confident78.7Confident65 Ų6590.6 Ų90.654%0.53749%0.491SS..THydrogen-bonded Turntrans-80.1-1.2175.400000113.7R42 L43 L44 L48R42-A46 WeakPolarHBondContact O-CB 3.26Å; R42-A46 PolarHBondContact O-N 3.3Å; L43-A46 CarbonylContact O-C 3.58Å; L43-A46 PolarHBondContact O-N 3.42Å; L43-A46 VanDerWaalsContact O-N 3.15Å; L44-A46 PolarHBondContact O-N 3.34Å; A46-L48 VanDerWaalsContact C-N 3.25Å; A46-L48 HydrophobicContact CB-CD1 4.05Å; A46-L48 HydrophobicContact CB-CG 4.09Å; A46-L48 PolarHBondContact O-N 3.25Å
47G89.2Confident77.4Confident62 Ų6290.3 Ų90.364%0.63950%0.501SS*.THydrogen-bonded Turntrans72.815.8-175.900000113.9L43 L44 R45L43-G47 PolarHBondContact O-N 3.13Å; L44-G47 PolarHBondContact O-N 2.87Å; R45-G47 PolarHBondContact O-N 3.32Å
48L86.4Confident76.2Confident118 Ų11890.2 Ų90.262%0.61850%0.502SS*.  trans-99.233.8-176.8-60.7174.8000111.8L43 A46 W50L43-L48 HydrophobicContact CD2-CB 4.27Å; L43-L48 HydrophobicContact CD2-CD1 4.23Å; L43-L48 PolarHBondContact O-N 3.44Å; A46-L48 VanDerWaalsContact C-N 3.25Å; A46-L48 HydrophobicContact CB-CD1 4.05Å; A46-L48 HydrophobicContact CB-CG 4.09Å; A46-L48 PolarHBondContact O-N 3.25Å; L48-W50 PolarHBondContact O-N 3.34Å
49S73Confident75Confident79 Ų7990.8 Ų90.855%0.55252%0.519SS*.PPolyproline II helixtrans-64.4123.7-17465.20000111.8L44L44-S49 VanDerWaalsContact CD2-CB 3.48Å
50W66.5Low73.9Confident221 Ų22193 Ų9384%0.83754%0.535SS*.PPolyproline II helixtrans-94.7163.8160.1-160.1-85.7000109.2L48 A52L48-W50 PolarHBondContact O-N 3.34Å; W50-A52 PolarHBondContact O-N 3.19Å
51S56.7Low73Confident95 Ų9594.6 Ų94.666%0.66456%0.563SS**SBendtrans-47.8140170.247.30000110.7
52A56Low72.8Confident81 Ų8194.7 Ų94.767%0.66957%0.567SS**  trans-43.9148.5-167.600000114.3W50 E54W50-A52 PolarHBondContact O-N 3.19Å; A52-E54 PolarHBondContact O-N 3.39Å
53P57.2Low72.6Confident46 Ų46103 Ų10330%0.29960%0.598SS.*  trans-56127.6177.621.8-31.1000110.6R55P53-R55 PolarHBondContact O-N 2.93Å
54E54.5Low72.6Confident208 Ų208101.7 Ų101.797%0.97259%0.591SS**SBendtrans-61.6-8.2-176.5-136.2175.8-167.100113.9A52A52-E54 PolarHBondContact O-N 3.39Å
55R58.9Low72.6Confident196 Ų19698.5 Ų98.574%0.7458%0.577SS**SBendtrans-115.8138178.5-80-176.7176.4163.90.8111.6P53 S57P53-R55 PolarHBondContact O-N 2.93Å; R55-S57 PolarHBondContact O-N 3.2Å
56A57.2Low72.8Confident92 Ų9298.2 Ų98.276%0.7658%0.581SS**PPolyproline II helixtrans-48.2124.3-179.300000112.1R36R36-A56 PolarHBondContact NH2-O 3.17Å
57S63.1Low73.1Confident66 Ų6698 Ų9846%0.46257%0.573SS.*PPolyproline II helixtrans-54.3155.1161.7-163.40000109E37 R55 A59E37-S57 VanDerWaalsContact CD-OG 3.27Å; E37-S57 PolarHBondContact OE2-OG 3.24Å; R55-S57 PolarHBondContact O-N 3.2Å; S57-A59 PolarHBondContact O-N 2.94Å
58P67.3Low73.3Confident19 Ų1995.6 Ų95.612%0.12355%0.547CS..SBendtrans-47.7136.5175-25.233.7000110.5E37 L64 A65E37-P58 HydrophobicContact CG-CG 4.31Å; P58-L64 HydrophobicContact CB-CB 4.35Å; P58-L64 HydrophobicContact CB-CD2 4.18Å; P58-L64 HydrophobicContact CB-CG 4.18Å; P58-L64 HydrophobicContact CG-CD2 4.24Å; P58-L64 HydrophobicContact CG-CG 4.27Å; P58-A65 HydrophobicContact CB-CB 4.26Å
59A68.6Low73.7Confident72 Ų7294.6 Ų94.660%0.59555%0.546SS*.PPolyproline II helixtrans-53.4127-178.300000109.9S57 G61 G62S57-A59 PolarHBondContact O-N 2.94Å; A59-G61 PolarHBondContact O-N 3.02Å; A59-G62 PolarHBondContact O-N 3.14Å; A59-G62 VanDerWaalsContact O-N 3.12Å
60P68Low74.8Confident132 Ų13294.8 Ų94.886%0.85754%0.543SS*.THydrogen-bonded Turntrans-60.1135.2-176.722.2-31.1000110.2G62P60-G62 VanDerWaalsContact C-N 3.33Å
61G71.8Confident76.2Confident76 Ų7687.4 Ų87.478%0.78452%0.52SS*.THydrogen-bonded Turntrans81.61.7-177.600000115.6A59A59-G61 PolarHBondContact O-N 3.02Å
62G85.2Confident78Confident30 Ų3084.9 Ų84.931%0.30950%0.499SS..SBendtrans-85.1157.9171.400000113.2A59 P60 L64 A65 E66A59-G62 PolarHBondContact O-N 3.14Å; A59-G62 VanDerWaalsContact O-N 3.12Å; P60-G62 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 3.03Å; G62-L64 VanDerWaalsContact O-N 3.14Å; G62-A65 WeakPolarHBondContact O-CA 3.25Å; G62-A65 VanDerWaalsContact O-CB 3.28Å; G62-A65 WeakPolarHBondContact O-CB 3.16Å; G62-A65 PolarHBondContact O-N 3.45Å; G62-E66 PolarHBondContact O-N 2.89Å
63R88.4Confident79.9Confident212 Ų21289 Ų8980%0.850%0.497SS*.Hα-helixtrans-51.1-39176.9-176179.4-179.7116.4-1.6113.6A65 E66 V67R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 3.43Å; R63-E66 WeakPolarHBondContact O-CB 3.33Å; R63-E66 PolarHBondContact O-N 2.86Å; R63-V67 WeakPolarHBondContact O-CG2 3.45Å; R63-V67 PolarHBondContact O-N 3.35Å
64L89.1Confident81.8Confident48 Ų4890.6 Ų90.625%0.25150%0.503SS..Hα-helixtrans-67.1-31.1178.5-171.765.2000112.3Q30 A33 L34 P58 G62 C68Q30-L64 HydrophobicContact CB-CD1 3.91Å; Q30-L64 HydrophobicContact CB-CD2 4.49Å; Q30-L64 HydrophobicContact CG-CD1 4.02Å; Q30-L64 HydrophobicContact CG-CD2 4.2Å; A33-L64 HydrophobicContact CB-CD2 4.22Å; L34-L64 HydrophobicContact CD1-CD1 3.95Å; L34-L64 HydrophobicContact CD2-CD1 3.94Å; L34-L64 HydrophobicContact CD2-CG 4.44Å; L34-L64 HydrophobicContact CG-CD1 3.87Å; P58-L64 HydrophobicContact CB-CB 4.35Å; P58-L64 HydrophobicContact CB-CD2 4.18Å; P58-L64 HydrophobicContact CB-CG 4.18Å; P58-L64 HydrophobicContact CG-CD2 4.24Å; P58-L64 HydrophobicContact CG-CG 4.27Å; G62-L64 PolarHBondContact O-N 3.03Å; G62-L64 VanDerWaalsContact O-N 3.14Å; L64-C68 WeakPolarHBondContact O-CB 3.31Å; L64-C68 PolarHBondContact O-N 3.33Å
65A89.8Confident83.8Confident19 Ų1981 Ų8116%0.15746%0.459CS..Hα-helixtrans-68.5-41174.100000111P58 G62 R63 C68 T69P58-A65 HydrophobicContact CB-CB 4.26Å; G62-A65 WeakPolarHBondContact O-CA 3.25Å; G62-A65 VanDerWaalsContact O-CB 3.28Å; G62-A65 WeakPolarHBondContact O-CB 3.16Å; G62-A65 PolarHBondContact O-N 3.45Å; R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 3.43Å; A65-C68 WeakPolarHBondContact O-CB 3.45Å; A65-C68 PolarHBondContact O-N 3.41Å; A65-T69 PolarHBondContact O-N 3.45Å; A65-T69 PolarHBondContact O-OG1 3.44Å; A65-T69 VanDerWaalsContact O-OG1 3.14Å
66E92.9Very high85.5Confident125 Ų12574.2 Ų74.258%0.58444%0.438SS*.Hα-helixtrans-60.8-46.6173.8-63.4175.717700111.6G62 R63 C68 T69 V70G62-E66 PolarHBondContact O-N 2.89Å; R63-E66 WeakPolarHBondContact O-CB 3.33Å; R63-E66 PolarHBondContact O-N 2.86Å; E66-C68 VanDerWaalsContact C-N 3.28Å; E66-C68 PolarHBondContact O-N 2.86Å; E66-T69 WeakPolarHBondContact O-CB 3.49Å; E66-T69 PolarHBondContact O-N 2.84Å; E66-V70 WeakPolarHBondContact O-CG2 3.49Å; E66-V70 PolarHBondContact O-N 2.88Å
67V94.6Very high87.3Confident60 Ų6073.1 Ų73.136%0.36442%0.417SS..Hα-helixtrans-58.9-41.9174.7172.90000110.8L34 R63 V70 L71L34-V67 HydrophobicContact CD1-CG1 3.94Å; L34-V67 HydrophobicContact CD2-CG1 4.13Å; R63-V67 WeakPolarHBondContact O-CG2 3.45Å; R63-V67 PolarHBondContact O-N 3.35Å; V67-V70 PolarHBondContact O-N 2.91Å; V67-L71 VanDerWaalsContact O-CB 3.31Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 PolarHBondContact O-N 2.84Å
68C93.9Very high88.9Confident12 Ų1273 Ų738%0.08141%0.411CS..Hα-helixtrans-60.4-45.9176.2-168.50000111.7L34 L64 A65 E66 V70 L71 L72L34-C68 HydrophobicContact CD2-CB 3.65Å; L64-C68 WeakPolarHBondContact O-CB 3.31Å; L64-C68 PolarHBondContact O-N 3.33Å; A65-C68 WeakPolarHBondContact O-CB 3.45Å; A65-C68 PolarHBondContact O-N 3.41Å; E66-C68 VanDerWaalsContact C-N 3.28Å; E66-C68 PolarHBondContact O-N 2.86Å; C68-V70 PolarHBondContact O-N 3.39Å; C68-L71 PolarHBondContact O-N 3.21Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.36Å; C68-L72 PolarHBondContact O-N 2.96Å
69T94Very high90.1Very high97 Ų9773 Ų7360%0.59541%0.409SS*.Hα-helixtrans-59.5-45.2176.6-58.10000112A65 E66 R73A65-T69 PolarHBondContact O-N 3.45Å; A65-T69 PolarHBondContact O-OG1 3.44Å; A65-T69 VanDerWaalsContact O-OG1 3.14Å; E66-T69 WeakPolarHBondContact O-CB 3.49Å; E66-T69 PolarHBondContact O-N 2.84Å; T69-R73 WeakPolarHBondContact O-CB 3.36Å; T69-R73 PolarHBondContact O-N 3.36Å; T69-R73 VanDerWaalsContact O-N 3.12Å
70V96.5Very high91.3Very high84 Ų8476.1 Ų76.151%0.50941%0.411SS..Hα-helixtrans-64.1-46177.7174.30000110.9E66 V67 C68 L72 R73 L74E66-V70 WeakPolarHBondContact O-CG2 3.49Å; E66-V70 PolarHBondContact O-N 2.88Å; V67-V70 PolarHBondContact O-N 2.91Å; C68-V70 PolarHBondContact O-N 3.39Å; V70-L72 PolarHBondContact O-N 2.92Å; V70-R73 PolarHBondContact O-N 2.85Å; V70-L74 HydrophobicContact CG1-CD1 3.8Å; V70-L74 HydrophobicContact CG1-CG 4.19Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 3.24Å
71L96.4Very high92.7Very high65 Ų6575.9 Ų75.934%0.3440%0.401SS..Hα-helixtrans-58.4-45.9179.217965.5000111.9L34 Y38 V67 C68 L74 G75L34-L71 HydrophobicContact CB-CD2 4.03Å; L34-L71 HydrophobicContact CD2-CD2 4.47Å; Y38-L71 HydrophobicContact CD2-CD2 4.15Å; Y38-L71 HydrophobicContact CD2-CG 3.91Å; Y38-L71 HydrophobicContact CE2-CG 4.3Å; V67-L71 VanDerWaalsContact O-CB 3.31Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 PolarHBondContact O-N 2.84Å; C68-L71 PolarHBondContact O-N 3.21Å; L71-L74 PolarHBondContact O-N 3.44Å; L71-G75 PolarHBondContact O-N 2.88Å
72L95.4Very high93.8Very high42 Ų4279 Ų7922%0.2239%0.39CS..Hα-helixtrans-61.3-45.5177.8-71.9172.4000111.6Y38 A41 C68 V70 G75 D76Y38-L72 HydrophobicContact CD2-CD2 3.84Å; Y38-L72 HydrophobicContact CE2-CD2 4.48Å; Y38-L72 HydrophobicContact CG-CD2 4.38Å; A41-L72 HydrophobicContact CB-CD1 4.44Å; A41-L72 HydrophobicContact CB-CD2 3.59Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.36Å; C68-L72 PolarHBondContact O-N 2.96Å; V70-L72 PolarHBondContact O-N 2.92Å; L72-G75 PolarHBondContact O-N 3.14Å; L72-D76 PolarHBondContact O-N 3.11Å
73R96.1Very high94.1Very high168 Ų16880.3 Ų80.363%0.63439%0.393SS*.Hα-helixtrans-63.8-47.3179-179.2177.9173.4170.92112.1T69 V70 G75 D76 E77T69-R73 WeakPolarHBondContact O-CB 3.36Å; T69-R73 PolarHBondContact O-N 3.36Å; T69-R73 VanDerWaalsContact O-N 3.12Å; V70-R73 PolarHBondContact O-N 2.85Å; R73-G75 VanDerWaalsContact C-N 3.29Å; R73-G75 PolarHBondContact O-N 3.41Å; R73-D76 WeakPolarHBondContact O-CB 3.33Å; R73-D76 PolarHBondContact O-N 2.87Å; R73-D76 VanDerWaalsContact O-N 3.11Å; R73-E77 WeakPolarHBondContact CG-OE1 3.39Å; R73-E77 IonicContact CZ-OE1 4Å; R73-E77 IonicContact NE-OE1 2.88Å; R73-E77 PolarHBondContact NE-OE1 3.28Å; R73-E77 IonicContact NH2-OE1 3.53Å; R73-E77 WeakPolarHBondContact O-CG 3.43Å; R73-E77 PolarHBondContact O-N 3.44Å
74L96.7Very high94.1Very high80 Ų8074.2 Ų74.242%0.41938%0.383SS..Hα-helixtrans-61-41.2177.2-71.9175.8000111.3V70 L71 D76 E77 L78V70-L74 HydrophobicContact CG1-CD1 3.8Å; V70-L74 HydrophobicContact CG1-CG 4.19Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 3.24Å; L71-L74 PolarHBondContact O-N 3.44Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-D76 PolarHBondContact O-N 3.47Å; L74-E77 PolarHBondContact O-N 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.41Å; L74-L78 PolarHBondContact O-N 2.84Å
75G95.1Very high94.2Very high6 Ų675.6 Ų75.66%0.06239%0.393CS..Hα-helixtrans-58.1-40.1173.900000112.9Y38 R42 L71 L72 R73 E79Y38-G75 VanDerWaalsContact OH-CA 3.31Å; Y38-G75 WeakPolarHBondContact OH-CA 3.39Å; R42-G75 PolarHBondContact NH2-O 3.06Å; L71-G75 PolarHBondContact O-N 2.88Å; L72-G75 PolarHBondContact O-N 3.14Å; R73-G75 VanDerWaalsContact C-N 3.29Å; R73-G75 PolarHBondContact O-N 3.41Å; G75-E79 WeakPolarHBondContact O-CB 3.31Å; G75-E79 WeakPolarHBondContact O-CG 3.48Å; G75-E79 PolarHBondContact O-N 3.3Å; G75-E79 VanDerWaalsContact O-N 3.17Å
76D94.7Very high94.3Very high53 Ų5379.1 Ų79.128%0.28340%0.403SS..Hα-helixtrans-66.3-45.3176.2-71.3-16.1000112.1R42 R45 L72 R73 L74 E79 Q80R42-D76 IonicContact CZ-OD1 3.07Å; R42-D76 IonicContact NH1-OD1 2.64Å; R42-D76 PolarHBondContact NH1-OD1 3.4Å; R42-D76 VanDerWaalsContact NH2-N 3.18Å; R42-D76 IonicContact NH2-OD1 3.65Å; R42-D76 PolarHBondContact NH2-OD1 3.01Å; R45-D76 IonicContact CZ-OD1 3.84Å; R45-D76 IonicContact NH1-OD1 2.69Å; R45-D76 PolarHBondContact NH1-OD1 2.92Å; L72-D76 PolarHBondContact O-N 3.11Å; R73-D76 WeakPolarHBondContact O-CB 3.33Å; R73-D76 PolarHBondContact O-N 2.87Å; R73-D76 VanDerWaalsContact O-N 3.11Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-D76 PolarHBondContact O-N 3.47Å; D76-E79 PolarHBondContact O-N 3.12Å; D76-Q80 VanDerWaalsContact O-CG 3.31Å; D76-Q80 WeakPolarHBondContact O-CG 3.28Å; D76-Q80 PolarHBondContact O-N 2.85Å; D76-Q80 VanDerWaalsContact O-N 3.15Å
77E96.7Very high94.1Very high69 Ų6978.2 Ų78.232%0.32239%0.394SS..Hα-helixtrans-64.3-44179.2-69.5177.6-167.400111.1R73 L74 E79 Q80 I81R73-E77 WeakPolarHBondContact CG-OE1 3.39Å; R73-E77 IonicContact CZ-OE1 4Å; R73-E77 IonicContact NE-OE1 2.88Å; R73-E77 PolarHBondContact NE-OE1 3.28Å; R73-E77 IonicContact NH2-OE1 3.53Å; R73-E77 WeakPolarHBondContact O-CG 3.43Å; R73-E77 PolarHBondContact O-N 3.44Å; L74-E77 PolarHBondContact O-N 3.27Å; E77-E79 PolarHBondContact O-N 2.95Å; E77-Q80 WeakPolarHBondContact O-CB 3.45Å; E77-Q80 PolarHBondContact O-N 3.22Å; E77-Q80 VanDerWaalsContact O-N 3.08Å; E77-I81 VanDerWaalsContact O-CG1 3.24Å; E77-I81 WeakPolarHBondContact O-CG1 3.45Å; E77-I81 PolarHBondContact O-N 3.47Å
78L94.8Very high93.8Very high64 Ų6479.7 Ų79.734%0.33540%0.4SS..Hα-helixtrans-61.3-42.6177.2-72.8175.9000112.5L74 Q80 I81 R82 Y86L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.41Å; L74-L78 PolarHBondContact O-N 2.84Å; L78-Q80 PolarHBondContact O-N 2.91Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-R82 PolarHBondContact O-N 3.47Å; L78-Y86 HydrophobicContact CB-CD1 4.26Å; L78-Y86 HydrophobicContact CB-CD2 3.86Å; L78-Y86 HydrophobicContact CB-CE1 4.21Å; L78-Y86 HydrophobicContact CB-CE2 3.82Å; L78-Y86 HydrophobicContact CB-CG 4.1Å; L78-Y86 HydrophobicContact CD1-CE1 3.95Å; L78-Y86 HydrophobicContact CD2-CE2 3.98Å; L78-Y86 HydrophobicContact CG-CE2 4.34Å; L78-Y86 VanDerWaalsContact O-CD2 3.27Å; L78-Y86 WeakPolarHBondContact O-CD2 3.36Å
79E93.7Very high93.5Very high19 Ų1981.7 Ų81.79%0.08941%0.411CS..Hα-helixtrans-64.6-25.6175.2-78.4178.9-14900113.6R42 R45 G75 D76 E77 P83 R87R42-E79 IonicContact CZ-OE1 2.76Å; R42-E79 IonicContact NE-OE1 3.55Å; R42-E79 PolarHBondContact NE-OE1 3.17Å; R42-E79 IonicContact NH2-OE1 2.76Å; R42-E79 PolarHBondContact NH2-OE1 3.42Å; R42-E79 IonicContact NH2-OE2 3.62Å; R45-E79 IonicContact CZ-OE2 2.7Å; R45-E79 IonicContact NH1-OE2 2.92Å; R45-E79 IonicContact NH2-OE1 3.2Å; R45-E79 IonicContact NH2-OE2 3.74Å; R45-E79 PolarHBondContact NH2-OE2 3.38Å; G75-E79 WeakPolarHBondContact O-CB 3.31Å; G75-E79 WeakPolarHBondContact O-CG 3.48Å; G75-E79 PolarHBondContact O-N 3.3Å; G75-E79 VanDerWaalsContact O-N 3.17Å; D76-E79 PolarHBondContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.95Å; E79-P83 WeakPolarHBondContact O-CA 3.5Å; E79-P83 WeakPolarHBondContact O-CG 3.26Å; E79-R87 HydrophobicContact CB-CG 4.42Å; E79-R87 HydrophobicContact CG-CG 4.21Å; E79-R87 IonicContact OE2-NE 3.74Å
80Q93.4Very high93.3Very high138 Ų13878.5 Ų78.565%0.64540%0.395SS*.Hα-helixtrans-82.7-43.8175.1-70.6174.61400112D76 E77 L78D76-Q80 VanDerWaalsContact O-CG 3.31Å; D76-Q80 WeakPolarHBondContact O-CG 3.28Å; D76-Q80 PolarHBondContact O-N 2.85Å; D76-Q80 VanDerWaalsContact O-N 3.15Å; E77-Q80 WeakPolarHBondContact O-CB 3.45Å; E77-Q80 PolarHBondContact O-N 3.22Å; E77-Q80 VanDerWaalsContact O-N 3.08Å; L78-Q80 PolarHBondContact O-N 2.91Å
81I97.1Very high92.9Very high126 Ų12682.8 Ų82.865%0.64640%0.402SS*.Hα-helixtrans-71.5-43.9-176-63.7166.9000111E77 L78E77-I81 VanDerWaalsContact O-CG1 3.24Å; E77-I81 WeakPolarHBondContact O-CG1 3.45Å; E77-I81 PolarHBondContact O-N 3.47Å; L78-I81 PolarHBondContact O-N 2.99Å
82R94.4Very high92.5Very high142 Ų14284.2 Ų84.254%0.53641%0.407SS..  trans-132.372.5179.7-69.3-167.6-78.1-160-1.7112L78 S84 V85 Y86L78-R82 PolarHBondContact O-N 3.47Å; R82-S84 PolarHBondContact O-N 3.03Å; R82-V85 HydrophobicContact CB-CB 4.24Å; R82-V85 HydrophobicContact CB-CG2 4.15Å; R82-V85 PolarHBondContact O-N 3Å; R82-Y86 HydrophobicContact CB-CD2 4.15Å; R82-Y86 HydrophobicContact CB-CE2 4.21Å; R82-Y86 WeakPolarHBondContact O-CD2 3.23Å; R82-Y86 PolarHBondContact O-N 3.32Å
83P91.4Very high92.1Very high57 Ų5786.8 Ų86.837%0.3742%0.421SS..Hα-helixtrans-58.4-35.2-177.7-21.731.4000113.3E79 V85 R87E79-P83 WeakPolarHBondContact O-CA 3.5Å; E79-P83 WeakPolarHBondContact O-CG 3.26Å; P83-V85 PolarHBondContact O-N 3.05Å; P83-R87 VanDerWaalsContact O-CB 3.32Å; P83-R87 WeakPolarHBondContact O-CB 3.41Å; P83-R87 PolarHBondContact O-N 3.37Å
84S90.4Very high91.9Very high85 Ų8586.8 Ų86.859%0.59443%0.428SS*.Hα-helixtrans-65.3-19.2177.655.70000113.4R82 Q92R82-S84 PolarHBondContact O-N 3.03Å; S84-Q92 PolarHBondContact O-NE2 3.47Å; S84-Q92 PolarHBondContact O-OE1 3.37Å
85V90Very high91.5Very high76 Ų7684.7 Ų84.746%0.46142%0.416SS..Hα-helixtrans-95.5-41.7177.8178.90000110.8R82 P83 V89R82-V85 HydrophobicContact CB-CB 4.24Å; R82-V85 HydrophobicContact CB-CG2 4.15Å; R82-V85 PolarHBondContact O-N 3Å; P83-V85 PolarHBondContact O-N 3.05Å; V85-V89 VanDerWaalsContact O-CG2 3.23Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å
86Y91.2Very high91.2Very high94 Ų9487.8 Ų87.837%0.36944%0.435SS..Hα-helixtrans-100.2-9.8-167.9-65.1-78.7000114.8L78 R82L78-Y86 HydrophobicContact CB-CD1 4.26Å; L78-Y86 HydrophobicContact CB-CD2 3.86Å; L78-Y86 HydrophobicContact CB-CE1 4.21Å; L78-Y86 HydrophobicContact CB-CE2 3.82Å; L78-Y86 HydrophobicContact CB-CG 4.1Å; L78-Y86 HydrophobicContact CD1-CE1 3.95Å; L78-Y86 HydrophobicContact CD2-CE2 3.98Å; L78-Y86 HydrophobicContact CG-CE2 4.34Å; L78-Y86 VanDerWaalsContact O-CD2 3.27Å; L78-Y86 WeakPolarHBondContact O-CD2 3.36Å; R82-Y86 HydrophobicContact CB-CD2 4.15Å; R82-Y86 HydrophobicContact CB-CE2 4.21Å; R82-Y86 WeakPolarHBondContact O-CD2 3.23Å; R82-Y86 PolarHBondContact O-N 3.32Å
87R90.3Very high90.8Very high105 Ų10590.8 Ų90.840%0.39645%0.451SS..SBendtrans-112.2140.7179.9-63-174.6171.9155.11112.5E79 P83 V89 Q92E79-R87 HydrophobicContact CB-CG 4.42Å; E79-R87 HydrophobicContact CG-CG 4.21Å; E79-R87 IonicContact OE2-NE 3.74Å; P83-R87 VanDerWaalsContact O-CB 3.32Å; P83-R87 WeakPolarHBondContact O-CB 3.41Å; P83-R87 PolarHBondContact O-N 3.37Å; R87-V89 PolarHBondContact O-N 3.26Å; R87-Q92 PolarHBondContact O-NE2 2.9Å
88N87.6Confident90.5Very high92 Ų9296.2 Ų96.249%0.49248%0.476SS..SBendtrans57.130.8175.2-54.9-59.1000114.3A90 R91 Q92N88-A90 VanDerWaalsContact C-N 3.26Å; N88-A90 PolarHBondContact O-N 3.49Å; N88-R91 HydrophobicContact CB-CB 4.15Å; N88-R91 WeakPolarHBondContact O-CA 3.25Å; N88-R91 WeakPolarHBondContact O-CB 3.37Å; N88-R91 PolarHBondContact O-N 2.96Å; N88-Q92 WeakPolarHBondContact O-CG 3.45Å; N88-Q92 PolarHBondContact O-N 3.49Å
89V88.4Confident90.5Very high53 Ų5395.7 Ų95.732%0.32148%0.478SS..Hα-helixtrans-52.2-43.7-177.51790000112.1V85 R87 R91 Q92 L93V85-V89 VanDerWaalsContact O-CG2 3.23Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; R87-V89 PolarHBondContact O-N 3.26Å; V89-R91 VanDerWaalsContact C-N 3.25Å; V89-R91 PolarHBondContact O-N 3.09Å; V89-Q92 PolarHBondContact O-N 2.98Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; V89-L93 HydrophobicContact CG1-CD1 3.7Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 3.39Å
90A88.8Confident90.5Very high31 Ų31102.4 Ų102.426%0.25651%0.509SS..Hα-helixtrans-56.8-38.717600000112.9N88 H94 I95 L97N88-A90 VanDerWaalsContact C-N 3.26Å; N88-A90 PolarHBondContact O-N 3.49Å; A90-H94 PolarHBondContact O-N 3.47Å; A90-H94 VanDerWaalsContact O-N 3.16Å; A90-I95 HydrophobicContact CB-CB 4.36Å; A90-I95 PolarHBondContact O-N 3.39Å; A90-L97 HydrophobicContact CB-CD1 4.26Å; A90-L97 HydrophobicContact CB-CD2 4.17Å; A90-L97 HydrophobicContact CB-CG 4.42Å
91R89.3Confident90.6Very high173 Ų17399.7 Ų99.765%0.65350%0.503SS*.Hα-helixtrans-70.9-41.3176.3-168.7-174.8-61.2142.65.5111.5N88 V89 L93 H94N88-R91 HydrophobicContact CB-CB 4.15Å; N88-R91 WeakPolarHBondContact O-CA 3.25Å; N88-R91 WeakPolarHBondContact O-CB 3.37Å; N88-R91 PolarHBondContact O-N 2.96Å; V89-R91 VanDerWaalsContact C-N 3.25Å; V89-R91 PolarHBondContact O-N 3.09Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.23Å; R91-H94 PolarHBondContact O-N 3.11Å
92Q87.5Confident90.3Very high96 Ų9696.3 Ų96.345%0.44949%0.488SS..Hα-helixtrans-65.4-35.7179.8-62.9-177.135.400112.5S84 R87 N88 V89 H94S84-Q92 PolarHBondContact O-NE2 3.47Å; S84-Q92 PolarHBondContact O-OE1 3.37Å; R87-Q92 PolarHBondContact O-NE2 2.9Å; N88-Q92 WeakPolarHBondContact O-CG 3.45Å; N88-Q92 PolarHBondContact O-N 3.49Å; V89-Q92 PolarHBondContact O-N 2.98Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-H94 VanDerWaalsContact C-N 3.32Å
93L87.4Confident90.2Very high96 Ų9692.4 Ų92.450%0.50348%0.48SS..THydrogen-bonded Turntrans-91.35.7178-60.5-178.4000113V89 R91 I95 V110V89-L93 HydrophobicContact CG1-CD1 3.7Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 3.39Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.23Å; L93-I95 HydrophobicContact CB-CD1 3.72Å; L93-I95 HydrophobicContact CB-CG1 3.8Å; L93-I95 HydrophobicContact CD1-CD1 3.9Å; L93-I95 HydrophobicContact CG-CD1 4.44Å; L93-I95 PolarHBondContact O-N 2.83Å; L93-I95 VanDerWaalsContact O-N 3.17Å; L93-V110 HydrophobicContact CD1-CG2 3.78Å
94H90.4Very high90.4Very high168 Ų16892.7 Ų92.778%0.77848%0.481SS*.THydrogen-bonded Turntrans51.236.1-176.9-60.6-77.8000113.9A90 R91 Q92 P96A90-H94 PolarHBondContact O-N 3.47Å; A90-H94 VanDerWaalsContact O-N 3.16Å; R91-H94 PolarHBondContact O-N 3.11Å; Q92-H94 VanDerWaalsContact C-N 3.32Å; H94-P96 WeakPolarHBondContact O-CD 3.47Å
95I89.1Confident90.5Very high36 Ų3693.8 Ų93.819%0.18548%0.48CS..  trans-77.2117.9179.7-62.4163.6000108.9A90 L93 L97 V102 A106A90-I95 HydrophobicContact CB-CB 4.36Å; A90-I95 PolarHBondContact O-N 3.39Å; L93-I95 HydrophobicContact CB-CD1 3.72Å; L93-I95 HydrophobicContact CB-CG1 3.8Å; L93-I95 HydrophobicContact CD1-CD1 3.9Å; L93-I95 HydrophobicContact CG-CD1 4.44Å; L93-I95 PolarHBondContact O-N 2.83Å; L93-I95 VanDerWaalsContact O-N 3.17Å; I95-L97 HydrophobicContact CG2-CD2 4.21Å; I95-L97 PolarHBondContact O-N 3.07Å; I95-V102 HydrophobicContact CG2-CG1 4.48Å; I95-A106 HydrophobicContact CD1-CB 3.76Å; I95-A106 HydrophobicContact CG1-CB 4.05Å; I95-A106 HydrophobicContact CG2-CB 3.75Å
96P88.3Confident90.6Very high70 Ų7091.1 Ų91.146%0.45547%0.467SS..  trans-75.9119.4176.325.5-22.9000110.2H94 Q98 V102H94-P96 WeakPolarHBondContact O-CD 3.47Å; P96-Q98 HydrophobicContact CB-CG 4.5Å; P96-Q98 PolarHBondContact O-N 2.78Å; P96-Q98 VanDerWaalsContact O-N 3.13Å; P96-V102 HydrophobicContact CG-CG1 4.01Å; P96-V102 WeakPolarHBondContact O-CG1 3.49Å
97L87.6Confident90.7Very high116 Ų11693.8 Ų93.861%0.60748%0.48SS*.THydrogen-bonded Turntrans-87.947.1178.4-55.2179.1000111.7A90 I95 V103A90-L97 HydrophobicContact CB-CD1 4.26Å; A90-L97 HydrophobicContact CB-CD2 4.17Å; A90-L97 HydrophobicContact CB-CG 4.42Å; I95-L97 HydrophobicContact CG2-CD2 4.21Å; I95-L97 PolarHBondContact O-N 3.07Å; L97-V103 HydrophobicContact CB-CG2 4.45Å; L97-V103 HydrophobicContact CD2-CG2 3.64Å
98Q90.4Very high91Very high183 Ų18393.9 Ų93.986%0.85549%0.488SS*.THydrogen-bonded Turntrans-102.2-17.5-174.3-64.8-172.8-5.900113.6P96P96-Q98 HydrophobicContact CB-CG 4.5Å; P96-Q98 PolarHBondContact O-N 2.78Å; P96-Q98 VanDerWaalsContact O-N 3.13Å
99S93.3Very high91.2Very high53 Ų5392.6 Ų92.637%0.37149%0.49SS..  trans-145.9145.7179.269.90000111.4V102 V103S99-V102 PolarHBondContact O-N 3.41Å; S99-V102 WeakPolarHBondContact OG-CB 3.27Å; S99-V102 WeakPolarHBondContact OG-CG2 3.44Å; S99-V103 WeakPolarHBondContact O-CG2 3.31Å; S99-V103 PolarHBondContact O-N 3.43Å
100E94.4Very high91.4Very high160 Ų16092.4 Ų92.475%0.74849%0.489SS*.Hα-helixtrans-57.9-42.9178.8178.7-176.2-17500113.5V102 V103 T104E100-V102 VanDerWaalsContact C-N 3.35Å; E100-V102 PolarHBondContact O-N 2.88Å; E100-V103 PolarHBondContact O-N 3.1Å; E100-T104 WeakPolarHBondContact O-CB 3.42Å; E100-T104 PolarHBondContact O-N 2.94Å; E100-T104 PolarHBondContact O-OG1 2.97Å
101P94.5Very high91.6Very high81 Ų8192 Ų9253%0.52649%0.485SS..Hα-helixtrans-61.4-42.5178.8-23.835.2000112.4V103 T104 D105P101-V103 PolarHBondContact O-N 2.91Å; P101-T104 PolarHBondContact O-N 3.21Å; P101-D105 WeakPolarHBondContact O-CB 3.37Å; P101-D105 VanDerWaalsContact O-CG 3.31Å; P101-D105 PolarHBondContact O-N 3.46Å
102V92.1Very high91.9Very high55 Ų5585.9 Ų85.933%0.33348%0.477SS..Hα-helixtrans-63.4-42.4-179.7171.50000111.5I95 P96 S99 E100 T104 A106I95-V102 HydrophobicContact CG2-CG1 4.48Å; P96-V102 HydrophobicContact CG-CG1 4.01Å; P96-V102 WeakPolarHBondContact O-CG1 3.49Å; S99-V102 PolarHBondContact O-N 3.41Å; S99-V102 WeakPolarHBondContact OG-CB 3.27Å; S99-V102 WeakPolarHBondContact OG-CG2 3.44Å; E100-V102 VanDerWaalsContact C-N 3.35Å; E100-V102 PolarHBondContact O-N 2.88Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.2Å; V102-A106 PolarHBondContact O-N 3.25Å
103V92.3Very high92.1Very high60 Ų6088.3 Ų88.336%0.36449%0.488SS..Hα-helixtrans-65.2-41.7176.91790000110.8L97 S99 E100 P101 F107L97-V103 HydrophobicContact CB-CG2 4.45Å; L97-V103 HydrophobicContact CD2-CG2 3.64Å; S99-V103 WeakPolarHBondContact O-CG2 3.31Å; S99-V103 PolarHBondContact O-N 3.43Å; E100-V103 PolarHBondContact O-N 3.1Å; P101-V103 PolarHBondContact O-N 2.91Å; V103-F107 VanDerWaalsContact O-CB 3.25Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.98Å
104T94.5Very high92.3Very high63 Ų6389 Ų8939%0.38749%0.491SS..Hα-helixtrans-64.2-49.6179.8-57.50000111.3E100 P101 V102 A106 F107 L108E100-T104 WeakPolarHBondContact O-CB 3.42Å; E100-T104 PolarHBondContact O-N 2.94Å; E100-T104 PolarHBondContact O-OG1 2.97Å; P101-T104 PolarHBondContact O-N 3.21Å; V102-T104 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.39Å; T104-F107 PolarHBondContact O-N 3.48Å; T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.48Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.35Å; T104-L108 PolarHBondContact O-N 2.9Å
105D93.3Very high92.5Very high108 Ų10886 Ų8658%0.57848%0.476SS*.Hα-helixtrans-62.4-44.5179.7-70.8-16.7000111.3P101 L108 A109P101-D105 WeakPolarHBondContact O-CB 3.37Å; P101-D105 VanDerWaalsContact O-CG 3.31Å; P101-D105 PolarHBondContact O-N 3.46Å; D105-L108 PolarHBondContact O-N 3.14Å; D105-A109 VanDerWaalsContact O-CB 3.3Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 2.98Å
106A92.5Very high92.9Very high21 Ų2188.6 Ų88.617%0.17450%0.497CS..Hα-helixtrans-64.4-41.7177.800000112I95 V102 T104 A109 V110I95-A106 HydrophobicContact CD1-CB 3.76Å; I95-A106 HydrophobicContact CG1-CB 4.05Å; I95-A106 HydrophobicContact CG2-CB 3.75Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.2Å; V102-A106 PolarHBondContact O-N 3.25Å; T104-A106 PolarHBondContact O-N 3.39Å; A106-A109 PolarHBondContact O-N 3.3Å; A106-V110 WeakPolarHBondContact O-CG2 3.26Å; A106-V110 PolarHBondContact O-N 3.48Å
107F93.4Very high93.1Very high150 Ų15090.2 Ų90.266%0.65852%0.516SS*.Hα-helixtrans-61.7-47.2176179.4-94.2000111.5V103 T104 V110 A111V103-F107 VanDerWaalsContact O-CB 3.25Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.98Å; T104-F107 PolarHBondContact O-N 3.48Å; F107-V110 PolarHBondContact O-N 2.98Å; F107-A111 WeakPolarHBondContact O-CB 3.47Å; F107-A111 PolarHBondContact O-N 3.46Å
108L95.2Very high93.5Very high106 Ų10686.6 Ų86.656%0.55551%0.507SS*.Hα-helixtrans-64.7-39.4178.4-69.9175.3000112.1T104 D105 A111 G112T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.48Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.35Å; T104-L108 PolarHBondContact O-N 2.9Å; D105-L108 PolarHBondContact O-N 3.14Å; L108-A111 PolarHBondContact O-N 2.9Å; L108-G112 PolarHBondContact O-N 3.18Å
109A93.3Very high93.7Very high65 Ų6584.8 Ų84.854%0.53750%0.502SS..Hα-helixtrans-63.8-46.1176.600000112D105 A106 G112 H113D105-A109 VanDerWaalsContact O-CB 3.3Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 2.98Å; A106-A109 PolarHBondContact O-N 3.3Å; A109-G112 PolarHBondContact O-N 2.97Å; A109-H113 WeakPolarHBondContact O-CB 3.34Å; A109-H113 PolarHBondContact O-N 2.87Å
110V92.1Very high93.7Very high49 Ų4988 Ų8830%0.29752%0.52SS..Hα-helixtrans-64.2-45177172.30000110.8L93 A106 F107 H113 I114L93-V110 HydrophobicContact CD1-CG2 3.78Å; A106-V110 WeakPolarHBondContact O-CG2 3.26Å; A106-V110 PolarHBondContact O-N 3.48Å; F107-V110 PolarHBondContact O-N 2.98Å; V110-H113 PolarHBondContact O-N 3.38Å; V110-I114 HydrophobicContact CG1-CD1 3.79Å; V110-I114 HydrophobicContact CG1-CG1 4.41Å; V110-I114 WeakPolarHBondContact O-CG1 3.33Å; V110-I114 PolarHBondContact O-N 2.95Å
111A93.6Very high93.5Very high22 Ų2295 Ų9518%0.18254%0.539CS..Hα-helixtrans-59.9-48.4176.500000111.5F107 L108 H113 I114 F115F107-A111 WeakPolarHBondContact O-CB 3.47Å; F107-A111 PolarHBondContact O-N 3.46Å; L108-A111 PolarHBondContact O-N 2.9Å; A111-H113 VanDerWaalsContact C-N 3.25Å; A111-H113 PolarHBondContact O-N 3.17Å; A111-I114 PolarHBondContact O-N 2.89Å; A111-F115 HydrophobicContact CB-CD2 4.32Å; A111-F115 HydrophobicContact CB-CE2 4.13Å; A111-F115 WeakPolarHBondContact O-CD2 3.33Å; A111-F115 WeakPolarHBondContact O-CG 3.36Å; A111-F115 PolarHBondContact O-N 2.69Å
112G94.8Very high93.5Very high46 Ų4695.7 Ų95.747%0.47454%0.54SS..Hα-helixtrans-58.2-37.9176.800000112.6L108 A109 S116L108-G112 PolarHBondContact O-N 3.18Å; A109-G112 PolarHBondContact O-N 2.97Å; G112-S116 WeakPolarHBondContact O-CB 3.18Å; G112-S116 PolarHBondContact O-N 2.91Å; G112-S116 VanDerWaalsContact O-N 3.07Å
113H92.1Very high93.5Very high147 Ų14797.8 Ų97.868%0.68155%0.551SS**Hα-helixtrans-68.4-45.8175.3-168.864.9000112.6A109 V110 A111 F115 S116A109-H113 WeakPolarHBondContact O-CB 3.34Å; A109-H113 PolarHBondContact O-N 2.87Å; V110-H113 PolarHBondContact O-N 3.38Å; A111-H113 VanDerWaalsContact C-N 3.25Å; A111-H113 PolarHBondContact O-N 3.17Å; H113-F115 VanDerWaalsContact C-N 3.29Å; H113-F115 PolarHBondContact O-N 3.45Å; H113-S116 WeakPolarHBondContact O-CB 3.23Å; H113-S116 PolarHBondContact O-N 2.91Å; H113-S116 PolarHBondContact O-OG 3.15Å
114I91.4Very high93.6Very high110 Ų11099.9 Ų99.956%0.56456%0.561SS**Hα-helixtrans-58.2-43.1177.9-70.7168.4000110.9V110 A111V110-I114 HydrophobicContact CG1-CD1 3.79Å; V110-I114 HydrophobicContact CG1-CG1 4.41Å; V110-I114 WeakPolarHBondContact O-CG1 3.33Å; V110-I114 PolarHBondContact O-N 2.95Å; A111-I114 PolarHBondContact O-N 2.89Å
115F95.3Very high93.6Very high105 Ų105102.1 Ų102.146%0.46157%0.571SS.*Hα-helixtrans-86.6-2.2-177.7-58.3-54.8000114.3A111 H113 A117 G118 I119A111-F115 HydrophobicContact CB-CD2 4.32Å; A111-F115 HydrophobicContact CB-CE2 4.13Å; A111-F115 WeakPolarHBondContact O-CD2 3.33Å; A111-F115 WeakPolarHBondContact O-CG 3.36Å; A111-F115 PolarHBondContact O-N 2.69Å; H113-F115 VanDerWaalsContact C-N 3.29Å; H113-F115 PolarHBondContact O-N 3.45Å; F115-A117 PolarHBondContact O-N 3.26Å; F115-G118 PolarHBondContact O-N 2.97Å; F115-I119 HydrophobicContact CB-CG1 4.46Å; F115-I119 HydrophobicContact CD1-CG1 4.05Å; F115-I119 HydrophobicContact CD1-CG2 4.49Å; F115-I119 HydrophobicContact CG-CG1 4.49Å
116S96.1Very high93.6Very high90 Ų90101.7 Ų101.763%0.62957%0.571SS**THydrogen-bonded Turntrans-63.6-27-177.466.60000113.7G112 H113G112-S116 WeakPolarHBondContact O-CB 3.18Å; G112-S116 PolarHBondContact O-N 2.91Å; G112-S116 VanDerWaalsContact O-N 3.07Å; H113-S116 WeakPolarHBondContact O-CB 3.23Å; H113-S116 PolarHBondContact O-N 2.91Å; H113-S116 PolarHBondContact O-OG 3.15Å
117A93.8Very high93.6Very high104 Ų104107.1 Ų107.186%0.8660%0.597SS**THydrogen-bonded Turntrans-95.67.6177.400000113.4F115F115-A117 PolarHBondContact O-N 3.26Å
118G95.3Very high93.7Very high41 Ų41104 Ų10442%0.42359%0.593SS.*  trans114.5173.9-174.800000112.9F115F115-G118 PolarHBondContact O-N 2.97Å
119I94.6Very high93.5Very high144 Ų144103.8 Ų103.874%0.73860%0.596SS**  trans-109.7128.3-177.3-57.6171.2000108.7F115F115-I119 HydrophobicContact CB-CG1 4.46Å; F115-I119 HydrophobicContact CD1-CG1 4.05Å; F115-I119 HydrophobicContact CD1-CG2 4.49Å; F115-I119 HydrophobicContact CG-CG1 4.49Å
120T94Very high93.6Very high122 Ų122107.1 Ų107.175%0.74860%0.601SS**  trans-119.6166.7170.370.60000110.2
121W89.7Confident93.7Very high305 Ų305112.4 Ų112.4100%1.15563%0.629SS**  trans-65.90160.2-71.1107.2000111.4

Retrieved 121 of 121 residues in 74.8 ms (Link to these results)