A0A077ZJS4_TRITR Loading...

TspO MBR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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
1M48.2Very low74.6Confident239 Ų239110.3 Ų110.3100%1.17752%0.522SS*.  01180-168.1169.116600105.9D3M1-D3 PolarHBondContact O-N 3.33Å
2W56.3Low75.8Confident197 Ų197103.3 Ų103.375%0.74649%0.491SS*.  trans-67.2123.2-176.3-67.669000108.3F4 L7W2-F4 PolarHBondContact O-N 3.17Å; W2-F4 VanDerWaalsContact O-N 3.17Å; W2-L7 HydrophobicContact CE3-CD1 3.9Å; W2-L7 HydrophobicContact CE3-CD2 4.03Å; W2-L7 HydrophobicContact CE3-CG 4.27Å; W2-L7 HydrophobicContact CZ3-CD2 4.06Å
3D67.1Low77Confident86 Ų86101.6 Ų101.646%0.4649%0.486SS..  trans-75.6103.4171.7-174.9-5.1000107.8M1 K5 Q6M1-D3 PolarHBondContact O-N 3.33Å; D3-K5 PolarHBondContact O-N 3.15Å; D3-K5 WeakPolarHBondContact OD1-CB 3.48Å; D3-K5 PolarHBondContact OD1-N 3.37Å; D3-K5 VanDerWaalsContact OD1-N 3.15Å; D3-Q6 HydrophobicContact CB-CB 4.46Å; D3-Q6 HydrophobicContact CB-CG 4.01Å; D3-Q6 WeakPolarHBondContact O-CB 3.4Å; D3-Q6 PolarHBondContact O-N 2.92Å
4F72Confident78.1Confident132 Ų132110.4 Ų110.458%0.57951%0.512SS*.THydrogen-bonded Turntrans-57-23.4-177.6-69.8-67.1000112.7W2 L7 G8 I9W2-F4 PolarHBondContact O-N 3.17Å; W2-F4 VanDerWaalsContact O-N 3.17Å; F4-L7 HydrophobicContact CD1-CD1 4.34Å; F4-L7 PolarHBondContact O-N 3.16Å; F4-G8 PolarHBondContact O-N 3.34Å; F4-I9 HydrophobicContact CB-CB 4.41Å; F4-I9 HydrophobicContact CB-CD1 4.07Å; F4-I9 HydrophobicContact CB-CG1 4.42Å; F4-I9 HydrophobicContact CD1-CD1 3.42Å; F4-I9 VanDerWaalsContact CD1-CD1 3.42Å; F4-I9 HydrophobicContact CD1-CG1 4.47Å; F4-I9 HydrophobicContact CE1-CD1 4.18Å; F4-I9 HydrophobicContact CG-CD1 4.09Å; F4-I9 PolarHBondContact O-N 2.87Å; F4-I9 VanDerWaalsContact O-N 3.16Å
5K70.2Confident79Confident140 Ų140111.9 Ų111.961%0.60953%0.525SS*.THydrogen-bonded Turntrans-66.9-36.1172.2-74.2-167.1172.1-1680112.3D3 L7 G8 E11D3-K5 PolarHBondContact O-N 3.15Å; D3-K5 WeakPolarHBondContact OD1-CB 3.48Å; D3-K5 PolarHBondContact OD1-N 3.37Å; D3-K5 VanDerWaalsContact OD1-N 3.15Å; K5-L7 VanDerWaalsContact C-N 3.25Å; K5-L7 PolarHBondContact O-N 3.4Å; K5-G8 PolarHBondContact O-N 3.06Å; K5-E11 WeakPolarHBondContact CE-OE1 3.49Å; K5-E11 IonicContact NZ-OE1 2.92Å; K5-E11 PolarHBondContact NZ-OE1 3.02Å
6Q79.3Confident79.9Confident147 Ų147106.8 Ų106.869%0.68750%0.501SS*.THydrogen-bonded Turntrans-68.9-25.2176.8-66.7-173.22.600113.2D3D3-Q6 HydrophobicContact CB-CB 4.46Å; D3-Q6 HydrophobicContact CB-CG 4.01Å; D3-Q6 WeakPolarHBondContact O-CB 3.4Å; D3-Q6 PolarHBondContact O-N 2.92Å
7L82.1Confident80.6Confident30 Ų30108.1 Ų108.116%0.15750%0.5CS..THydrogen-bonded Turntrans-79.2-10.7172.6-67.8174.3000112.5W2 F4 K5 I9 R149 A150 I153W2-L7 HydrophobicContact CE3-CD1 3.9Å; W2-L7 HydrophobicContact CE3-CD2 4.03Å; W2-L7 HydrophobicContact CE3-CG 4.27Å; W2-L7 HydrophobicContact CZ3-CD2 4.06Å; F4-L7 HydrophobicContact CD1-CD1 4.34Å; F4-L7 PolarHBondContact O-N 3.16Å; K5-L7 VanDerWaalsContact C-N 3.25Å; K5-L7 PolarHBondContact O-N 3.4Å; L7-I9 HydrophobicContact CB-CG1 4.44Å; L7-R149 WeakPolarHBondContact O-CB 3.3Å; L7-A150 HydrophobicContact CB-CB 4.21Å; L7-A150 WeakPolarHBondContact O-CB 3.5Å; L7-A150 PolarHBondContact O-N 2.86Å; L7-I153 HydrophobicContact CD2-CD1 3.94Å
8G83.8Confident81.3Confident23 Ų23104.3 Ų104.324%0.23750%0.495CS..THydrogen-bonded Turntrans8020.7-177.700000113.7F4 K5 P10 N148F4-G8 PolarHBondContact O-N 3.34Å; K5-G8 PolarHBondContact O-N 3.06Å; G8-P10 WeakPolarHBondContact O-CD 3.46Å; G8-N148 PolarHBondContact O-ND2 2.69Å
9I88.1Confident82Confident45 Ų45103.7 Ų103.723%0.23150%0.495CS..PPolyproline II helixtrans-64.5120.7173.3-58.5-169.9000108.2F4 L7 F84 A150F4-I9 HydrophobicContact CB-CB 4.41Å; F4-I9 HydrophobicContact CB-CD1 4.07Å; F4-I9 HydrophobicContact CB-CG1 4.42Å; F4-I9 HydrophobicContact CD1-CD1 3.42Å; F4-I9 VanDerWaalsContact CD1-CD1 3.42Å; F4-I9 HydrophobicContact CD1-CG1 4.47Å; F4-I9 HydrophobicContact CE1-CD1 4.18Å; F4-I9 HydrophobicContact CG-CD1 4.09Å; F4-I9 PolarHBondContact O-N 2.87Å; F4-I9 VanDerWaalsContact O-N 3.16Å; L7-I9 HydrophobicContact CB-CG1 4.44Å; I9-F84 HydrophobicContact CB-CE2 4.48Å; I9-F84 HydrophobicContact CD1-CE2 4.37Å; I9-F84 HydrophobicContact CG1-CE2 4.08Å; I9-F84 HydrophobicContact CG2-CE2 4.03Å; I9-F84 HydrophobicContact CG2-CZ 3.99Å; I9-A150 HydrophobicContact CD1-CB 4.44Å; I9-A150 HydrophobicContact CG1-CB 3.63Å
10P85.8Confident82.6Confident28 Ų2899.1 Ų99.118%0.18247%0.473CS..PPolyproline II helixtrans-67.8157.218028.1-33.7000110.9G8 L12 F84 K87G8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-L12 HydrophobicContact CG-CD2 4.12Å; P10-L12 HydrophobicContact CG-CG 4.25Å; P10-L12 PolarHBondContact O-N 2.81Å; P10-F84 HydrophobicContact CG-CB 4.43Å; P10-F84 HydrophobicContact CG-CD1 3.86Å; P10-F84 HydrophobicContact CG-CE1 4.47Å; P10-F84 HydrophobicContact CG-CG 4.2Å; P10-K87 HydrophobicContact CB-CB 4.22Å; P10-K87 HydrophobicContact CB-CD 4.05Å; P10-K87 HydrophobicContact CG-CB 4.26Å
11E88.1Confident83.1Confident146 Ų14696.9 Ų96.968%0.68247%0.471SS*.PPolyproline II helixtrans-68.6126.5166.5-74.5179.4-171.500108.9K5 K87K5-E11 WeakPolarHBondContact CE-OE1 3.49Å; K5-E11 IonicContact NZ-OE1 2.92Å; K5-E11 PolarHBondContact NZ-OE1 3.02Å; E11-K87 PolarHBondContact O-NZ 3.41Å
12L88.5Confident85.3Confident27 Ų2791.4 Ų91.414%0.14145%0.446CS..  trans-123.6131.4-172.4-67.1167.1000110.1P10 E16 W17 I20 Y83 F84P10-L12 HydrophobicContact CG-CD2 4.12Å; P10-L12 HydrophobicContact CG-CG 4.25Å; P10-L12 PolarHBondContact O-N 2.81Å; L12-E16 WeakPolarHBondContact CA-OE2 3.21Å; L12-E16 HydrophobicContact CB-CB 4.41Å; L12-E16 HydrophobicContact CD2-CB 3.96Å; L12-W17 HydrophobicContact CB-CD2 4.43Å; L12-W17 HydrophobicContact CB-CG 4.38Å; L12-W17 HydrophobicContact CB-CZ2 4.42Å; L12-W17 HydrophobicContact CD1-CD2 4.1Å; L12-W17 HydrophobicContact CD1-CE3 4.4Å; L12-W17 HydrophobicContact CD1-CH2 3.87Å; L12-W17 HydrophobicContact CD1-CZ2 3.52Å; L12-W17 HydrophobicContact CD1-CZ3 4.29Å; L12-I20 HydrophobicContact CD1-CD1 4.12Å; L12-Y83 HydrophobicContact CD2-CD1 3.84Å; L12-Y83 HydrophobicContact CD2-CE1 3.38Å; L12-F84 HydrophobicContact CD1-CD1 4.38Å; L12-F84 HydrophobicContact CD1-CE1 3.58Å; L12-F84 HydrophobicContact CD1-CZ 4.23Å
13D92Very high87.1Confident81 Ų8184.4 Ų84.443%0.43343%0.425SS..  trans-79.5174.1171.87739000111.9N15 E16 W17D13-N15 VanDerWaalsContact C-N 3.29Å; D13-N15 PolarHBondContact O-N 3.39Å; D13-N15 WeakPolarHBondContact OD1-CA 3.38Å; D13-N15 VanDerWaalsContact OD1-CB 3.3Å; D13-N15 WeakPolarHBondContact OD1-CB 3.37Å; D13-N15 PolarHBondContact OD1-N 2.84Å; D13-E16 PolarHBondContact N-OE2 3.38Å; D13-E16 PolarHBondContact O-N 3.09Å; D13-E16 WeakPolarHBondContact OD1-CG 3.32Å; D13-E16 PolarHBondContact OD1-N 2.82Å; D13-W17 VanDerWaalsContact O-CD1 3.28Å; D13-W17 PolarHBondContact O-N 2.99Å; D13-W17 VanDerWaalsContact O-N 3.09Å
14R91.3Very high88.3Confident225 Ų22581.6 Ų81.685%0.84941%0.412SS*.Hα-helixtrans-64.1-33.1-177.4-164.6179.6-167.5-174.93.9112.9G18R14-G18 PolarHBondContact O-N 3.07Å
15N92.9Very high89.3Confident132 Ų13280 Ų8071%0.70641%0.413SS*.Hα-helixtrans-74-40.3180-63.8-25.4000110.5D13 G18 L19D13-N15 VanDerWaalsContact C-N 3.29Å; D13-N15 PolarHBondContact O-N 3.39Å; D13-N15 WeakPolarHBondContact OD1-CA 3.38Å; D13-N15 VanDerWaalsContact OD1-CB 3.3Å; D13-N15 WeakPolarHBondContact OD1-CB 3.37Å; D13-N15 PolarHBondContact OD1-N 2.84Å; N15-G18 PolarHBondContact O-N 3.29Å; N15-L19 PolarHBondContact O-N 3.44Å
16E92Very high90.4Very high30 Ų3075.9 Ų75.914%0.1441%0.405CS..Hα-helixtrans-62.1-45.5175.9-63.8175.2137.400110.7L12 D13 G18 L19 I20 Y83 K87L12-E16 WeakPolarHBondContact CA-OE2 3.21Å; L12-E16 HydrophobicContact CB-CB 4.41Å; L12-E16 HydrophobicContact CD2-CB 3.96Å; D13-E16 PolarHBondContact N-OE2 3.38Å; D13-E16 PolarHBondContact O-N 3.09Å; D13-E16 WeakPolarHBondContact OD1-CG 3.32Å; D13-E16 PolarHBondContact OD1-N 2.82Å; E16-G18 VanDerWaalsContact C-N 3.34Å; E16-G18 PolarHBondContact O-N 3.27Å; E16-L19 PolarHBondContact O-N 2.65Å; E16-I20 WeakPolarHBondContact O-CG1 3.33Å; E16-I20 PolarHBondContact O-N 3.09Å; E16-Y83 HydrophobicContact CB-CE1 4.28Å; E16-Y83 VanDerWaalsContact CD-OH 3.25Å; E16-Y83 HydrophobicContact CG-CE1 4.45Å; E16-Y83 VanDerWaalsContact CG-OH 3.26Å; E16-Y83 WeakPolarHBondContact CG-OH 3.34Å; E16-Y83 PolarHBondContact OE1-OH 3.19Å; E16-K87 WeakPolarHBondContact OE1-CE 3.46Å; E16-K87 IonicContact OE1-NZ 2.82Å; E16-K87 PolarHBondContact OE1-NZ 3.42Å; E16-K87 IonicContact OE2-NZ 3.09Å; E16-K87 PolarHBondContact OE2-NZ 3.42Å; E16-K87 VanDerWaalsContact OE2-NZ 3.09Å
17W92.5Very high90.9Very high129 Ų12971.3 Ų71.349%0.48939%0.387SS..Hα-helixtrans-60.1-41.9171.7-81.8116.8000112.8L12 D13 L19 I20 A21 F84L12-W17 HydrophobicContact CB-CD2 4.43Å; L12-W17 HydrophobicContact CB-CG 4.38Å; L12-W17 HydrophobicContact CB-CZ2 4.42Å; L12-W17 HydrophobicContact CD1-CD2 4.1Å; L12-W17 HydrophobicContact CD1-CE3 4.4Å; L12-W17 HydrophobicContact CD1-CH2 3.87Å; L12-W17 HydrophobicContact CD1-CZ2 3.52Å; L12-W17 HydrophobicContact CD1-CZ3 4.29Å; D13-W17 VanDerWaalsContact O-CD1 3.28Å; D13-W17 PolarHBondContact O-N 2.99Å; D13-W17 VanDerWaalsContact O-N 3.09Å; W17-L19 VanDerWaalsContact C-N 3.35Å; W17-L19 PolarHBondContact O-N 3.38Å; W17-I20 HydrophobicContact CE3-CD1 4.46Å; W17-I20 PolarHBondContact O-N 2.76Å; W17-A21 WeakPolarHBondContact O-CB 3.29Å; W17-A21 PolarHBondContact O-N 2.85Å; W17-F84 HydrophobicContact CH2-CZ 4.42Å
18G93.8Very high91.3Very high40 Ų4071.3 Ų71.341%0.41239%0.389SS..Hα-helixtrans-60.6-42.8176.200000112.6R14 N15 E16 A21 L22R14-G18 PolarHBondContact O-N 3.07Å; N15-G18 PolarHBondContact O-N 3.29Å; E16-G18 VanDerWaalsContact C-N 3.34Å; E16-G18 PolarHBondContact O-N 3.27Å; G18-A21 PolarHBondContact O-N 3.45Å; G18-L22 WeakPolarHBondContact O-CB 3.02Å; G18-L22 PolarHBondContact O-N 3.32Å
19L93.2Very high91.7Very high94 Ų9471.7 Ų71.749%0.49239%0.393SS..Hα-helixtrans-66.3-43.9177.8-177.263.8000111.9N15 E16 W17 A21 L22 T23N15-L19 PolarHBondContact O-N 3.44Å; E16-L19 PolarHBondContact O-N 2.65Å; W17-L19 VanDerWaalsContact C-N 3.35Å; W17-L19 PolarHBondContact O-N 3.38Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.28Å; L19-L22 PolarHBondContact O-N 3.48Å; L19-T23 HydrophobicContact CD1-CG2 4.23Å; L19-T23 WeakPolarHBondContact O-CB 3.29Å; L19-T23 WeakPolarHBondContact O-CG2 3.3Å; L19-T23 PolarHBondContact O-N 3.08Å; L19-T23 PolarHBondContact O-OG1 3.46Å
20I94Very high91.8Very high10 Ų1072.7 Ų72.75%0.05140%0.404CS..Hα-helixtrans-59.6-45.3175.1-69.3167.4000110.3L12 E16 W17 L22 T23 T24 A80 Y83 F84L12-I20 HydrophobicContact CD1-CD1 4.12Å; E16-I20 WeakPolarHBondContact O-CG1 3.33Å; E16-I20 PolarHBondContact O-N 3.09Å; W17-I20 HydrophobicContact CE3-CD1 4.46Å; W17-I20 PolarHBondContact O-N 2.76Å; I20-L22 PolarHBondContact O-N 3.01Å; I20-T23 WeakPolarHBondContact CA-OG1 3.31Å; I20-T23 PolarHBondContact O-OG1 3.09Å; I20-T24 VanDerWaalsContact O-CB 3.23Å; I20-T24 WeakPolarHBondContact O-CB 3.49Å; I20-T24 PolarHBondContact O-N 2.74Å; I20-T24 PolarHBondContact O-OG1 3.24Å; I20-A80 HydrophobicContact CG2-CB 3.74Å; I20-Y83 HydrophobicContact CD1-CD1 3.8Å; I20-Y83 HydrophobicContact CD1-CE1 4.49Å; I20-Y83 HydrophobicContact CD1-CG 4.08Å; I20-Y83 HydrophobicContact CG1-CD1 4.36Å; I20-Y83 HydrophobicContact CG1-CG 4.16Å; I20-F84 HydrophobicContact CD1-CE1 4.09Å
21A93.5Very high92Very high53 Ų5372.2 Ų72.244%0.43840%0.4SS..Hα-helixtrans-63.8-42.1178.800000112.2W17 G18 L19 T24 T25W17-A21 WeakPolarHBondContact O-CB 3.29Å; W17-A21 PolarHBondContact O-N 2.85Å; G18-A21 PolarHBondContact O-N 3.45Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.28Å; A21-T24 PolarHBondContact O-N 2.89Å; A21-T25 WeakPolarHBondContact O-CB 3.38Å; A21-T25 PolarHBondContact O-N 3.28Å; A21-T25 PolarHBondContact O-OG1 3.27Å
22L94.9Very high92.1Very high124 Ų12467.2 Ų67.265%0.64938%0.384SS*.Hα-helixtrans-67.6-44.6-179.5-168.8127.2000111.8G18 L19 I20 T25 A26G18-L22 WeakPolarHBondContact O-CB 3.02Å; G18-L22 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 3.48Å; I20-L22 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-N 2.94Å; L22-A26 PolarHBondContact O-N 2.9Å
23T93.2Very high92.3Very high50 Ų5072.3 Ų72.331%0.30741%0.411SS..Hα-helixtrans-66-39.3176.150.80000111.8L19 I20 T25 A26 V27 P79L19-T23 HydrophobicContact CD1-CG2 4.23Å; L19-T23 WeakPolarHBondContact O-CB 3.29Å; L19-T23 WeakPolarHBondContact O-CG2 3.3Å; L19-T23 PolarHBondContact O-N 3.08Å; L19-T23 PolarHBondContact O-OG1 3.46Å; I20-T23 WeakPolarHBondContact CA-OG1 3.31Å; I20-T23 PolarHBondContact O-OG1 3.09Å; T23-T25 VanDerWaalsContact C-N 3.35Å; T23-T25 PolarHBondContact O-N 3.08Å; T23-A26 WeakPolarHBondContact O-CB 3.28Å; T23-A26 PolarHBondContact O-N 3.33Å; T23-V27 WeakPolarHBondContact O-CG2 3.47Å; T23-V27 PolarHBondContact O-N 3.06Å; T23-P79 WeakPolarHBondContact OG1-CB 3.33Å
24T93.3Very high92.3Very high28 Ų2872.1 Ų72.117%0.17241%0.41CS..Hα-helixtrans-59.3-45.8172.2-60.60000111.6I20 A21 A26 V27 C28 A76I20-T24 VanDerWaalsContact O-CB 3.23Å; I20-T24 WeakPolarHBondContact O-CB 3.49Å; I20-T24 PolarHBondContact O-N 2.74Å; I20-T24 PolarHBondContact O-OG1 3.24Å; A21-T24 PolarHBondContact O-N 2.89Å; T24-A26 VanDerWaalsContact C-N 3.32Å; T24-A26 PolarHBondContact O-N 3.28Å; T24-V27 PolarHBondContact O-N 3.4Å; T24-C28 WeakPolarHBondContact O-CB 3.26Å; T24-C28 PolarHBondContact O-N 3.38Å; T24-C28 PolarHBondContact O-SG 3.08Å; T24-A76 HydrophobicContact CG2-CB 3.97Å; T24-A76 VanDerWaalsContact CG2-O 3.27Å; T24-A76 WeakPolarHBondContact CG2-O 3.3Å; T24-A76 PolarHBondContact OG1-O 3.32Å
25T92.6Very high92.4Very high98 Ų9863.3 Ų63.360%0.60138%0.376SS*.Hα-helixtrans-62.4-40.5176.9-56.50000111.2A21 L22 T23 G29A21-T25 WeakPolarHBondContact O-CB 3.38Å; A21-T25 PolarHBondContact O-N 3.28Å; A21-T25 PolarHBondContact O-OG1 3.27Å; L22-T25 PolarHBondContact O-N 2.94Å; T23-T25 VanDerWaalsContact C-N 3.35Å; T23-T25 PolarHBondContact O-N 3.08Å; T25-G29 WeakPolarHBondContact O-CA 3.5Å; T25-G29 PolarHBondContact O-N 2.86Å
26A92.8Very high92.4Very high54 Ų5458.4 Ų58.445%0.44636%0.357SS..Hα-helixtrans-63-43.817700000112.3L22 T23 T24 S30L22-A26 PolarHBondContact O-N 2.9Å; T23-A26 WeakPolarHBondContact O-CB 3.28Å; T23-A26 PolarHBondContact O-N 3.33Å; T24-A26 VanDerWaalsContact C-N 3.32Å; T24-A26 PolarHBondContact O-N 3.28Å; A26-S30 WeakPolarHBondContact O-CB 3.23Å; A26-S30 PolarHBondContact O-N 3.26Å; A26-S30 PolarHBondContact O-OG 2.81Å
27V89.9Confident92.4Very high51 Ų5163.4 Ų63.431%0.30938%0.375SS..Hα-helixtrans-64.6-48.8177.6171.90000111.3T23 T24 G29 S30 T31 F75 P79T23-V27 WeakPolarHBondContact O-CG2 3.47Å; T23-V27 PolarHBondContact O-N 3.06Å; T24-V27 PolarHBondContact O-N 3.4Å; V27-G29 PolarHBondContact O-N 3.48Å; V27-S30 PolarHBondContact O-N 3.19Å; V27-T31 PolarHBondContact O-N 2.96Å; V27-T31 VanDerWaalsContact O-N 3.14Å; V27-T31 PolarHBondContact O-OG1 3.44Å; V27-F75 HydrophobicContact CG1-CB 3.64Å; V27-P79 HydrophobicContact CG2-CG 4.12Å
28C91.8Very high92.5Very high29 Ų2958.1 Ų58.120%0.19636%0.355CS..Hα-helixtrans-64.1-42.3178.4-62.10000111.5T24 T31 A32 S72T24-C28 WeakPolarHBondContact O-CB 3.26Å; T24-C28 PolarHBondContact O-N 3.38Å; T24-C28 PolarHBondContact O-SG 3.08Å; C28-T31 WeakPolarHBondContact O-CB 3.46Å; C28-T31 PolarHBondContact O-N 3.38Å; C28-A32 PolarHBondContact O-N 3.48Å; C28-S72 PolarHBondContact SG-O 3.38Å; C28-S72 VanDerWaalsContact SG-O 3.41Å
29G91.2Very high92.3Very high32 Ų3258.4 Ų58.433%0.3335%0.346SS..Hα-helixtrans-63.8-42.1178.700000112.6T25 V27 T31 A32 L33T25-G29 WeakPolarHBondContact O-CA 3.5Å; T25-G29 PolarHBondContact O-N 2.86Å; V27-G29 PolarHBondContact O-N 3.48Å; G29-T31 VanDerWaalsContact C-N 3.3Å; G29-T31 PolarHBondContact O-N 3.42Å; G29-A32 PolarHBondContact O-N 3.18Å; G29-L33 WeakPolarHBondContact O-CG 3.49Å; G29-L33 PolarHBondContact O-N 2.99Å
30S90.6Very high92.4Very high66 Ų6662.1 Ų62.146%0.46236%0.358SS..Hα-helixtrans-61.6-40.7175.6-58.80000111.5A26 V27 L33 L34A26-S30 WeakPolarHBondContact O-CB 3.23Å; A26-S30 PolarHBondContact O-N 3.26Å; A26-S30 PolarHBondContact O-OG 2.81Å; V27-S30 PolarHBondContact O-N 3.19Å; S30-L33 PolarHBondContact O-N 3.49Å; S30-L34 WeakPolarHBondContact O-CG 3.46Å; S30-L34 PolarHBondContact O-N 2.94Å
31T90Very high92.3Very high17 Ų1764.9 Ų64.910%0.10438%0.378CS..Hα-helixtrans-62.9-45.4175.6-550000111.4V27 C28 G29 L33 L34 W35 D71 F75V27-T31 PolarHBondContact O-N 2.96Å; V27-T31 VanDerWaalsContact O-N 3.14Å; V27-T31 PolarHBondContact O-OG1 3.44Å; C28-T31 WeakPolarHBondContact O-CB 3.46Å; C28-T31 PolarHBondContact O-N 3.38Å; G29-T31 VanDerWaalsContact C-N 3.3Å; G29-T31 PolarHBondContact O-N 3.42Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 3.49Å; T31-L34 PolarHBondContact O-N 3.28Å; T31-W35 PolarHBondContact O-N 2.86Å; T31-D71 HydrophobicContact CG2-CB 3.78Å; T31-F75 HydrophobicContact CG2-CD2 4.37Å; T31-F75 HydrophobicContact CG2-CE2 4.46Å
32A90.6Very high92.3Very high41 Ų4162.9 Ų62.934%0.33936%0.361SS..Hα-helixtrans-62.3-38.5175.600000112.6C28 G29 W35 G36C28-A32 PolarHBondContact O-N 3.48Å; G29-A32 PolarHBondContact O-N 3.18Å; A32-W35 PolarHBondContact O-N 3.16Å; A32-G36 PolarHBondContact O-N 3.03Å
33L92.7Very high92.3Very high135 Ų13563 Ų6371%0.70736%0.356SS*.Hα-helixtrans-64.8-42.9175-72.7172.4000112G29 S30 T31 G36 Y37G29-L33 WeakPolarHBondContact O-CG 3.49Å; G29-L33 PolarHBondContact O-N 2.99Å; S30-L33 PolarHBondContact O-N 3.49Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 3.49Å; L33-G36 CarbonylContact O-C 3.6Å; L33-G36 PolarHBondContact O-N 2.98Å; L33-Y37 PolarHBondContact O-N 3.34Å
34L92.2Very high92.3Very high77 Ų7764.3 Ų64.340%0.40337%0.367SS..Hα-helixtrans-61.4-43.6175.2-76.2169.7000111.7S30 T31 G36 Y37 Y38 V114 M118S30-L34 WeakPolarHBondContact O-CG 3.46Å; S30-L34 PolarHBondContact O-N 2.94Å; T31-L34 PolarHBondContact O-N 3.28Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 3.03Å; L34-Y37 PolarHBondContact O-N 3.41Å; L34-Y38 WeakPolarHBondContact O-CB 3.36Å; L34-Y38 PolarHBondContact O-N 3.07Å; L34-V114 HydrophobicContact CD1-CG2 4.46Å; L34-V114 HydrophobicContact CD2-CG1 4.21Å; L34-M118 HydrophobicContact CB-CE 4.21Å; L34-M118 HydrophobicContact CD2-CE 3.81Å
35W92.3Very high92.3Very high40 Ų4063.4 Ų63.415%0.15236%0.361CS..Hα-helixtrans-64.2-37.6173.3-86.9103.5000112.7T31 A32 Y38 K39 T64 M68 D71T31-W35 PolarHBondContact O-N 2.86Å; A32-W35 PolarHBondContact O-N 3.16Å; W35-Y38 AromaticContact CE3-CD1 3.68Å; W35-Y38 HydrophobicContact CE3-CD1 3.68Å; W35-Y38 HydrophobicContact CE3-CE1 4.29Å; W35-Y38 HydrophobicContact CE3-CG 4.45Å; W35-Y38 AromaticContact CZ3-CD1 3.58Å; W35-Y38 HydrophobicContact CZ3-CD1 3.58Å; W35-Y38 AromaticContact CZ3-CE1 3.73Å; W35-Y38 HydrophobicContact CZ3-CE1 3.73Å; W35-Y38 PolarHBondContact O-N 2.83Å; W35-K39 WeakPolarHBondContact O-CB 3.16Å; W35-K39 WeakPolarHBondContact O-CG 3.47Å; W35-K39 PolarHBondContact O-N 3.04Å; W35-T64 HydrophobicContact CE3-CG2 3.78Å; W35-T64 HydrophobicContact CH2-CG2 4.35Å; W35-T64 HydrophobicContact CZ3-CG2 3.41Å; W35-T64 VanDerWaalsContact CZ3-CG2 3.41Å; W35-M68 HydrophobicContact CB-CB 4.18Å; W35-M68 HydrophobicContact CB-CG 3.61Å; W35-M68 HydrophobicContact CB-SD 3.77Å; W35-M68 HydrophobicContact CD2-CB 3.86Å; W35-M68 HydrophobicContact CD2-CG 4.25Å; W35-M68 HydrophobicContact CG-CB 3.7Å; W35-M68 HydrophobicContact CG-CG 3.54Å; W35-M68 HydrophobicContact CG-SD 4.33Å; W35-D71 WeakPolarHBondContact CZ2-OD2 3.48Å; W35-D71 PolarHBondContact NE1-OD2 3.1Å
36G92.8Very high92.3Very high29 Ų2960.1 Ų60.130%0.29934%0.339SS..Hα-helixtrans-61.2-44.4172.900000112.1A32 L33 L34 K40A32-G36 PolarHBondContact O-N 3.03Å; L33-G36 CarbonylContact O-C 3.6Å; L33-G36 PolarHBondContact O-N 2.98Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 3.03Å; G36-K40 WeakPolarHBondContact O-CB 3.2Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 3.26Å; G36-K40 VanDerWaalsContact O-N 3.11Å
37Y93.3Very high92.4Very high134 Ų13464.1 Ų64.153%0.52535%0.346SS..Hα-helixtrans-63.1-49173.7179.5-95000111.2L33 L34 K39 K40 S41 M118L33-Y37 PolarHBondContact O-N 3.34Å; L34-Y37 PolarHBondContact O-N 3.41Å; Y37-K39 VanDerWaalsContact C-N 3.34Å; Y37-K39 PolarHBondContact O-N 3.26Å; Y37-K40 PolarHBondContact O-N 3.29Å; Y37-K40 VanDerWaalsContact O-N 3.14Å; Y37-S41 VanDerWaalsContact CE2-OG 3.31Å; Y37-S41 WeakPolarHBondContact CE2-OG 3.43Å; Y37-S41 WeakPolarHBondContact O-CB 3.42Å; Y37-S41 PolarHBondContact O-N 2.87Å; Y37-S41 PolarHBondContact O-OG 3.38Å; Y37-M118 HydrophobicContact CD1-CE 3.97Å; Y37-M118 HydrophobicContact CD1-SD 3.85Å; Y37-M118 HydrophobicContact CE1-SD 4Å
38Y92.9Very high92.6Very high18 Ų1863.2 Ų63.27%0.07134%0.337CS..Hα-helixtrans-53.7-50.5176.6173.8-106.5000111.4L34 W35 K40 C42 H45 Q46 T64 M118L34-Y38 WeakPolarHBondContact O-CB 3.36Å; L34-Y38 PolarHBondContact O-N 3.07Å; W35-Y38 AromaticContact CE3-CD1 3.68Å; W35-Y38 HydrophobicContact CE3-CD1 3.68Å; W35-Y38 HydrophobicContact CE3-CE1 4.29Å; W35-Y38 HydrophobicContact CE3-CG 4.45Å; W35-Y38 AromaticContact CZ3-CD1 3.58Å; W35-Y38 HydrophobicContact CZ3-CD1 3.58Å; W35-Y38 AromaticContact CZ3-CE1 3.73Å; W35-Y38 HydrophobicContact CZ3-CE1 3.73Å; W35-Y38 PolarHBondContact O-N 2.83Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.2Å; Y38-C42 HydrophobicContact CD2-CB 3.44Å; Y38-C42 VanDerWaalsContact CD2-CB 3.44Å; Y38-C42 HydrophobicContact CE2-CB 3.74Å; Y38-C42 HydrophobicContact CG-CB 4.29Å; Y38-C42 WeakPolarHBondContact O-CA 3.39Å; Y38-C42 VanDerWaalsContact O-CB 3.3Å; Y38-C42 WeakPolarHBondContact O-CB 2.92Å; Y38-C42 PolarHBondContact O-N 3.24Å; Y38-H45 HydrophobicContact CE2-CB 4.44Å; Y38-H45 AromaticContact CE2-ND1 3.38Å; Y38-H45 WeakPolarHBondContact CE2-ND1 3.35Å; Y38-H45 AromaticContact CZ-ND1 3.59Å; Y38-H45 PolarHBondContact OH-ND1 2.84Å; Y38-Q46 HydrophobicContact CD1-CG 4.19Å; Y38-Q46 HydrophobicContact CE1-CG 3.42Å; Y38-Q46 VanDerWaalsContact CE1-CG 3.42Å; Y38-Q46 HydrophobicContact CE2-CG 4.14Å; Y38-Q46 PolarHBondContact O-NE2 3.4Å; Y38-Q46 WeakPolarHBondContact OH-CG 3.26Å; Y38-T64 HydrophobicContact CE1-CG2 4.39Å; Y38-M118 HydrophobicContact CD2-CG 4.11Å
39K91.3Very high92.7Very high47 Ų4762.9 Ų62.920%0.20433%0.332CS..Hα-helixtrans-59.9-39.1179.6-78.4177.8-175.1170.40112.4W35 Y37 K43 Q46 T64 N65W35-K39 WeakPolarHBondContact O-CB 3.16Å; W35-K39 WeakPolarHBondContact O-CG 3.47Å; W35-K39 PolarHBondContact O-N 3.04Å; Y37-K39 VanDerWaalsContact C-N 3.34Å; Y37-K39 PolarHBondContact O-N 3.26Å; K39-K43 WeakPolarHBondContact O-CE 3.27Å; K39-K43 PolarHBondContact O-NZ 3.43Å; K39-Q46 VanDerWaalsContact CA-NE2 3.33Å; K39-Q46 PolarHBondContact O-NE2 3.22Å; K39-T64 HydrophobicContact CD-CG2 4.45Å; K39-T64 HydrophobicContact CG-CG2 4.24Å; K39-N65 PolarHBondContact NZ-OD1 3.21Å
40K93.4Very high92.8Very high172 Ų17265.8 Ų65.875%0.74834%0.34SS*.Hα-helixtrans-80.3-45.6-178.1-72.8179.9178.4-177.90112.7G36 Y37 Y38G36-K40 WeakPolarHBondContact O-CB 3.2Å; G36-K40 WeakPolarHBondContact O-CG 3.47Å; G36-K40 PolarHBondContact O-N 3.26Å; G36-K40 VanDerWaalsContact O-N 3.11Å; Y37-K40 PolarHBondContact O-N 3.29Å; Y37-K40 VanDerWaalsContact O-N 3.14Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.2Å
41S93.7Very high93Very high68 Ų6868.5 Ų68.548%0.47635%0.345SS..Hα-helixtrans-100.9-29.7-165.3-52.70000113.7Y37 K43Y37-S41 VanDerWaalsContact CE2-OG 3.31Å; Y37-S41 WeakPolarHBondContact CE2-OG 3.43Å; Y37-S41 WeakPolarHBondContact O-CB 3.42Å; Y37-S41 PolarHBondContact O-N 2.87Å; Y37-S41 PolarHBondContact O-OG 3.38Å; S41-K43 PolarHBondContact O-N 3.49Å
42C93.1Very high93.2Very high11 Ų1169.2 Ų69.27%0.07435%0.347CS..  trans-99.143.3-171.1-55.50000112.7Y38 S44 H45 Q46Y38-C42 HydrophobicContact CD2-CB 3.44Å; Y38-C42 VanDerWaalsContact CD2-CB 3.44Å; Y38-C42 HydrophobicContact CE2-CB 3.74Å; Y38-C42 HydrophobicContact CG-CB 4.29Å; Y38-C42 WeakPolarHBondContact O-CA 3.39Å; Y38-C42 VanDerWaalsContact O-CB 3.3Å; Y38-C42 WeakPolarHBondContact O-CB 2.92Å; Y38-C42 PolarHBondContact O-N 3.24Å; C42-S44 VanDerWaalsContact C-N 3.33Å; C42-S44 PolarHBondContact O-N 3.11Å; C42-H45 HydrophobicContact CB-CB 4.4Å; C42-H45 PolarHBondContact O-N 3.25Å; C42-Q46 WeakPolarHBondContact O-CG 3.44Å; C42-Q46 PolarHBondContact O-N 3.43Å; C42-Q46 PolarHBondContact O-NE2 2.87Å
43K93.4Very high93.3Very high125 Ų12574 Ų7454%0.54336%0.36SS..Hα-helixtrans-60.9-38-174.7-64.8-61.6-170-173.10113.6K39 S41 Q46 K47K39-K43 WeakPolarHBondContact O-CE 3.27Å; K39-K43 PolarHBondContact O-NZ 3.43Å; S41-K43 PolarHBondContact O-N 3.49Å; K43-Q46 PolarHBondContact O-N 3.46Å; K43-K47 PolarHBondContact O-N 3.48Å
44S93.6Very high93.4Very high78 Ų7869.9 Ų69.955%0.54534%0.337SS..Hα-helixtrans-63.3-43178.1-178.10000111.9C42 W48 K121C42-S44 VanDerWaalsContact C-N 3.33Å; C42-S44 PolarHBondContact O-N 3.11Å; S44-W48 PolarHBondContact O-N 2.8Å; S44-W48 VanDerWaalsContact O-N 3.12Å; S44-K121 PolarHBondContact OG-NZ 3.43Å
45H93.7Very high93.5Very high10 Ų1066.9 Ų66.95%0.04632%0.322CS..Hα-helixtrans-67.8-44.7175.6-179.1-84.2000111.4Y38 C42 K47 W48 W49 Y117 M118 S120Y38-H45 HydrophobicContact CE2-CB 4.44Å; Y38-H45 AromaticContact CE2-ND1 3.38Å; Y38-H45 WeakPolarHBondContact CE2-ND1 3.35Å; Y38-H45 AromaticContact CZ-ND1 3.59Å; Y38-H45 PolarHBondContact OH-ND1 2.84Å; C42-H45 HydrophobicContact CB-CB 4.4Å; C42-H45 PolarHBondContact O-N 3.25Å; H45-K47 VanDerWaalsContact C-N 3.3Å; H45-K47 PolarHBondContact O-N 3.21Å; H45-W48 AromaticContact NE2-CE3 3.87Å; H45-W48 AromaticContact NE2-CZ3 3.7Å; H45-W48 PolarHBondContact O-N 3.31Å; H45-W49 WeakPolarHBondContact O-CB 3.4Å; H45-W49 PolarHBondContact O-N 3.23Å; H45-Y117 PolarHBondContact CE1-O 3.36Å; H45-Y117 PolarHBondContact ND1-O 2.84Å; H45-Y117 PolarHBondContact NE2-O 2.97Å; H45-M118 VanDerWaalsContact CB-O 3.23Å; H45-M118 WeakPolarHBondContact CB-O 3.4Å; H45-S120 PolarHBondContact CD2-O 3.42Å; H45-S120 PolarHBondContact NE2-O 3.48Å
46Q93.2Very high93.6Very high28 Ų2870.5 Ų70.513%0.13135%0.353CS..Hα-helixtrans-55.6-45.3176.3-76.9171.570.500112.4Y38 K39 C42 K43 W49 N50Y38-Q46 HydrophobicContact CD1-CG 4.19Å; Y38-Q46 HydrophobicContact CE1-CG 3.42Å; Y38-Q46 VanDerWaalsContact CE1-CG 3.42Å; Y38-Q46 HydrophobicContact CE2-CG 4.14Å; Y38-Q46 PolarHBondContact O-NE2 3.4Å; Y38-Q46 WeakPolarHBondContact OH-CG 3.26Å; K39-Q46 VanDerWaalsContact CA-NE2 3.33Å; K39-Q46 PolarHBondContact O-NE2 3.22Å; C42-Q46 WeakPolarHBondContact O-CG 3.44Å; C42-Q46 PolarHBondContact O-N 3.43Å; C42-Q46 PolarHBondContact O-NE2 2.87Å; K43-Q46 PolarHBondContact O-N 3.46Å; Q46-W49 PolarHBondContact O-N 3.23Å; Q46-N50 WeakPolarHBondContact O-CB 3.24Å; Q46-N50 PolarHBondContact O-N 3.3Å; Q46-N50 PolarHBondContact O-ND2 3.39Å
47K94.3Very high93.6Very high138 Ų13875.1 Ų75.160%0.636%0.362SS*.Hα-helixtrans-61.1-50.7177.2-177.5175.8173.5-179.40111K43 H45 W49 N50 E51K43-K47 PolarHBondContact O-N 3.48Å; H45-K47 VanDerWaalsContact C-N 3.3Å; H45-K47 PolarHBondContact O-N 3.21Å; K47-W49 PolarHBondContact O-N 3.42Å; K47-N50 PolarHBondContact O-N 3.19Å; K47-E51 WeakPolarHBondContact CE-OE1 3.47Å; K47-E51 WeakPolarHBondContact CG-OE1 3.35Å; K47-E51 WeakPolarHBondContact O-CG 3.39Å; K47-E51 PolarHBondContact O-N 2.98Å
48W95.3Very high93.7Very high33 Ų3368.8 Ų68.813%0.12534%0.337CS..Hα-helixtrans-57.4-46.3177.4168.482.5000112.4S44 H45 N50 E51 Q52 S120 K121 L123 L126S44-W48 PolarHBondContact O-N 2.8Å; S44-W48 VanDerWaalsContact O-N 3.12Å; H45-W48 AromaticContact NE2-CE3 3.87Å; H45-W48 AromaticContact NE2-CZ3 3.7Å; H45-W48 PolarHBondContact O-N 3.31Å; W48-N50 VanDerWaalsContact C-N 3.33Å; W48-N50 PolarHBondContact O-N 2.92Å; W48-E51 PolarHBondContact O-N 3.12Å; W48-Q52 HydrophobicContact CH2-CG 4.37Å; W48-Q52 HydrophobicContact CZ2-CG 4.04Å; W48-Q52 VanDerWaalsContact NE1-NE2 3.2Å; W48-Q52 WeakPolarHBondContact O-CG 3.48Å; W48-Q52 PolarHBondContact O-N 2.69Å; W48-Q52 PolarHBondContact O-NE2 3.01Å; W48-S120 WeakPolarHBondContact CZ3-O 3.35Å; W48-K121 HydrophobicContact CB-CD 4.11Å; W48-K121 HydrophobicContact CB-CG 4.27Å; W48-K121 HydrophobicContact CD2-CB 3.83Å; W48-K121 HydrophobicContact CD2-CD 4.41Å; W48-K121 HydrophobicContact CD2-CG 3.77Å; W48-K121 HydrophobicContact CE3-CB 4.4Å; W48-K121 HydrophobicContact CE3-CG 4.19Å; W48-K121 HydrophobicContact CG-CB 4.08Å; W48-K121 HydrophobicContact CG-CD 3.87Å; W48-K121 HydrophobicContact CG-CG 3.75Å; W48-K121 HydrophobicContact CZ2-CB 4.17Å; W48-K121 WeakPolarHBondContact CZ2-O 3.48Å; W48-L123 HydrophobicContact CH2-CD2 3.87Å; W48-L123 HydrophobicContact CH2-CG 4.18Å; W48-L123 HydrophobicContact CZ2-CD2 4.27Å; W48-L123 HydrophobicContact CZ2-CG 4.15Å; W48-L126 HydrophobicContact CH2-CD1 3.61Å; W48-L126 HydrophobicContact CZ3-CD1 3.73Å
49W93.9Very high93.7Very high22 Ų2275.3 Ų75.38%0.08336%0.362CS..Hα-helixtrans-60-44.6178.1174.2-109.2000110.9H45 Q46 K47 E51 Q52 K54 L61 L123 I169H45-W49 WeakPolarHBondContact O-CB 3.4Å; H45-W49 PolarHBondContact O-N 3.23Å; Q46-W49 PolarHBondContact O-N 3.23Å; K47-W49 PolarHBondContact O-N 3.42Å; W49-E51 VanDerWaalsContact C-N 3.28Å; W49-E51 PolarHBondContact O-N 2.98Å; W49-Q52 WeakPolarHBondContact O-CB 3.4Å; W49-Q52 PolarHBondContact O-N 2.92Å; W49-K54 HydrophobicContact CZ2-CD 4.23Å; W49-K54 WeakPolarHBondContact O-CE 3.45Å; W49-K54 PolarHBondContact O-NZ 3.3Å; W49-L61 HydrophobicContact CH2-CD2 4.08Å; W49-L61 HydrophobicContact CZ2-CD2 3.97Å; W49-L61 HydrophobicContact CZ2-CG 3.96Å; W49-L123 HydrophobicContact CZ3-CD2 4.18Å; W49-I169 HydrophobicContact CH2-CG1 3.92Å; W49-I169 HydrophobicContact CZ3-CG1 4.33Å
50N92.8Very high93.9Very high93 Ų9375.1 Ų75.150%0.49736%0.363SS..Hα-helixtrans-65.3-31.5-179.8-71.3-18.3000112.8Q46 K47 W48 Q52 K54Q46-N50 WeakPolarHBondContact O-CB 3.24Å; Q46-N50 PolarHBondContact O-N 3.3Å; Q46-N50 PolarHBondContact O-ND2 3.39Å; K47-N50 PolarHBondContact O-N 3.19Å; W48-N50 VanDerWaalsContact C-N 3.33Å; W48-N50 PolarHBondContact O-N 2.92Å; N50-Q52 VanDerWaalsContact C-N 3.33Å; N50-K54 PolarHBondContact O-NZ 3.4Å
51E94.1Very high93.9Very high122 Ų12268 Ų6857%0.5733%0.332SS*.Hα-helixtrans-73.6-20.2177.1-71.9167.6176.200113.6K47 W48 W49K47-E51 WeakPolarHBondContact CE-OE1 3.47Å; K47-E51 WeakPolarHBondContact CG-OE1 3.35Å; K47-E51 WeakPolarHBondContact O-CG 3.39Å; K47-E51 PolarHBondContact O-N 2.98Å; W48-E51 PolarHBondContact O-N 3.12Å; W49-E51 VanDerWaalsContact C-N 3.28Å; W49-E51 PolarHBondContact O-N 2.98Å
52Q94Very high93.8Very high32 Ų3266.6 Ų66.615%0.1532%0.323CS..SBendtrans-66139.9177.6-57.6-45.4-62.700111.5W48 W49 N50 K54 L123W48-Q52 HydrophobicContact CH2-CG 4.37Å; W48-Q52 HydrophobicContact CZ2-CG 4.04Å; W48-Q52 VanDerWaalsContact NE1-NE2 3.2Å; W48-Q52 WeakPolarHBondContact O-CG 3.48Å; W48-Q52 PolarHBondContact O-N 2.69Å; W48-Q52 PolarHBondContact O-NE2 3.01Å; W49-Q52 WeakPolarHBondContact O-CB 3.4Å; W49-Q52 PolarHBondContact O-N 2.92Å; N50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-K54 PolarHBondContact O-NZ 3.47Å; Q52-L123 HydrophobicContact CG-CD2 4.49Å
53K93.9Very high93.7Very high142 Ų14269.6 Ų69.662%0.61734%0.338SS*.  trans-67.1134.5166.5-63.8179.2-179.2175.50109.1I175 N176K53-I175 HydrophobicContact CB-CG2 3.57Å; K53-I175 HydrophobicContact CD-CG2 3.94Å; K53-I175 HydrophobicContact CG-CG2 4.42Å; K53-N176 WeakPolarHBondContact CB-OD1 3.34Å; K53-N176 PolarHBondContact N-ND2 2.8Å; K53-N176 PolarHBondContact N-OD1 3.5Å; K53-N176 PolarHBondContact O-ND2 2.79Å
54K93.4Very high93.5Very high49 Ų4965.1 Ų65.121%0.21332%0.321CS..  trans-124.7147.9-177-57.2177.3-170.364.20109.6W49 N50 Q52 S62W49-K54 HydrophobicContact CZ2-CD 4.23Å; W49-K54 WeakPolarHBondContact O-CE 3.45Å; W49-K54 PolarHBondContact O-NZ 3.3Å; N50-K54 PolarHBondContact O-NZ 3.4Å; Q52-K54 PolarHBondContact O-NZ 3.47Å; K54-S62 WeakPolarHBondContact CD-OG 3.4Å
55P94.6Very high93.4Very high13 Ų1366.4 Ų66.48%0.08432%0.322CS..  trans-61.3145.3172.325.1-32000110.5W57 G58 V168 I175P55-W57 HydrophobicContact CB-CD2 4.12Å; P55-W57 HydrophobicContact CB-CG 4.32Å; P55-W57 HydrophobicContact CB-CZ2 3.94Å; P55-W57 HydrophobicContact CG-CD2 4.32Å; P55-W57 HydrophobicContact CG-CH2 4.27Å; P55-W57 HydrophobicContact CG-CZ2 3.83Å; P55-W57 PolarHBondContact O-N 2.92Å; P55-G58 WeakPolarHBondContact O-CA 3.47Å; P55-G58 PolarHBondContact O-N 2.95Å; P55-V168 HydrophobicContact CG-CG1 4.17Å; P55-I175 HydrophobicContact CB-CD1 4.21Å
56S94Very high93.4Very high117 Ų11767.7 Ų67.782%0.81833%0.33SS*.G310 helixtrans-60.1-33.1-177.854.20000113.3G58S56-G58 VanDerWaalsContact C-N 3.25Å; S56-G58 PolarHBondContact O-N 3.47Å
57W94Very high93.4Very high126 Ų12666.3 Ų66.348%0.47732%0.324SS..G310 helixtrans-76.3-10.6175.556.6-99.2000113.3P55 W59 Y164 L167 V168P55-W57 HydrophobicContact CB-CD2 4.12Å; P55-W57 HydrophobicContact CB-CG 4.32Å; P55-W57 HydrophobicContact CB-CZ2 3.94Å; P55-W57 HydrophobicContact CG-CD2 4.32Å; P55-W57 HydrophobicContact CG-CH2 4.27Å; P55-W57 HydrophobicContact CG-CZ2 3.83Å; P55-W57 PolarHBondContact O-N 2.92Å; W57-W59 PolarHBondContact O-N 2.93Å; W57-Y164 AromaticContact CE3-CE2 4Å; W57-Y164 HydrophobicContact CE3-CE2 4Å; W57-Y164 HydrophobicContact CZ3-CD2 4.39Å; W57-Y164 HydrophobicContact CZ3-CE2 4.06Å; W57-Y164 PolarHBondContact O-OH 3.33Å; W57-L167 VanDerWaalsContact CH2-C 3.45Å; W57-L167 HydrophobicContact CH2-CB 3.75Å; W57-L167 WeakPolarHBondContact CH2-O 3.37Å; W57-L167 HydrophobicContact CZ3-CB 4.22Å; W57-V168 HydrophobicContact CE3-CG2 3.97Å; W57-V168 HydrophobicContact CH2-CB 4.43Å; W57-V168 HydrophobicContact CH2-CG2 3.94Å; W57-V168 HydrophobicContact CZ3-CB 4.26Å; W57-V168 HydrophobicContact CZ3-CG2 3.31Å
58G94.9Very high93.2Very high0 Ų062.4 Ų62.40%031%0.308CS..G310 helixtrans-8117.7-179.100000115.4P55 S56 L60 L61 S62 Y164P55-G58 WeakPolarHBondContact O-CA 3.47Å; P55-G58 PolarHBondContact O-N 2.95Å; S56-G58 VanDerWaalsContact C-N 3.25Å; S56-G58 PolarHBondContact O-N 3.47Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.26Å; G58-L61 PolarHBondContact O-N 3.4Å; G58-S62 PolarHBondContact O-N 3.25Å; G58-S62 PolarHBondContact O-OG 3.46Å; G58-Y164 VanDerWaalsContact CA-OH 3.26Å; G58-Y164 WeakPolarHBondContact CA-OH 3.49Å
59W94.1Very high93.2Very high156 Ų15665.6 Ų65.659%0.59133%0.328SS*.Hα-helixtrans-65.1-31.9-169.769.8-88.1000113.7W57 L61 S62 N63W57-W59 PolarHBondContact O-N 2.93Å; W59-L61 VanDerWaalsContact C-N 3.29Å; W59-L61 PolarHBondContact O-N 2.72Å; W59-S62 PolarHBondContact O-N 2.91Å; W59-S62 VanDerWaalsContact O-N 3.15Å; W59-N63 PolarHBondContact O-N 3.45Å; W59-N63 VanDerWaalsContact O-N 3.12Å
60L95.2Very high93.2Very high43 Ų4366.8 Ų66.823%0.22534%0.335CS..Hα-helixtrans-62.3-35.6178.1-61171.2000112.7G58 V66 S67 L70 W161 Y164G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.26Å; L60-V66 HydrophobicContact CB-CG1 4.33Å; L60-V66 HydrophobicContact CD2-CG1 3.71Å; L60-S67 PolarHBondContact O-N 3.46Å; L60-S67 PolarHBondContact O-OG 2.93Å; L60-L70 HydrophobicContact CB-CD1 4.04Å; L60-L70 HydrophobicContact CD1-CD1 4.19Å; L60-L70 HydrophobicContact CD2-CD1 4.05Å; L60-L70 HydrophobicContact CG-CD1 4.34Å; L60-W161 HydrophobicContact CB-CH2 4.35Å; L60-W161 HydrophobicContact CB-CZ3 4.17Å; L60-Y164 HydrophobicContact CB-CE1 3.75Å; L60-Y164 WeakPolarHBondContact CB-OH 3.05Å; L60-Y164 HydrophobicContact CD1-CE1 4.28Å; L60-Y164 HydrophobicContact CD1-CE2 4.41Å; L60-Y164 PolarHBondContact N-OH 3.45Å
61L93.6Very high93.2Very high21 Ų2164.1 Ų64.111%0.1132%0.321CS..Hα-helixtrans-84-23.4177.3-171.961.7000111.9W49 G58 W59 S67 Y164 C165 V168 I169W49-L61 HydrophobicContact CH2-CD2 4.08Å; W49-L61 HydrophobicContact CZ2-CD2 3.97Å; W49-L61 HydrophobicContact CZ2-CG 3.96Å; G58-L61 PolarHBondContact O-N 3.4Å; W59-L61 VanDerWaalsContact C-N 3.29Å; W59-L61 PolarHBondContact O-N 2.72Å; L61-S67 VanDerWaalsContact CA-OG 3.31Å; L61-S67 WeakPolarHBondContact CA-OG 3.27Å; L61-S67 PolarHBondContact O-OG 3.39Å; L61-Y164 HydrophobicContact CB-CE1 4.12Å; L61-C165 HydrophobicContact CD2-CB 4.45Å; L61-V168 HydrophobicContact CB-CG1 4.19Å; L61-V168 HydrophobicContact CB-CG2 4.5Å; L61-V168 HydrophobicContact CD2-CB 3.84Å; L61-V168 HydrophobicContact CD2-CG1 3.76Å; L61-I169 HydrophobicContact CD2-CD1 4.09Å; L61-I169 HydrophobicContact CD2-CG1 3.82Å
62S90.9Very high93Very high39 Ų3959.1 Ų59.127%0.27330%0.3SS..Hα-helixtrans-74.2-30.8179.3-56.20000112K54 G58 W59K54-S62 WeakPolarHBondContact CD-OG 3.4Å; G58-S62 PolarHBondContact O-N 3.25Å; G58-S62 PolarHBondContact O-OG 3.46Å; W59-S62 PolarHBondContact O-N 2.91Å; W59-S62 VanDerWaalsContact O-N 3.15Å
63N91.5Very high93Very high74 Ų7462.5 Ų62.540%0.39632%0.318SS..SBendtrans-90.9104.4176.5-176-31.9000111W59 N65 V66 S67W59-N63 PolarHBondContact O-N 3.45Å; W59-N63 VanDerWaalsContact O-N 3.12Å; N63-N65 PolarHBondContact O-N 2.9Å; N63-N65 VanDerWaalsContact O-N 3.09Å; N63-N65 PolarHBondContact OD1-N 3.46Å; N63-V66 HydrophobicContact CB-CB 4.02Å; N63-V66 HydrophobicContact CB-CG2 3.96Å; N63-V66 PolarHBondContact O-N 3.03Å; N63-V66 PolarHBondContact OD1-N 3.44Å; N63-S67 PolarHBondContact O-N 2.91Å; N63-S67 PolarHBondContact O-OG 3.33Å
64T88.8Confident93Very high32 Ų3256 Ų5620%0.19629%0.291CS..Hα-helixtrans-53.9-33.1-177.6-43.90000114.3W35 Y38 K39 M68W35-T64 HydrophobicContact CE3-CG2 3.78Å; W35-T64 HydrophobicContact CH2-CG2 4.35Å; W35-T64 HydrophobicContact CZ3-CG2 3.41Å; W35-T64 VanDerWaalsContact CZ3-CG2 3.41Å; Y38-T64 HydrophobicContact CE1-CG2 4.39Å; K39-T64 HydrophobicContact CD-CG2 4.45Å; K39-T64 HydrophobicContact CG-CG2 4.24Å; T64-M68 WeakPolarHBondContact O-CB 3.33Å; T64-M68 PolarHBondContact O-N 3.4Å; T64-M68 VanDerWaalsContact O-N 3.12Å
65N90.8Very high92.9Very high104 Ų10455.6 Ų55.656%0.55629%0.289SS*.Hα-helixtrans-74.2-39.7178.2-70.5-24.1000111.5K39 N63 L69K39-N65 PolarHBondContact NZ-OD1 3.21Å; N63-N65 PolarHBondContact O-N 2.9Å; N63-N65 VanDerWaalsContact O-N 3.09Å; N63-N65 PolarHBondContact OD1-N 3.46Å; N65-L69 PolarHBondContact O-N 2.89Å
66V93.4Very high92.8Very high37 Ų3756.3 Ų56.322%0.22430%0.296CS..Hα-helixtrans-67.8-43.9175.9176.70000110.2L60 N63 M68 L69 L70L60-V66 HydrophobicContact CB-CG1 4.33Å; L60-V66 HydrophobicContact CD2-CG1 3.71Å; N63-V66 HydrophobicContact CB-CB 4.02Å; N63-V66 HydrophobicContact CB-CG2 3.96Å; N63-V66 PolarHBondContact O-N 3.03Å; N63-V66 PolarHBondContact OD1-N 3.44Å; V66-M68 VanDerWaalsContact C-N 3.33Å; V66-M68 PolarHBondContact O-N 3.24Å; V66-L69 PolarHBondContact O-N 3.31Å; V66-L70 HydrophobicContact CG1-CD1 3.78Å; V66-L70 HydrophobicContact CG1-CG 4.29Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 3.23Å
67S93Very high92.8Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-59.8-42.8177-43.90000111.9L60 L61 N63 L69 L70 D71L60-S67 PolarHBondContact O-N 3.46Å; L60-S67 PolarHBondContact O-OG 2.93Å; L61-S67 VanDerWaalsContact CA-OG 3.31Å; L61-S67 WeakPolarHBondContact CA-OG 3.27Å; L61-S67 PolarHBondContact O-OG 3.39Å; N63-S67 PolarHBondContact O-N 2.91Å; N63-S67 PolarHBondContact O-OG 3.33Å; S67-L69 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 3.41Å; S67-D71 WeakPolarHBondContact O-CB 3.23Å; S67-D71 PolarHBondContact O-N 3.36Å
68M91.9Very high92.7Very high55 Ų5546.6 Ų46.627%0.27125%0.247SC..Hα-helixtrans-59.8-44.2175.3178.8-174.990.200112.7W35 T64 V66 S72W35-M68 HydrophobicContact CB-CB 4.18Å; W35-M68 HydrophobicContact CB-CG 3.61Å; W35-M68 HydrophobicContact CB-SD 3.77Å; W35-M68 HydrophobicContact CD2-CB 3.86Å; W35-M68 HydrophobicContact CD2-CG 4.25Å; W35-M68 HydrophobicContact CG-CB 3.7Å; W35-M68 HydrophobicContact CG-CG 3.54Å; W35-M68 HydrophobicContact CG-SD 4.33Å; T64-M68 WeakPolarHBondContact O-CB 3.33Å; T64-M68 PolarHBondContact O-N 3.4Å; T64-M68 VanDerWaalsContact O-N 3.12Å; V66-M68 VanDerWaalsContact C-N 3.33Å; V66-M68 PolarHBondContact O-N 3.24Å; M68-S72 PolarHBondContact O-N 2.68Å; M68-S72 PolarHBondContact O-OG 2.86Å
69L93.4Very high92.6Very high101 Ų10147.5 Ų47.553%0.52925%0.253SS..Hα-helixtrans-63.7-46.7178.1-172.690.3000110.7N65 V66 S67 S72 L73N65-L69 PolarHBondContact O-N 2.89Å; V66-L69 PolarHBondContact O-N 3.31Å; S67-L69 PolarHBondContact O-N 2.9Å; L69-S72 PolarHBondContact O-N 3.34Å; L69-L73 HydrophobicContact CD2-CD1 4.05Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.49Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.38Å; L69-L73 PolarHBondContact O-N 2.94Å
70L95Very high92.6Very high46 Ų4640.6 Ų40.624%0.24123%0.229CC..Hα-helixtrans-68.6-39.3-177.6-70.1176.1000112.1L60 V66 S67 S72 L73 S74 W161L60-L70 HydrophobicContact CB-CD1 4.04Å; L60-L70 HydrophobicContact CD1-CD1 4.19Å; L60-L70 HydrophobicContact CD2-CD1 4.05Å; L60-L70 HydrophobicContact CG-CD1 4.34Å; V66-L70 HydrophobicContact CG1-CD1 3.78Å; V66-L70 HydrophobicContact CG1-CG 4.29Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 3.23Å; S67-L70 PolarHBondContact O-N 3.41Å; L70-S72 PolarHBondContact O-N 2.88Å; L70-L73 PolarHBondContact O-N 3.21Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.32Å; L70-S74 PolarHBondContact O-OG 3.41Å; L70-W161 HydrophobicContact CB-CD2 3.96Å; L70-W161 HydrophobicContact CB-CE3 3.94Å; L70-W161 HydrophobicContact CB-CH2 3.71Å; L70-W161 HydrophobicContact CB-CZ2 3.71Å; L70-W161 HydrophobicContact CB-CZ3 3.83Å; L70-W161 HydrophobicContact CD1-CE3 3.98Å; L70-W161 HydrophobicContact CD1-CH2 3.58Å; L70-W161 HydrophobicContact CD1-CZ2 4.44Å; L70-W161 HydrophobicContact CD1-CZ3 3.3Å; L70-W161 HydrophobicContact CG-CH2 4.29Å; L70-W161 HydrophobicContact CG-CZ3 4.19Å
71D91.7Very high92.6Very high37 Ų3738.5 Ų38.520%0.19822%0.218CC..Hα-helixtrans-54-54.6170.3-98.3-6.1000110.4T31 W35 S67 L73 S74 F75 W161T31-D71 HydrophobicContact CG2-CB 3.78Å; W35-D71 WeakPolarHBondContact CZ2-OD2 3.48Å; W35-D71 PolarHBondContact NE1-OD2 3.1Å; S67-D71 WeakPolarHBondContact O-CB 3.23Å; S67-D71 PolarHBondContact O-N 3.36Å; D71-L73 PolarHBondContact O-N 2.67Å; D71-S74 PolarHBondContact O-N 2.84Å; D71-S74 PolarHBondContact O-OG 2.9Å; D71-F75 WeakPolarHBondContact O-CD2 3.33Å; D71-F75 PolarHBondContact O-N 3.01Å; D71-W161 PolarHBondContact OD1-NE1 2.81Å
72S91.5Very high92.5Very high18 Ų1842.1 Ų42.113%0.12624%0.237CC..Hα-helixtrans-59.8-46.6-178.8-67.20000112.5C28 M68 L69 L70 S74 F75 A76C28-S72 PolarHBondContact SG-O 3.38Å; C28-S72 VanDerWaalsContact SG-O 3.41Å; M68-S72 PolarHBondContact O-N 2.68Å; M68-S72 PolarHBondContact O-OG 2.86Å; L69-S72 PolarHBondContact O-N 3.34Å; L70-S72 PolarHBondContact O-N 2.88Å; S72-S74 VanDerWaalsContact C-N 3.32Å; S72-S74 PolarHBondContact O-N 2.81Å; S72-F75 PolarHBondContact O-N 2.94Å; S72-A76 PolarHBondContact O-N 3.3Å
73L93.2Very high92.5Very high103 Ų10342.4 Ų42.454%0.53923%0.232SC..Hα-helixtrans-66.6-35.7179-71.5174.5000112L69 L70 D71 F75 A76L69-L73 HydrophobicContact CD2-CD1 4.05Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.49Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CG 3.38Å; L69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 3.21Å; D71-L73 PolarHBondContact O-N 2.67Å; L73-F75 PolarHBondContact O-N 2.83Å; L73-A76 WeakPolarHBondContact O-CB 3.37Å; L73-A76 PolarHBondContact O-N 3.46Å
74S94.5Very high92.5Very high5 Ų539.2 Ų39.24%0.03522%0.215CC..Hα-helixtrans-63-32179.781.60000111.4L70 D71 S72 S158L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.32Å; L70-S74 PolarHBondContact O-OG 3.41Å; D71-S74 PolarHBondContact O-N 2.84Å; D71-S74 PolarHBondContact O-OG 2.9Å; S72-S74 VanDerWaalsContact C-N 3.32Å; S72-S74 PolarHBondContact O-N 2.81Å; S74-S158 WeakPolarHBondContact O-CB 3.35Å; S74-S158 PolarHBondContact O-N 3.06Å; S74-S158 PolarHBondContact O-OG 2.98Å
75F90.5Very high92.7Very high40 Ų4038.4 Ų38.418%0.17521%0.212CC..Hα-helixtrans-90.8-9.7179.2-59.1-46.2000114.5V27 T31 D71 S72 L73 G77 I78V27-F75 HydrophobicContact CG1-CB 3.64Å; T31-F75 HydrophobicContact CG2-CD2 4.37Å; T31-F75 HydrophobicContact CG2-CE2 4.46Å; D71-F75 WeakPolarHBondContact O-CD2 3.33Å; D71-F75 PolarHBondContact O-N 3.01Å; S72-F75 PolarHBondContact O-N 2.94Å; L73-F75 PolarHBondContact O-N 2.83Å; F75-G77 VanDerWaalsContact C-N 3.26Å; F75-G77 PolarHBondContact O-N 3.15Å; F75-I78 HydrophobicContact CB-CD1 4.2Å; F75-I78 HydrophobicContact CD1-CD1 3.62Å; F75-I78 HydrophobicContact CG-CD1 4.35Å; F75-I78 WeakPolarHBondContact O-CB 3.29Å; F75-I78 PolarHBondContact O-N 3.12Å; F75-I78 VanDerWaalsContact O-N 3.12Å
76A93Very high92.5Very high28 Ų2842.4 Ų42.423%0.23122%0.22CC..Hα-helixtrans-62.1-32.4-173.400000113.3T24 S72 L73 I78T24-A76 HydrophobicContact CG2-CB 3.97Å; T24-A76 VanDerWaalsContact CG2-O 3.27Å; T24-A76 WeakPolarHBondContact CG2-O 3.3Å; T24-A76 PolarHBondContact OG1-O 3.32Å; S72-A76 PolarHBondContact O-N 3.3Å; L73-A76 WeakPolarHBondContact O-CB 3.37Å; L73-A76 PolarHBondContact O-N 3.46Å; A76-I78 VanDerWaalsContact C-N 3.33Å
77G93.5Very high92.3Very high14 Ų1444.6 Ų44.614%0.14423%0.227CC..THydrogen-bonded Turntrans-76.6-15.9179.400000114.6F75 A80 A81F75-G77 VanDerWaalsContact C-N 3.26Å; F75-G77 PolarHBondContact O-N 3.15Å; G77-A80 PolarHBondContact O-N 2.82Å; G77-A81 WeakPolarHBondContact O-CB 3.14Å; G77-A81 PolarHBondContact O-N 2.57Å
78I92.7Very high92Very high26 Ų2648 Ų4813%0.13324%0.243CC..Hα-helixtrans-61.8-48.1-170.6-63.6-177.8000112.4F75 A76 A80 A81 I82 I155F75-I78 HydrophobicContact CB-CD1 4.2Å; F75-I78 HydrophobicContact CD1-CD1 3.62Å; F75-I78 HydrophobicContact CG-CD1 4.35Å; F75-I78 WeakPolarHBondContact O-CB 3.29Å; F75-I78 PolarHBondContact O-N 3.12Å; F75-I78 VanDerWaalsContact O-N 3.12Å; A76-I78 VanDerWaalsContact C-N 3.33Å; I78-A80 VanDerWaalsContact C-N 3.35Å; I78-A80 PolarHBondContact O-N 3.47Å; I78-A81 WeakPolarHBondContact O-CB 3.31Å; I78-A81 PolarHBondContact O-N 3.03Å; I78-I82 HydrophobicContact CG2-CD1 3.67Å; I78-I82 HydrophobicContact CG2-CG1 4.27Å; I78-I82 WeakPolarHBondContact O-CG1 3.34Å; I78-I82 PolarHBondContact O-N 3.36Å; I78-I155 HydrophobicContact CB-CD1 4.24Å; I78-I155 HydrophobicContact CG1-CD1 3.77Å; I78-I155 HydrophobicContact CG2-CD1 4.42Å
79P93.1Very high91.1Very high18 Ų1853 Ų5312%0.11727%0.271CS..Hα-helixtrans-62.6-41.7-178.5-26.138.5000112.7T23 V27 Y83T23-P79 WeakPolarHBondContact OG1-CB 3.33Å; V27-P79 HydrophobicContact CG2-CG 4.12Å; P79-Y83 WeakPolarHBondContact O-CB 3.43Å; P79-Y83 PolarHBondContact O-N 3.4Å
80A93.6Very high90.3Very high11 Ų1150.2 Ų50.29%0.09126%0.257CS..Hα-helixtrans-62.8-43.5174.900000111.5I20 G77 I78 I82 Y83 F84 L154I20-A80 HydrophobicContact CG2-CB 3.74Å; G77-A80 PolarHBondContact O-N 2.82Å; I78-A80 VanDerWaalsContact C-N 3.35Å; I78-A80 PolarHBondContact O-N 3.47Å; A80-I82 PolarHBondContact O-N 2.64Å; A80-Y83 PolarHBondContact O-N 3.29Å; A80-F84 HydrophobicContact CB-CE1 4.36Å; A80-F84 HydrophobicContact CB-CZ 4.31Å; A80-F84 WeakPolarHBondContact O-CB 3.43Å; A80-F84 WeakPolarHBondContact O-CD1 3.28Å; A80-F84 WeakPolarHBondContact O-CG 3.48Å; A80-F84 PolarHBondContact O-N 2.93Å; A80-L154 HydrophobicContact CB-CD1 3.85Å
81A94.5Very high89.6Confident0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-59.6-48.9178.600000112.4G77 I78 Y83 F84 A85 L144 A151 L154 I155G77-A81 WeakPolarHBondContact O-CB 3.14Å; G77-A81 PolarHBondContact O-N 2.57Å; I78-A81 WeakPolarHBondContact O-CB 3.31Å; I78-A81 PolarHBondContact O-N 3.03Å; A81-Y83 VanDerWaalsContact C-N 3.31Å; A81-Y83 PolarHBondContact O-N 3.32Å; A81-F84 PolarHBondContact O-N 2.86Å; A81-A85 WeakPolarHBondContact O-CB 3.39Å; A81-A85 PolarHBondContact O-N 2.84Å; A81-L144 HydrophobicContact CB-CD1 4.03Å; A81-A151 HydrophobicContact CB-CB 4.27Å; A81-A151 WeakPolarHBondContact CB-O 3.35Å; A81-A151 VanDerWaalsContact O-CB 3.23Å; A81-A151 WeakPolarHBondContact O-CB 3.38Å; A81-L154 HydrophobicContact CB-CB 3.8Å; A81-L154 HydrophobicContact CB-CD1 4.39Å; A81-I155 HydrophobicContact CB-CD1 3.56Å; A81-I155 HydrophobicContact CB-CG1 3.88Å
82I91.5Very high89.2Confident97 Ų9760.2 Ų60.250%0.49730%0.301SS..Hα-helixtrans-62-43.3178-65.9171.9000109.8I78 A80 A85 Y86I78-I82 HydrophobicContact CG2-CD1 3.67Å; I78-I82 HydrophobicContact CG2-CG1 4.27Å; I78-I82 WeakPolarHBondContact O-CG1 3.34Å; I78-I82 PolarHBondContact O-N 3.36Å; A80-I82 PolarHBondContact O-N 2.64Å; I82-A85 PolarHBondContact O-N 3.33Å; I82-Y86 WeakPolarHBondContact O-CB 3.39Å; I82-Y86 PolarHBondContact O-N 3.35Å
83Y91.3Very high88.8Confident45 Ų4567.4 Ų67.418%0.17633%0.33CS..Hα-helixtrans-64.7-42.5-179.9-166.1-92.1000112.6L12 E16 I20 P79 A80 A81 A85 Y86 K87L12-Y83 HydrophobicContact CD2-CD1 3.84Å; L12-Y83 HydrophobicContact CD2-CE1 3.38Å; E16-Y83 HydrophobicContact CB-CE1 4.28Å; E16-Y83 VanDerWaalsContact CD-OH 3.25Å; E16-Y83 HydrophobicContact CG-CE1 4.45Å; E16-Y83 VanDerWaalsContact CG-OH 3.26Å; E16-Y83 WeakPolarHBondContact CG-OH 3.34Å; E16-Y83 PolarHBondContact OE1-OH 3.19Å; I20-Y83 HydrophobicContact CD1-CD1 3.8Å; I20-Y83 HydrophobicContact CD1-CE1 4.49Å; I20-Y83 HydrophobicContact CD1-CG 4.08Å; I20-Y83 HydrophobicContact CG1-CD1 4.36Å; I20-Y83 HydrophobicContact CG1-CG 4.16Å; P79-Y83 WeakPolarHBondContact O-CB 3.43Å; P79-Y83 PolarHBondContact O-N 3.4Å; A80-Y83 PolarHBondContact O-N 3.29Å; A81-Y83 VanDerWaalsContact C-N 3.31Å; A81-Y83 PolarHBondContact O-N 3.32Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 2.94Å; Y83-Y86 WeakPolarHBondContact O-CB 3.26Å; Y83-Y86 PolarHBondContact O-N 3.46Å; Y83-K87 HydrophobicContact CE1-CG 4.11Å; Y83-K87 PolarHBondContact O-N 2.73Å
84F92.6Very high88.4Confident6 Ų668.7 Ų68.73%0.02634%0.337CS..Hα-helixtrans-64.3-41.8178.4-68.24.4000111.2I9 P10 L12 W17 I20 A80 A81 Y86 K87 Q88 A150 A151 L154I9-F84 HydrophobicContact CB-CE2 4.48Å; I9-F84 HydrophobicContact CD1-CE2 4.37Å; I9-F84 HydrophobicContact CG1-CE2 4.08Å; I9-F84 HydrophobicContact CG2-CE2 4.03Å; I9-F84 HydrophobicContact CG2-CZ 3.99Å; P10-F84 HydrophobicContact CG-CB 4.43Å; P10-F84 HydrophobicContact CG-CD1 3.86Å; P10-F84 HydrophobicContact CG-CE1 4.47Å; P10-F84 HydrophobicContact CG-CG 4.2Å; L12-F84 HydrophobicContact CD1-CD1 4.38Å; L12-F84 HydrophobicContact CD1-CE1 3.58Å; L12-F84 HydrophobicContact CD1-CZ 4.23Å; W17-F84 HydrophobicContact CH2-CZ 4.42Å; I20-F84 HydrophobicContact CD1-CE1 4.09Å; A80-F84 HydrophobicContact CB-CE1 4.36Å; A80-F84 HydrophobicContact CB-CZ 4.31Å; A80-F84 WeakPolarHBondContact O-CB 3.43Å; A80-F84 WeakPolarHBondContact O-CD1 3.28Å; A80-F84 WeakPolarHBondContact O-CG 3.48Å; A80-F84 PolarHBondContact O-N 2.93Å; A81-F84 PolarHBondContact O-N 2.86Å; F84-Y86 VanDerWaalsContact C-N 3.34Å; F84-K87 PolarHBondContact O-N 2.98Å; F84-Q88 PolarHBondContact O-N 3.41Å; F84-A150 HydrophobicContact CD2-CB 3.93Å; F84-A150 HydrophobicContact CE2-CB 4.24Å; F84-A151 HydrophobicContact CB-CB 4.19Å; F84-L154 HydrophobicContact CD2-CD1 3.81Å; F84-L154 HydrophobicContact CE2-CD1 3.6Å; F84-L154 HydrophobicContact CZ-CD1 4.37Å
85A91.3Very high87.8Confident16 Ų1669.2 Ų69.213%0.13234%0.341CS..Hα-helixtrans-66.6-36174.800000112.5A81 I82 Y83 Q88 L144 I147 A151A81-A85 WeakPolarHBondContact O-CB 3.39Å; A81-A85 PolarHBondContact O-N 2.84Å; I82-A85 PolarHBondContact O-N 3.33Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 2.94Å; A85-Q88 WeakPolarHBondContact O-CB 3.43Å; A85-Q88 PolarHBondContact O-N 3.34Å; A85-L144 HydrophobicContact CB-CD2 3.66Å; A85-I147 HydrophobicContact CB-CG2 4.09Å; A85-A151 HydrophobicContact CB-CB 4.23Å
86Y87.7Confident87.5Confident187 Ų18768.8 Ų68.873%0.73335%0.345SS*.Hα-helixtrans-65.1-43.3175.5170.6-101.8000112.5I82 Y83 F84 Q88I82-Y86 WeakPolarHBondContact O-CB 3.39Å; I82-Y86 PolarHBondContact O-N 3.35Å; Y83-Y86 WeakPolarHBondContact O-CB 3.26Å; Y83-Y86 PolarHBondContact O-N 3.46Å; F84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 3.49Å
87K89Confident87.2Confident84 Ų8469.4 Ų69.437%0.36535%0.35SS..Hα-helixtrans-71-19177.5-108.3-131.6-175.5161.20113.6P10 E11 E16 Y83 F84 D89P10-K87 HydrophobicContact CB-CB 4.22Å; P10-K87 HydrophobicContact CB-CD 4.05Å; P10-K87 HydrophobicContact CG-CB 4.26Å; E11-K87 PolarHBondContact O-NZ 3.41Å; E16-K87 WeakPolarHBondContact OE1-CE 3.46Å; E16-K87 IonicContact OE1-NZ 2.82Å; E16-K87 PolarHBondContact OE1-NZ 3.42Å; E16-K87 IonicContact OE2-NZ 3.09Å; E16-K87 PolarHBondContact OE2-NZ 3.42Å; E16-K87 VanDerWaalsContact OE2-NZ 3.09Å; Y83-K87 HydrophobicContact CE1-CG 4.11Å; Y83-K87 PolarHBondContact O-N 2.73Å; F84-K87 PolarHBondContact O-N 2.98Å; K87-D89 PolarHBondContact O-N 3.26Å; K87-D89 VanDerWaalsContact O-N 3.08Å
88Q86.1Confident86.8Confident72 Ų7272.1 Ų72.134%0.33636%0.361SS..  trans-73.2101.4179.7-167.584.737.300109.4F84 A85 Y86 T90 I147 N148F84-Q88 PolarHBondContact O-N 3.41Å; A85-Q88 WeakPolarHBondContact O-CB 3.43Å; A85-Q88 PolarHBondContact O-N 3.34Å; Y86-Q88 PolarHBondContact O-N 3.49Å; Q88-T90 PolarHBondContact O-N 3.17Å; Q88-I147 HydrophobicContact CB-CG2 4.02Å; Q88-I147 HydrophobicContact CG-CG2 4.12Å; Q88-N148 PolarHBondContact OE1-ND2 3.18Å
89D73.7Confident86.7Confident160 Ų16071.3 Ų71.386%0.85636%0.358SS*.  trans-66.4119.8167-164.27.2000108.8K87K87-D89 PolarHBondContact O-N 3.26Å; K87-D89 VanDerWaalsContact O-N 3.08Å
90T76.2Confident86.5Confident41 Ų4177.1 Ų77.125%0.25239%0.385SS..  trans-149.5135.7-171-166.60000113Q88 R92 I147Q88-T90 PolarHBondContact O-N 3.17Å; T90-R92 HydrophobicContact CG2-CB 4.17Å; T90-R92 PolarHBondContact O-N 3.23Å; T90-R92 WeakPolarHBondContact OG1-CB 3.49Å; T90-R92 VanDerWaalsContact OG1-CG 3.29Å; T90-R92 WeakPolarHBondContact OG1-CG 3.3Å; T90-R92 PolarHBondContact OG1-N 2.98Å; T90-I147 HydrophobicContact CG2-CG2 4.18Å
91D81.2Confident86.3Confident154 Ų15481.9 Ų81.982%0.82441%0.413SS*.SBendtrans-75-0.4170.2-65.9-44.7000113.2K93D91-K93 PolarHBondContact O-N 2.97Å
92R82.5Confident86Confident139 Ų13982.2 Ų82.253%0.52542%0.415SS..  trans-77.556.6-176.8-62.4178.7-179.6162.93.6112.5T90 L94 A95 A96 N146T90-R92 HydrophobicContact CG2-CB 4.17Å; T90-R92 PolarHBondContact O-N 3.23Å; T90-R92 WeakPolarHBondContact OG1-CB 3.49Å; T90-R92 VanDerWaalsContact OG1-CG 3.29Å; T90-R92 WeakPolarHBondContact OG1-CG 3.3Å; T90-R92 PolarHBondContact OG1-N 2.98Å; R92-L94 VanDerWaalsContact C-N 3.29Å; R92-L94 PolarHBondContact O-N 3.29Å; R92-A95 HydrophobicContact CB-CB 4.17Å; R92-A95 PolarHBondContact O-N 3.48Å; R92-A95 VanDerWaalsContact O-N 3.07Å; R92-A96 PolarHBondContact O-N 3.18Å; R92-N146 WeakPolarHBondContact CD-O 3.3Å; R92-N146 PolarHBondContact NH1-O 3.44Å
93K83.4Confident85.8Confident169 Ų16978.8 Ų78.874%0.73540%0.404SS*.Hα-helixtrans-54.1-39.5-175.9-65.1-177.7-177.9178.90113.6D91 A96 A97D91-K93 PolarHBondContact O-N 2.97Å; K93-A96 PolarHBondContact O-N 3.32Å; K93-A97 WeakPolarHBondContact O-CB 3.38Å; K93-A97 PolarHBondContact O-N 2.99Å
94L83.8Confident85.8Confident131 Ų13178.6 Ų78.669%0.68642%0.415SS*.Hα-helixtrans-64.8-46.1177.7179.662.2000111.8R92 A96 A97 I98R92-L94 VanDerWaalsContact C-N 3.29Å; R92-L94 PolarHBondContact O-N 3.29Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.44Å; L94-A97 PolarHBondContact O-N 3.24Å; L94-I98 HydrophobicContact CD1-CD1 4.06Å; L94-I98 HydrophobicContact CD1-CG1 4.26Å; L94-I98 HydrophobicContact CG-CD1 3.97Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 2.81Å
95A83.2Confident85.6Confident15 Ų1580 Ų8012%0.12443%0.428CS..Hα-helixtrans-63.4-41.3178.200000111.1R92 I98 A99 N146 I147R92-A95 HydrophobicContact CB-CB 4.17Å; R92-A95 PolarHBondContact O-N 3.48Å; R92-A95 VanDerWaalsContact O-N 3.07Å; A95-I98 PolarHBondContact O-N 2.92Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.22Å; A95-N146 HydrophobicContact CB-CB 4.26Å; A95-I147 HydrophobicContact CB-CD1 4.42Å; A95-I147 HydrophobicContact CB-CG1 3.89Å
96A84.4Confident85.7Confident32 Ų3279.8 Ų79.826%0.26443%0.425SS..Hα-helixtrans-61.3-43.3174.100000112.3R92 K93 L94 A99 M100 I147R92-A96 PolarHBondContact O-N 3.18Å; K93-A96 PolarHBondContact O-N 3.32Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.44Å; A96-A99 PolarHBondContact O-N 2.83Å; A96-M100 WeakPolarHBondContact O-CG 3.25Å; A96-M100 PolarHBondContact O-N 3.36Å; A96-I147 HydrophobicContact CB-CD1 4.3Å
97A85.7Confident85.9Confident41 Ų4176.6 Ų76.634%0.33942%0.42SS..Hα-helixtrans-62.5-46.517600000112K93 L94 A99 M100 V101K93-A97 WeakPolarHBondContact O-CB 3.38Å; K93-A97 PolarHBondContact O-N 2.99Å; L94-A97 PolarHBondContact O-N 3.24Å; A97-A99 VanDerWaalsContact C-N 3.32Å; A97-A99 PolarHBondContact O-N 3.26Å; A97-M100 PolarHBondContact O-N 2.84Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 2.89Å
98I86.3Confident86.1Confident71 Ų7174.9 Ų74.936%0.36442%0.421SS..Hα-helixtrans-63.4-40.3176.5-60.5167.9000110.3L94 A95 V101 S102 T139 S143L94-I98 HydrophobicContact CD1-CD1 4.06Å; L94-I98 HydrophobicContact CD1-CG1 4.26Å; L94-I98 HydrophobicContact CG-CD1 3.97Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 2.81Å; A95-I98 PolarHBondContact O-N 2.92Å; I98-V101 PolarHBondContact O-N 2.85Å; I98-S102 VanDerWaalsContact O-CB 3.25Å; I98-S102 WeakPolarHBondContact O-CB 3.12Å; I98-S102 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-OG 3.35Å; I98-T139 HydrophobicContact CG2-CG2 4.08Å; I98-S143 WeakPolarHBondContact CG2-OG 3.41Å
99A89.6Confident86.4Confident9 Ų973 Ų737%0.07442%0.416CS..Hα-helixtrans-62-42.8175.900000112.2A95 A96 A97 S102 G103 L140 L144 I147A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.22Å; A96-A99 PolarHBondContact O-N 2.83Å; A97-A99 VanDerWaalsContact C-N 3.32Å; A97-A99 PolarHBondContact O-N 3.26Å; A99-S102 WeakPolarHBondContact CA-OG 3.49Å; A99-S102 PolarHBondContact O-OG 2.94Å; A99-G103 WeakPolarHBondContact O-CA 3.39Å; A99-G103 PolarHBondContact O-N 3.35Å; A99-L140 HydrophobicContact CB-CD1 4.42Å; A99-L140 WeakPolarHBondContact O-CD1 3.46Å; A99-L144 HydrophobicContact CB-CD2 3.8Å; A99-I147 HydrophobicContact CB-CD1 3.86Å
100M89.3Confident87.2Confident140 Ų14067 Ų6769%0.6939%0.387SS*.Hα-helixtrans-64.3-47.3175.7-73.1-172.2-66.700112A96 A97 G103 G104A96-M100 WeakPolarHBondContact O-CG 3.25Å; A96-M100 PolarHBondContact O-N 3.36Å; A97-M100 PolarHBondContact O-N 2.84Å; M100-G103 PolarHBondContact O-N 3.41Å; M100-G104 PolarHBondContact O-N 3.46Å
101V89.7Confident87.9Confident110 Ų11069.3 Ų69.367%0.66740%0.401SS*.Hα-helixtrans-64-47.2179.4172.50000110.9A97 I98 G104 A105A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 2.89Å; I98-V101 PolarHBondContact O-N 2.85Å; V101-G104 PolarHBondContact O-N 3.02Å; V101-A105 WeakPolarHBondContact O-CB 3.13Å; V101-A105 PolarHBondContact O-N 3.48Å
102S86.8Confident88.5Confident7 Ų768 Ų685%0.04939%0.393CS..Hα-helixtrans-67.5-35.7178.557.40000112.6I98 A99 A105 L106I98-S102 VanDerWaalsContact O-CB 3.25Å; I98-S102 WeakPolarHBondContact O-CB 3.12Å; I98-S102 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-OG 3.35Å; A99-S102 WeakPolarHBondContact CA-OG 3.49Å; A99-S102 PolarHBondContact O-OG 2.94Å; S102-A105 PolarHBondContact O-N 3.19Å; S102-L106 WeakPolarHBondContact O-CB 3.43Å; S102-L106 PolarHBondContact O-N 2.75Å
103G88.9Confident89Confident26 Ų2661.9 Ų61.927%0.26837%0.372SS..Hα-helixtrans-63.9-44.5172.900000112.2A99 M100 L106 L107A99-G103 WeakPolarHBondContact O-CA 3.39Å; A99-G103 PolarHBondContact O-N 3.35Å; M100-G103 PolarHBondContact O-N 3.41Å; G103-L106 PolarHBondContact O-N 3.36Å; G103-L107 PolarHBondContact O-N 2.98Å
104G89.7Confident89.4Confident40 Ų4055.9 Ų55.941%0.41235%0.349SS..Hα-helixtrans-62.8-42.8172.800000112.6M100 V101 L107 A108M100-G104 PolarHBondContact O-N 3.46Å; V101-G104 PolarHBondContact O-N 3.02Å; G104-L107 PolarHBondContact O-N 3.14Å; G104-A108 WeakPolarHBondContact O-CB 3.46Å; G104-A108 PolarHBondContact O-N 2.81Å
105A90.3Very high89.8Confident36 Ų3653.1 Ų53.130%0.29834%0.339SS..Hα-helixtrans-63.9-4117600000112.1V101 S102 A108 C109 T136V101-A105 WeakPolarHBondContact O-CB 3.13Å; V101-A105 PolarHBondContact O-N 3.48Å; S102-A105 PolarHBondContact O-N 3.19Å; A105-A108 PolarHBondContact O-N 2.94Å; A105-C109 WeakPolarHBondContact O-CB 3.32Å; A105-C109 PolarHBondContact O-N 2.99Å; A105-C109 PolarHBondContact O-SG 2.96Å; A105-T136 HydrophobicContact CB-CG2 3.85Å
106L92.9Very high90.2Very high12 Ų1253.9 Ų53.96%0.06334%0.342CS..Hα-helixtrans-63.2-43.1175.6178.660.8000111.1S102 G103 C109 S110 L133 T136 L140S102-L106 WeakPolarHBondContact O-CB 3.43Å; S102-L106 PolarHBondContact O-N 2.75Å; G103-L106 PolarHBondContact O-N 3.36Å; L106-C109 PolarHBondContact O-N 3.36Å; L106-S110 VanDerWaalsContact O-CB 3.27Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.91Å; L106-S110 PolarHBondContact O-OG 3.27Å; L106-L133 HydrophobicContact CD1-CD2 4.17Å; L106-T136 WeakPolarHBondContact CD1-OG1 3.17Å; L106-L140 HydrophobicContact CD2-CD2 3.66Å
107L91.8Very high90.5Very high120 Ų12055.5 Ų55.563%0.62834%0.341SS*.Hα-helixtrans-61.9-45.3175.8-178.466.5000111.5G103 G104 S110 T111G103-L107 PolarHBondContact O-N 2.98Å; G104-L107 PolarHBondContact O-N 3.14Å; L107-S110 PolarHBondContact O-N 2.89Å; L107-T111 WeakPolarHBondContact O-CB 3.5Å; L107-T111 PolarHBondContact O-N 2.78Å; L107-T111 PolarHBondContact O-OG1 3Å
108A92.4Very high90.8Very high48 Ų4854.5 Ų54.540%0.39733%0.33SS..Hα-helixtrans-62.9-48.417700000111.6G104 A105 S110 T111 L112G104-A108 WeakPolarHBondContact O-CB 3.46Å; G104-A108 PolarHBondContact O-N 2.81Å; A105-A108 PolarHBondContact O-N 2.94Å; A108-S110 VanDerWaalsContact C-N 3.32Å; A108-S110 PolarHBondContact O-N 3.2Å; A108-T111 PolarHBondContact O-N 3.38Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A108-L112 PolarHBondContact O-N 3.43Å
109C92Very high91.1Very high32 Ų3256.1 Ų56.122%0.21634%0.34CS..Hα-helixtrans-59.4-43.7176.5-70.70000111.2A105 L106 T111 L112 S113 L133A105-C109 WeakPolarHBondContact O-CB 3.32Å; A105-C109 PolarHBondContact O-N 2.99Å; A105-C109 PolarHBondContact O-SG 2.96Å; L106-C109 PolarHBondContact O-N 3.36Å; C109-T111 PolarHBondContact O-N 2.86Å; C109-L112 PolarHBondContact O-N 3.37Å; C109-S113 WeakPolarHBondContact O-CB 3.48Å; C109-S113 PolarHBondContact O-N 2.92Å; C109-S113 PolarHBondContact O-OG 3.34Å; C109-L133 HydrophobicContact CB-CD2 3.74Å; C109-L133 HydrophobicContact CB-CG 4.32Å
110S92Very high91.3Very high35 Ų3556.8 Ų56.825%0.24534%0.344CS..Hα-helixtrans-61.6-47178.8-59.50000110.9L106 L107 A108 S113L106-S110 VanDerWaalsContact O-CB 3.27Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.91Å; L106-S110 PolarHBondContact O-OG 3.27Å; L107-S110 PolarHBondContact O-N 2.89Å; A108-S110 VanDerWaalsContact C-N 3.32Å; A108-S110 PolarHBondContact O-N 3.2Å; S110-S113 PolarHBondContact O-N 3.18Å; S110-S113 PolarHBondContact O-OG 3Å
111T91.1Very high91.4Very high89 Ų8955.4 Ų55.455%0.54633%0.334SS..Hα-helixtrans-64.3-46.4179.5-54.30000111.9L107 A108 C109 S113 V114L107-T111 WeakPolarHBondContact O-CB 3.5Å; L107-T111 PolarHBondContact O-N 2.78Å; L107-T111 PolarHBondContact O-OG1 3Å; A108-T111 PolarHBondContact O-N 3.38Å; C109-T111 PolarHBondContact O-N 2.86Å; T111-S113 VanDerWaalsContact C-N 3.28Å; T111-S113 PolarHBondContact O-N 2.72Å; T111-V114 PolarHBondContact O-N 3.46Å
112L92Very high91.6Very high125 Ų12554 Ų5465%0.65432%0.323SS*.Hα-helixtrans-72.2-22.8-179.3-67.5172.9000112.8A108 C109 V114 P115A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A108-L112 PolarHBondContact O-N 3.43Å; C109-L112 PolarHBondContact O-N 3.37Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-P115 VanDerWaalsContact O-CD 3.29Å; L112-P115 WeakPolarHBondContact O-CD 3.5Å; L112-P115 WeakPolarHBondContact O-CG 3.24Å
113S92.9Very high91.9Very high12 Ų1254.2 Ų54.28%0.08432%0.323CS..Hα-helixtrans-71.9-25176.575.90000113.3C109 S110 T111 V116 Y117 T129C109-S113 WeakPolarHBondContact O-CB 3.48Å; C109-S113 PolarHBondContact O-N 2.92Å; C109-S113 PolarHBondContact O-OG 3.34Å; S110-S113 PolarHBondContact O-N 3.18Å; S110-S113 PolarHBondContact O-OG 3Å; T111-S113 VanDerWaalsContact C-N 3.28Å; T111-S113 PolarHBondContact O-N 2.72Å; S113-V116 WeakPolarHBondContact O-CB 3.47Å; S113-V116 PolarHBondContact O-N 2.84Å; S113-V116 VanDerWaalsContact O-N 3.09Å; S113-Y117 VanDerWaalsContact O-CD2 3.3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.45Å; S113-Y117 PolarHBondContact O-N 3.12Å; S113-T129 VanDerWaalsContact CB-CG2 3.42Å
114V92.1Very high92.2Very high43 Ų4358.6 Ų58.626%0.26134%0.336SS..Hα-helixtrans-53.4-56.4-178.6176.50000112.3L34 T111 L112 V116 Y117 M118L34-V114 HydrophobicContact CD1-CG2 4.46Å; L34-V114 HydrophobicContact CD2-CG1 4.21Å; T111-V114 PolarHBondContact O-N 3.46Å; L112-V114 VanDerWaalsContact C-N 3.32Å; V114-V116 PolarHBondContact O-N 3.39Å; V114-Y117 PolarHBondContact O-N 2.68Å; V114-M118 HydrophobicContact CG1-CE 3.76Å; V114-M118 HydrophobicContact CG1-CG 4.4Å; V114-M118 HydrophobicContact CG1-SD 3.63Å; V114-M118 VanDerWaalsContact O-CB 3.28Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 WeakPolarHBondContact O-CG 3.44Å; V114-M118 PolarHBondContact O-N 3.25Å
115P91.8Very high92.4Very high73 Ų7358.8 Ų58.847%0.47433%0.331SS..Hα-helixtrans-62.6-32.6178.624.1-35.1000112.8L112 N119L112-P115 VanDerWaalsContact O-CD 3.29Å; L112-P115 WeakPolarHBondContact O-CD 3.5Å; L112-P115 WeakPolarHBondContact O-CG 3.24Å; P115-N119 WeakPolarHBondContact O-CB 3.29Å; P115-N119 PolarHBondContact O-N 2.92Å; P115-N119 PolarHBondContact O-ND2 3.27Å; P115-N119 VanDerWaalsContact O-ND2 3.08Å
116V93Very high92.6Very high30 Ų3057.2 Ų57.218%0.18232%0.318CS..Hα-helixtrans-65.1-55.1178.5-178.10000110.4S113 V114 M118 N119 S120 L126 T129S113-V116 WeakPolarHBondContact O-CB 3.47Å; S113-V116 PolarHBondContact O-N 2.84Å; S113-V116 VanDerWaalsContact O-N 3.09Å; V114-V116 PolarHBondContact O-N 3.39Å; V116-M118 PolarHBondContact O-N 2.95Å; V116-N119 PolarHBondContact O-N 3.09Å; V116-S120 WeakPolarHBondContact O-CA 3.34Å; V116-S120 WeakPolarHBondContact O-CB 3.49Å; V116-S120 PolarHBondContact O-N 2.74Å; V116-L126 HydrophobicContact CG1-CD2 3.97Å; V116-L126 HydrophobicContact CG1-CG 4.5Å; V116-T129 HydrophobicContact CG1-CG2 4.49Å
117Y91.3Very high92.7Very high66 Ų6657 Ų5726%0.25932%0.317SS..Hα-helixtrans-66.9-22.2179.3-77-68.1000114.2H45 S113 V114 L126 T129 S130 L133 I169H45-Y117 PolarHBondContact CE1-O 3.36Å; H45-Y117 PolarHBondContact ND1-O 2.84Å; H45-Y117 PolarHBondContact NE2-O 2.97Å; S113-Y117 VanDerWaalsContact O-CD2 3.3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.45Å; S113-Y117 PolarHBondContact O-N 3.12Å; V114-Y117 PolarHBondContact O-N 2.68Å; Y117-L126 HydrophobicContact CD1-CD2 3.54Å; Y117-L126 HydrophobicContact CE1-CD2 3.96Å; Y117-L126 HydrophobicContact CG-CD2 4.22Å; Y117-T129 HydrophobicContact CE2-CG2 4.11Å; Y117-S130 PolarHBondContact OH-OG 3.41Å; Y117-L133 HydrophobicContact CE2-CD1 3.9Å; Y117-I169 HydrophobicContact CE1-CD1 3.95Å
118M91.6Very high92.9Very high20 Ų2054.8 Ų54.810%0.09931%0.309CS..Hα-helixtrans-88.4-24.1-179.8-72.1-173.3174.700113.5L34 Y37 Y38 H45 V114 V116L34-M118 HydrophobicContact CB-CE 4.21Å; L34-M118 HydrophobicContact CD2-CE 3.81Å; Y37-M118 HydrophobicContact CD1-CE 3.97Å; Y37-M118 HydrophobicContact CD1-SD 3.85Å; Y37-M118 HydrophobicContact CE1-SD 4Å; Y38-M118 HydrophobicContact CD2-CG 4.11Å; H45-M118 VanDerWaalsContact CB-O 3.23Å; H45-M118 WeakPolarHBondContact CB-O 3.4Å; V114-M118 HydrophobicContact CG1-CE 3.76Å; V114-M118 HydrophobicContact CG1-CG 4.4Å; V114-M118 HydrophobicContact CG1-SD 3.63Å; V114-M118 VanDerWaalsContact O-CB 3.28Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 WeakPolarHBondContact O-CG 3.44Å; V114-M118 PolarHBondContact O-N 3.25Å; V116-M118 PolarHBondContact O-N 2.95Å
119N91.9Very high93.1Very high106 Ų10653.7 Ų53.757%0.56730%0.297SS*.Hα-helixtrans-137-24-168.1-56.5-76.9000115.2P115 V116 K121P115-N119 WeakPolarHBondContact O-CB 3.29Å; P115-N119 PolarHBondContact O-N 2.92Å; P115-N119 PolarHBondContact O-ND2 3.27Å; P115-N119 VanDerWaalsContact O-ND2 3.08Å; V116-N119 PolarHBondContact O-N 3.09Å; N119-K121 PolarHBondContact O-N 3Å
120S93Very high93.3Very high23 Ų2352.2 Ų52.216%0.16129%0.287CS..  trans-69.4128.7-175.8-171.30000111.1H45 W48 V116 D122H45-S120 PolarHBondContact CD2-O 3.42Å; H45-S120 PolarHBondContact NE2-O 3.48Å; W48-S120 WeakPolarHBondContact CZ3-O 3.35Å; V116-S120 WeakPolarHBondContact O-CA 3.34Å; V116-S120 WeakPolarHBondContact O-CB 3.49Å; V116-S120 PolarHBondContact O-N 2.74Å; S120-D122 VanDerWaalsContact C-N 3.34Å; S120-D122 PolarHBondContact OG-N 3.14Å
121K93.1Very high93.6Very high110 Ų11053.6 Ų53.648%0.47829%0.291SS..  trans-103.624.8172.8-63.5-174.5179.8-177.40111.7S44 W48 N119S44-K121 PolarHBondContact OG-NZ 3.43Å; W48-K121 HydrophobicContact CB-CD 4.11Å; W48-K121 HydrophobicContact CB-CG 4.27Å; W48-K121 HydrophobicContact CD2-CB 3.83Å; W48-K121 HydrophobicContact CD2-CD 4.41Å; W48-K121 HydrophobicContact CD2-CG 3.77Å; W48-K121 HydrophobicContact CE3-CB 4.4Å; W48-K121 HydrophobicContact CE3-CG 4.19Å; W48-K121 HydrophobicContact CG-CB 4.08Å; W48-K121 HydrophobicContact CG-CD 3.87Å; W48-K121 HydrophobicContact CG-CG 3.75Å; W48-K121 HydrophobicContact CZ2-CB 4.17Å; W48-K121 WeakPolarHBondContact CZ2-O 3.48Å; N119-K121 PolarHBondContact O-N 3Å
122D93Very high93.8Very high81 Ų8151.5 Ų51.543%0.43328%0.281SS..  trans-116.7114.9-177.5-177.2-18.9000109.1S120 Q124 C125 L126S120-D122 VanDerWaalsContact C-N 3.34Å; S120-D122 PolarHBondContact OG-N 3.14Å; D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 2.96Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.49Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.37Å; D122-Q124 PolarHBondContact OD1-N 3.3Å; D122-C125 HydrophobicContact CB-CB 3.8Å; D122-C125 PolarHBondContact O-N 2.93Å; D122-C125 PolarHBondContact OD1-N 2.74Å; D122-L126 WeakPolarHBondContact O-CG 3.36Å; D122-L126 PolarHBondContact O-N 2.94Å
123L93.9Very high94Very high12 Ų1246.2 Ų46.26%0.06325%0.253CS..Hα-helixtrans-66.3-33.5-179.7-70.4170.9000112.3W48 W49 Q52 L126 S127 I169 C172 E173 N176W48-L123 HydrophobicContact CH2-CD2 3.87Å; W48-L123 HydrophobicContact CH2-CG 4.18Å; W48-L123 HydrophobicContact CZ2-CD2 4.27Å; W48-L123 HydrophobicContact CZ2-CG 4.15Å; W49-L123 HydrophobicContact CZ3-CD2 4.18Å; Q52-L123 HydrophobicContact CG-CD2 4.49Å; L123-L126 PolarHBondContact O-N 2.88Å; L123-S127 WeakPolarHBondContact O-CB 3.36Å; L123-S127 PolarHBondContact O-N 3.25Å; L123-S127 PolarHBondContact O-OG 3.48Å; L123-I169 HydrophobicContact CD2-CG2 4.48Å; L123-C172 HydrophobicContact CD1-CB 4.22Å; L123-C172 HydrophobicContact CD2-CB 3.94Å; L123-E173 HydrophobicContact CB-CB 4.07Å; L123-E173 HydrophobicContact CB-CG 4.29Å; L123-N176 HydrophobicContact CD1-CB 4Å
124Q94.1Very high94.2Very high117 Ų11746 Ų4655%0.54725%0.252SS..Hα-helixtrans-69.4-39.2177.4-171.5-178.33.800110.9D122 S127 T128D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 2.96Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.49Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.37Å; D122-Q124 PolarHBondContact OD1-N 3.3Å; Q124-S127 WeakPolarHBondContact CA-OG 3.27Å; Q124-S127 PolarHBondContact O-N 3.44Å; Q124-S127 PolarHBondContact O-OG 3.31Å; Q124-T128 VanDerWaalsContact O-CB 3.31Å; Q124-T128 WeakPolarHBondContact O-CB 3.45Å; Q124-T128 PolarHBondContact O-N 3.49Å; Q124-T128 PolarHBondContact O-OG1 2.87Å
125C93.8Very high94.4Very high45 Ų4549 Ų4930%0.30427%0.265SS..Hα-helixtrans-63.1-45.1174.2-175.60000111.2D122 T129D122-C125 HydrophobicContact CB-CB 3.8Å; D122-C125 PolarHBondContact O-N 2.93Å; D122-C125 PolarHBondContact OD1-N 2.74Å; C125-T129 WeakPolarHBondContact O-CB 3.47Å; C125-T129 PolarHBondContact O-N 3.47Å; C125-T129 PolarHBondContact O-OG1 3.44Å
126L95Very high94.6Very high3 Ų346.5 Ų46.52%0.01625%0.249CC..Hα-helixtrans-64.9-42.6176.3-70.8164.4000112W48 V116 Y117 D122 L123 T129 S130 I169W48-L126 HydrophobicContact CH2-CD1 3.61Å; W48-L126 HydrophobicContact CZ3-CD1 3.73Å; V116-L126 HydrophobicContact CG1-CD2 3.97Å; V116-L126 HydrophobicContact CG1-CG 4.5Å; Y117-L126 HydrophobicContact CD1-CD2 3.54Å; Y117-L126 HydrophobicContact CE1-CD2 3.96Å; Y117-L126 HydrophobicContact CG-CD2 4.22Å; D122-L126 WeakPolarHBondContact O-CG 3.36Å; D122-L126 PolarHBondContact O-N 2.94Å; L123-L126 PolarHBondContact O-N 2.88Å; L126-T129 PolarHBondContact O-N 3.08Å; L126-S130 WeakPolarHBondContact O-CB 3.32Å; L126-S130 PolarHBondContact O-N 3.31Å; L126-S130 PolarHBondContact O-OG 2.84Å; L126-I169 HydrophobicContact CB-CD1 4.43Å; L126-I169 HydrophobicContact CB-CG2 3.61Å
127S95.5Very high94.7Very high6 Ų645.1 Ų45.14%0.04224%0.241CC..Hα-helixtrans-65.8-45.6-179.467.90000110.6L123 Q124 T129 S130 L131 F166 E173L123-S127 WeakPolarHBondContact O-CB 3.36Å; L123-S127 PolarHBondContact O-N 3.25Å; L123-S127 PolarHBondContact O-OG 3.48Å; Q124-S127 WeakPolarHBondContact CA-OG 3.27Å; Q124-S127 PolarHBondContact O-N 3.44Å; Q124-S127 PolarHBondContact O-OG 3.31Å; S127-T129 VanDerWaalsContact C-N 3.34Å; S127-T129 PolarHBondContact O-N 3.39Å; S127-S130 WeakPolarHBondContact O-CB 3.31Å; S127-S130 PolarHBondContact O-N 3.46Å; S127-L131 WeakPolarHBondContact O-CB 3.37Å; S127-L131 PolarHBondContact O-N 3.13Å; S127-F166 WeakPolarHBondContact O-CD2 3.23Å; S127-E173 WeakPolarHBondContact CB-OE2 3.08Å; S127-E173 PolarHBondContact OG-OE2 2.73Å
128T96.1Very high94.9Very high74 Ų7442.6 Ų42.645%0.45424%0.235SC..Hα-helixtrans-62.8-39.5177.2-54.90000112.3Q124 L131 S132Q124-T128 VanDerWaalsContact O-CB 3.31Å; Q124-T128 WeakPolarHBondContact O-CB 3.45Å; Q124-T128 PolarHBondContact O-N 3.49Å; Q124-T128 PolarHBondContact O-OG1 2.87Å; T128-L131 PolarHBondContact O-N 2.89Å; T128-S132 PolarHBondContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 2.85Å
129T96.2Very high95.1Very high26 Ų2644.8 Ų44.816%0.1625%0.249CC..Hα-helixtrans-65.4-44175.4-60.60000111.2S113 V116 Y117 C125 L126 S127 L131 S132 L133S113-T129 VanDerWaalsContact CB-CG2 3.42Å; V116-T129 HydrophobicContact CG1-CG2 4.49Å; Y117-T129 HydrophobicContact CE2-CG2 4.11Å; C125-T129 WeakPolarHBondContact O-CB 3.47Å; C125-T129 PolarHBondContact O-N 3.47Å; C125-T129 PolarHBondContact O-OG1 3.44Å; L126-T129 PolarHBondContact O-N 3.08Å; S127-T129 VanDerWaalsContact C-N 3.34Å; S127-T129 PolarHBondContact O-N 3.39Å; T129-L131 VanDerWaalsContact C-N 3.34Å; T129-L131 PolarHBondContact O-N 3.21Å; T129-S132 PolarHBondContact O-N 3.22Å; T129-L133 PolarHBondContact O-N 3.15Å; T129-L133 VanDerWaalsContact O-N 3.07Å
130S95.9Very high95.2Very high1 Ų140.1 Ų40.11%0.00722%0.224CC..Hα-helixtrans-62.8-41176.5-53.70000112.1Y117 L126 S127 S132 L133 S134 F166 I169Y117-S130 PolarHBondContact OH-OG 3.41Å; L126-S130 WeakPolarHBondContact O-CB 3.32Å; L126-S130 PolarHBondContact O-N 3.31Å; L126-S130 PolarHBondContact O-OG 2.84Å; S127-S130 WeakPolarHBondContact O-CB 3.31Å; S127-S130 PolarHBondContact O-N 3.46Å; S130-S132 VanDerWaalsContact C-N 3.32Å; S130-S132 PolarHBondContact O-N 2.83Å; S130-L133 PolarHBondContact O-N 2.9Å; S130-S134 WeakPolarHBondContact O-CB 3.37Å; S130-S134 PolarHBondContact O-N 3.03Å; S130-F166 VanDerWaalsContact CB-CA 3.43Å; S130-I169 WeakPolarHBondContact OG-CD1 3.47Å
131L97.5Very high95.4Very high63 Ų6339.3 Ų39.333%0.3322%0.219SC..Hα-helixtrans-61.4-43.5176.2-179.859000110.7S127 T128 T129 L133 S134 L135 F166S127-L131 WeakPolarHBondContact O-CB 3.37Å; S127-L131 PolarHBondContact O-N 3.13Å; T128-L131 PolarHBondContact O-N 2.89Å; T129-L131 VanDerWaalsContact C-N 3.34Å; T129-L131 PolarHBondContact O-N 3.21Å; L131-L133 PolarHBondContact O-N 3.27Å; L131-S134 PolarHBondContact O-N 3.48Å; L131-L135 HydrophobicContact CD1-CD1 4.12Å; L131-L135 HydrophobicContact CD1-CG 4.09Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 HydrophobicContact CG-CG 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.79Å; L131-F166 HydrophobicContact CB-CD2 3.68Å; L131-F166 HydrophobicContact CB-CE2 3.8Å; L131-F166 HydrophobicContact CB-CG 4.22Å; L131-F166 HydrophobicContact CB-CZ 4.44Å; L131-F166 HydrophobicContact CD1-CD1 4.16Å; L131-F166 HydrophobicContact CD1-CD2 4.38Å; L131-F166 HydrophobicContact CD1-CE1 3.95Å; L131-F166 HydrophobicContact CD1-CE2 4.18Å; L131-F166 HydrophobicContact CD1-CG 4.36Å; L131-F166 HydrophobicContact CD1-CZ 3.96Å; L131-F166 HydrophobicContact CD2-CE2 4.32Å; L131-F166 HydrophobicContact CD2-CZ 4.42Å; L131-F166 HydrophobicContact CG-CE2 4.32Å
132S96.7Very high95.5Very high46 Ų4638.4 Ų38.432%0.32222%0.223SC..Hα-helixtrans-62.8-42.8178.7-58.80000111.8T128 T129 S130 L135 T136T128-S132 PolarHBondContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 2.85Å; T129-S132 PolarHBondContact O-N 3.22Å; S130-S132 VanDerWaalsContact C-N 3.32Å; S130-S132 PolarHBondContact O-N 2.83Å; S132-L135 PolarHBondContact O-N 3.42Å; S132-T136 WeakPolarHBondContact O-CB 3.48Å; S132-T136 WeakPolarHBondContact O-CG2 3.35Å; S132-T136 PolarHBondContact O-N 2.92Å; S132-T136 PolarHBondContact O-OG1 3.48Å
133L95.8Very high95.5Very high13 Ų1334.9 Ų34.97%0.06820%0.204CC..Hα-helixtrans-62.2-42.5172.9-74166.9000112L106 C109 Y117 T129 S130 L131 T136 S137 C162L106-L133 HydrophobicContact CD1-CD2 4.17Å; C109-L133 HydrophobicContact CB-CD2 3.74Å; C109-L133 HydrophobicContact CB-CG 4.32Å; Y117-L133 HydrophobicContact CE2-CD1 3.9Å; T129-L133 PolarHBondContact O-N 3.15Å; T129-L133 VanDerWaalsContact O-N 3.07Å; S130-L133 PolarHBondContact O-N 2.9Å; L131-L133 PolarHBondContact O-N 3.27Å; L133-T136 PolarHBondContact O-OG1 3.07Å; L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 3.17Å; L133-S137 PolarHBondContact O-OG 2.82Å; L133-C162 HydrophobicContact CB-CB 4.28Å
134S96.8Very high95.6Very high9 Ų934.7 Ų34.76%0.06320%0.203CC..Hα-helixtrans-64.1-45.1177.2179.80000112.1S130 L131 S137 G138 F159 A163S130-S134 WeakPolarHBondContact O-CB 3.37Å; S130-S134 PolarHBondContact O-N 3.03Å; L131-S134 PolarHBondContact O-N 3.48Å; S134-S137 WeakPolarHBondContact CA-OG 3.4Å; S134-S137 PolarHBondContact O-OG 2.84Å; S134-G138 PolarHBondContact O-N 2.71Å; S134-F159 VanDerWaalsContact O-CD2 3.3Å; S134-F159 WeakPolarHBondContact O-CD2 3.41Å; S134-A163 WeakPolarHBondContact OG-CA 3.09Å; S134-A163 WeakPolarHBondContact OG-CB 3.34Å
135L96.4Very high95.6Very high104 Ų10434 Ų3455%0.54520%0.196SC..Hα-helixtrans-67.1-43.4-179.6-70.7174.4000112L131 S132 T139L131-L135 HydrophobicContact CD1-CD1 4.12Å; L131-L135 HydrophobicContact CD1-CG 4.09Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 HydrophobicContact CG-CG 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.79Å; S132-L135 PolarHBondContact O-N 3.42Å; L135-T139 WeakPolarHBondContact O-CB 3.32Å; L135-T139 PolarHBondContact O-N 2.7Å; L135-T139 PolarHBondContact O-OG1 3.42Å
136T94.9Very high95.5Very high21 Ų2135.9 Ų35.913%0.12920%0.203CC..Hα-helixtrans-66.7-44178.650.10000111.8A105 L106 S132 L133 T139 L140A105-T136 HydrophobicContact CB-CG2 3.85Å; L106-T136 WeakPolarHBondContact CD1-OG1 3.17Å; S132-T136 WeakPolarHBondContact O-CB 3.48Å; S132-T136 WeakPolarHBondContact O-CG2 3.35Å; S132-T136 PolarHBondContact O-N 2.92Å; S132-T136 PolarHBondContact O-OG1 3.48Å; L133-T136 PolarHBondContact O-OG1 3.07Å; T136-T139 PolarHBondContact O-N 2.72Å; T136-L140 WeakPolarHBondContact O-CB 3.44Å; T136-L140 PolarHBondContact O-N 3.41Å
137S95.1Very high95.3Very high1 Ų136.2 Ų36.21%0.00721%0.205CC..Hα-helixtrans-66-39.9175.556.60000112.9L133 S134 L140 A141 F159L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 3.17Å; L133-S137 PolarHBondContact O-OG 2.82Å; S134-S137 WeakPolarHBondContact CA-OG 3.4Å; S134-S137 PolarHBondContact O-OG 2.84Å; S137-L140 PolarHBondContact O-N 2.85Å; S137-A141 WeakPolarHBondContact O-CB 3.34Å; S137-A141 PolarHBondContact O-N 3.49Å; S137-F159 WeakPolarHBondContact OG-CA 3.49Å
138G96.7Very high95.2Very high13 Ų1336 Ų3613%0.13420%0.204CC..Hα-helixtrans-64.1-44.217500000112.3S134 L140 A141 V142S134-G138 PolarHBondContact O-N 2.71Å; G138-L140 VanDerWaalsContact C-N 3.33Å; G138-L140 PolarHBondContact O-N 3.36Å; G138-A141 PolarHBondContact O-N 3.26Å; G138-V142 WeakPolarHBondContact O-CG2 3.19Å; G138-V142 PolarHBondContact O-N 3.29Å
139T95Very high95.1Very high67 Ų6739.2 Ų39.241%0.41121%0.207SC..Hα-helixtrans-62.3-41.8175.9-56.90000111.2I98 L135 T136 S143I98-T139 HydrophobicContact CG2-CG2 4.08Å; L135-T139 WeakPolarHBondContact O-CB 3.32Å; L135-T139 PolarHBondContact O-N 2.7Å; L135-T139 PolarHBondContact O-OG1 3.42Å; T136-T139 PolarHBondContact O-N 2.72Å; T139-S143 WeakPolarHBondContact O-CB 3.34Å; T139-S143 PolarHBondContact O-N 2.97Å; T139-S143 PolarHBondContact O-OG 3.38Å
140L95.2Very high95Very high7 Ų738.2 Ų38.24%0.03720%0.202CC..Hα-helixtrans-62.8-46.1175.2-178.762.6000111.1A99 L106 T136 S137 G138 V142 S143 L144 I155A99-L140 HydrophobicContact CB-CD1 4.42Å; A99-L140 WeakPolarHBondContact O-CD1 3.46Å; L106-L140 HydrophobicContact CD2-CD2 3.66Å; T136-L140 WeakPolarHBondContact O-CB 3.44Å; T136-L140 PolarHBondContact O-N 3.41Å; S137-L140 PolarHBondContact O-N 2.85Å; G138-L140 VanDerWaalsContact C-N 3.33Å; G138-L140 PolarHBondContact O-N 3.36Å; L140-V142 PolarHBondContact O-N 2.94Å; L140-S143 PolarHBondContact O-N 3.26Å; L140-L144 HydrophobicContact CD1-CD1 4.06Å; L140-L144 HydrophobicContact CD1-CD2 4.3Å; L140-L144 HydrophobicContact CD1-CG 3.86Å; L140-L144 HydrophobicContact CG-CD1 4.12Å; L140-L144 HydrophobicContact CG-CG 4.23Å; L140-L144 WeakPolarHBondContact O-CB 3.33Å; L140-L144 WeakPolarHBondContact O-CG 3.42Å; L140-L144 PolarHBondContact O-N 3.46Å; L140-I155 HydrophobicContact CD2-CD1 4.4Å
141A96.1Very high95Very high6 Ų638.2 Ų38.25%0.0520%0.202CC..Hα-helixtrans-57.4-47.5178.700000111.9S137 G138 Y145 G152 I155S137-A141 WeakPolarHBondContact O-CB 3.34Å; S137-A141 PolarHBondContact O-N 3.49Å; G138-A141 PolarHBondContact O-N 3.26Å; A141-Y145 VanDerWaalsContact O-CB 3.29Å; A141-Y145 WeakPolarHBondContact O-CB 3.22Å; A141-Y145 PolarHBondContact O-N 2.89Å; A141-G152 VanDerWaalsContact O-CA 3.31Å; A141-G152 WeakPolarHBondContact O-CA 3.42Å; A141-I155 HydrophobicContact CB-CB 3.89Å; A141-I155 HydrophobicContact CB-CG2 3.77Å
142V95.5Very high94.9Very high92 Ų9235.3 Ų35.356%0.55819%0.187SC*.Hα-helixtrans-64.7-43.3178.5172.70000111.3G138 L140 Y145 N146G138-V142 WeakPolarHBondContact O-CG2 3.19Å; G138-V142 PolarHBondContact O-N 3.29Å; L140-V142 PolarHBondContact O-N 2.94Å; V142-Y145 PolarHBondContact O-N 2.83Å; V142-N146 PolarHBondContact O-N 2.89Å; V142-N146 VanDerWaalsContact O-N 3.07Å; V142-N146 PolarHBondContact O-ND2 3.28Å; V142-N146 VanDerWaalsContact O-ND2 3.16Å
143S93.8Very high94.8Very high7 Ų736.3 Ų36.35%0.04919%0.188CC..Hα-helixtrans-65.3-44.6-179.7-55.90000111.3I98 T139 L140 N146 I147I98-S143 WeakPolarHBondContact CG2-OG 3.41Å; T139-S143 WeakPolarHBondContact O-CB 3.34Å; T139-S143 PolarHBondContact O-N 2.97Å; T139-S143 PolarHBondContact O-OG 3.38Å; L140-S143 PolarHBondContact O-N 3.26Å; S143-N146 PolarHBondContact O-N 3.41Å; S143-I147 PolarHBondContact O-N 3.48Å
144L94.9Very high94.8Very high7 Ų738.2 Ų38.24%0.03720%0.198CC..Hα-helixtrans-66.3-39.3174.9-68.2-169.6000111.7A81 A85 A99 L140 N146 I147 N148 A151 I155A81-L144 HydrophobicContact CB-CD1 4.03Å; A85-L144 HydrophobicContact CB-CD2 3.66Å; A99-L144 HydrophobicContact CB-CD2 3.8Å; L140-L144 HydrophobicContact CD1-CD1 4.06Å; L140-L144 HydrophobicContact CD1-CD2 4.3Å; L140-L144 HydrophobicContact CD1-CG 3.86Å; L140-L144 HydrophobicContact CG-CD1 4.12Å; L140-L144 HydrophobicContact CG-CG 4.23Å; L140-L144 WeakPolarHBondContact O-CB 3.33Å; L140-L144 WeakPolarHBondContact O-CG 3.42Å; L140-L144 PolarHBondContact O-N 3.46Å; L144-N146 PolarHBondContact O-N 2.8Å; L144-I147 HydrophobicContact CD2-CD1 4.26Å; L144-I147 CarbonylContact O-C 3.39Å; L144-I147 WeakPolarHBondContact O-CA 3.33Å; L144-I147 PolarHBondContact O-N 2.82Å; L144-N148 CarbonylContact C-O 3.53Å; L144-N148 CarbonylContact O-C 3.58Å; L144-N148 PolarHBondContact O-N 3.11Å; L144-A151 HydrophobicContact CB-CB 4.05Å; L144-A151 HydrophobicContact CD1-CB 4.37Å; L144-I155 HydrophobicContact CD1-CD1 4.19Å; L144-I155 HydrophobicContact CD1-CG1 3.71Å
145Y94.4Very high94.8Very high102 Ų10237.8 Ų37.840%0.420%0.195SC..Hα-helixtrans-58.7-37175.8-168.1-91.8000111.9A141 V142 I147 R149 I153A141-Y145 VanDerWaalsContact O-CB 3.29Å; A141-Y145 WeakPolarHBondContact O-CB 3.22Å; A141-Y145 PolarHBondContact O-N 2.89Å; V142-Y145 PolarHBondContact O-N 2.83Å; Y145-I147 VanDerWaalsContact C-N 3.27Å; Y145-I147 PolarHBondContact O-N 3.36Å; Y145-R149 HydrophobicContact CD1-CG 4.43Å; Y145-R149 HydrophobicContact CD2-CB 4.25Å; Y145-R149 HydrophobicContact CD2-CG 4.38Å; Y145-R149 WeakPolarHBondContact CD2-O 3.37Å; Y145-R149 HydrophobicContact CE1-CG 3.99Å; Y145-R149 HydrophobicContact CE2-CB 3.91Å; Y145-R149 HydrophobicContact CE2-CG 3.94Å; Y145-I153 HydrophobicContact CD2-CG1 4.22Å; Y145-I153 HydrophobicContact CE2-CD1 4.19Å; Y145-I153 HydrophobicContact CE2-CG1 4Å
146N91.7Very high94.8Very high85 Ų8536.3 Ų36.346%0.45519%0.188SC..THydrogen-bonded Turntrans-72.8-13.5174.3-77.6-44000113.8R92 A95 V142 S143 L144R92-N146 WeakPolarHBondContact CD-O 3.3Å; R92-N146 PolarHBondContact NH1-O 3.44Å; A95-N146 HydrophobicContact CB-CB 4.26Å; V142-N146 PolarHBondContact O-N 2.89Å; V142-N146 VanDerWaalsContact O-N 3.07Å; V142-N146 PolarHBondContact O-ND2 3.28Å; V142-N146 VanDerWaalsContact O-ND2 3.16Å; S143-N146 PolarHBondContact O-N 3.41Å; L144-N146 PolarHBondContact O-N 2.8Å
147I91.5Very high94.8Very high10 Ų1038.4 Ų38.45%0.05120%0.202CC..THydrogen-bonded Turntrans-95.2-55172.2-65.3166.1000109A85 Q88 T90 A95 A96 A99 S143 L144 Y145A85-I147 HydrophobicContact CB-CG2 4.09Å; Q88-I147 HydrophobicContact CB-CG2 4.02Å; Q88-I147 HydrophobicContact CG-CG2 4.12Å; T90-I147 HydrophobicContact CG2-CG2 4.18Å; A95-I147 HydrophobicContact CB-CD1 4.42Å; A95-I147 HydrophobicContact CB-CG1 3.89Å; A96-I147 HydrophobicContact CB-CD1 4.3Å; A99-I147 HydrophobicContact CB-CD1 3.86Å; S143-I147 PolarHBondContact O-N 3.48Å; L144-I147 HydrophobicContact CD2-CD1 4.26Å; L144-I147 CarbonylContact O-C 3.39Å; L144-I147 WeakPolarHBondContact O-CA 3.33Å; L144-I147 PolarHBondContact O-N 2.82Å; Y145-I147 VanDerWaalsContact C-N 3.27Å; Y145-I147 PolarHBondContact O-N 3.36Å
148N92.8Very high94.8Very high3 Ų338.4 Ų38.42%0.01620%0.202CC..  trans-143.7118-175.6179.8-61.1000108.8G8 Q88 L144 A150 A151 G152G8-N148 PolarHBondContact O-ND2 2.69Å; Q88-N148 PolarHBondContact OE1-ND2 3.18Å; L144-N148 CarbonylContact C-O 3.53Å; L144-N148 CarbonylContact O-C 3.58Å; L144-N148 PolarHBondContact O-N 3.11Å; N148-A150 VanDerWaalsContact C-N 3.32Å; N148-A150 PolarHBondContact O-N 2.91Å; N148-A150 WeakPolarHBondContact OD1-CA 3.46Å; N148-A150 WeakPolarHBondContact OD1-CB 3.46Å; N148-A150 PolarHBondContact OD1-N 3.38Å; N148-A150 VanDerWaalsContact OD1-N 3.08Å; N148-A151 HydrophobicContact CB-CB 3.8Å; N148-A151 WeakPolarHBondContact O-CB 3.16Å; N148-A151 PolarHBondContact O-N 3.18Å; N148-A151 VanDerWaalsContact O-N 3.09Å; N148-A151 PolarHBondContact OD1-N 2.94Å; N148-G152 PolarHBondContact O-N 2.75Å; N148-G152 VanDerWaalsContact O-N 3.08Å
149R93.4Very high94.8Very high140 Ų14040.9 Ų40.953%0.52821%0.209SC..Hα-helixtrans-59.8-42.7-174.8-72.4-177.4174.4175.1-2.7112L7 Y145 A151 G152 I153L7-R149 WeakPolarHBondContact O-CB 3.3Å; Y145-R149 HydrophobicContact CD1-CG 4.43Å; Y145-R149 HydrophobicContact CD2-CB 4.25Å; Y145-R149 HydrophobicContact CD2-CG 4.38Å; Y145-R149 WeakPolarHBondContact CD2-O 3.37Å; Y145-R149 HydrophobicContact CE1-CG 3.99Å; Y145-R149 HydrophobicContact CE2-CB 3.91Å; Y145-R149 HydrophobicContact CE2-CG 3.94Å; R149-A151 VanDerWaalsContact C-N 3.32Å; R149-A151 PolarHBondContact O-N 3.28Å; R149-G152 PolarHBondContact O-N 2.76Å; R149-I153 WeakPolarHBondContact O-CD1 3.49Å; R149-I153 VanDerWaalsContact O-CG1 3.28Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 2.78Å
150A94.8Very high94.9Very high6 Ų642.8 Ų42.85%0.0522%0.216CC..Hα-helixtrans-60.6-42.2176.800000111.5L7 I9 F84 N148 G152 I153 L154L7-A150 HydrophobicContact CB-CB 4.21Å; L7-A150 WeakPolarHBondContact O-CB 3.5Å; L7-A150 PolarHBondContact O-N 2.86Å; I9-A150 HydrophobicContact CD1-CB 4.44Å; I9-A150 HydrophobicContact CG1-CB 3.63Å; F84-A150 HydrophobicContact CD2-CB 3.93Å; F84-A150 HydrophobicContact CE2-CB 4.24Å; N148-A150 VanDerWaalsContact C-N 3.32Å; N148-A150 PolarHBondContact O-N 2.91Å; N148-A150 WeakPolarHBondContact OD1-CA 3.46Å; N148-A150 WeakPolarHBondContact OD1-CB 3.46Å; N148-A150 PolarHBondContact OD1-N 3.38Å; N148-A150 VanDerWaalsContact OD1-N 3.08Å; A150-G152 PolarHBondContact O-N 3.01Å; A150-I153 PolarHBondContact O-N 2.95Å; A150-L154 WeakPolarHBondContact O-CB 3.38Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 2.97Å
151A95Very high95Very high0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-59.6-47.3176.500000112A81 F84 A85 L144 N148 R149 I153 L154 I155A81-A151 HydrophobicContact CB-CB 4.27Å; A81-A151 WeakPolarHBondContact CB-O 3.35Å; A81-A151 VanDerWaalsContact O-CB 3.23Å; A81-A151 WeakPolarHBondContact O-CB 3.38Å; F84-A151 HydrophobicContact CB-CB 4.19Å; A85-A151 HydrophobicContact CB-CB 4.23Å; L144-A151 HydrophobicContact CB-CB 4.05Å; L144-A151 HydrophobicContact CD1-CB 4.37Å; N148-A151 HydrophobicContact CB-CB 3.8Å; N148-A151 WeakPolarHBondContact O-CB 3.16Å; N148-A151 PolarHBondContact O-N 3.18Å; N148-A151 VanDerWaalsContact O-N 3.09Å; N148-A151 PolarHBondContact OD1-N 2.94Å; R149-A151 VanDerWaalsContact C-N 3.32Å; R149-A151 PolarHBondContact O-N 3.28Å; A151-I153 PolarHBondContact O-N 2.83Å; A151-L154 PolarHBondContact O-N 3.49Å; A151-I155 PolarHBondContact O-N 2.81Å
152G95.5Very high95Very high2 Ų243.6 Ų43.62%0.02122%0.219CC..Hα-helixtrans-61-42.6176.300000113.2A141 N148 R149 A150 L154 I155 L156A141-G152 VanDerWaalsContact O-CA 3.31Å; A141-G152 WeakPolarHBondContact O-CA 3.42Å; N148-G152 PolarHBondContact O-N 2.75Å; N148-G152 VanDerWaalsContact O-N 3.08Å; R149-G152 PolarHBondContact O-N 2.76Å; A150-G152 PolarHBondContact O-N 3.01Å; G152-L154 VanDerWaalsContact C-N 3.31Å; G152-L154 PolarHBondContact O-N 3.26Å; G152-I155 PolarHBondContact O-N 3.46Å; G152-L156 PolarHBondContact O-N 3.05Å
153I96.1Very high95.1Very high68 Ų6840.1 Ų40.135%0.34920%0.2SC..Hα-helixtrans-62.9-38.5177.9-69.1164.7000111.2L7 Y145 R149 A150 A151 I155 L156L7-I153 HydrophobicContact CD2-CD1 3.94Å; Y145-I153 HydrophobicContact CD2-CG1 4.22Å; Y145-I153 HydrophobicContact CE2-CD1 4.19Å; Y145-I153 HydrophobicContact CE2-CG1 4Å; R149-I153 WeakPolarHBondContact O-CD1 3.49Å; R149-I153 VanDerWaalsContact O-CG1 3.28Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 2.78Å; A150-I153 PolarHBondContact O-N 2.95Å; A151-I153 PolarHBondContact O-N 2.83Å; I153-I155 PolarHBondContact O-N 3.49Å; I153-L156 WeakPolarHBondContact O-CB 3.4Å; I153-L156 PolarHBondContact O-N 3.37Å; I153-L156 VanDerWaalsContact O-N 3.11Å
154L96.1Very high95.3Very high52 Ų5241.9 Ų41.927%0.27221%0.205SC..Hα-helixtrans-66.3-20.8179.6-76.5168.6000113.9A80 A81 F84 A150 A151 G152A80-L154 HydrophobicContact CB-CD1 3.85Å; A81-L154 HydrophobicContact CB-CB 3.8Å; A81-L154 HydrophobicContact CB-CD1 4.39Å; F84-L154 HydrophobicContact CD2-CD1 3.81Å; F84-L154 HydrophobicContact CE2-CD1 3.6Å; F84-L154 HydrophobicContact CZ-CD1 4.37Å; A150-L154 WeakPolarHBondContact O-CB 3.38Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 2.97Å; A151-L154 PolarHBondContact O-N 3.49Å; G152-L154 VanDerWaalsContact C-N 3.31Å; G152-L154 PolarHBondContact O-N 3.26Å
155I95.9Very high95.4Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-86.6-19.4174-57.1-59.1000112.4I78 A81 L140 A141 L144 A151 G152 I153 P157 S158 F159I78-I155 HydrophobicContact CB-CD1 4.24Å; I78-I155 HydrophobicContact CG1-CD1 3.77Å; I78-I155 HydrophobicContact CG2-CD1 4.42Å; A81-I155 HydrophobicContact CB-CD1 3.56Å; A81-I155 HydrophobicContact CB-CG1 3.88Å; L140-I155 HydrophobicContact CD2-CD1 4.4Å; A141-I155 HydrophobicContact CB-CB 3.89Å; A141-I155 HydrophobicContact CB-CG2 3.77Å; L144-I155 HydrophobicContact CD1-CD1 4.19Å; L144-I155 HydrophobicContact CD1-CG1 3.71Å; A151-I155 PolarHBondContact O-N 2.81Å; G152-I155 PolarHBondContact O-N 3.46Å; I153-I155 PolarHBondContact O-N 3.49Å; I155-P157 VanDerWaalsContact C-CD 3.46Å; I155-P157 VanDerWaalsContact C-N 3.33Å; I155-S158 WeakPolarHBondContact O-CB 3.44Å; I155-S158 PolarHBondContact O-N 3.38Å; I155-S158 PolarHBondContact O-OG 3.4Å; I155-F159 PolarHBondContact O-N 3.22Å; I155-F159 VanDerWaalsContact O-N 3.1Å
156L96Very high95.5Very high74 Ų7439 Ų3939%0.38720%0.195SC..Hα-helixtrans-53.6-41.4-176.6-73174.7000113.7G152 I153 S158 F159 L160G152-L156 PolarHBondContact O-N 3.05Å; I153-L156 WeakPolarHBondContact O-CB 3.4Å; I153-L156 PolarHBondContact O-N 3.37Å; I153-L156 VanDerWaalsContact O-N 3.11Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 3.24Å; L156-F159 HydrophobicContact CD2-CD1 4.49Å; L156-F159 PolarHBondContact O-N 2.79Å; L156-L160 WeakPolarHBondContact O-CB 3.5Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.04Å
157P96Very high95.8Very high65 Ų6539.2 Ų39.242%0.42220%0.196SC..Hα-helixtrans-57.7-41.2175-26.736.7000113.5I155 W161I155-P157 VanDerWaalsContact C-CD 3.46Å; I155-P157 VanDerWaalsContact C-N 3.33Å; P157-W161 VanDerWaalsContact O-CB 3.24Å; P157-W161 WeakPolarHBondContact O-CB 3.31Å; P157-W161 PolarHBondContact O-N 3.33Å
158S95.1Very high96.1Very high1 Ų138.7 Ų38.71%0.00719%0.194CC..Hα-helixtrans-61.8-49.4175.4-36.80000110.9S74 I155 L156 W161 C162S74-S158 WeakPolarHBondContact O-CB 3.35Å; S74-S158 PolarHBondContact O-N 3.06Å; S74-S158 PolarHBondContact O-OG 2.98Å; I155-S158 WeakPolarHBondContact O-CB 3.44Å; I155-S158 PolarHBondContact O-N 3.38Å; I155-S158 PolarHBondContact O-OG 3.4Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 3.24Å; S158-W161 PolarHBondContact O-N 3.44Å; S158-C162 PolarHBondContact O-N 2.98Å; S158-C162 PolarHBondContact O-SG 3.24Å
159F96.8Very high96.2Very high64 Ų6438.8 Ų38.828%0.28119%0.194SC..Hα-helixtrans-59.7-50.1179.8165.6-113.5000112.3S134 S137 I155 L156 W161 C162 A163S134-F159 VanDerWaalsContact O-CD2 3.3Å; S134-F159 WeakPolarHBondContact O-CD2 3.41Å; S137-F159 WeakPolarHBondContact OG-CA 3.49Å; I155-F159 PolarHBondContact O-N 3.22Å; I155-F159 VanDerWaalsContact O-N 3.1Å; L156-F159 HydrophobicContact CD2-CD1 4.49Å; L156-F159 PolarHBondContact O-N 2.79Å; F159-W161 VanDerWaalsContact C-N 3.29Å; F159-W161 PolarHBondContact O-N 3.21Å; F159-C162 PolarHBondContact O-N 3.36Å; F159-A163 HydrophobicContact CE2-CB 4.42Å; F159-A163 VanDerWaalsContact O-CB 3.29Å; F159-A163 WeakPolarHBondContact O-CB 3.36Å; F159-A163 PolarHBondContact O-N 2.84Å
160L97.4Very high96.4Very high108 Ų10837.2 Ų37.257%0.56519%0.189SC*.Hα-helixtrans-62.8-38.9-178.8-69.5173.9000111.5L156 Y164L156-L160 WeakPolarHBondContact O-CB 3.5Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.04Å; L160-Y164 WeakPolarHBondContact O-CB 3.44Å; L160-Y164 PolarHBondContact O-N 3.27Å
161W96.8Very high96.4Very high20 Ų2037.5 Ų37.58%0.07619%0.193CC..Hα-helixtrans-67.1-47.3176.7-179.8-118.6000112.1L60 L70 D71 P157 S158 F159 A163 Y164 C165L60-W161 HydrophobicContact CB-CH2 4.35Å; L60-W161 HydrophobicContact CB-CZ3 4.17Å; L70-W161 HydrophobicContact CB-CD2 3.96Å; L70-W161 HydrophobicContact CB-CE3 3.94Å; L70-W161 HydrophobicContact CB-CH2 3.71Å; L70-W161 HydrophobicContact CB-CZ2 3.71Å; L70-W161 HydrophobicContact CB-CZ3 3.83Å; L70-W161 HydrophobicContact CD1-CE3 3.98Å; L70-W161 HydrophobicContact CD1-CH2 3.58Å; L70-W161 HydrophobicContact CD1-CZ2 4.44Å; L70-W161 HydrophobicContact CD1-CZ3 3.3Å; L70-W161 HydrophobicContact CG-CH2 4.29Å; L70-W161 HydrophobicContact CG-CZ3 4.19Å; D71-W161 PolarHBondContact OD1-NE1 2.81Å; P157-W161 VanDerWaalsContact O-CB 3.24Å; P157-W161 WeakPolarHBondContact O-CB 3.31Å; P157-W161 PolarHBondContact O-N 3.33Å; S158-W161 PolarHBondContact O-N 3.44Å; F159-W161 VanDerWaalsContact C-N 3.29Å; F159-W161 PolarHBondContact O-N 3.21Å; W161-A163 VanDerWaalsContact C-N 3.32Å; W161-A163 PolarHBondContact O-N 2.98Å; W161-Y164 AromaticContact CE3-CD1 3.9Å; W161-Y164 HydrophobicContact CE3-CD1 3.9Å; W161-Y164 HydrophobicContact CH2-CD1 4.25Å; W161-Y164 HydrophobicContact CH2-CE1 4.31Å; W161-Y164 AromaticContact CZ3-CD1 3.51Å; W161-Y164 HydrophobicContact CZ3-CD1 3.51Å; W161-Y164 AromaticContact CZ3-CE1 3.81Å; W161-Y164 HydrophobicContact CZ3-CE1 3.81Å; W161-Y164 HydrophobicContact CZ3-CG 4.5Å; W161-Y164 PolarHBondContact O-N 2.88Å; W161-C165 VanDerWaalsContact CE2-SG 3.59Å; W161-C165 PolarHBondContact O-N 3.42Å; W161-C165 PolarHBondContact O-SG 3.45Å; W161-C165 VanDerWaalsContact O-SG 3.33Å
162C95.8Very high96.4Very high10 Ų1037.5 Ų37.57%0.06819%0.193CC..Hα-helixtrans-61.1-40.8175.4-66.70000112.2L133 S158 F159 C165 F166L133-C162 HydrophobicContact CB-CB 4.28Å; S158-C162 PolarHBondContact O-N 2.98Å; S158-C162 PolarHBondContact O-SG 3.24Å; F159-C162 PolarHBondContact O-N 3.36Å; C162-C165 PolarHBondContact O-N 3.09Å; C162-F166 PolarHBondContact O-N 3.42Å
163A97.8Very high96.3Very high19 Ų1939.2 Ų39.216%0.15720%0.2CC..Hα-helixtrans-62.9-43.9175.900000111.5S134 F159 W161 F166 L167S134-A163 WeakPolarHBondContact OG-CA 3.09Å; S134-A163 WeakPolarHBondContact OG-CB 3.34Å; F159-A163 HydrophobicContact CE2-CB 4.42Å; F159-A163 VanDerWaalsContact O-CB 3.29Å; F159-A163 WeakPolarHBondContact O-CB 3.36Å; F159-A163 PolarHBondContact O-N 2.84Å; W161-A163 VanDerWaalsContact C-N 3.32Å; W161-A163 PolarHBondContact O-N 2.98Å; A163-F166 WeakPolarHBondContact O-CB 3.29Å; A163-F166 PolarHBondContact O-N 3.37Å; A163-L167 VanDerWaalsContact O-CG 3.32Å; A163-L167 WeakPolarHBondContact O-CG 3.2Å; A163-L167 PolarHBondContact O-N 3.34Å
164Y97.8Very high96.1Very high43 Ų4338.8 Ų38.817%0.16920%0.198CC..Hα-helixtrans-60.3-47.3174.6173.8-94.8000111.4W57 G58 L60 L61 L160 W161 F166 L167 V168W57-Y164 AromaticContact CE3-CE2 4Å; W57-Y164 HydrophobicContact CE3-CE2 4Å; W57-Y164 HydrophobicContact CZ3-CD2 4.39Å; W57-Y164 HydrophobicContact CZ3-CE2 4.06Å; W57-Y164 PolarHBondContact O-OH 3.33Å; G58-Y164 VanDerWaalsContact CA-OH 3.26Å; G58-Y164 WeakPolarHBondContact CA-OH 3.49Å; L60-Y164 HydrophobicContact CB-CE1 3.75Å; L60-Y164 WeakPolarHBondContact CB-OH 3.05Å; L60-Y164 HydrophobicContact CD1-CE1 4.28Å; L60-Y164 HydrophobicContact CD1-CE2 4.41Å; L60-Y164 PolarHBondContact N-OH 3.45Å; L61-Y164 HydrophobicContact CB-CE1 4.12Å; L160-Y164 WeakPolarHBondContact O-CB 3.44Å; L160-Y164 PolarHBondContact O-N 3.27Å; W161-Y164 AromaticContact CE3-CD1 3.9Å; W161-Y164 HydrophobicContact CE3-CD1 3.9Å; W161-Y164 HydrophobicContact CH2-CD1 4.25Å; W161-Y164 HydrophobicContact CH2-CE1 4.31Å; W161-Y164 AromaticContact CZ3-CD1 3.51Å; W161-Y164 HydrophobicContact CZ3-CD1 3.51Å; W161-Y164 AromaticContact CZ3-CE1 3.81Å; W161-Y164 HydrophobicContact CZ3-CE1 3.81Å; W161-Y164 HydrophobicContact CZ3-CG 4.5Å; W161-Y164 PolarHBondContact O-N 2.88Å; Y164-F166 VanDerWaalsContact C-N 3.33Å; Y164-F166 PolarHBondContact O-N 3.36Å; Y164-L167 PolarHBondContact O-N 2.98Å; Y164-V168 HydrophobicContact CD1-CG2 4.2Å; Y164-V168 HydrophobicContact CD2-CG2 4.36Å; Y164-V168 HydrophobicContact CE1-CG2 3.71Å; Y164-V168 HydrophobicContact CE2-CG2 3.91Å; Y164-V168 WeakPolarHBondContact O-CG2 3.28Å; Y164-V168 PolarHBondContact O-N 2.99Å
165C96.4Very high96Very high9 Ų940 Ų406%0.06121%0.205CC..Hα-helixtrans-57.7-46176.9-69.90000111.9L61 W161 C162 V168 I169L61-C165 HydrophobicContact CD2-CB 4.45Å; W161-C165 VanDerWaalsContact CE2-SG 3.59Å; W161-C165 PolarHBondContact O-N 3.42Å; W161-C165 PolarHBondContact O-SG 3.45Å; W161-C165 VanDerWaalsContact O-SG 3.33Å; C162-C165 PolarHBondContact O-N 3.09Å; C165-V168 PolarHBondContact O-N 2.91Å; C165-I169 WeakPolarHBondContact O-CB 3.47Å; C165-I169 WeakPolarHBondContact O-CD1 3.33Å; C165-I169 VanDerWaalsContact O-CG1 3.29Å; C165-I169 WeakPolarHBondContact O-CG1 3.42Å; C165-I169 PolarHBondContact O-N 3.3Å
166F97.7Very high95.7Very high39 Ų3942.3 Ų42.317%0.17122%0.217CC..Hα-helixtrans-55.6-53174.4163.8-114.7000111.7S127 S130 L131 C162 A163 Y164 V168 I169 Y170S127-F166 WeakPolarHBondContact O-CD2 3.23Å; S130-F166 VanDerWaalsContact CB-CA 3.43Å; L131-F166 HydrophobicContact CB-CD2 3.68Å; L131-F166 HydrophobicContact CB-CE2 3.8Å; L131-F166 HydrophobicContact CB-CG 4.22Å; L131-F166 HydrophobicContact CB-CZ 4.44Å; L131-F166 HydrophobicContact CD1-CD1 4.16Å; L131-F166 HydrophobicContact CD1-CD2 4.38Å; L131-F166 HydrophobicContact CD1-CE1 3.95Å; L131-F166 HydrophobicContact CD1-CE2 4.18Å; L131-F166 HydrophobicContact CD1-CG 4.36Å; L131-F166 HydrophobicContact CD1-CZ 3.96Å; L131-F166 HydrophobicContact CD2-CE2 4.32Å; L131-F166 HydrophobicContact CD2-CZ 4.42Å; L131-F166 HydrophobicContact CG-CE2 4.32Å; C162-F166 PolarHBondContact O-N 3.42Å; A163-F166 WeakPolarHBondContact O-CB 3.29Å; A163-F166 PolarHBondContact O-N 3.37Å; Y164-F166 VanDerWaalsContact C-N 3.33Å; Y164-F166 PolarHBondContact O-N 3.36Å; F166-V168 VanDerWaalsContact C-N 3.31Å; F166-V168 PolarHBondContact O-N 3.12Å; F166-I169 PolarHBondContact O-N 3.2Å; F166-Y170 HydrophobicContact CE2-CD2 4.4Å; F166-Y170 HydrophobicContact CE2-CG 4.34Å; F166-Y170 HydrophobicContact CZ-CG 4.34Å; F166-Y170 VanDerWaalsContact O-CB 3.24Å; F166-Y170 WeakPolarHBondContact O-CB 3.38Å; F166-Y170 PolarHBondContact O-N 2.98Å
167L97.7Very high94.7Very high90 Ų9043 Ų4347%0.47122%0.223SC..Hα-helixtrans-60.2-42-177.9-69.4173.5000111.3W57 A163 Y164 G171W57-L167 VanDerWaalsContact CH2-C 3.45Å; W57-L167 HydrophobicContact CH2-CB 3.75Å; W57-L167 WeakPolarHBondContact CH2-O 3.37Å; W57-L167 HydrophobicContact CZ3-CB 4.22Å; A163-L167 VanDerWaalsContact O-CG 3.32Å; A163-L167 WeakPolarHBondContact O-CG 3.2Å; A163-L167 PolarHBondContact O-N 3.34Å; Y164-L167 PolarHBondContact O-N 2.98Å; L167-G171 PolarHBondContact O-N 3.4Å
168V97Very high92.7Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-63.5-48.4178.7175.20000110.6P55 W57 L61 Y164 C165 F166 G171 C172P55-V168 HydrophobicContact CG-CG1 4.17Å; W57-V168 HydrophobicContact CE3-CG2 3.97Å; W57-V168 HydrophobicContact CH2-CB 4.43Å; W57-V168 HydrophobicContact CH2-CG2 3.94Å; W57-V168 HydrophobicContact CZ3-CB 4.26Å; W57-V168 HydrophobicContact CZ3-CG2 3.31Å; L61-V168 HydrophobicContact CB-CG1 4.19Å; L61-V168 HydrophobicContact CB-CG2 4.5Å; L61-V168 HydrophobicContact CD2-CB 3.84Å; L61-V168 HydrophobicContact CD2-CG1 3.76Å; Y164-V168 HydrophobicContact CD1-CG2 4.2Å; Y164-V168 HydrophobicContact CD2-CG2 4.36Å; Y164-V168 HydrophobicContact CE1-CG2 3.71Å; Y164-V168 HydrophobicContact CE2-CG2 3.91Å; Y164-V168 WeakPolarHBondContact O-CG2 3.28Å; Y164-V168 PolarHBondContact O-N 2.99Å; C165-V168 PolarHBondContact O-N 2.91Å; F166-V168 VanDerWaalsContact C-N 3.31Å; F166-V168 PolarHBondContact O-N 3.12Å; V168-G171 CarbonylContact O-C 3.56Å; V168-G171 WeakPolarHBondContact O-CA 3.09Å; V168-G171 PolarHBondContact O-N 3.42Å; V168-G171 VanDerWaalsContact O-N 3.15Å; V168-C172 PolarHBondContact O-N 2.79Å; V168-C172 PolarHBondContact O-SG 3.35Å
169I96.1Very high90.7Very high4 Ų452 Ų522%0.02127%0.273CS..Hα-helixtrans-67.1-40.6-177-66.4162.8000110.6W49 L61 Y117 L123 L126 S130 C165 F166 G171 C172 E173W49-I169 HydrophobicContact CH2-CG1 3.92Å; W49-I169 HydrophobicContact CZ3-CG1 4.33Å; L61-I169 HydrophobicContact CD2-CD1 4.09Å; L61-I169 HydrophobicContact CD2-CG1 3.82Å; Y117-I169 HydrophobicContact CE1-CD1 3.95Å; L123-I169 HydrophobicContact CD2-CG2 4.48Å; L126-I169 HydrophobicContact CB-CD1 4.43Å; L126-I169 HydrophobicContact CB-CG2 3.61Å; S130-I169 WeakPolarHBondContact OG-CD1 3.47Å; C165-I169 WeakPolarHBondContact O-CB 3.47Å; C165-I169 WeakPolarHBondContact O-CD1 3.33Å; C165-I169 VanDerWaalsContact O-CG1 3.29Å; C165-I169 WeakPolarHBondContact O-CG1 3.42Å; C165-I169 PolarHBondContact O-N 3.3Å; F166-I169 PolarHBondContact O-N 3.2Å; I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.05Å; I169-C172 WeakPolarHBondContact O-CB 3.47Å; I169-C172 PolarHBondContact O-N 3.03Å; I169-C172 VanDerWaalsContact O-N 3.14Å; I169-E173 PolarHBondContact O-N 2.93Å
170Y96Very high88.1Confident108 Ų10862.2 Ų62.242%0.42432%0.317SS..Hα-helixtrans-62.6-38172-175.8-105.2000111.9F166 E173 N174F166-Y170 HydrophobicContact CE2-CD2 4.4Å; F166-Y170 HydrophobicContact CE2-CG 4.34Å; F166-Y170 HydrophobicContact CZ-CG 4.34Å; F166-Y170 VanDerWaalsContact O-CB 3.24Å; F166-Y170 WeakPolarHBondContact O-CB 3.38Å; F166-Y170 PolarHBondContact O-N 2.98Å; Y170-E173 WeakPolarHBondContact O-CB 3.3Å; Y170-E173 PolarHBondContact O-N 3.34Å; Y170-N174 WeakPolarHBondContact CD1-ND2 3.34Å; Y170-N174 WeakPolarHBondContact CE1-ND2 3.1Å; Y170-N174 VanDerWaalsContact CZ-ND2 3.33Å; Y170-N174 PolarHBondContact O-N 3.14Å; Y170-N174 VanDerWaalsContact O-N 3.13Å; Y170-N174 PolarHBondContact O-ND2 2.78Å
171G95.7Very high87.6Confident12 Ų1259.9 Ų59.912%0.12431%0.305CS..Hα-helixtrans-60.2-45.1170.100000112.2L167 V168 I169 E173 N174 I175L167-G171 PolarHBondContact O-N 3.4Å; V168-G171 CarbonylContact O-C 3.56Å; V168-G171 WeakPolarHBondContact O-CA 3.09Å; V168-G171 PolarHBondContact O-N 3.42Å; V168-G171 VanDerWaalsContact O-N 3.15Å; I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.05Å; G171-E173 VanDerWaalsContact C-N 3.33Å; G171-E173 PolarHBondContact O-N 3.38Å; G171-N174 PolarHBondContact O-N 3.39Å; G171-I175 WeakPolarHBondContact O-CD1 3.42Å; G171-I175 WeakPolarHBondContact O-CG1 2.92Å; G171-I175 PolarHBondContact O-N 3.08Å; G171-I175 VanDerWaalsContact O-N 3.08Å
172C95Very high87.1Confident0 Ų062 Ų620%032%0.317CS..Hα-helixtrans-59.2-43.7174.3-62.40000111.6L123 V168 I169 N174 I175 N176L123-C172 HydrophobicContact CD1-CB 4.22Å; L123-C172 HydrophobicContact CD2-CB 3.94Å; V168-C172 PolarHBondContact O-N 2.79Å; V168-C172 PolarHBondContact O-SG 3.35Å; I169-C172 WeakPolarHBondContact O-CB 3.47Å; I169-C172 PolarHBondContact O-N 3.03Å; I169-C172 VanDerWaalsContact O-N 3.14Å; C172-N174 PolarHBondContact O-N 3.34Å; C172-I175 PolarHBondContact O-N 3.35Å; C172-N176 WeakPolarHBondContact O-CB 3.37Å; C172-N176 PolarHBondContact O-N 3.07Å; C172-N176 PolarHBondContact O-ND2 3.32Å
173E93.7Very high86.6Confident38 Ų3864.9 Ų64.918%0.17833%0.331CS..Hα-helixtrans-54.3-53.4177.6-170.8-177.9157.900110.8L123 S127 I169 Y170 G171 I175 N176 V177L123-E173 HydrophobicContact CB-CB 4.07Å; L123-E173 HydrophobicContact CB-CG 4.29Å; S127-E173 WeakPolarHBondContact CB-OE2 3.08Å; S127-E173 PolarHBondContact OG-OE2 2.73Å; I169-E173 PolarHBondContact O-N 2.93Å; Y170-E173 WeakPolarHBondContact O-CB 3.3Å; Y170-E173 PolarHBondContact O-N 3.34Å; G171-E173 VanDerWaalsContact C-N 3.33Å; G171-E173 PolarHBondContact O-N 3.38Å; E173-I175 VanDerWaalsContact C-N 3.3Å; E173-I175 PolarHBondContact O-N 3.42Å; E173-N176 PolarHBondContact O-N 2.97Å; E173-V177 WeakPolarHBondContact O-CB 3.31Å; E173-V177 PolarHBondContact O-N 3.27Å
174N92Very high86Confident58 Ų5867.6 Ų67.631%0.3134%0.341SS..Hα-helixtrans-67-25.9-179.3-69-58.5000114.3Y170 G171 C172Y170-N174 WeakPolarHBondContact CD1-ND2 3.34Å; Y170-N174 WeakPolarHBondContact CE1-ND2 3.1Å; Y170-N174 VanDerWaalsContact CZ-ND2 3.33Å; Y170-N174 PolarHBondContact O-N 3.14Å; Y170-N174 VanDerWaalsContact O-N 3.13Å; Y170-N174 PolarHBondContact O-ND2 2.78Å; G171-N174 PolarHBondContact O-N 3.39Å; C172-N174 PolarHBondContact O-N 3.34Å
175I93.4Very high85.3Confident79 Ų7969.1 Ų69.141%0.40535%0.352SS..Hα-helixtrans-83.6-36.8179-65.4163.6000111.4K53 P55 G171 C172 E173K53-I175 HydrophobicContact CB-CG2 3.57Å; K53-I175 HydrophobicContact CD-CG2 3.94Å; K53-I175 HydrophobicContact CG-CG2 4.42Å; P55-I175 HydrophobicContact CB-CD1 4.21Å; G171-I175 WeakPolarHBondContact O-CD1 3.42Å; G171-I175 WeakPolarHBondContact O-CG1 2.92Å; G171-I175 PolarHBondContact O-N 3.08Å; G171-I175 VanDerWaalsContact O-N 3.08Å; C172-I175 PolarHBondContact O-N 3.35Å; E173-I175 VanDerWaalsContact C-N 3.3Å; E173-I175 PolarHBondContact O-N 3.42Å
176N89.6Confident84.5Confident47 Ų4773.1 Ų73.125%0.25137%0.371SS..Hα-helixtrans-91.2-27.9-175.1-66.6-76.7000112.7K53 L123 C172 E173K53-N176 WeakPolarHBondContact CB-OD1 3.34Å; K53-N176 PolarHBondContact N-ND2 2.8Å; K53-N176 PolarHBondContact N-OD1 3.5Å; K53-N176 PolarHBondContact O-ND2 2.79Å; L123-N176 HydrophobicContact CD1-CB 4Å; C172-N176 WeakPolarHBondContact O-CB 3.37Å; C172-N176 PolarHBondContact O-N 3.07Å; C172-N176 PolarHBondContact O-ND2 3.32Å; E173-N176 PolarHBondContact O-N 2.97Å
177V74.6Confident83.6Confident88 Ų8875.6 Ų75.653%0.53339%0.385SS..SBendtrans-111.399.2176.8-170.80000107.4E173 L179E173-V177 WeakPolarHBondContact O-CB 3.31Å; E173-V177 PolarHBondContact O-N 3.27Å; V177-L179 PolarHBondContact O-N 3.06Å
178P55Low82.5Confident103 Ų10374.5 Ų74.567%0.66938%0.379SS*.  trans-62.3129.8177.724.5-30.4000108.9K180P178-K180 PolarHBondContact O-N 3.08Å; P178-K180 VanDerWaalsContact O-N 3.08Å
179L53.6Low81.3Confident153 Ų15380.7 Ų80.780%0.80141%0.41SS*.  trans-49.3117173-69.2165.7000108.4V177V177-L179 PolarHBondContact O-N 3.06Å
180K40.8Very low79.9Confident278 Ų27887.6 Ų87.6100%1.20945%0.446SS*.  trans-71.40171.1-85.5-173.7176.7179.20110.6P178P178-K180 PolarHBondContact O-N 3.08Å; P178-K180 VanDerWaalsContact O-N 3.08Å

Retrieved 180 of 180 residues in 294.7 ms (Link to these results)

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