A0A077Z0K7_TRITR Loading...

Ank 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0K7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M62.1Low80.9Confident158 Ų15869.5 Ų69.578%0.77833%0.334SS*.  0110.20-164.7-176.2-166.100106.3R3M1-R3 PolarHBondContact O-N 3.48Å
2V71.1Confident81.7Confident12 Ų1263.7 Ų63.77%0.07331%0.306CS..  trans-68.4114.2-178.7-177.20000108.7D7 L8 A11 Q19 A23 L29V2-D7 HydrophobicContact CB-CB 4.28Å; V2-D7 HydrophobicContact CG1-CB 3.88Å; V2-L8 HydrophobicContact CG1-CB 3.76Å; V2-A11 HydrophobicContact CG2-CB 4.29Å; V2-Q19 HydrophobicContact CG2-CB 3.73Å; V2-Q19 HydrophobicContact CG2-CG 4.41Å; V2-Q19 WeakPolarHBondContact CG2-O 3.5Å; V2-Q19 VanDerWaalsContact CG2-OE1 3.23Å; V2-A23 HydrophobicContact CB-CB 4.23Å; V2-A23 HydrophobicContact CG1-CB 3.81Å; V2-L29 HydrophobicContact CG1-CD1 4.01Å
3R75.5Confident82.3Confident194 Ų19467.5 Ų67.573%0.73232%0.315SS*.  trans-120.4-22.5177.1-57.8-174.2-154.5-173.75.2112.3M1 D7M1-R3 PolarHBondContact O-N 3.48Å; R3-D7 PolarHBondContact N-OD2 3.06Å
4T81.7Confident83.1Confident65 Ų6570.1 Ų70.140%0.39933%0.328SS..SBendtrans-120.7165-179.968.90000111.1D6 D7 L8T4-D6 PolarHBondContact O-N 3.47Å; T4-D7 PolarHBondContact N-OD2 3.05Å; T4-D7 WeakPolarHBondContact O-CB 3.34Å; T4-D7 PolarHBondContact O-N 3.47Å; T4-D7 PolarHBondContact OG1-N 2.96Å; T4-D7 VanDerWaalsContact OG1-N 3.16Å; T4-D7 PolarHBondContact OG1-OD1 3.01Å; T4-D7 PolarHBondContact OG1-OD2 2.75Å; T4-L8 PolarHBondContact O-N 3.17Å; T4-L8 VanDerWaalsContact O-N 3.13Å
5V79.4Confident83.5Confident26 Ų2667 Ų6716%0.15832%0.322CS..Hα-helixtrans-64.1-32.6175.1-177.40000110.9L8 H9 L29 S32 C35V5-L8 WeakPolarHBondContact O-CB 3.27Å; V5-L8 PolarHBondContact O-N 3.22Å; V5-H9 PolarHBondContact O-N 3.4Å; V5-L29 HydrophobicContact CG2-CD2 4.15Å; V5-S32 VanDerWaalsContact CG2-CB 3.49Å; V5-C35 WeakPolarHBondContact CG1-SG 3.28Å
6D82.1Confident84Confident118 Ų11867.3 Ų67.363%0.63132%0.323SS*.Hα-helixtrans-68.9-37.6176.9-68.1-36.2000111.9T4 L8 H9 F10T4-D6 PolarHBondContact O-N 3.47Å; D6-L8 VanDerWaalsContact C-N 3.31Å; D6-L8 PolarHBondContact O-N 3.25Å; D6-H9 PolarHBondContact O-N 2.97Å; D6-F10 WeakPolarHBondContact O-CB 3.5Å; D6-F10 PolarHBondContact O-N 2.82Å
7D85.7Confident84.4Confident63 Ų6366.8 Ų66.834%0.33732%0.322SS..Hα-helixtrans-61.9-41.5171.8-57.6-39.1000110.9V2 R3 T4 F10 A11V2-D7 HydrophobicContact CB-CB 4.28Å; V2-D7 HydrophobicContact CG1-CB 3.88Å; R3-D7 PolarHBondContact N-OD2 3.06Å; T4-D7 PolarHBondContact N-OD2 3.05Å; T4-D7 WeakPolarHBondContact O-CB 3.34Å; T4-D7 PolarHBondContact O-N 3.47Å; T4-D7 PolarHBondContact OG1-N 2.96Å; T4-D7 VanDerWaalsContact OG1-N 3.16Å; T4-D7 PolarHBondContact OG1-OD1 3.01Å; T4-D7 PolarHBondContact OG1-OD2 2.75Å; D7-F10 PolarHBondContact O-N 3.3Å; D7-A11 WeakPolarHBondContact O-CB 3.36Å; D7-A11 PolarHBondContact O-N 3.35Å
8L86.8Confident84.7Confident1 Ų169.5 Ų69.51%0.00533%0.334CS..Hα-helixtrans-62.8-46.3176.9173.355.8000110.2V2 T4 V5 D6 F10 A11 I12 V20 A23 L29 L30 A39V2-L8 HydrophobicContact CG1-CB 3.76Å; T4-L8 PolarHBondContact O-N 3.17Å; T4-L8 VanDerWaalsContact O-N 3.13Å; V5-L8 WeakPolarHBondContact O-CB 3.27Å; V5-L8 PolarHBondContact O-N 3.22Å; D6-L8 VanDerWaalsContact C-N 3.31Å; D6-L8 PolarHBondContact O-N 3.25Å; L8-F10 VanDerWaalsContact C-N 3.3Å; L8-F10 PolarHBondContact O-N 2.99Å; L8-A11 PolarHBondContact O-N 3.47Å; L8-I12 HydrophobicContact CD1-CD1 3.79Å; L8-I12 HydrophobicContact CD1-CG1 4.02Å; L8-I12 HydrophobicContact CG-CD1 3.85Å; L8-I12 HydrophobicContact CG-CG1 4.49Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 3.06Å; L8-V20 HydrophobicContact CD1-CG1 4.49Å; L8-A23 HydrophobicContact CD1-CB 3.51Å; L8-A23 HydrophobicContact CD2-CB 4.32Å; L8-A23 HydrophobicContact CG-CB 4.32Å; L8-L29 HydrophobicContact CD2-CB 4.04Å; L8-L30 HydrophobicContact CD2-CD2 4.13Å; L8-A39 HydrophobicContact CD2-CB 4.46Å
9H85.9Confident84.8Confident15 Ų1568.8 Ų68.87%0.06933%0.33CS..Hα-helixtrans-61.3-39.5176.4-71.5162.1000112.6V5 D6 I12 R13 C35 L42V5-H9 PolarHBondContact O-N 3.4Å; D6-H9 PolarHBondContact O-N 2.97Å; H9-I12 PolarHBondContact O-N 3.13Å; H9-R13 VanDerWaalsContact O-CG 3.29Å; H9-R13 WeakPolarHBondContact O-CG 3.46Å; H9-R13 PolarHBondContact O-N 3.38Å; H9-C35 VanDerWaalsContact CE1-SG 3.55Å; H9-L42 HydrophobicContact CB-CD2 3.63Å; H9-L42 WeakPolarHBondContact CD2-CD2 3.45Å
10F88Confident85Confident112 Ų11265.4 Ų65.449%0.49131%0.314SS..Hα-helixtrans-62.8-48.6174.6-174.5-92.8000111.1D6 D7 L8 I12 R13 Q14D6-F10 WeakPolarHBondContact O-CB 3.5Å; D6-F10 PolarHBondContact O-N 2.82Å; D7-F10 PolarHBondContact O-N 3.3Å; L8-F10 VanDerWaalsContact C-N 3.3Å; L8-F10 PolarHBondContact O-N 2.99Å; F10-I12 VanDerWaalsContact C-N 3.32Å; F10-I12 PolarHBondContact O-N 3.37Å; F10-R13 PolarHBondContact O-N 2.93Å; F10-R13 VanDerWaalsContact O-N 3.12Å; F10-Q14 HydrophobicContact CD1-CG 4.13Å; F10-Q14 HydrophobicContact CE1-CG 3.68Å; F10-Q14 HydrophobicContact CE2-CG 4.41Å; F10-Q14 HydrophobicContact CZ-CG 3.85Å; F10-Q14 WeakPolarHBondContact O-CG 3.47Å; F10-Q14 PolarHBondContact O-N 3.13Å
11A91.3Very high85.1Confident0 Ų066.1 Ų66.10%032%0.316CS..Hα-helixtrans-57.4-43.3176.700000112.1V2 D7 L8 Q14 G15 E16 Q19 V20V2-A11 HydrophobicContact CG2-CB 4.29Å; D7-A11 WeakPolarHBondContact O-CB 3.36Å; D7-A11 PolarHBondContact O-N 3.35Å; L8-A11 PolarHBondContact O-N 3.47Å; A11-Q14 PolarHBondContact O-N 3.48Å; A11-G15 PolarHBondContact O-N 3.11Å; A11-E16 HydrophobicContact CB-CB 4.37Å; A11-E16 PolarHBondContact O-N 3.11Å; A11-Q19 HydrophobicContact CB-CB 3.74Å; A11-V20 HydrophobicContact CB-CG2 4.34Å
12I90.9Very high86.2Confident0 Ų062.4 Ų62.40%030%0.298CS..Hα-helixtrans-62.1-46.9175-69.3167.2000110.8L8 H9 F10 Q14 G15 V20 A39 L42 A43 K48 V51L8-I12 HydrophobicContact CD1-CD1 3.79Å; L8-I12 HydrophobicContact CD1-CG1 4.02Å; L8-I12 HydrophobicContact CG-CD1 3.85Å; L8-I12 HydrophobicContact CG-CG1 4.49Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 3.06Å; H9-I12 PolarHBondContact O-N 3.13Å; F10-I12 VanDerWaalsContact C-N 3.32Å; F10-I12 PolarHBondContact O-N 3.37Å; I12-Q14 VanDerWaalsContact C-N 3.27Å; I12-Q14 PolarHBondContact O-N 3.28Å; I12-G15 PolarHBondContact O-N 2.88Å; I12-G15 VanDerWaalsContact O-N 3.11Å; I12-V20 HydrophobicContact CG1-CG2 4.01Å; I12-A39 HydrophobicContact CD1-CB 3.69Å; I12-L42 HydrophobicContact CB-CD2 4.17Å; I12-L42 HydrophobicContact CG2-CB 4.24Å; I12-L42 HydrophobicContact CG2-CD2 4.02Å; I12-L42 HydrophobicContact CG2-CG 3.91Å; I12-A43 HydrophobicContact CG2-CB 3.77Å; I12-K48 WeakPolarHBondContact O-CG 3.46Å; I12-V51 HydrophobicContact CG1-CG1 4.14Å; I12-V51 HydrophobicContact CG2-CG1 4.3Å
13R89.9Confident86.8Confident113 Ų11361.9 Ų61.943%0.42630%0.295SS..Hα-helixtrans-60.8-36.8179.2-74.3-177-164.1108-1.7112.5H9 F10 L42 K48H9-R13 VanDerWaalsContact O-CG 3.29Å; H9-R13 WeakPolarHBondContact O-CG 3.46Å; H9-R13 PolarHBondContact O-N 3.38Å; F10-R13 PolarHBondContact O-N 2.93Å; F10-R13 VanDerWaalsContact O-N 3.12Å; R13-L42 HydrophobicContact CG-CD1 4.36Å; R13-L42 HydrophobicContact CG-CD2 4.38Å; R13-K48 WeakPolarHBondContact O-CE 3.45Å; R13-K48 PolarHBondContact O-NZ 3.28Å
14Q92.5Very high87.1Confident104 Ų10453.5 Ų53.549%0.48627%0.265SS..Hα-helixtrans-78-28.2176.3-60.8-51.1-2700112.3F10 A11 I12 E16 K48F10-Q14 HydrophobicContact CD1-CG 4.13Å; F10-Q14 HydrophobicContact CE1-CG 3.68Å; F10-Q14 HydrophobicContact CE2-CG 4.41Å; F10-Q14 HydrophobicContact CZ-CG 3.85Å; F10-Q14 WeakPolarHBondContact O-CG 3.47Å; F10-Q14 PolarHBondContact O-N 3.13Å; A11-Q14 PolarHBondContact O-N 3.48Å; I12-Q14 VanDerWaalsContact C-N 3.27Å; I12-Q14 PolarHBondContact O-N 3.28Å; Q14-E16 HydrophobicContact CB-CG 3.99Å; Q14-K48 PolarHBondContact O-NZ 2.83Å
15G89.8Confident87.1Confident24 Ų2458.1 Ų58.125%0.24728%0.282CS..THydrogen-bonded Turntrans85.228.5-174.100000112.5A11 I12 I17A11-G15 PolarHBondContact O-N 3.11Å; I12-G15 PolarHBondContact O-N 2.88Å; I12-G15 VanDerWaalsContact O-N 3.11Å; G15-I17 PolarHBondContact O-N 3.07Å
16E91.7Very high87.1Confident71 Ų7159.9 Ų59.933%0.33229%0.292SS..  trans-76.488179.1-69.6-176.5-15500110.5A11 Q14 E18 Q19 V20A11-E16 HydrophobicContact CB-CB 4.37Å; A11-E16 PolarHBondContact O-N 3.11Å; Q14-E16 HydrophobicContact CB-CG 3.99Å; E16-E18 VanDerWaalsContact C-N 3.31Å; E16-E18 PolarHBondContact O-N 3.27Å; E16-Q19 HydrophobicContact CB-CB 4.03Å; E16-Q19 HydrophobicContact CB-CG 4.21Å; E16-Q19 PolarHBondContact O-N 3.05Å; E16-Q19 VanDerWaalsContact O-N 3.15Å; E16-Q19 VanDerWaalsContact OE2-CG 3.31Å; E16-Q19 WeakPolarHBondContact OE2-CG 3.15Å; E16-Q19 PolarHBondContact OE2-NE2 2.92Å; E16-V20 VanDerWaalsContact O-CG2 3.28Å; E16-V20 WeakPolarHBondContact O-CG2 3.43Å; E16-V20 PolarHBondContact O-N 2.89Å
17I90.2Very high86.5Confident59 Ų5957.7 Ų57.730%0.30329%0.285SS..Hα-helixtrans-55.4-44.4-172.9-60.9175.9000111.9G15 Q19 V20 K21 E50 L54G15-I17 PolarHBondContact O-N 3.07Å; I17-Q19 PolarHBondContact O-N 3.07Å; I17-V20 PolarHBondContact O-N 3.37Å; I17-K21 HydrophobicContact CG2-CD 4.4Å; I17-K21 WeakPolarHBondContact O-CG 3.46Å; I17-K21 PolarHBondContact O-N 3.29Å; I17-E50 HydrophobicContact CD1-CB 3.79Å; I17-E50 HydrophobicContact CD1-CG 4.34Å; I17-E50 HydrophobicContact CG1-CB 4.47Å; I17-L54 HydrophobicContact CG2-CD1 4.35Å
18E89.4Confident85.9Confident116 Ų11658.9 Ų58.954%0.54230%0.298SS..Hα-helixtrans-66.7-37.1-178.5-64.1-52.3131.600112.5E16 V20 K21 I22E16-E18 VanDerWaalsContact C-N 3.31Å; E16-E18 PolarHBondContact O-N 3.27Å; E18-V20 VanDerWaalsContact C-N 3.34Å; E18-K21 PolarHBondContact O-N 3Å; E18-K21 IonicContact OE1-NZ 2.75Å; E18-K21 PolarHBondContact OE1-NZ 2.79Å; E18-K21 IonicContact OE2-NZ 3.71Å; E18-I22 VanDerWaalsContact O-CG1 3.32Å; E18-I22 WeakPolarHBondContact O-CG1 3.3Å; E18-I22 PolarHBondContact O-N 3.11Å; E18-I22 VanDerWaalsContact O-N 3.11Å
19Q88.2Confident85Confident56 Ų5659.6 Ų59.626%0.26230%0.302SS..Hα-helixtrans-67.7-37.1174.4-70.5-142.447.500111.6V2 A11 E16 I17 A23V2-Q19 HydrophobicContact CG2-CB 3.73Å; V2-Q19 HydrophobicContact CG2-CG 4.41Å; V2-Q19 WeakPolarHBondContact CG2-O 3.5Å; V2-Q19 VanDerWaalsContact CG2-OE1 3.23Å; A11-Q19 HydrophobicContact CB-CB 3.74Å; E16-Q19 HydrophobicContact CB-CB 4.03Å; E16-Q19 HydrophobicContact CB-CG 4.21Å; E16-Q19 PolarHBondContact O-N 3.05Å; E16-Q19 VanDerWaalsContact O-N 3.15Å; E16-Q19 VanDerWaalsContact OE2-CG 3.31Å; E16-Q19 WeakPolarHBondContact OE2-CG 3.15Å; E16-Q19 PolarHBondContact OE2-NE2 2.92Å; I17-Q19 PolarHBondContact O-N 3.07Å; Q19-A23 WeakPolarHBondContact O-CB 3.49Å; Q19-A23 PolarHBondContact O-N 3.39Å; Q19-A23 VanDerWaalsContact O-N 3.11Å
20V87.7Confident84.1Confident0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-66.8-41.6175.3-177.60000110.6L8 A11 I12 E16 I17 E18 I22 A23 I24 V51 L54 L55L8-V20 HydrophobicContact CD1-CG1 4.49Å; A11-V20 HydrophobicContact CB-CG2 4.34Å; I12-V20 HydrophobicContact CG1-CG2 4.01Å; E16-V20 VanDerWaalsContact O-CG2 3.28Å; E16-V20 WeakPolarHBondContact O-CG2 3.43Å; E16-V20 PolarHBondContact O-N 2.89Å; I17-V20 PolarHBondContact O-N 3.37Å; E18-V20 VanDerWaalsContact C-N 3.34Å; V20-I22 PolarHBondContact O-N 2.97Å; V20-A23 WeakPolarHBondContact O-CB 3.34Å; V20-A23 PolarHBondContact O-N 2.93Å; V20-A23 VanDerWaalsContact O-N 3.13Å; V20-I24 HydrophobicContact CG1-CD1 4.11Å; V20-I24 HydrophobicContact CG1-CG1 4.37Å; V20-I24 WeakPolarHBondContact O-CG1 3.31Å; V20-I24 PolarHBondContact O-N 3.46Å; V20-V51 HydrophobicContact CG1-CG1 4.15Å; V20-V51 HydrophobicContact CG2-CG1 4.13Å; V20-V51 HydrophobicContact CG2-CG2 4.43Å; V20-L54 HydrophobicContact CB-CD2 4Å; V20-L54 HydrophobicContact CG1-CD2 3.62Å; V20-L55 HydrophobicContact CG1-CD2 4.28Å
21K87Confident82.9Confident82 Ų8265.2 Ų65.236%0.35732%0.322SS..Hα-helixtrans-56.5-49.9175.3-78.4175.2-177.8168.40111.9I17 E18 A23 I24 E25 L54I17-K21 HydrophobicContact CG2-CD 4.4Å; I17-K21 WeakPolarHBondContact O-CG 3.46Å; I17-K21 PolarHBondContact O-N 3.29Å; E18-K21 PolarHBondContact O-N 3Å; E18-K21 IonicContact OE1-NZ 2.75Å; E18-K21 PolarHBondContact OE1-NZ 2.79Å; E18-K21 IonicContact OE2-NZ 3.71Å; K21-A23 PolarHBondContact O-N 2.88Å; K21-I24 WeakPolarHBondContact O-CB 3.24Å; K21-I24 PolarHBondContact O-N 3.14Å; K21-I24 VanDerWaalsContact O-N 3.13Å; K21-E25 PolarHBondContact O-N 3.34Å; K21-L54 HydrophobicContact CD-CD1 4.32Å; K21-L54 HydrophobicContact CG-CD1 3.69Å; K21-L54 HydrophobicContact CG-CD2 3.85Å; K21-L54 HydrophobicContact CG-CG 4.36Å
22I84.4Confident81.3Confident80 Ų8066.7 Ų66.741%0.4133%0.333SS..Hα-helixtrans-57.7-39.8177-65.7164.7000110.7E18 V20 E25E18-I22 VanDerWaalsContact O-CG1 3.32Å; E18-I22 WeakPolarHBondContact O-CG1 3.3Å; E18-I22 PolarHBondContact O-N 3.11Å; E18-I22 VanDerWaalsContact O-N 3.11Å; V20-I22 PolarHBondContact O-N 2.97Å; I22-E25 PolarHBondContact O-N 3.18Å
23A84.5Confident79.6Confident1 Ų176 Ų761%0.00838%0.376CS..Hα-helixtrans-71.1-31.6179.900000113.5V2 L8 Q19 V20 K21 E25 T26 L29V2-A23 HydrophobicContact CB-CB 4.23Å; V2-A23 HydrophobicContact CG1-CB 3.81Å; L8-A23 HydrophobicContact CD1-CB 3.51Å; L8-A23 HydrophobicContact CD2-CB 4.32Å; L8-A23 HydrophobicContact CG-CB 4.32Å; Q19-A23 WeakPolarHBondContact O-CB 3.49Å; Q19-A23 PolarHBondContact O-N 3.39Å; Q19-A23 VanDerWaalsContact O-N 3.11Å; V20-A23 WeakPolarHBondContact O-CB 3.34Å; V20-A23 PolarHBondContact O-N 2.93Å; V20-A23 VanDerWaalsContact O-N 3.13Å; K21-A23 PolarHBondContact O-N 2.88Å; A23-E25 VanDerWaalsContact C-N 3.29Å; A23-E25 PolarHBondContact O-N 3.48Å; A23-T26 CarbonylContact O-C 3.55Å; A23-T26 PolarHBondContact O-N 2.9Å; A23-T26 VanDerWaalsContact O-O 3.13Å; A23-L29 HydrophobicContact CB-CD1 4.2Å
24I81.8Confident77.8Confident18 Ų1882 Ų829%0.09240%0.399CS..Hα-helixtrans-64.3-35.2176.9-74.4171.5000111.3V20 K21 T26 L30 L54 L55 N58V20-I24 HydrophobicContact CG1-CD1 4.11Å; V20-I24 HydrophobicContact CG1-CG1 4.37Å; V20-I24 WeakPolarHBondContact O-CG1 3.31Å; V20-I24 PolarHBondContact O-N 3.46Å; K21-I24 WeakPolarHBondContact O-CB 3.24Å; K21-I24 PolarHBondContact O-N 3.14Å; K21-I24 VanDerWaalsContact O-N 3.13Å; I24-T26 PolarHBondContact O-N 3.26Å; I24-L30 HydrophobicContact CG1-CD1 4.46Å; I24-L30 HydrophobicContact CG1-CD2 4.33Å; I24-L54 HydrophobicContact CD1-CD2 3.4Å; I24-L54 VanDerWaalsContact CD1-CD2 3.4Å; I24-L54 HydrophobicContact CD1-CG 3.86Å; I24-L55 HydrophobicContact CD1-CD2 3.96Å; I24-L55 HydrophobicContact CG1-CD2 4.09Å; I24-N58 HydrophobicContact CD1-CB 4.19Å; I24-N58 HydrophobicContact CG2-CB 3.54Å
25E81.2Confident76.1Confident162 Ų16278.5 Ų78.576%0.75739%0.385SS*.THydrogen-bonded Turntrans-63.1-11.8173.9-64.2179.2174.800112.8K21 I22 A23 P27K21-E25 PolarHBondContact O-N 3.34Å; I22-E25 PolarHBondContact O-N 3.18Å; A23-E25 VanDerWaalsContact C-N 3.29Å; A23-E25 PolarHBondContact O-N 3.48Å; E25-P27 WeakPolarHBondContact O-CD 3.44Å
26T79.4Confident74.9Confident62 Ų6281.1 Ų81.138%0.3839%0.394SS..SBendtrans-115.584.5177.6-44.50000110.7A23 I24 S28 L29A23-T26 CarbonylContact O-C 3.55Å; A23-T26 PolarHBondContact O-N 2.9Å; A23-T26 VanDerWaalsContact O-O 3.13Å; I24-T26 PolarHBondContact O-N 3.26Å; T26-S28 PolarHBondContact O-N 3.17Å; T26-L29 HydrophobicContact CG2-CD1 4.22Å; T26-L29 HydrophobicContact CG2-CG 4.18Å; T26-L29 PolarHBondContact O-N 3.44Å
27P70.7Confident74Confident73 Ų7380.9 Ų80.947%0.47439%0.39SS..Hα-helixtrans-57.8-23.4-170.4-26.733.4000115.8E25 L29 L30E25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 2.94Å; P27-L30 PolarHBondContact O-N 3.4Å
28S71.8Confident73.6Confident88 Ų8878.9 Ų78.962%0.61538%0.38SS*.Hα-helixtrans-63-28.7177.455.70000112.8T26T26-S28 PolarHBondContact O-N 3.17Å
29L68.6Low73.5Confident16 Ų1673.8 Ų73.88%0.08436%0.358CS..Hα-helixtrans-74.2-30.6178.8-64.6177.6000112.5V2 V5 L8 A23 T26 P27V2-L29 HydrophobicContact CG1-CD1 4.01Å; V5-L29 HydrophobicContact CG2-CD2 4.15Å; L8-L29 HydrophobicContact CD2-CB 4.04Å; A23-L29 HydrophobicContact CB-CD1 4.2Å; T26-L29 HydrophobicContact CG2-CD1 4.22Å; T26-L29 HydrophobicContact CG2-CG 4.18Å; T26-L29 PolarHBondContact O-N 3.44Å; P27-L29 PolarHBondContact O-N 2.94Å
30L67.5Low73.6Confident48 Ų4871.3 Ų71.325%0.25135%0.346SS..Hα-helixtrans-75.2-27.5-179.4-64.2174000113L8 I24 P27 A39 L55L8-L30 HydrophobicContact CD2-CD2 4.13Å; I24-L30 HydrophobicContact CG1-CD1 4.46Å; I24-L30 HydrophobicContact CG1-CD2 4.33Å; P27-L30 PolarHBondContact O-N 3.4Å; L30-A39 HydrophobicContact CD2-CB 3.98Å; L30-L55 HydrophobicContact CD2-CD2 3.96Å
31R61.8Low73.7Confident196 Ų19671.5 Ų71.574%0.7435%0.347SS*.THydrogen-bonded Turntrans-102.117.7-171.1-70.9-171.9168.8125.1-1114.8Q33R31-Q33 PolarHBondContact O-N 2.94Å
32S58.3Low73.8Confident32 Ų3267.7 Ų67.722%0.22433%0.331CS..  trans-59.1109.9-176.5-1780000112.7V5 R34 C35V5-S32 VanDerWaalsContact CG2-CB 3.49Å; S32-R34 PolarHBondContact O-N 3.22Å; S32-C35 PolarHBondContact O-N 3.47Å; S32-C35 PolarHBondContact OG-SG 2.63Å
33Q54.9Low74.2Confident195 Ų19563.9 Ų63.991%0.91131%0.311SS*.THydrogen-bonded Turntrans-71.7-12.9174.3-69-165.7-7.700113.5R31 C35R31-Q33 PolarHBondContact O-N 2.94Å; Q33-C35 PolarHBondContact O-N 3.03Å
34R51.8Low74.7Confident239 Ų23963.8 Ų63.890%0.90231%0.311SS*.THydrogen-bonded Turntrans-71.8-17.8177.5-68.2-175.386.8116.9-2112.1S32S32-R34 PolarHBondContact O-N 3.22Å
35C57.1Low75.1Confident30 Ų3065.6 Ų65.620%0.20332%0.319CS..  trans-104.4121.4-174.4-46.20000107.6V5 H9 S32 Q33 R37V5-C35 WeakPolarHBondContact CG1-SG 3.28Å; H9-C35 VanDerWaalsContact CE1-SG 3.55Å; S32-C35 PolarHBondContact O-N 3.47Å; S32-C35 PolarHBondContact OG-SG 2.63Å; Q33-C35 PolarHBondContact O-N 3.03Å; C35-R37 PolarHBondContact O-N 3.15Å
36L64.8Low75.6Confident80 Ų8060.1 Ų60.142%0.41930%0.298SS..SBendtrans-61.2-14.4172.2-72.2175.1000112.5S66 Y67 R71L36-S66 WeakPolarHBondContact O-CB 3.32Å; L36-Y67 HydrophobicContact CB-CD2 4.08Å; L36-Y67 HydrophobicContact CB-CG 4.45Å; L36-Y67 HydrophobicContact CD2-CD2 3.44Å; L36-Y67 VanDerWaalsContact CD2-CD2 3.44Å; L36-Y67 HydrophobicContact CD2-CE2 3.9Å; L36-Y67 HydrophobicContact CD2-CG 3.94Å; L36-Y67 HydrophobicContact CG-CD2 4.33Å; L36-Y67 PolarHBondContact O-N 3.28Å; L36-R71 HydrophobicContact CD1-CG 3.83Å
37R72.2Confident76.3Confident66 Ų6658.3 Ų58.325%0.24929%0.292CS..SBendtrans-109.7136.4-178.8-63.3-176.9-175.4174.33.6110.7C35 Y67C35-R37 PolarHBondContact O-N 3.15Å; R37-Y67 WeakPolarHBondContact CG-O 3.31Å
38T82.4Confident77.5Confident17 Ų1757.9 Ų57.910%0.10428%0.283CS..  trans-81.2158.1169.461.40000109.2L40 S41 L42 Q64T38-L40 PolarHBondContact O-N 3.34Å; T38-S41 PolarHBondContact N-OG 3.25Å; T38-S41 VanDerWaalsContact N-OG 3.1Å; T38-S41 PolarHBondContact O-N 2.87Å; T38-S41 PolarHBondContact O-OG 3.4Å; T38-S41 WeakPolarHBondContact OG1-CB 3.27Å; T38-S41 PolarHBondContact OG1-N 2.94Å; T38-S41 PolarHBondContact OG1-OG 3.46Å; T38-L42 PolarHBondContact O-N 3.27Å; T38-Q64 HydrophobicContact CG2-CB 4.44Å; T38-Q64 HydrophobicContact CG2-CG 3.86Å
39A87.8Confident78.6Confident8 Ų857.6 Ų57.67%0.06627%0.272CS..Hα-helixtrans-53.6-42.2173.600000111.4L8 I12 L30 A43 L55L8-A39 HydrophobicContact CD2-CB 4.46Å; I12-A39 HydrophobicContact CD1-CB 3.69Å; L30-A39 HydrophobicContact CD2-CB 3.98Å; A39-A43 WeakPolarHBondContact O-CB 3.38Å; A39-A43 PolarHBondContact O-N 3.13Å; A39-L55 HydrophobicContact CB-CD1 4.2Å; A39-L55 HydrophobicContact CB-CD2 4.19Å
40L90.6Very high79.9Confident5 Ų561.8 Ų61.83%0.02629%0.291CS..Hα-helixtrans-63.8-48.8176.8-177.163.6000111.7T38 L42 A43 V44 V52 L55 L56 A60 P76 L92T38-L40 PolarHBondContact O-N 3.34Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3Å; L40-A43 PolarHBondContact O-N 3.49Å; L40-V44 HydrophobicContact CD1-CG2 4.46Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.45Å; L40-V44 PolarHBondContact O-N 3.24Å; L40-V52 HydrophobicContact CD1-CB 4.49Å; L40-V52 HydrophobicContact CD1-CG1 3.96Å; L40-L55 HydrophobicContact CD1-CB 4.27Å; L40-L56 HydrophobicContact CD1-CD2 4.07Å; L40-L56 HydrophobicContact CD1-CG 4.11Å; L40-L56 HydrophobicContact CD2-CD2 3.86Å; L40-A60 HydrophobicContact CB-CB 4.47Å; L40-A60 HydrophobicContact CD2-CB 4.43Å; L40-P76 HydrophobicContact CD2-CB 4.29Å; L40-P76 HydrophobicContact CD2-CG 4.02Å; L40-P76 HydrophobicContact CG-CB 4.44Å; L40-P76 HydrophobicContact CG-CG 4.41Å; L40-L92 HydrophobicContact CD1-CD2 4.42Å; L40-L92 HydrophobicContact CD2-CD2 4.27Å
41S89.6Confident81.2Confident3 Ų359.6 Ų59.62%0.02128%0.279CS..Hα-helixtrans-66.4-33.9-178.178.40000112.6T38 Q45 S66T38-S41 PolarHBondContact N-OG 3.25Å; T38-S41 VanDerWaalsContact N-OG 3.1Å; T38-S41 PolarHBondContact O-N 2.87Å; T38-S41 PolarHBondContact O-OG 3.4Å; T38-S41 WeakPolarHBondContact OG1-CB 3.27Å; T38-S41 PolarHBondContact OG1-N 2.94Å; T38-S41 PolarHBondContact OG1-OG 3.46Å; S41-Q45 WeakPolarHBondContact O-CB 3.43Å; S41-Q45 PolarHBondContact O-N 3.27Å; S41-S66 WeakPolarHBondContact CB-OG 3.15Å; S41-S66 VanDerWaalsContact OG-CB 3.25Å; S41-S66 WeakPolarHBondContact OG-CB 3.43Å; S41-S66 PolarHBondContact OG-OG 3.48Å
42L89.4Confident82.7Confident2 Ų250.3 Ų50.31%0.0124%0.244CC..Hα-helixtrans-65.6-44.1172.2-175.465.7000111.7H9 I12 R13 T38 L40 V44 Q45 C46H9-L42 HydrophobicContact CB-CD2 3.63Å; H9-L42 WeakPolarHBondContact CD2-CD2 3.45Å; I12-L42 HydrophobicContact CB-CD2 4.17Å; I12-L42 HydrophobicContact CG2-CB 4.24Å; I12-L42 HydrophobicContact CG2-CD2 4.02Å; I12-L42 HydrophobicContact CG2-CG 3.91Å; R13-L42 HydrophobicContact CG-CD1 4.36Å; R13-L42 HydrophobicContact CG-CD2 4.38Å; T38-L42 PolarHBondContact O-N 3.27Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3Å; L42-V44 VanDerWaalsContact C-N 3.33Å; L42-V44 PolarHBondContact O-N 3.5Å; L42-Q45 PolarHBondContact O-N 3.13Å; L42-C46 WeakPolarHBondContact O-CB 3.3Å; L42-C46 PolarHBondContact O-N 2.89Å; L42-C46 PolarHBondContact O-SG 3.29Å; L42-C46 VanDerWaalsContact O-SG 3.35Å
43A92.7Very high84.5Confident0 Ų052.9 Ų52.90%025%0.251CS..Hα-helixtrans-61.6-42.1177.300000111.8I12 A39 L40 C46 G47 K48 V51 V52 L55I12-A43 HydrophobicContact CG2-CB 3.77Å; A39-A43 WeakPolarHBondContact O-CB 3.38Å; A39-A43 PolarHBondContact O-N 3.13Å; L40-A43 PolarHBondContact O-N 3.49Å; A43-C46 PolarHBondContact O-N 2.96Å; A43-G47 PolarHBondContact O-N 3.11Å; A43-G47 VanDerWaalsContact O-N 3.08Å; A43-K48 PolarHBondContact O-N 3.31Å; A43-V51 HydrophobicContact CB-CB 4.26Å; A43-V51 HydrophobicContact CB-CG1 3.76Å; A43-V52 HydrophobicContact CB-CG2 3.72Å; A43-L55 HydrophobicContact CB-CD1 3.93Å
44V94.1Very high86.3Confident0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-61.4-47.7173.8172.40000110.8L40 L42 C46 G47 V52 P76 V79 A80 I88 L92L40-V44 HydrophobicContact CD1-CG2 4.46Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.45Å; L40-V44 PolarHBondContact O-N 3.24Å; L42-V44 VanDerWaalsContact C-N 3.33Å; L42-V44 PolarHBondContact O-N 3.5Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 3.32Å; V44-G47 PolarHBondContact O-N 3.03Å; V44-V52 HydrophobicContact CG2-CG2 3.81Å; V44-P76 HydrophobicContact CG2-CB 4.35Å; V44-V79 HydrophobicContact CG1-CB 3.96Å; V44-V79 HydrophobicContact CG1-CG1 3.92Å; V44-A80 HydrophobicContact CG1-CB 3.81Å; V44-I88 HydrophobicContact CB-CG2 4.21Å; V44-I88 HydrophobicContact CG1-CG2 3.9Å; V44-I88 HydrophobicContact CG2-CG2 3.75Å; V44-L92 HydrophobicContact CG2-CD1 4.06Å; V44-L92 HydrophobicContact CG2-CD2 4.44Å
45Q91.2Very high88.2Confident55 Ų5533.3 Ų33.326%0.25717%0.171SC..Hα-helixtrans-61.3-40.1179.6-173.8176.616.300112.3S41 L42 G47 V79 L83S41-Q45 WeakPolarHBondContact O-CB 3.43Å; S41-Q45 PolarHBondContact O-N 3.27Å; L42-Q45 PolarHBondContact O-N 3.13Å; Q45-G47 PolarHBondContact O-N 2.9Å; Q45-V79 HydrophobicContact CB-CG1 4.22Å; Q45-L83 HydrophobicContact CB-CD1 4.49Å; Q45-L83 HydrophobicContact CG-CD1 4.33Å
46C91.9Very high89.8Confident47 Ų4732.5 Ų32.532%0.31817%0.165SC..THydrogen-bonded Turntrans-77.7-6.1177.2-66.70000113.6L42 A43 V44 K48L42-C46 WeakPolarHBondContact O-CB 3.3Å; L42-C46 PolarHBondContact O-N 2.89Å; L42-C46 PolarHBondContact O-SG 3.29Å; L42-C46 VanDerWaalsContact O-SG 3.35Å; A43-C46 PolarHBondContact O-N 2.96Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 3.32Å; C46-K48 VanDerWaalsContact C-N 3.33Å; C46-K48 HydrophobicContact CB-CG 3.82Å; C46-K48 PolarHBondContact O-N 3.4Å
47G94Very high91.1Very high25 Ų2535 Ų3526%0.25817%0.174SC..THydrogen-bonded Turntrans69.127.718000000113.9A43 V44 Q45 E49A43-G47 PolarHBondContact O-N 3.11Å; A43-G47 VanDerWaalsContact O-N 3.08Å; V44-G47 PolarHBondContact O-N 3.03Å; Q45-G47 PolarHBondContact O-N 2.9Å; G47-E49 PolarHBondContact O-N 3.49Å
48K95Very high91.8Very high64 Ų6436.1 Ų36.128%0.27819%0.185SC..  trans-90.781.4-176-58.2-65.3-175.1167.50110.4I12 R13 Q14 A43 C46 E50 V51 V52I12-K48 WeakPolarHBondContact O-CG 3.46Å; R13-K48 WeakPolarHBondContact O-CE 3.45Å; R13-K48 PolarHBondContact O-NZ 3.28Å; Q14-K48 PolarHBondContact O-NZ 2.83Å; A43-K48 PolarHBondContact O-N 3.31Å; C46-K48 VanDerWaalsContact C-N 3.33Å; C46-K48 HydrophobicContact CB-CG 3.82Å; C46-K48 PolarHBondContact O-N 3.4Å; K48-E50 PolarHBondContact O-N 3.16Å; K48-V51 HydrophobicContact CB-CB 3.83Å; K48-V51 HydrophobicContact CB-CG2 3.88Å; K48-V51 PolarHBondContact O-N 3.05Å; K48-V51 VanDerWaalsContact O-N 3.1Å; K48-V52 WeakPolarHBondContact O-CG2 3.34Å; K48-V52 PolarHBondContact O-N 3.35Å
49E95.7Very high92Very high82 Ų8238.5 Ų38.538%0.38321%0.213SC..Hα-helixtrans-53.6-48.9-174.3-171.3175.7156.800113.6G47 V51 V52 K53 P87 I88 L91G47-E49 PolarHBondContact O-N 3.49Å; E49-V51 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 3.43Å; E49-V52 WeakPolarHBondContact O-CB 3.39Å; E49-V52 PolarHBondContact O-N 3.35Å; E49-V52 VanDerWaalsContact O-N 3.17Å; E49-K53 PolarHBondContact O-N 3.13Å; E49-P87 HydrophobicContact CG-CB 4.49Å; E49-P87 WeakPolarHBondContact OE2-CB 3.37Å; E49-I88 HydrophobicContact CB-CG1 4.23Å; E49-I88 HydrophobicContact CG-CG1 4.38Å; E49-L91 HydrophobicContact CG-CD1 3.61Å
50E95.3Very high91.9Very high104 Ų10439.6 Ų39.649%0.48622%0.222SC..Hα-helixtrans-63.2-35.5178.7-66.9-56.4144.900112.8I17 K48 K53 L54I17-E50 HydrophobicContact CD1-CB 3.79Å; I17-E50 HydrophobicContact CD1-CG 4.34Å; I17-E50 HydrophobicContact CG1-CB 4.47Å; K48-E50 PolarHBondContact O-N 3.16Å; E50-K53 PolarHBondContact O-N 2.96Å; E50-L54 VanDerWaalsContact O-CB 3.31Å; E50-L54 WeakPolarHBondContact O-CB 3.49Å; E50-L54 PolarHBondContact O-N 3.22Å
51V94.2Very high91.8Very high2 Ų243.5 Ų43.51%0.01224%0.243CC..Hα-helixtrans-69.7-40.7176.3178.50000110.5I12 V20 A43 K48 E49 L54 L55I12-V51 HydrophobicContact CG1-CG1 4.14Å; I12-V51 HydrophobicContact CG2-CG1 4.3Å; V20-V51 HydrophobicContact CG1-CG1 4.15Å; V20-V51 HydrophobicContact CG2-CG1 4.13Å; V20-V51 HydrophobicContact CG2-CG2 4.43Å; A43-V51 HydrophobicContact CB-CB 4.26Å; A43-V51 HydrophobicContact CB-CG1 3.76Å; K48-V51 HydrophobicContact CB-CB 3.83Å; K48-V51 HydrophobicContact CB-CG2 3.88Å; K48-V51 PolarHBondContact O-N 3.05Å; K48-V51 VanDerWaalsContact O-N 3.1Å; E49-V51 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 3.43Å; V51-L54 PolarHBondContact O-N 3.31Å; V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.39Å; V51-L55 WeakPolarHBondContact O-CB 3.44Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.34Å; V51-L55 PolarHBondContact O-N 3.38Å
52V94.7Very high91.9Very high0 Ų044 Ų440%025%0.246CC..Hα-helixtrans-59.2-48.8173.71700000110.3L40 A43 V44 K48 E49 L54 L55 L56 I88 L92L40-V52 HydrophobicContact CD1-CB 4.49Å; L40-V52 HydrophobicContact CD1-CG1 3.96Å; A43-V52 HydrophobicContact CB-CG2 3.72Å; V44-V52 HydrophobicContact CG2-CG2 3.81Å; K48-V52 WeakPolarHBondContact O-CG2 3.34Å; K48-V52 PolarHBondContact O-N 3.35Å; E49-V52 WeakPolarHBondContact O-CB 3.39Å; E49-V52 PolarHBondContact O-N 3.35Å; E49-V52 VanDerWaalsContact O-N 3.17Å; V52-L54 PolarHBondContact O-N 3.37Å; V52-L55 PolarHBondContact O-N 3.23Å; V52-L56 HydrophobicContact CG1-CD1 3.75Å; V52-L56 HydrophobicContact CG1-CG 4.34Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 3.19Å; V52-I88 HydrophobicContact CG1-CG2 4.32Å; V52-I88 HydrophobicContact CG2-CD1 4.47Å; V52-I88 HydrophobicContact CG2-CG2 4.24Å; V52-L92 HydrophobicContact CG1-CD2 4.47Å
53K95.4Very high92Very high86 Ų8646.9 Ų46.937%0.37426%0.261SS..Hα-helixtrans-58.5-47178.5-173.5176.7176.4-178.50111.7E49 E50 L55 L56 Q57 L91E49-K53 PolarHBondContact O-N 3.13Å; E50-K53 PolarHBondContact O-N 2.96Å; K53-L55 PolarHBondContact O-N 3.31Å; K53-L56 PolarHBondContact O-N 2.98Å; K53-Q57 WeakPolarHBondContact O-CB 3.38Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.47Å; K53-Q57 PolarHBondContact O-N 3.41Å; K53-L91 HydrophobicContact CB-CD1 4.25Å
54L92.5Very high91.8Very high20 Ų2050.9 Ų50.911%0.10528%0.28CS..Hα-helixtrans-59-46.3177-170.696.7000111.9I17 V20 K21 I24 E50 V51 V52 Q57 N58I17-L54 HydrophobicContact CG2-CD1 4.35Å; V20-L54 HydrophobicContact CB-CD2 4Å; V20-L54 HydrophobicContact CG1-CD2 3.62Å; K21-L54 HydrophobicContact CD-CD1 4.32Å; K21-L54 HydrophobicContact CG-CD1 3.69Å; K21-L54 HydrophobicContact CG-CD2 3.85Å; K21-L54 HydrophobicContact CG-CG 4.36Å; I24-L54 HydrophobicContact CD1-CD2 3.4Å; I24-L54 VanDerWaalsContact CD1-CD2 3.4Å; I24-L54 HydrophobicContact CD1-CG 3.86Å; E50-L54 VanDerWaalsContact O-CB 3.31Å; E50-L54 WeakPolarHBondContact O-CB 3.49Å; E50-L54 PolarHBondContact O-N 3.22Å; V51-L54 PolarHBondContact O-N 3.31Å; V52-L54 PolarHBondContact O-N 3.37Å; L54-Q57 PolarHBondContact O-N 2.96Å; L54-N58 PolarHBondContact O-N 3.27Å; L54-N58 PolarHBondContact O-ND2 3.32Å
55L90.9Very high91.5Very high4 Ų454.8 Ų54.82%0.02130%0.304CS..Hα-helixtrans-64.3-43.7-179.9-72.6168.9000111.7V20 I24 L30 A39 L40 A43 V51 V52 K53 N58 G59 A60V20-L55 HydrophobicContact CG1-CD2 4.28Å; I24-L55 HydrophobicContact CD1-CD2 3.96Å; I24-L55 HydrophobicContact CG1-CD2 4.09Å; L30-L55 HydrophobicContact CD2-CD2 3.96Å; A39-L55 HydrophobicContact CB-CD1 4.2Å; A39-L55 HydrophobicContact CB-CD2 4.19Å; L40-L55 HydrophobicContact CD1-CB 4.27Å; A43-L55 HydrophobicContact CB-CD1 3.93Å; V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.39Å; V51-L55 WeakPolarHBondContact O-CB 3.44Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.34Å; V51-L55 PolarHBondContact O-N 3.38Å; V52-L55 PolarHBondContact O-N 3.23Å; K53-L55 PolarHBondContact O-N 3.31Å; L55-N58 CarbonylContact O-C 3.43Å; L55-N58 PolarHBondContact O-N 3.03Å; L55-G59 PolarHBondContact O-N 2.96Å; L55-A60 HydrophobicContact CB-CB 4.05Å; L55-A60 WeakPolarHBondContact O-CB 3.39Å; L55-A60 PolarHBondContact O-N 3.1Å
56L91.8Very high91.3Very high13 Ų1352.5 Ų52.57%0.06829%0.293CS..Hα-helixtrans-64.1-43.2178-67.9170.8000111.8L40 V52 K53 N58 G59 V62 L91 L92 N95L40-L56 HydrophobicContact CD1-CD2 4.07Å; L40-L56 HydrophobicContact CD1-CG 4.11Å; L40-L56 HydrophobicContact CD2-CD2 3.86Å; V52-L56 HydrophobicContact CG1-CD1 3.75Å; V52-L56 HydrophobicContact CG1-CG 4.34Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.35Å; V52-L56 PolarHBondContact O-N 3.19Å; K53-L56 PolarHBondContact O-N 2.98Å; L56-N58 PolarHBondContact O-N 3.33Å; L56-N58 VanDerWaalsContact O-N 3.17Å; L56-G59 PolarHBondContact O-N 3.3Å; L56-V62 HydrophobicContact CD2-CB 3.91Å; L56-V62 HydrophobicContact CD2-CG2 3.83Å; L56-L91 HydrophobicContact CD1-CB 4.37Å; L56-L92 HydrophobicContact CD1-CD2 4.22Å; L56-L92 HydrophobicContact CD2-CD2 4.36Å; L56-N95 HydrophobicContact CD1-CB 4.16Å; L56-N95 HydrophobicContact CD2-CB 4.3Å
57Q91.4Very high91Very high131 Ų13155.3 Ų55.361%0.61230%0.298SS*.Hα-helixtrans-60.7-24.8176.1-75175.9-14.200113.3K53 L54K53-Q57 WeakPolarHBondContact O-CB 3.38Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.47Å; K53-Q57 PolarHBondContact O-N 3.41Å; L54-Q57 PolarHBondContact O-N 2.96Å
58N88.2Confident90.3Very high91 Ų9155 Ų5549%0.48729%0.29SS..THydrogen-bonded Turntrans-10021.7178.5-72.6-86.9000113I24 L54 L55 L56I24-N58 HydrophobicContact CD1-CB 4.19Å; I24-N58 HydrophobicContact CG2-CB 3.54Å; L54-N58 PolarHBondContact O-N 3.27Å; L54-N58 PolarHBondContact O-ND2 3.32Å; L55-N58 CarbonylContact O-C 3.43Å; L55-N58 PolarHBondContact O-N 3.03Å; L56-N58 PolarHBondContact O-N 3.33Å; L56-N58 VanDerWaalsContact O-N 3.17Å
59G84.8Confident89.4Confident67 Ų6757.5 Ų57.569%0.69130%0.303SS*.THydrogen-bonded Turntrans79.221.8170.200000114.8L55 L56 D61L55-G59 PolarHBondContact O-N 2.96Å; L56-G59 PolarHBondContact O-N 3.3Å; G59-D61 PolarHBondContact O-N 3.35Å
60A86.3Confident88.7Confident31 Ų3160 Ų6026%0.25631%0.313SS..  trans-59131166.100000109.8L40 L55 V62L40-A60 HydrophobicContact CB-CB 4.47Å; L40-A60 HydrophobicContact CD2-CB 4.43Å; L55-A60 HydrophobicContact CB-CB 4.05Å; L55-A60 WeakPolarHBondContact O-CB 3.39Å; L55-A60 PolarHBondContact O-N 3.1Å; A60-V62 PolarHBondContact O-N 3.24Å; A60-V62 VanDerWaalsContact O-N 3.07Å
61D88.5Confident88Confident87 Ų8764.1 Ų64.147%0.46532%0.324SS..  trans-68.6110178174.46.4000109.9G59 N63 Q64G59-D61 PolarHBondContact O-N 3.35Å; D61-N63 PolarHBondContact O-N 2.96Å; D61-N63 PolarHBondContact OD1-N 3.11Å; D61-Q64 HydrophobicContact CB-CB 3.9Å; D61-Q64 WeakPolarHBondContact O-CB 3.43Å; D61-Q64 PolarHBondContact O-N 3.37Å; D61-Q64 VanDerWaalsContact O-N 3.11Å; D61-Q64 PolarHBondContact OD1-N 3.33Å
62V92.4Very high87.6Confident13 Ų1366.5 Ų66.58%0.07934%0.337CS..THydrogen-bonded Turntrans-61.7-25.6-177.573.10000113L56 A60 P76 L92 N95 A97L56-V62 HydrophobicContact CD2-CB 3.91Å; L56-V62 HydrophobicContact CD2-CG2 3.83Å; A60-V62 PolarHBondContact O-N 3.24Å; A60-V62 VanDerWaalsContact O-N 3.07Å; V62-P76 WeakPolarHBondContact O-CD 3.5Å; V62-P76 WeakPolarHBondContact O-CG 3.13Å; V62-L92 HydrophobicContact CG2-CB 4.24Å; V62-L92 HydrophobicContact CG2-CD2 3.74Å; V62-L92 WeakPolarHBondContact CG2-O 3.22Å; V62-N95 WeakPolarHBondContact CG1-O 2.94Å; V62-N95 HydrophobicContact CG2-CB 4.32Å; V62-A97 HydrophobicContact CG2-CB 3.83Å
63N91.5Very high87.3Confident62 Ų6268.8 Ų68.833%0.33235%0.351SS..THydrogen-bonded Turntrans-101.42.5-179-68.1-56.7000112.2D61 V65 G96 A97 S98D61-N63 PolarHBondContact O-N 2.96Å; D61-N63 PolarHBondContact OD1-N 3.11Å; N63-V65 PolarHBondContact O-N 2.84Å; N63-G96 PolarHBondContact ND2-O 2.89Å; N63-G96 VanDerWaalsContact ND2-O 3.13Å; N63-A97 WeakPolarHBondContact OD1-CA 3.46Å; N63-S98 PolarHBondContact OD1-N 3.48Å
64Q88.4Confident87Confident85 Ų8564.9 Ų64.940%0.39733%0.334SS..  trans-64.4109.1-178-167.5172.519.600110.9T38 D61 S66 P76T38-Q64 HydrophobicContact CG2-CB 4.44Å; T38-Q64 HydrophobicContact CG2-CG 3.86Å; D61-Q64 HydrophobicContact CB-CB 3.9Å; D61-Q64 WeakPolarHBondContact O-CB 3.43Å; D61-Q64 PolarHBondContact O-N 3.37Å; D61-Q64 VanDerWaalsContact O-N 3.11Å; D61-Q64 PolarHBondContact OD1-N 3.33Å; Q64-S66 PolarHBondContact O-N 2.98Å; Q64-P76 WeakPolarHBondContact O-CD 3.48Å
65V87.9Confident87Confident82 Ų8264.3 Ų64.350%0.49733%0.333SS..  trans-66.4134.9178.5-175.90000109.3N63 P73N63-V65 PolarHBondContact O-N 2.84Å; V65-P73 HydrophobicContact CG1-CB 3.55Å
66S86.6Confident87.1Confident6 Ų664.1 Ų64.14%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-125.6176.7172.373.70000109.1L36 S41 Q64 P73 L74L36-S66 WeakPolarHBondContact O-CB 3.32Å; S41-S66 WeakPolarHBondContact CB-OG 3.15Å; S41-S66 VanDerWaalsContact OG-CB 3.25Å; S41-S66 WeakPolarHBondContact OG-CB 3.43Å; S41-S66 PolarHBondContact OG-OG 3.48Å; Q64-S66 PolarHBondContact O-N 2.98Å; S66-P73 CarbonylContact O-C 3.49Å; S66-P73 WeakPolarHBondContact O-CA 3.26Å; S66-L74 PolarHBondContact N-O 3.25Å; S66-L74 PolarHBondContact O-N 3.18Å
67Y85.1Confident87.3Confident107 Ų10763.6 Ų63.642%0.4233%0.329SS..EExtended strand (participates in β ladder)trans-106.8138.1175.5-46.9-101.2000112.2L36 R37 R71 L72 P73L36-Y67 HydrophobicContact CB-CD2 4.08Å; L36-Y67 HydrophobicContact CB-CG 4.45Å; L36-Y67 HydrophobicContact CD2-CD2 3.44Å; L36-Y67 VanDerWaalsContact CD2-CD2 3.44Å; L36-Y67 HydrophobicContact CD2-CE2 3.9Å; L36-Y67 HydrophobicContact CD2-CG 3.94Å; L36-Y67 HydrophobicContact CG-CD2 4.33Å; L36-Y67 PolarHBondContact O-N 3.28Å; R37-Y67 WeakPolarHBondContact CG-O 3.31Å; Y67-R71 VanDerWaalsContact CD1-O 3.27Å; Y67-R71 WeakPolarHBondContact CD1-O 3.46Å; Y67-L72 VanDerWaalsContact CA-O 3.24Å; Y67-L72 WeakPolarHBondContact CA-O 3.44Å; Y67-P73 HydrophobicContact CD1-CB 4.3Å; Y67-P73 HydrophobicContact CE1-CB 4.22Å
68D80.5Confident87.4Confident18 Ų1857.3 Ų57.310%0.09630%0.3CS..  trans-73.5-175.1173.173.71.1000112.3F70 R71 L72 L74 R82D68-F70 PolarHBondContact O-N 2.94Å; D68-F70 WeakPolarHBondContact OD1-CA 3.44Å; D68-F70 WeakPolarHBondContact OD1-CB 3.48Å; D68-F70 PolarHBondContact OD1-N 3.46Å; D68-R71 PolarHBondContact O-N 3.37Å; D68-R71 PolarHBondContact OD1-N 2.93Å; D68-L72 PolarHBondContact N-O 3.41Å; D68-L72 WeakPolarHBondContact OD1-CB 3.23Å; D68-L72 PolarHBondContact OD1-N 3.08Å; D68-L74 HydrophobicContact CB-CD1 3.58Å; D68-L74 VanDerWaalsContact CG-CD1 3.48Å; D68-L74 VanDerWaalsContact OD2-CD1 3.22Å; D68-L74 WeakPolarHBondContact OD2-CD1 3.29Å; D68-R82 IonicContact OD2-CZ 3.68Å; D68-R82 IonicContact OD2-NH1 2.81Å; D68-R82 PolarHBondContact OD2-NH1 2.77Å; D68-R82 IonicContact OD2-NH2 3.64Å
69E76.3Confident87.7Confident116 Ų11653.9 Ų53.954%0.54228%0.282SS..THydrogen-bonded Turntrans-58.7-20.417660.7-141-159.500115R71E69-R71 VanDerWaalsContact C-N 3.34Å
70F80.2Confident88.1Confident136 Ų13650.7 Ų50.760%0.59625%0.249SC*.THydrogen-bonded Turntrans-95.99.7176.5-56.2-74000112.6D68 L72D68-F70 PolarHBondContact O-N 2.94Å; D68-F70 WeakPolarHBondContact OD1-CA 3.44Å; D68-F70 WeakPolarHBondContact OD1-CB 3.48Å; D68-F70 PolarHBondContact OD1-N 3.46Å; F70-L72 HydrophobicContact CB-CD1 4.23Å; F70-L72 HydrophobicContact CB-CG 4.1Å; F70-L72 PolarHBondContact O-N 3.43Å
71R81.3Confident88.5Confident190 Ų19049.2 Ų49.272%0.71724%0.237SC*.SBendtrans59.430.9-174.4-52-173174.4176.8-1.5113L36 Y67 D68 E69L36-R71 HydrophobicContact CD1-CG 3.83Å; Y67-R71 VanDerWaalsContact CD1-O 3.27Å; Y67-R71 WeakPolarHBondContact CD1-O 3.46Å; D68-R71 PolarHBondContact O-N 3.37Å; D68-R71 PolarHBondContact OD1-N 2.93Å; E69-R71 VanDerWaalsContact C-N 3.34Å
72L84.4Confident88.6Confident52 Ų5249.5 Ų49.527%0.27223%0.231SC..  trans-95.5135175.4-61.4177.7000110.5Y67 D68 F70 L74 F105Y67-L72 VanDerWaalsContact CA-O 3.24Å; Y67-L72 WeakPolarHBondContact CA-O 3.44Å; D68-L72 PolarHBondContact N-O 3.41Å; D68-L72 WeakPolarHBondContact OD1-CB 3.23Å; D68-L72 PolarHBondContact OD1-N 3.08Å; F70-L72 HydrophobicContact CB-CD1 4.23Å; F70-L72 HydrophobicContact CB-CG 4.1Å; F70-L72 PolarHBondContact O-N 3.43Å; L72-L74 HydrophobicContact CB-CD1 4.47Å; L72-L74 PolarHBondContact O-N 2.9Å; L72-F105 HydrophobicContact CD1-CE2 3.69Å; L72-F105 HydrophobicContact CD1-CZ 3.92Å
73P88.4Confident88.6Confident48 Ų4852.7 Ų52.731%0.31225%0.248SC..EExtended strand (participates in β ladder)trans-67.2124.5179.627.1-32.8000110.7V65 S66 Y67 C104V65-P73 HydrophobicContact CG1-CB 3.55Å; S66-P73 CarbonylContact O-C 3.49Å; S66-P73 WeakPolarHBondContact O-CA 3.26Å; Y67-P73 HydrophobicContact CD1-CB 4.3Å; Y67-P73 HydrophobicContact CE1-CB 4.22Å; P73-C104 HydrophobicContact CG-CB 4.21Å
74L89.7Confident88.7Confident3 Ų351.3 Ų51.32%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-136.6129.7176.6-82.5128.9000111.2S66 D68 L72 L78 V79 D103S66-L74 PolarHBondContact N-O 3.25Å; S66-L74 PolarHBondContact O-N 3.18Å; D68-L74 HydrophobicContact CB-CD1 3.58Å; D68-L74 VanDerWaalsContact CG-CD1 3.48Å; D68-L74 VanDerWaalsContact OD2-CD1 3.22Å; D68-L74 WeakPolarHBondContact OD2-CD1 3.29Å; L72-L74 HydrophobicContact CB-CD1 4.47Å; L72-L74 PolarHBondContact O-N 2.9Å; L74-L78 HydrophobicContact CD2-CB 3.54Å; L74-L78 HydrophobicContact CD2-CD1 4.21Å; L74-V79 HydrophobicContact CB-CG2 3.93Å; L74-D103 HydrophobicContact CD2-CB 4.4Å
75A92.6Very high89Confident9 Ų951.4 Ų51.47%0.07425%0.247CC..  trans-66.8149.3166.700000110.4L77 L78 V79A75-L77 PolarHBondContact O-N 3.36Å; A75-L77 VanDerWaalsContact O-N 3.15Å; A75-L78 HydrophobicContact CB-CD1 4.28Å; A75-L78 HydrophobicContact CB-CG 4.36Å; A75-L78 PolarHBondContact O-N 3.35Å; A75-V79 PolarHBondContact O-N 3.38Å
76P93.7Very high89.4Confident0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-52.9-38.6179.5-28.737.1000113.2L40 V44 V62 Q64 L78 V79 A80 L92L40-P76 HydrophobicContact CD2-CB 4.29Å; L40-P76 HydrophobicContact CD2-CG 4.02Å; L40-P76 HydrophobicContact CG-CB 4.44Å; L40-P76 HydrophobicContact CG-CG 4.41Å; V44-P76 HydrophobicContact CG2-CB 4.35Å; V62-P76 WeakPolarHBondContact O-CD 3.5Å; V62-P76 WeakPolarHBondContact O-CG 3.13Å; Q64-P76 WeakPolarHBondContact O-CD 3.48Å; P76-L78 VanDerWaalsContact C-N 3.35Å; P76-L78 PolarHBondContact O-N 3.12Å; P76-V79 PolarHBondContact O-N 2.95Å; P76-A80 PolarHBondContact O-N 3.19Å; P76-L92 HydrophobicContact CB-CD1 4.09Å; P76-L92 HydrophobicContact CB-CD2 4Å
77L96Very high89.9Confident1 Ų151.4 Ų51.41%0.00525%0.248CC..Hα-helixtrans-59.9-43.2176.9-178.863.3000112.2A75 V79 A80 C81 A89 L92 L93 A97 S98 A109 L125A75-L77 PolarHBondContact O-N 3.36Å; A75-L77 VanDerWaalsContact O-N 3.15Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 3.49Å; L77-A80 WeakPolarHBondContact O-CB 3.34Å; L77-A80 PolarHBondContact O-N 2.87Å; L77-C81 WeakPolarHBondContact O-CB 3.01Å; L77-C81 PolarHBondContact O-N 2.98Å; L77-C81 PolarHBondContact O-SG 3.1Å; L77-A89 HydrophobicContact CD1-CB 4.14Å; L77-L92 HydrophobicContact CD1-CB 4.42Å; L77-L93 HydrophobicContact CD1-CD1 4.26Å; L77-L93 HydrophobicContact CD1-CD2 4.18Å; L77-L93 HydrophobicContact CD1-CG 3.87Å; L77-L93 HydrophobicContact CD2-CD2 3.73Å; L77-L93 HydrophobicContact CD2-CG 4.35Å; L77-A97 HydrophobicContact CB-CB 4.18Å; L77-A97 HydrophobicContact CD2-CB 4.27Å; L77-S98 VanDerWaalsContact CD2-O 3.23Å; L77-S98 WeakPolarHBondContact CD2-O 3.42Å; L77-A109 HydrophobicContact CD2-CB 4.32Å; L77-L125 HydrophobicContact CD2-CD2 4.18Å
78L93.5Very high90.4Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-66.6-35.1179.8-61.5172.5000111.9L74 A75 P76 C81 R82 S101 T102 D103 A109 I112L74-L78 HydrophobicContact CD2-CB 3.54Å; L74-L78 HydrophobicContact CD2-CD1 4.21Å; A75-L78 HydrophobicContact CB-CD1 4.28Å; A75-L78 HydrophobicContact CB-CG 4.36Å; A75-L78 PolarHBondContact O-N 3.35Å; P76-L78 VanDerWaalsContact C-N 3.35Å; P76-L78 PolarHBondContact O-N 3.12Å; L78-C81 PolarHBondContact O-N 3.23Å; L78-R82 WeakPolarHBondContact O-CB 3.29Å; L78-R82 WeakPolarHBondContact O-CG 3.48Å; L78-R82 PolarHBondContact O-N 2.69Å; L78-S101 WeakPolarHBondContact CD2-O 3.34Å; L78-T102 WeakPolarHBondContact CD1-O 3.5Å; L78-D103 HydrophobicContact CD1-CB 4.32Å; L78-A109 HydrophobicContact CD2-CB 3.82Å; L78-I112 HydrophobicContact CB-CD1 4.3Å; L78-I112 HydrophobicContact CD2-CD1 3.71Å
79V92.7Very high91.3Very high19 Ų1945.6 Ų45.612%0.11522%0.224CC..Hα-helixtrans-63-47.4172.8-176.80000110V44 Q45 L74 A75 P76 L77 C81 R82 L83V44-V79 HydrophobicContact CG1-CB 3.96Å; V44-V79 HydrophobicContact CG1-CG1 3.92Å; Q45-V79 HydrophobicContact CB-CG1 4.22Å; L74-V79 HydrophobicContact CB-CG2 3.93Å; A75-V79 PolarHBondContact O-N 3.38Å; P76-V79 PolarHBondContact O-N 2.95Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 3.49Å; V79-C81 VanDerWaalsContact C-N 3.3Å; V79-C81 PolarHBondContact O-N 3.42Å; V79-R82 PolarHBondContact O-N 3.18Å; V79-L83 HydrophobicContact CG1-CD1 3.89Å; V79-L83 WeakPolarHBondContact O-CB 3.44Å; V79-L83 WeakPolarHBondContact O-CG 3.25Å; V79-L83 PolarHBondContact O-N 2.72Å; V79-L83 VanDerWaalsContact O-N 3.08Å
80A94.9Very high92.3Very high0 Ų045.1 Ų45.10%022%0.217CC..Hα-helixtrans-59.3-42.2176.700000111.6V44 P76 L77 L83 G84 K85 I88 A89 L92V44-A80 HydrophobicContact CG1-CB 3.81Å; P76-A80 PolarHBondContact O-N 3.19Å; L77-A80 WeakPolarHBondContact O-CB 3.34Å; L77-A80 PolarHBondContact O-N 2.87Å; A80-L83 PolarHBondContact O-N 3.15Å; A80-G84 PolarHBondContact O-N 3.24Å; A80-K85 PolarHBondContact O-N 3.17Å; A80-I88 HydrophobicContact CB-CG2 4.04Å; A80-A89 HydrophobicContact CB-CB 4.02Å; A80-L92 HydrophobicContact CB-CD1 3.93Å
81C94.3Very high93.1Very high0 Ų039.8 Ų39.80%020%0.195CC..Hα-helixtrans-65.3-46.1177.4-69.40000112.7L77 L78 V79 L83 G84 I112 L121L77-C81 WeakPolarHBondContact O-CB 3.01Å; L77-C81 PolarHBondContact O-N 2.98Å; L77-C81 PolarHBondContact O-SG 3.1Å; L78-C81 PolarHBondContact O-N 3.23Å; V79-C81 VanDerWaalsContact C-N 3.3Å; V79-C81 PolarHBondContact O-N 3.42Å; C81-L83 PolarHBondContact O-N 2.95Å; C81-G84 PolarHBondContact O-N 3.26Å; C81-G84 VanDerWaalsContact O-N 3.14Å; C81-I112 HydrophobicContact CB-CB 4.34Å; C81-I112 HydrophobicContact CB-CG2 3.79Å; C81-L121 HydrophobicContact CB-CD2 3.87Å
82R91.2Very high93.8Very high92 Ų9230.7 Ų30.735%0.34716%0.161SC..Hα-helixtrans-59.1-36.1177.4-79.4177.864.1176.8-4.5111.9D68 L78 V79 I112D68-R82 IonicContact OD2-CZ 3.68Å; D68-R82 IonicContact OD2-NH1 2.81Å; D68-R82 PolarHBondContact OD2-NH1 2.77Å; D68-R82 IonicContact OD2-NH2 3.64Å; L78-R82 WeakPolarHBondContact O-CB 3.29Å; L78-R82 WeakPolarHBondContact O-CG 3.48Å; L78-R82 PolarHBondContact O-N 2.69Å; V79-R82 PolarHBondContact O-N 3.18Å; R82-I112 HydrophobicContact CB-CG2 4.21Å; R82-I112 HydrophobicContact CG-CD1 4.19Å; R82-I112 HydrophobicContact CG-CG2 3.58Å
83L91.3Very high94.4Very high81 Ų8128.7 Ų28.742%0.42415%0.15SC..THydrogen-bonded Turntrans-90-1.8-178.8-62176.3000113.7Q45 V79 A80 C81 K85Q45-L83 HydrophobicContact CB-CD1 4.49Å; Q45-L83 HydrophobicContact CG-CD1 4.33Å; V79-L83 HydrophobicContact CG1-CD1 3.89Å; V79-L83 WeakPolarHBondContact O-CB 3.44Å; V79-L83 WeakPolarHBondContact O-CG 3.25Å; V79-L83 PolarHBondContact O-N 2.72Å; V79-L83 VanDerWaalsContact O-N 3.08Å; A80-L83 PolarHBondContact O-N 3.15Å; C81-L83 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact C-N 3.26Å; L83-K85 HydrophobicContact CB-CG 3.83Å; L83-K85 PolarHBondContact O-N 3.43Å
84G93Very high94.8Very high32 Ų3231.6 Ų31.633%0.3316%0.159SC..THydrogen-bonded Turntrans64.125.7-178.300000114.2A80 C81 V86A80-G84 PolarHBondContact O-N 3.24Å; C81-G84 PolarHBondContact O-N 3.26Å; C81-G84 VanDerWaalsContact O-N 3.14Å; G84-V86 VanDerWaalsContact C-N 3.35Å; G84-V86 PolarHBondContact O-N 2.76Å
85K94.6Very high95.1Very high87 Ų8735 Ų3538%0.37818%0.178SC..  trans-84.675.3-176.9-60.6-63.3-177.8179.60110.8A80 L83 I88 A89A80-K85 PolarHBondContact O-N 3.17Å; L83-K85 VanDerWaalsContact C-N 3.26Å; L83-K85 HydrophobicContact CB-CG 3.83Å; L83-K85 PolarHBondContact O-N 3.43Å; K85-I88 HydrophobicContact CB-CB 4.06Å; K85-I88 HydrophobicContact CB-CD1 4.18Å; K85-I88 HydrophobicContact CB-CG1 4.46Å; K85-I88 HydrophobicContact CG-CD1 4.49Å; K85-I88 PolarHBondContact O-N 3.06Å; K85-I88 VanDerWaalsContact O-N 3.17Å; K85-A89 PolarHBondContact O-N 2.76Å
86V96.2Very high95.2Very high28 Ų2836.9 Ų36.917%0.1720%0.198CC..Hα-helixtrans-53.5-46-176.1-175.80000113.7G84 I88 A89 R90 E120 L121 L124G84-V86 VanDerWaalsContact C-N 3.35Å; G84-V86 PolarHBondContact O-N 2.76Å; V86-I88 VanDerWaalsContact C-N 3.33Å; V86-I88 PolarHBondContact O-N 3.36Å; V86-A89 PolarHBondContact O-N 3.22Å; V86-R90 WeakPolarHBondContact O-CB 3.47Å; V86-R90 PolarHBondContact O-N 2.87Å; V86-E120 HydrophobicContact CG1-CB 4.2Å; V86-E120 HydrophobicContact CG2-CB 4.19Å; V86-L121 HydrophobicContact CG2-CB 4.19Å; V86-L124 HydrophobicContact CG1-CD2 4.41Å
87P97.1Very high95.3Very high60 Ų6037.1 Ų37.139%0.3920%0.2SC..Hα-helixtrans-62-40.4179.3-23.735.4000112.8E49 R90 L91E49-P87 HydrophobicContact CG-CB 4.49Å; E49-P87 WeakPolarHBondContact OE2-CB 3.37Å; P87-R90 WeakPolarHBondContact O-CB 3.27Å; P87-R90 PolarHBondContact O-N 3.16Å; P87-L91 PolarHBondContact O-N 3.36Å
88I97.5Very high95.2Very high4 Ų439.4 Ų39.42%0.02122%0.216CC..Hα-helixtrans-70.2-42.4178.4-68.3173.1000111V44 E49 V52 A80 K85 V86 R90 L91 L92V44-I88 HydrophobicContact CB-CG2 4.21Å; V44-I88 HydrophobicContact CG1-CG2 3.9Å; V44-I88 HydrophobicContact CG2-CG2 3.75Å; E49-I88 HydrophobicContact CB-CG1 4.23Å; E49-I88 HydrophobicContact CG-CG1 4.38Å; V52-I88 HydrophobicContact CG1-CG2 4.32Å; V52-I88 HydrophobicContact CG2-CD1 4.47Å; V52-I88 HydrophobicContact CG2-CG2 4.24Å; A80-I88 HydrophobicContact CB-CG2 4.04Å; K85-I88 HydrophobicContact CB-CB 4.06Å; K85-I88 HydrophobicContact CB-CD1 4.18Å; K85-I88 HydrophobicContact CB-CG1 4.46Å; K85-I88 HydrophobicContact CG-CD1 4.49Å; K85-I88 PolarHBondContact O-N 3.06Å; K85-I88 VanDerWaalsContact O-N 3.17Å; V86-I88 VanDerWaalsContact C-N 3.33Å; V86-I88 PolarHBondContact O-N 3.36Å; I88-R90 PolarHBondContact O-N 3.08Å; I88-L91 PolarHBondContact O-N 2.89Å; I88-L92 HydrophobicContact CG2-CD1 3.98Å; I88-L92 HydrophobicContact CG2-CG 4.37Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.24Å; I88-L92 PolarHBondContact O-N 3.46Å
89A97.4Very high95.2Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-58.5-38.5174.500000111.3L77 A80 K85 V86 L92 L93 L121 L124L77-A89 HydrophobicContact CD1-CB 4.14Å; A80-A89 HydrophobicContact CB-CB 4.02Å; K85-A89 PolarHBondContact O-N 2.76Å; V86-A89 PolarHBondContact O-N 3.22Å; A89-L92 PolarHBondContact O-N 2.78Å; A89-L93 WeakPolarHBondContact O-CB 3.15Å; A89-L93 WeakPolarHBondContact O-CG 3.45Å; A89-L93 PolarHBondContact O-N 3.09Å; A89-L121 HydrophobicContact CB-CD1 3.53Å; A89-L124 HydrophobicContact CB-CD2 3.89Å
90R97.7Very high95.2Very high106 Ų10642.9 Ų42.940%0.424%0.235SC..Hα-helixtrans-63-51.4175.9178.5-175.7-56.1-74.2-3111.1V86 P87 I88 L92 L93 E94 L124V86-R90 WeakPolarHBondContact O-CB 3.47Å; V86-R90 PolarHBondContact O-N 2.87Å; P87-R90 WeakPolarHBondContact O-CB 3.27Å; P87-R90 PolarHBondContact O-N 3.16Å; I88-R90 PolarHBondContact O-N 3.08Å; R90-L92 VanDerWaalsContact C-N 3.27Å; R90-L92 PolarHBondContact O-N 3.47Å; R90-L93 PolarHBondContact O-N 3.06Å; R90-E94 WeakPolarHBondContact CD-OE1 3.42Å; R90-E94 HydrophobicContact CG-CG 4.27Å; R90-E94 WeakPolarHBondContact CG-OE1 3.43Å; R90-E94 WeakPolarHBondContact O-CB 3.16Å; R90-E94 WeakPolarHBondContact O-CG 3.42Å; R90-E94 PolarHBondContact O-N 3.01Å; R90-L124 HydrophobicContact CB-CD1 3.97Å; R90-L124 HydrophobicContact CB-CD2 3.87Å; R90-L124 HydrophobicContact CG-CD1 4.05Å
91L96.9Very high94.9Very high23 Ų2343.6 Ų43.612%0.1224%0.241CC..Hα-helixtrans-55.8-43.2177-73.4173000112E49 K53 L56 P87 I88 N95E49-L91 HydrophobicContact CG-CD1 3.61Å; K53-L91 HydrophobicContact CB-CD1 4.25Å; L56-L91 HydrophobicContact CD1-CB 4.37Å; P87-L91 PolarHBondContact O-N 3.36Å; I88-L91 PolarHBondContact O-N 2.89Å; L91-N95 WeakPolarHBondContact O-CB 3.31Å; L91-N95 PolarHBondContact O-N 3.47Å; L91-N95 VanDerWaalsContact O-N 3.11Å; L91-N95 PolarHBondContact O-ND2 2.97Å
92L97.3Very high94.7Very high0 Ų047.1 Ų47.10%026%0.262CS..Hα-helixtrans-63.2-47.7178.4-68.2169.8000111.3L40 V44 V52 L56 V62 P76 L77 A80 I88 A89 R90 N95 G96 A97L40-L92 HydrophobicContact CD1-CD2 4.42Å; L40-L92 HydrophobicContact CD2-CD2 4.27Å; V44-L92 HydrophobicContact CG2-CD1 4.06Å; V44-L92 HydrophobicContact CG2-CD2 4.44Å; V52-L92 HydrophobicContact CG1-CD2 4.47Å; L56-L92 HydrophobicContact CD1-CD2 4.22Å; L56-L92 HydrophobicContact CD2-CD2 4.36Å; V62-L92 HydrophobicContact CG2-CB 4.24Å; V62-L92 HydrophobicContact CG2-CD2 3.74Å; V62-L92 WeakPolarHBondContact CG2-O 3.22Å; P76-L92 HydrophobicContact CB-CD1 4.09Å; P76-L92 HydrophobicContact CB-CD2 4Å; L77-L92 HydrophobicContact CD1-CB 4.42Å; A80-L92 HydrophobicContact CB-CD1 3.93Å; I88-L92 HydrophobicContact CG2-CD1 3.98Å; I88-L92 HydrophobicContact CG2-CG 4.37Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.24Å; I88-L92 PolarHBondContact O-N 3.46Å; A89-L92 PolarHBondContact O-N 2.78Å; R90-L92 VanDerWaalsContact C-N 3.27Å; R90-L92 PolarHBondContact O-N 3.47Å; L92-N95 CarbonylContact O-C 3.53Å; L92-N95 PolarHBondContact O-N 3.39Å; L92-G96 PolarHBondContact O-N 3.33Å; L92-A97 VanDerWaalsContact C-CB 3.46Å; L92-A97 HydrophobicContact CB-CB 3.96Å; L92-A97 WeakPolarHBondContact O-CB 3.07Å; L92-A97 PolarHBondContact O-N 3.17Å
93L97.3Very high94.6Very high9 Ų943.7 Ų43.75%0.04725%0.251CS..Hα-helixtrans-64.5-40.2179.1-73.2166.2000112.7L77 A89 R90 N95 G96 P99 L124 L125 H128L77-L93 HydrophobicContact CD1-CD1 4.26Å; L77-L93 HydrophobicContact CD1-CD2 4.18Å; L77-L93 HydrophobicContact CD1-CG 3.87Å; L77-L93 HydrophobicContact CD2-CD2 3.73Å; L77-L93 HydrophobicContact CD2-CG 4.35Å; A89-L93 WeakPolarHBondContact O-CB 3.15Å; A89-L93 WeakPolarHBondContact O-CG 3.45Å; A89-L93 PolarHBondContact O-N 3.09Å; R90-L93 PolarHBondContact O-N 3.06Å; L93-N95 PolarHBondContact O-N 3.34Å; L93-G96 PolarHBondContact O-N 3.34Å; L93-G96 VanDerWaalsContact O-N 3.14Å; L93-P99 HydrophobicContact CD2-CB 3.91Å; L93-L124 HydrophobicContact CD1-CD1 4.4Å; L93-L124 HydrophobicContact CD1-CD2 3.87Å; L93-L124 HydrophobicContact CD1-CG 3.65Å; L93-L125 HydrophobicContact CD1-CD2 4.14Å; L93-L125 HydrophobicContact CD2-CD2 4.46Å; L93-H128 HydrophobicContact CB-CB 4.47Å; L93-H128 HydrophobicContact CD1-CB 4.27Å; L93-H128 HydrophobicContact CD2-CB 4.1Å
94E96.3Very high94.3Very high109 Ų10942.9 Ų42.951%0.50925%0.251SS..Hα-helixtrans-64.3-26.6175-72.9171.2179.300112.6R90R90-E94 WeakPolarHBondContact CD-OE1 3.42Å; R90-E94 HydrophobicContact CG-CG 4.27Å; R90-E94 WeakPolarHBondContact CG-OE1 3.43Å; R90-E94 WeakPolarHBondContact O-CB 3.16Å; R90-E94 WeakPolarHBondContact O-CG 3.42Å; R90-E94 PolarHBondContact O-N 3.01Å
95N96.2Very high94Very high75 Ų7547.3 Ų47.340%0.40126%0.261SS..THydrogen-bonded Turntrans-94.414.5176-75-93.7000113.3L56 V62 L91 L92 L93L56-N95 HydrophobicContact CD1-CB 4.16Å; L56-N95 HydrophobicContact CD2-CB 4.3Å; V62-N95 WeakPolarHBondContact CG1-O 2.94Å; V62-N95 HydrophobicContact CG2-CB 4.32Å; L91-N95 WeakPolarHBondContact O-CB 3.31Å; L91-N95 PolarHBondContact O-N 3.47Å; L91-N95 VanDerWaalsContact O-N 3.11Å; L91-N95 PolarHBondContact O-ND2 2.97Å; L92-N95 CarbonylContact O-C 3.53Å; L92-N95 PolarHBondContact O-N 3.39Å; L93-N95 PolarHBondContact O-N 3.34Å
96G95Very high93.6Very high48 Ų4844.3 Ų44.350%0.49526%0.255SS..THydrogen-bonded Turntrans89.421.1172.600000115.3N63 L92 L93 S98N63-G96 PolarHBondContact ND2-O 2.89Å; N63-G96 VanDerWaalsContact ND2-O 3.13Å; L92-G96 PolarHBondContact O-N 3.33Å; L93-G96 PolarHBondContact O-N 3.34Å; L93-G96 VanDerWaalsContact O-N 3.14Å; G96-S98 PolarHBondContact O-N 3.4Å
97A95.5Very high93.2Very high5 Ų545.1 Ų45.14%0.04126%0.257CS..  trans-59136167.200000110.3V62 N63 L77 L92 P99V62-A97 HydrophobicContact CG2-CB 3.83Å; N63-A97 WeakPolarHBondContact OD1-CA 3.46Å; L77-A97 HydrophobicContact CB-CB 4.18Å; L77-A97 HydrophobicContact CD2-CB 4.27Å; L92-A97 VanDerWaalsContact C-CB 3.46Å; L92-A97 HydrophobicContact CB-CB 3.96Å; L92-A97 WeakPolarHBondContact O-CB 3.07Å; L92-A97 PolarHBondContact O-N 3.17Å; A97-P99 VanDerWaalsContact O-CD 3.27Å; A97-P99 WeakPolarHBondContact O-CD 3.15Å
98S93.8Very high92.9Very high50 Ų5042.3 Ų42.335%0.3524%0.239SC..  trans-69.3116176.3-179.80000110.6N63 L77 G96 D100 S101N63-S98 PolarHBondContact OD1-N 3.48Å; L77-S98 VanDerWaalsContact CD2-O 3.23Å; L77-S98 WeakPolarHBondContact CD2-O 3.42Å; G96-S98 PolarHBondContact O-N 3.4Å; S98-D100 PolarHBondContact O-N 2.89Å; S98-D100 PolarHBondContact OG-N 3Å; S98-S101 WeakPolarHBondContact O-CB 3.37Å; S98-S101 PolarHBondContact O-N 3.26Å; S98-S101 PolarHBondContact O-OG 2.87Å
99P93.7Very high92.6Very high26 Ų2642.1 Ų42.117%0.16924%0.238CC..THydrogen-bonded Turntrans-64.7-19.4177.929.9-37000112.5L93 A97 S101 A109 H128 A130L93-P99 HydrophobicContact CD2-CB 3.91Å; A97-P99 VanDerWaalsContact O-CD 3.27Å; A97-P99 WeakPolarHBondContact O-CD 3.15Å; P99-S101 VanDerWaalsContact C-N 3.32Å; P99-A109 WeakPolarHBondContact O-CB 3.49Å; P99-H128 WeakPolarHBondContact CG-O 3.39Å; P99-A130 HydrophobicContact CB-CB 3.92Å
100D91.4Very high92.3Very high65 Ų6542.2 Ų42.235%0.34824%0.238SC..THydrogen-bonded Turntrans-9413.5-179.1-63.8-26.1000113.2S98 T102 A130 N131S98-D100 PolarHBondContact O-N 2.89Å; S98-D100 PolarHBondContact OG-N 3Å; D100-T102 PolarHBondContact O-N 3.22Å; D100-A130 WeakPolarHBondContact OD1-CA 3.09Å; D100-N131 WeakPolarHBondContact OD1-CB 3.24Å; D100-N131 PolarHBondContact OD1-N 3.04Å
101S89.9Confident92Very high16 Ų1637.8 Ų37.811%0.11222%0.222CC..  trans-54138.7174.3-64.40000110.6L78 S98 P99 S108 A109L78-S101 WeakPolarHBondContact CD2-O 3.34Å; S98-S101 WeakPolarHBondContact O-CB 3.37Å; S98-S101 PolarHBondContact O-N 3.26Å; S98-S101 PolarHBondContact O-OG 2.87Å; P99-S101 VanDerWaalsContact C-N 3.32Å; S101-S108 WeakPolarHBondContact O-CA 3.4Å; S101-A109 PolarHBondContact O-N 2.91Å
102T89.6Confident91.7Very high73 Ų7336.9 Ų36.945%0.44822%0.217SC..BIsolated β-bridgetrans-124147.5175.257.90000111.3L78 D100 H107L78-T102 WeakPolarHBondContact CD1-O 3.5Å; D100-T102 PolarHBondContact O-N 3.22Å; T102-H107 VanDerWaalsContact CA-O 3.26Å; T102-H107 WeakPolarHBondContact CA-O 3.49Å
103D88.5Confident91.4Very high21 Ų2136.9 Ų36.911%0.11222%0.217CC..  trans-76.7-179.816875.45.7000111.7L74 L78 F105 G106 H107L74-D103 HydrophobicContact CD2-CB 4.4Å; L78-D103 HydrophobicContact CD1-CB 4.32Å; D103-F105 PolarHBondContact O-N 3.39Å; D103-F105 VanDerWaalsContact O-N 3.13Å; D103-F105 WeakPolarHBondContact OD1-CA 3.47Å; D103-F105 WeakPolarHBondContact OD1-CB 3.32Å; D103-F105 PolarHBondContact OD1-N 3.38Å; D103-G106 PolarHBondContact O-N 3.42Å; D103-G106 PolarHBondContact OD1-N 3.21Å; D103-H107 PolarHBondContact N-O 3.32Å; D103-H107 VanDerWaalsContact OD1-CB 3.27Å; D103-H107 WeakPolarHBondContact OD1-CB 3.48Å; D103-H107 IonicContact OD1-CG 3.53Å; D103-H107 PolarHBondContact OD1-N 3.08Å; D103-H107 IonicContact OD1-ND1 3.39Å; D103-H107 PolarHBondContact OD1-ND1 3.39Å; D103-H107 WeakPolarHBondContact OD2-CB 3.35Å; D103-H107 IonicContact OD2-CG 3.54Å; D103-H107 IonicContact OD2-ND1 2.87Å; D103-H107 PolarHBondContact OD2-ND1 2.9Å
104C86.2Confident91.1Very high64 Ų6436.4 Ų36.443%0.43222%0.215SC..THydrogen-bonded Turntrans-64.7-11.1178.859.10000115P73P73-C104 HydrophobicContact CG-CB 4.21Å
105F85.2Confident90.7Very high125 Ų12537.6 Ų37.655%0.54821%0.214SC..THydrogen-bonded Turntrans-100.13.6176-53.8-70000112.2L72 D103 H107L72-F105 HydrophobicContact CD1-CE2 3.69Å; L72-F105 HydrophobicContact CD1-CZ 3.92Å; D103-F105 PolarHBondContact O-N 3.39Å; D103-F105 VanDerWaalsContact O-N 3.13Å; D103-F105 WeakPolarHBondContact OD1-CA 3.47Å; D103-F105 WeakPolarHBondContact OD1-CB 3.32Å; D103-F105 PolarHBondContact OD1-N 3.38Å; F105-H107 VanDerWaalsContact C-N 3.33Å
106G85.9Confident90.3Very high24 Ų2436 Ų3625%0.24721%0.212CC..  trans78.915.4-176.500000113.5D103 S108D103-G106 PolarHBondContact O-N 3.42Å; D103-G106 PolarHBondContact OD1-N 3.21Å; G106-S108 PolarHBondContact O-N 3.01Å
107H88.4Confident90.1Very high44 Ų4438.1 Ų38.120%0.20421%0.205CC..  trans-76.4114.2175.1-62.2137.8000110.5T102 D103 F105 W111 I112 N141T102-H107 VanDerWaalsContact CA-O 3.26Å; T102-H107 WeakPolarHBondContact CA-O 3.49Å; D103-H107 PolarHBondContact N-O 3.32Å; D103-H107 VanDerWaalsContact OD1-CB 3.27Å; D103-H107 WeakPolarHBondContact OD1-CB 3.48Å; D103-H107 IonicContact OD1-CG 3.53Å; D103-H107 PolarHBondContact OD1-N 3.08Å; D103-H107 IonicContact OD1-ND1 3.39Å; D103-H107 PolarHBondContact OD1-ND1 3.39Å; D103-H107 WeakPolarHBondContact OD2-CB 3.35Å; D103-H107 IonicContact OD2-CG 3.54Å; D103-H107 IonicContact OD2-ND1 2.87Å; D103-H107 PolarHBondContact OD2-ND1 2.9Å; F105-H107 VanDerWaalsContact C-N 3.33Å; H107-W111 AromaticContact CD2-CD1 3.37Å; H107-W111 AromaticContact CD2-NE1 3.31Å; H107-W111 PolarHBondContact CD2-NE1 3.41Å; H107-W111 VanDerWaalsContact CD2-NE1 3.31Å; H107-W111 AromaticContact CG-CD1 3.57Å; H107-W111 AromaticContact CG-NE1 3.84Å; H107-W111 AromaticContact NE2-NE1 3.79Å; H107-I112 HydrophobicContact CB-CD1 4.41Å; H107-I112 HydrophobicContact CB-CG1 4.17Å; H107-N141 PolarHBondContact CD2-OD1 3.05Å; H107-N141 VanDerWaalsContact CD2-OD1 3.26Å; H107-N141 PolarHBondContact NE2-OD1 3.36Å
108S90.2Very high89.9Confident2 Ų238.8 Ų38.81%0.01421%0.209CC..BIsolated β-bridgetrans-69.2159.3174750000112.2S101 G106 L110 W111 I112 C135S101-S108 WeakPolarHBondContact O-CA 3.4Å; G106-S108 PolarHBondContact O-N 3.01Å; S108-L110 PolarHBondContact O-N 3.16Å; S108-L110 PolarHBondContact OG-N 2.89Å; S108-W111 PolarHBondContact O-N 3.21Å; S108-W111 VanDerWaalsContact O-N 3.11Å; S108-W111 PolarHBondContact OG-N 3.38Å; S108-W111 VanDerWaalsContact OG-N 3.11Å; S108-I112 WeakPolarHBondContact O-CG1 3.42Å; S108-I112 PolarHBondContact O-N 3.06Å; S108-C135 VanDerWaalsContact OG-CB 3.25Å; S108-C135 WeakPolarHBondContact OG-CB 3.35Å; S108-C135 PolarHBondContact OG-SG 3.05Å; S108-C135 VanDerWaalsContact OG-SG 3.42Å
109A92.4Very high89.7Confident0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-52.9-37.7170.400000112L77 L78 P99 S101 I112 A113 L125L77-A109 HydrophobicContact CD2-CB 4.32Å; L78-A109 HydrophobicContact CD2-CB 3.82Å; P99-A109 WeakPolarHBondContact O-CB 3.49Å; S101-A109 PolarHBondContact O-N 2.91Å; A109-I112 PolarHBondContact O-N 2.86Å; A109-A113 WeakPolarHBondContact O-CB 3.26Å; A109-A113 PolarHBondContact O-N 3.34Å; A109-L125 HydrophobicContact CB-CD1 4.03Å; A109-L125 HydrophobicContact CB-CD2 3.8Å; A109-L125 WeakPolarHBondContact O-CD1 3.5Å
110L91.7Very high89.7Confident1 Ų141.3 Ų41.31%0.00522%0.215CC..Hα-helixtrans-64.1-43.6177.9-162.2110.3000112.2S108 A113 T114 L122 L125 I126 A130 L132 P143 L160 Y165S108-L110 PolarHBondContact O-N 3.16Å; S108-L110 PolarHBondContact OG-N 2.89Å; L110-A113 PolarHBondContact O-N 3.14Å; L110-T114 WeakPolarHBondContact O-CB 3.42Å; L110-T114 PolarHBondContact O-N 3.07Å; L110-T114 PolarHBondContact O-OG1 3.01Å; L110-L122 HydrophobicContact CD1-CD1 3.96Å; L110-L122 HydrophobicContact CG-CD1 3.76Å; L110-L125 HydrophobicContact CD1-CB 4.43Å; L110-I126 HydrophobicContact CD1-CD1 4.46Å; L110-I126 HydrophobicContact CD1-CG1 3.87Å; L110-A130 HydrophobicContact CD1-CB 3.96Å; L110-L132 HydrophobicContact CD1-CD2 3.81Å; L110-L132 HydrophobicContact CD2-CD2 4.19Å; L110-P143 HydrophobicContact CD2-CB 4.21Å; L110-P143 HydrophobicContact CD2-CG 3.78Å; L110-L160 HydrophobicContact CD2-CD2 3.84Å; L110-Y165 HydrophobicContact CD2-CD2 4.11Å; L110-Y165 HydrophobicContact CD2-CE2 4.04Å
111W90Very high89.8Confident13 Ų1338.2 Ų38.25%0.04920%0.198CC..Hα-helixtrans-62.4-46.7173.7171.5-112.2000111.7H107 S108 A113 T114 R115 C135 K140 C142 P143 Y146H107-W111 AromaticContact CD2-CD1 3.37Å; H107-W111 AromaticContact CD2-NE1 3.31Å; H107-W111 PolarHBondContact CD2-NE1 3.41Å; H107-W111 VanDerWaalsContact CD2-NE1 3.31Å; H107-W111 AromaticContact CG-CD1 3.57Å; H107-W111 AromaticContact CG-NE1 3.84Å; H107-W111 AromaticContact NE2-NE1 3.79Å; S108-W111 PolarHBondContact O-N 3.21Å; S108-W111 VanDerWaalsContact O-N 3.11Å; S108-W111 PolarHBondContact OG-N 3.38Å; S108-W111 VanDerWaalsContact OG-N 3.11Å; W111-A113 VanDerWaalsContact C-N 3.34Å; W111-A113 PolarHBondContact O-N 3.18Å; W111-T114 WeakPolarHBondContact O-CB 3.48Å; W111-T114 PolarHBondContact O-N 3.03Å; W111-R115 WeakPolarHBondContact O-CB 3.49Å; W111-R115 PolarHBondContact O-N 3Å; W111-C135 HydrophobicContact CB-CB 3.89Å; W111-K140 WeakPolarHBondContact CH2-O 2.78Å; W111-K140 WeakPolarHBondContact CZ2-O 3.19Å; W111-C142 VanDerWaalsContact CZ3-C 3.4Å; W111-C142 WeakPolarHBondContact CZ3-O 3.44Å; W111-P143 HydrophobicContact CB-CG 4.5Å; W111-P143 HydrophobicContact CE3-CB 4.44Å; W111-P143 HydrophobicContact CE3-CG 4.04Å; W111-Y146 AromaticContact CH2-CD2 3.59Å; W111-Y146 HydrophobicContact CH2-CD2 3.59Å; W111-Y146 AromaticContact CH2-CG 3.83Å; W111-Y146 HydrophobicContact CH2-CG 3.83Å; W111-Y146 HydrophobicContact CZ2-CD2 4.27Å; W111-Y146 VanDerWaalsContact CZ3-CB 3.41Å; W111-Y146 HydrophobicContact CZ3-CD2 4.22Å; W111-Y146 AromaticContact CZ3-CG 3.97Å; W111-Y146 HydrophobicContact CZ3-CG 3.97Å
112I90.8Very high89.9Confident4 Ų437.5 Ų37.52%0.02119%0.193CC..Hα-helixtrans-60.6-44.6179.3-65.6174.7000110.8L78 C81 R82 H107 S108 A109 T114 R115 A116L78-I112 HydrophobicContact CB-CD1 4.3Å; L78-I112 HydrophobicContact CD2-CD1 3.71Å; C81-I112 HydrophobicContact CB-CB 4.34Å; C81-I112 HydrophobicContact CB-CG2 3.79Å; R82-I112 HydrophobicContact CB-CG2 4.21Å; R82-I112 HydrophobicContact CG-CD1 4.19Å; R82-I112 HydrophobicContact CG-CG2 3.58Å; H107-I112 HydrophobicContact CB-CD1 4.41Å; H107-I112 HydrophobicContact CB-CG1 4.17Å; S108-I112 WeakPolarHBondContact O-CG1 3.42Å; S108-I112 PolarHBondContact O-N 3.06Å; A109-I112 PolarHBondContact O-N 2.86Å; I112-T114 VanDerWaalsContact C-N 3.32Å; I112-T114 PolarHBondContact O-N 3.17Å; I112-R115 PolarHBondContact O-N 3.05Å; I112-A116 WeakPolarHBondContact O-CB 3.47Å; I112-A116 PolarHBondContact O-N 3.2Å
113A91.5Very high90.1Very high0 Ų040.7 Ų40.70%020%0.197CC..Hα-helixtrans-61.7-40.3176.800000112.3A109 L110 W111 A116 R117 C118 L121 L122 L125A109-A113 WeakPolarHBondContact O-CB 3.26Å; A109-A113 PolarHBondContact O-N 3.34Å; L110-A113 PolarHBondContact O-N 3.14Å; W111-A113 VanDerWaalsContact C-N 3.34Å; W111-A113 PolarHBondContact O-N 3.18Å; A113-A116 PolarHBondContact O-N 3.13Å; A113-R117 PolarHBondContact O-N 2.98Å; A113-R117 VanDerWaalsContact O-N 3.13Å; A113-C118 PolarHBondContact O-N 3.43Å; A113-L121 HydrophobicContact CB-CB 4.21Å; A113-L121 HydrophobicContact CB-CD2 3.55Å; A113-L121 HydrophobicContact CB-CG 3.69Å; A113-L122 HydrophobicContact CB-CD1 4.49Å; A113-L125 HydrophobicContact CB-CD1 3.64Å
114T90Very high90.4Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-64.7-43.1175.7-56.30000111.2L110 W111 I112 R117 P143 Y146 A147L110-T114 WeakPolarHBondContact O-CB 3.42Å; L110-T114 PolarHBondContact O-N 3.07Å; L110-T114 PolarHBondContact O-OG1 3.01Å; W111-T114 WeakPolarHBondContact O-CB 3.48Å; W111-T114 PolarHBondContact O-N 3.03Å; I112-T114 VanDerWaalsContact C-N 3.32Å; I112-T114 PolarHBondContact O-N 3.17Å; T114-R117 WeakPolarHBondContact O-CA 3.41Å; T114-R117 PolarHBondContact O-N 3.36Å; T114-P143 HydrophobicContact CG2-CB 4.12Å; T114-P143 WeakPolarHBondContact CG2-O 3.22Å; T114-Y146 HydrophobicContact CG2-CD1 4.24Å; T114-A147 HydrophobicContact CG2-CB 4.15Å
115R89.1Confident90.8Very high133 Ų13336.8 Ų36.850%0.50217%0.172SC..Hα-helixtrans-66.8-36.7176.6-165.7-179.470.4126.60.2112.6W111 I112 R117 Y146W111-R115 WeakPolarHBondContact O-CB 3.49Å; W111-R115 PolarHBondContact O-N 3Å; I112-R115 PolarHBondContact O-N 3.05Å; R115-R117 PolarHBondContact O-N 2.92Å; R115-Y146 HydrophobicContact CB-CE1 4.48Å; R115-Y146 HydrophobicContact CG-CE1 4.37Å; R115-Y146 HydrophobicContact CG-CE2 4.34Å
116A88.2Confident91.1Very high42 Ų4231.6 Ų31.635%0.34715%0.149SC..THydrogen-bonded Turntrans-68.5-10.1170.900000112.7I112 A113 C118I112-A116 WeakPolarHBondContact O-CB 3.47Å; I112-A116 PolarHBondContact O-N 3.2Å; A113-A116 PolarHBondContact O-N 3.13Å; A116-C118 VanDerWaalsContact C-N 3.28Å; A116-C118 PolarHBondContact O-N 3.26Å
117R90.2Very high91.4Very high93 Ų9335.6 Ų35.635%0.35117%0.165SC..THydrogen-bonded Turntrans57.536.3-179.1-53.5179.3177.3169.2-2.3112.7A113 T114 R115 P119 H150 A151 R154 L156A113-R117 PolarHBondContact O-N 2.98Å; A113-R117 VanDerWaalsContact O-N 3.13Å; T114-R117 WeakPolarHBondContact O-CA 3.41Å; T114-R117 PolarHBondContact O-N 3.36Å; R115-R117 PolarHBondContact O-N 2.92Å; R117-P119 WeakPolarHBondContact O-CD 3.43Å; R117-H150 VanDerWaalsContact CZ-O 3.29Å; R117-H150 PolarHBondContact NH2-O 2.62Å; R117-H150 VanDerWaalsContact NH2-O 3.1Å; R117-A151 HydrophobicContact CG-CB 4Å; R117-R154 VanDerWaalsContact O-CD 3.29Å; R117-R154 WeakPolarHBondContact O-CD 3.33Å; R117-R154 PolarHBondContact O-NH1 3.33Å; R117-L156 HydrophobicContact CB-CD1 4.19Å
118C90.3Very high91.7Very high19 Ų1936.4 Ų36.413%0.12817%0.169CC..  trans-105.4101.6-177.3-177.30000110.7A113 A116 E120 L121 L122A113-C118 PolarHBondContact O-N 3.43Å; A116-C118 VanDerWaalsContact C-N 3.28Å; A116-C118 PolarHBondContact O-N 3.26Å; C118-E120 VanDerWaalsContact C-N 3.27Å; C118-E120 PolarHBondContact O-N 3.04Å; C118-E120 PolarHBondContact SG-OE2 3.35Å; C118-E120 VanDerWaalsContact SG-OE2 3.38Å; C118-L121 HydrophobicContact CB-CB 3.87Å; C118-L121 PolarHBondContact O-N 3.26Å; C118-L121 VanDerWaalsContact SG-CB 3.57Å; C118-L121 PolarHBondContact SG-N 3.09Å; C118-L122 PolarHBondContact O-N 3.27Å
119P90.5Very high91.7Very high22 Ų2246.9 Ų46.914%0.14321%0.208CC..Hα-helixtrans-62-35180-20.432000112.7R117 L122 R123 R154 L156R117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-L122 PolarHBondContact O-N 3.09Å; P119-R123 WeakPolarHBondContact O-CG 3.3Å; P119-R123 PolarHBondContact O-N 2.93Å; P119-R154 WeakPolarHBondContact CG-O 2.98Å; P119-L156 HydrophobicContact CB-CD2 3.93Å; P119-L156 HydrophobicContact CG-CD2 3.75Å
120E93.7Very high91.5Very high107 Ų10747.2 Ų47.250%0.521%0.211SC..Hα-helixtrans-65.2-42.9179.9-60.474.3-160.200111.2V86 C118 L122 L124V86-E120 HydrophobicContact CG1-CB 4.2Å; V86-E120 HydrophobicContact CG2-CB 4.19Å; C118-E120 VanDerWaalsContact C-N 3.27Å; C118-E120 PolarHBondContact O-N 3.04Å; C118-E120 PolarHBondContact SG-OE2 3.35Å; C118-E120 VanDerWaalsContact SG-OE2 3.38Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L124 VanDerWaalsContact O-CB 3.31Å; E120-L124 WeakPolarHBondContact O-CB 3.38Å; E120-L124 PolarHBondContact O-N 3.46Å
121L93.8Very high91.2Very high0 Ų050.5 Ų50.50%023%0.228CC..Hα-helixtrans-66.9-38.7175.3-174.663.7000111.5C81 V86 A89 A113 C118 L124 L125C81-L121 HydrophobicContact CB-CD2 3.87Å; V86-L121 HydrophobicContact CG2-CB 4.19Å; A89-L121 HydrophobicContact CB-CD1 3.53Å; A113-L121 HydrophobicContact CB-CB 4.21Å; A113-L121 HydrophobicContact CB-CD2 3.55Å; A113-L121 HydrophobicContact CB-CG 3.69Å; C118-L121 HydrophobicContact CB-CB 3.87Å; C118-L121 PolarHBondContact O-N 3.26Å; C118-L121 VanDerWaalsContact SG-CB 3.57Å; C118-L121 PolarHBondContact SG-N 3.09Å; L121-L124 HydrophobicContact CD1-CD2 4.35Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-L125 HydrophobicContact CG-CD1 4.42Å; L121-L125 WeakPolarHBondContact O-CG 3.48Å; L121-L125 PolarHBondContact O-N 3.32Å
122L92.3Very high90.8Very high0 Ų051.1 Ų51.10%023%0.232CC..Hα-helixtrans-64.3-46.2177-170.567.5000111.4L110 A113 C118 P119 E120 L124 L125 I126 L156 L159 L160L110-L122 HydrophobicContact CD1-CD1 3.96Å; L110-L122 HydrophobicContact CG-CD1 3.76Å; A113-L122 HydrophobicContact CB-CD1 4.49Å; C118-L122 PolarHBondContact O-N 3.27Å; P119-L122 PolarHBondContact O-N 3.09Å; E120-L122 VanDerWaalsContact C-N 3.34Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.12Å; L122-L125 PolarHBondContact O-N 3.16Å; L122-I126 HydrophobicContact CD1-CD1 4.44Å; L122-I126 HydrophobicContact CG-CD1 4.01Å; L122-I126 VanDerWaalsContact O-CG1 3.25Å; L122-I126 WeakPolarHBondContact O-CG1 3.29Å; L122-I126 PolarHBondContact O-N 3.26Å; L122-L156 HydrophobicContact CB-CD2 4.44Å; L122-L156 HydrophobicContact CD2-CB 4.31Å; L122-L156 HydrophobicContact CD2-CD2 3.79Å; L122-L159 HydrophobicContact CD2-CB 4.42Å; L122-L159 HydrophobicContact CD2-CD2 4.07Å; L122-L159 HydrophobicContact CG-CD2 4.17Å; L122-L160 HydrophobicContact CD1-CD2 4.08Å; L122-L160 HydrophobicContact CD2-CD2 4.09Å; L122-L160 HydrophobicContact CD2-CG 4Å; L122-L160 HydrophobicContact CG-CD2 4.48Å
123R92.6Very high90.2Very high141 Ų14155.2 Ų55.253%0.53226%0.258SS..Hα-helixtrans-55.9-49.7172.7-75.5-177.2179.7159.35111P119 L125 I126 D127 L159P119-R123 WeakPolarHBondContact O-CG 3.3Å; P119-R123 PolarHBondContact O-N 2.93Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 3.29Å; R123-I126 CarbonylContact O-C 3.11Å; R123-I126 PolarHBondContact O-N 3.05Å; R123-I126 VanDerWaalsContact O-N 3.09Å; R123-D127 WeakPolarHBondContact O-CB 3.25Å; R123-D127 PolarHBondContact O-N 3.18Å; R123-L159 HydrophobicContact CG-CD1 3.45Å; R123-L159 VanDerWaalsContact CG-CD1 3.45Å; R123-L159 HydrophobicContact CG-CD2 4.08Å; R123-L159 HydrophobicContact CG-CG 4.25Å
124L95.1Very high89.1Confident2 Ų256.7 Ų56.71%0.0127%0.27CS..Hα-helixtrans-56.5-46.2-179-179.271.3000111.9V86 A89 R90 L93 E120 L121 L122 I126 D127 H128V86-L124 HydrophobicContact CG1-CD2 4.41Å; A89-L124 HydrophobicContact CB-CD2 3.89Å; R90-L124 HydrophobicContact CB-CD1 3.97Å; R90-L124 HydrophobicContact CB-CD2 3.87Å; R90-L124 HydrophobicContact CG-CD1 4.05Å; L93-L124 HydrophobicContact CD1-CD1 4.4Å; L93-L124 HydrophobicContact CD1-CD2 3.87Å; L93-L124 HydrophobicContact CD1-CG 3.65Å; E120-L124 VanDerWaalsContact O-CB 3.31Å; E120-L124 WeakPolarHBondContact O-CB 3.38Å; E120-L124 PolarHBondContact O-N 3.46Å; L121-L124 HydrophobicContact CD1-CD2 4.35Å; L121-L124 PolarHBondContact O-N 3.36Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.12Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 3.22Å; L124-D127 PolarHBondContact O-N 3.5Å; L124-H128 PolarHBondContact O-CD2 3.29Å; L124-H128 VanDerWaalsContact O-CD2 3.23Å; L124-H128 PolarHBondContact O-N 3.37Å; L124-H128 VanDerWaalsContact O-N 3.13Å
125L94.6Very high88Confident0 Ų056.7 Ų56.70%027%0.27CS..Hα-helixtrans-62.9-42.2177.3-72.2167000111.8L77 L93 A109 L110 A113 L121 L122 R123 H128 R129 A130L77-L125 HydrophobicContact CD2-CD2 4.18Å; L93-L125 HydrophobicContact CD1-CD2 4.14Å; L93-L125 HydrophobicContact CD2-CD2 4.46Å; A109-L125 HydrophobicContact CB-CD1 4.03Å; A109-L125 HydrophobicContact CB-CD2 3.8Å; A109-L125 WeakPolarHBondContact O-CD1 3.5Å; L110-L125 HydrophobicContact CD1-CB 4.43Å; A113-L125 HydrophobicContact CB-CD1 3.64Å; L121-L125 HydrophobicContact CG-CD1 4.42Å; L121-L125 WeakPolarHBondContact O-CG 3.48Å; L121-L125 PolarHBondContact O-N 3.32Å; L122-L125 PolarHBondContact O-N 3.16Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 3.29Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 PolarHBondContact O-N 3.47Å; L125-R129 PolarHBondContact O-N 3.04Å; L125-A130 HydrophobicContact CB-CB 3.98Å; L125-A130 WeakPolarHBondContact O-CB 3.38Å; L125-A130 PolarHBondContact O-N 3.47Å
126I91Very high86.6Confident16 Ų1651.4 Ų51.48%0.08225%0.253CS..Hα-helixtrans-67.1-41.8179.4-67.8171.2000111.7L110 L122 R123 L124 H128 R129 L132 L159 H163L110-I126 HydrophobicContact CD1-CD1 4.46Å; L110-I126 HydrophobicContact CD1-CG1 3.87Å; L122-I126 HydrophobicContact CD1-CD1 4.44Å; L122-I126 HydrophobicContact CG-CD1 4.01Å; L122-I126 VanDerWaalsContact O-CG1 3.25Å; L122-I126 WeakPolarHBondContact O-CG1 3.29Å; L122-I126 PolarHBondContact O-N 3.26Å; R123-I126 CarbonylContact O-C 3.11Å; R123-I126 PolarHBondContact O-N 3.05Å; R123-I126 VanDerWaalsContact O-N 3.09Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 3.22Å; I126-H128 PolarHBondContact O-N 2.85Å; I126-R129 WeakPolarHBondContact O-CA 3.17Å; I126-R129 PolarHBondContact O-N 3.27Å; I126-L132 HydrophobicContact CD1-CD2 4.16Å; I126-L132 HydrophobicContact CG1-CD2 3.9Å; I126-L159 HydrophobicContact CD1-CD2 3.37Å; I126-H163 HydrophobicContact CD1-CB 4.37Å; I126-H163 HydrophobicContact CG2-CB 3.72Å; I126-H163 VanDerWaalsContact CG2-CG 3.41Å; I126-H163 WeakPolarHBondContact CG2-ND1 3.26Å
127D92.7Very high85.5Confident109 Ų10954.4 Ų54.458%0.58327%0.268SS*.Hα-helixtrans-60.9-33.6176.4-68.6-21.7000111R123 L124 R129R123-D127 WeakPolarHBondContact O-CB 3.25Å; R123-D127 PolarHBondContact O-N 3.18Å; L124-D127 PolarHBondContact O-N 3.5Å; D127-R129 PolarHBondContact O-N 3.23Å
128H94.5Very high84.8Confident60 Ų6053.1 Ų53.128%0.27827%0.268SS..THydrogen-bonded Turntrans-86.419.3172.6-75.7-96.8000113.8L93 P99 L124 L125 I126 A130L93-H128 HydrophobicContact CB-CB 4.47Å; L93-H128 HydrophobicContact CD1-CB 4.27Å; L93-H128 HydrophobicContact CD2-CB 4.1Å; P99-H128 WeakPolarHBondContact CG-O 3.39Å; L124-H128 PolarHBondContact O-CD2 3.29Å; L124-H128 VanDerWaalsContact O-CD2 3.23Å; L124-H128 PolarHBondContact O-N 3.37Å; L124-H128 VanDerWaalsContact O-N 3.13Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 PolarHBondContact O-N 3.47Å; I126-H128 PolarHBondContact O-N 2.85Å; H128-A130 PolarHBondContact O-N 3.38Å
129R90.1Very high83.8Confident223 Ų22354.8 Ų54.884%0.84227%0.272SS*.THydrogen-bonded Turntrans61.634.2174.2-51.2-177.2179.7-170.2-0.1114.7L125 I126 D127 N131L125-R129 PolarHBondContact O-N 3.04Å; I126-R129 WeakPolarHBondContact O-CA 3.17Å; I126-R129 PolarHBondContact O-N 3.27Å; D127-R129 PolarHBondContact O-N 3.23Å; R129-N131 PolarHBondContact O-N 3.34Å
130A89.3Confident83.2Confident7 Ų758.8 Ų58.86%0.05829%0.286CS..  trans-52.4130.2168.200000110.3P99 D100 L110 L125 H128 L132P99-A130 HydrophobicContact CB-CB 3.92Å; D100-A130 WeakPolarHBondContact OD1-CA 3.09Å; L110-A130 HydrophobicContact CD1-CB 3.96Å; L125-A130 HydrophobicContact CB-CB 3.98Å; L125-A130 WeakPolarHBondContact O-CB 3.38Å; L125-A130 PolarHBondContact O-N 3.47Å; H128-A130 PolarHBondContact O-N 3.38Å; A130-L132 PolarHBondContact O-N 3.05Å
131N85.7Confident82.5Confident69 Ų6954.3 Ų54.337%0.36927%0.266SS..  trans-64.6108.7174.317910.6000109.4D100 R129 T133 A134D100-N131 WeakPolarHBondContact OD1-CB 3.24Å; D100-N131 PolarHBondContact OD1-N 3.04Å; R129-N131 PolarHBondContact O-N 3.34Å; N131-T133 PolarHBondContact ND2-OG1 3.14Å; N131-T133 PolarHBondContact O-N 2.9Å; N131-T133 VanDerWaalsContact O-N 3.16Å; N131-T133 PolarHBondContact OD1-N 3.27Å; N131-T133 PolarHBondContact OD1-OG1 2.94Å; N131-A134 HydrophobicContact CB-CB 3.98Å; N131-A134 WeakPolarHBondContact O-CB 2.77Å; N131-A134 PolarHBondContact O-N 3.33Å; N131-A134 VanDerWaalsContact O-N 3.14Å
132L81.2Confident82Confident26 Ų2654.3 Ų54.314%0.13627%0.266CS..THydrogen-bonded Turntrans-58.2-27.9177.8-64178.9000111.8L110 I126 A130 H163 Y165L110-L132 HydrophobicContact CD1-CD2 3.81Å; L110-L132 HydrophobicContact CD2-CD2 4.19Å; I126-L132 HydrophobicContact CD1-CD2 4.16Å; I126-L132 HydrophobicContact CG1-CD2 3.9Å; A130-L132 PolarHBondContact O-N 3.05Å; L132-H163 HydrophobicContact CD1-CB 4.28Å; L132-H163 WeakPolarHBondContact CD1-O 3.35Å; L132-Y165 HydrophobicContact CB-CD2 3.68Å; L132-Y165 HydrophobicContact CB-CG 4.31Å; L132-Y165 HydrophobicContact CD2-CD2 4.18Å; L132-Y165 HydrophobicContact CG-CD2 4.44Å; L132-Y165 WeakPolarHBondContact O-CD2 3.27Å; L132-Y165 WeakPolarHBondContact O-CE2 3.48Å
133T77.1Confident81.7Confident91 Ų9154.3 Ų54.356%0.55827%0.266SS*.THydrogen-bonded Turntrans-89.7-7.3-178.8660000114.4N131 C135 S136N131-T133 PolarHBondContact ND2-OG1 3.14Å; N131-T133 PolarHBondContact O-N 2.9Å; N131-T133 VanDerWaalsContact O-N 3.16Å; N131-T133 PolarHBondContact OD1-N 3.27Å; N131-T133 PolarHBondContact OD1-OG1 2.94Å; T133-C135 VanDerWaalsContact C-N 3.26Å; T133-C135 PolarHBondContact O-N 2.91Å; T133-S136 PolarHBondContact O-N 3.37Å
134A69.3Low81.5Confident31 Ų3147.7 Ų47.726%0.25624%0.241SC..THydrogen-bonded Turntrans-62.8-21-166.800000116N131N131-A134 HydrophobicContact CB-CB 3.98Å; N131-A134 WeakPolarHBondContact O-CB 2.77Å; N131-A134 PolarHBondContact O-N 3.33Å; N131-A134 VanDerWaalsContact O-N 3.14Å
135C66.6Low81Confident0 Ų047.8 Ų47.80%024%0.242CC..THydrogen-bonded Turntrans-98.20.8-178.239.10000114.6S108 W111 T133 T137 N141 P143S108-C135 VanDerWaalsContact OG-CB 3.25Å; S108-C135 WeakPolarHBondContact OG-CB 3.35Å; S108-C135 PolarHBondContact OG-SG 3.05Å; S108-C135 VanDerWaalsContact OG-SG 3.42Å; W111-C135 HydrophobicContact CB-CB 3.89Å; T133-C135 VanDerWaalsContact C-N 3.26Å; T133-C135 PolarHBondContact O-N 2.91Å; C135-T137 VanDerWaalsContact C-N 3.28Å; C135-T137 PolarHBondContact O-N 3.3Å; C135-N141 WeakPolarHBondContact O-CB 3.16Å; C135-P143 WeakPolarHBondContact SG-CD 3.25Å; C135-P143 WeakPolarHBondContact SG-CG 3.37Å
136S60.3Low80.7Confident21 Ų2149.9 Ų49.915%0.14725%0.25CC..THydrogen-bonded Turntrans-88.242-163.2-152.70000115T133 N138 Y169T133-S136 PolarHBondContact O-N 3.37Å; S136-N138 VanDerWaalsContact C-N 3.29Å; S136-N138 PolarHBondContact O-N 3.41Å; S136-Y169 PolarHBondContact O-OH 2.68Å; S136-Y169 WeakPolarHBondContact OG-CD2 3.3Å; S136-Y169 WeakPolarHBondContact OG-CE2 3.45Å
137T65.2Low80.6Confident106 Ų10649.1 Ų49.165%0.6525%0.246SC*.THydrogen-bonded Turntrans-74.8-20.2179.554.60000113.2C135C135-T137 VanDerWaalsContact C-N 3.28Å; C135-T137 PolarHBondContact O-N 3.3Å
138N74.1Confident80.3Confident66 Ų6643.9 Ų43.935%0.35322%0.218SC..SBendtrans-159171.3169.160.139.2000110.6S136 K140 N141S136-N138 VanDerWaalsContact C-N 3.29Å; S136-N138 PolarHBondContact O-N 3.41Å; N138-K140 PolarHBondContact O-N 3.42Å; N138-K140 WeakPolarHBondContact OD1-CA 3.25Å; N138-K140 VanDerWaalsContact OD1-CB 3.3Å; N138-K140 WeakPolarHBondContact OD1-CB 3.4Å; N138-K140 PolarHBondContact OD1-N 3.11Å; N138-N141 PolarHBondContact O-N 3.48Å; N138-N141 VanDerWaalsContact O-N 3.14Å; N138-N141 PolarHBondContact OD1-N 2.9Å; N138-N141 VanDerWaalsContact OD1-N 3.16Å
139W70.8Confident79.9Confident54 Ų5445 Ų4521%0.20522%0.219CC..G310 helixtrans-59.4-29.8179.173.5-101.4000113.3N141 C142 Y145 E170 D171 E172W139-N141 PolarHBondContact O-N 3.42Å; W139-C142 WeakPolarHBondContact O-CB 3.27Å; W139-C142 PolarHBondContact O-N 3Å; W139-Y145 HydrophobicContact CE3-CD1 4.29Å; W139-Y145 AromaticContact CE3-CE1 3.76Å; W139-Y145 HydrophobicContact CE3-CE1 3.76Å; W139-Y145 HydrophobicContact CE3-CE2 4.37Å; W139-Y145 AromaticContact CE3-CZ 3.79Å; W139-Y145 AromaticContact CZ3-CE1 3.65Å; W139-Y145 HydrophobicContact CZ3-CE1 3.65Å; W139-Y145 AromaticContact CZ3-CZ 3.63Å; W139-Y145 WeakPolarHBondContact CZ3-OH 3.46Å; W139-E170 WeakPolarHBondContact CB-O 3.35Å; W139-D171 HydrophobicContact CD2-CB 3.69Å; W139-D171 HydrophobicContact CE3-CB 3.46Å; W139-D171 VanDerWaalsContact CE3-CB 3.46Å; W139-D171 HydrophobicContact CG-CB 4.35Å; W139-D171 HydrophobicContact CH2-CB 3.99Å; W139-D171 HydrophobicContact CZ2-CB 4.18Å; W139-D171 HydrophobicContact CZ3-CB 3.63Å; W139-E172 HydrophobicContact CZ2-CB 4.27Å; W139-E172 HydrophobicContact CZ2-CG 3.65Å
140K78Confident79.6Confident105 Ų10537.7 Ų37.746%0.45720%0.195SC..G310 helixtrans-65-22.3-179.2-60-177.31761790112.4W111 N138 E172W111-K140 WeakPolarHBondContact CH2-O 2.78Å; W111-K140 WeakPolarHBondContact CZ2-O 3.19Å; N138-K140 PolarHBondContact O-N 3.42Å; N138-K140 WeakPolarHBondContact OD1-CA 3.25Å; N138-K140 VanDerWaalsContact OD1-CB 3.3Å; N138-K140 WeakPolarHBondContact OD1-CB 3.4Å; N138-K140 PolarHBondContact OD1-N 3.11Å; K140-E172 VanDerWaalsContact CE-OE1 3.25Å; K140-E172 WeakPolarHBondContact CE-OE1 3.16Å; K140-E172 IonicContact NZ-OE1 3.21Å; K140-E172 PolarHBondContact NZ-OE1 3.11Å
141N77.6Confident79.2Confident14 Ų1437.7 Ų37.78%0.07520%0.195CC..G310 helixtrans-113.625179.9-65.5-20.6000112.7H107 C135 N138 W139 P143H107-N141 PolarHBondContact CD2-OD1 3.05Å; H107-N141 VanDerWaalsContact CD2-OD1 3.26Å; H107-N141 PolarHBondContact NE2-OD1 3.36Å; C135-N141 WeakPolarHBondContact O-CB 3.16Å; N138-N141 PolarHBondContact O-N 3.48Å; N138-N141 VanDerWaalsContact O-N 3.14Å; N138-N141 PolarHBondContact OD1-N 2.9Å; N138-N141 VanDerWaalsContact OD1-N 3.16Å; W139-N141 PolarHBondContact O-N 3.42Å; N141-P143 WeakPolarHBondContact O-CD 3.29Å
142C83.5Confident78.6Confident0 Ų036.2 Ų36.20%019%0.189CC..  trans-91.4104.5177175.20000111.5W111 W139 L144 Y145 Y146 S167W111-C142 VanDerWaalsContact CZ3-C 3.4Å; W111-C142 WeakPolarHBondContact CZ3-O 3.44Å; W139-C142 WeakPolarHBondContact O-CB 3.27Å; W139-C142 PolarHBondContact O-N 3Å; C142-L144 VanDerWaalsContact C-N 3.29Å; C142-L144 PolarHBondContact O-N 3.26Å; C142-Y145 WeakPolarHBondContact O-CB 3.43Å; C142-Y145 PolarHBondContact O-N 3.02Å; C142-Y145 PolarHBondContact SG-N 2.9Å; C142-Y146 PolarHBondContact O-N 3.33Å; C142-S167 VanDerWaalsContact SG-CB 3.52Å; C142-S167 PolarHBondContact SG-OG 3.49Å
143P87.1Confident78.2Confident0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-47.6-46176.3-29.824.1000114.6L110 W111 T114 C135 N141 Y145 Y146 A147 L160 Y165L110-P143 HydrophobicContact CD2-CB 4.21Å; L110-P143 HydrophobicContact CD2-CG 3.78Å; W111-P143 HydrophobicContact CB-CG 4.5Å; W111-P143 HydrophobicContact CE3-CB 4.44Å; W111-P143 HydrophobicContact CE3-CG 4.04Å; T114-P143 HydrophobicContact CG2-CB 4.12Å; T114-P143 WeakPolarHBondContact CG2-O 3.22Å; C135-P143 WeakPolarHBondContact SG-CD 3.25Å; C135-P143 WeakPolarHBondContact SG-CG 3.37Å; N141-P143 WeakPolarHBondContact O-CD 3.29Å; P143-Y145 PolarHBondContact O-N 3.39Å; P143-Y146 PolarHBondContact O-N 2.87Å; P143-A147 VanDerWaalsContact O-CB 3.27Å; P143-A147 WeakPolarHBondContact O-CB 3.45Å; P143-A147 PolarHBondContact O-N 3.31Å; P143-L160 HydrophobicContact CB-CD1 3.62Å; P143-L160 HydrophobicContact CB-CD2 4.26Å; P143-Y165 HydrophobicContact CB-CE2 4Å; P143-Y165 VanDerWaalsContact CD-OH 3.24Å; P143-Y165 WeakPolarHBondContact CD-OH 3.34Å; P143-Y165 HydrophobicContact CG-CE2 3.75Å
144L87.2Confident78.3Confident1 Ų148.8 Ų48.81%0.00522%0.224CC..Hα-helixtrans-65.3-42-176.1-179.559.5000111.8C142 S148 A157 L160 I161 Y165 A177C142-L144 VanDerWaalsContact C-N 3.29Å; C142-L144 PolarHBondContact O-N 3.26Å; L144-S148 WeakPolarHBondContact O-CB 3.45Å; L144-S148 PolarHBondContact O-N 2.8Å; L144-S148 PolarHBondContact O-OG 3.17Å; L144-A157 HydrophobicContact CD1-CB 3.89Å; L144-L160 HydrophobicContact CB-CD1 4.38Å; L144-L160 HydrophobicContact CD1-CB 4.41Å; L144-I161 HydrophobicContact CD1-CD1 3.86Å; L144-I161 HydrophobicContact CD1-CG1 3.68Å; L144-I161 HydrophobicContact CD2-CG1 4.18Å; L144-Y165 HydrophobicContact CB-CD1 3.59Å; L144-Y165 HydrophobicContact CB-CE1 3.42Å; L144-Y165 VanDerWaalsContact CB-CE1 3.42Å; L144-Y165 HydrophobicContact CD2-CD1 4.09Å; L144-Y165 HydrophobicContact CD2-CE1 4.4Å; L144-Y165 HydrophobicContact CG-CD1 4.38Å; L144-A177 HydrophobicContact CD2-CB 4.01Å; L144-A177 HydrophobicContact CG-CB 3.68Å
145Y86.1Confident78.9Confident5 Ų548.6 Ų48.62%0.0223%0.226CC..Hα-helixtrans-58.2-53.5172.5167.9-92.8000111W139 C142 P143 A147 S148 R149 D171 W180W139-Y145 HydrophobicContact CE3-CD1 4.29Å; W139-Y145 AromaticContact CE3-CE1 3.76Å; W139-Y145 HydrophobicContact CE3-CE1 3.76Å; W139-Y145 HydrophobicContact CE3-CE2 4.37Å; W139-Y145 AromaticContact CE3-CZ 3.79Å; W139-Y145 AromaticContact CZ3-CE1 3.65Å; W139-Y145 HydrophobicContact CZ3-CE1 3.65Å; W139-Y145 AromaticContact CZ3-CZ 3.63Å; W139-Y145 WeakPolarHBondContact CZ3-OH 3.46Å; C142-Y145 WeakPolarHBondContact O-CB 3.43Å; C142-Y145 PolarHBondContact O-N 3.02Å; C142-Y145 PolarHBondContact SG-N 2.9Å; P143-Y145 PolarHBondContact O-N 3.39Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 2.81Å; Y145-S148 PolarHBondContact O-N 3.07Å; Y145-S148 VanDerWaalsContact O-N 3.12Å; Y145-R149 WeakPolarHBondContact O-CB 3.2Å; Y145-R149 PolarHBondContact O-N 3Å; Y145-R149 VanDerWaalsContact OH-CD 3.26Å; Y145-R149 WeakPolarHBondContact OH-CD 3.08Å; Y145-R149 PolarHBondContact OH-NH1 2.97Å; Y145-D171 HydrophobicContact CE2-CB 3.7Å; Y145-D171 VanDerWaalsContact CE2-OD2 3.24Å; Y145-D171 WeakPolarHBondContact CE2-OD2 3.39Å; Y145-D171 WeakPolarHBondContact OH-CB 3.48Å; Y145-D171 PolarHBondContact OH-OD2 3.26Å; Y145-W180 AromaticContact CD2-CD1 3.78Å; Y145-W180 AromaticContact CE2-CD1 3.38Å; Y145-W180 HydrophobicContact CE2-CG 4.5Å; Y145-W180 AromaticContact CE2-NE1 3.18Å; Y145-W180 AromaticContact CZ-NE1 3.8Å
146Y87.4Confident80Confident43 Ų4348.6 Ų48.617%0.16923%0.226CC..Hα-helixtrans-62.3-41.1-176.4-172.4-82.2000111.9W111 T114 R115 C142 P143 H150W111-Y146 AromaticContact CH2-CD2 3.59Å; W111-Y146 HydrophobicContact CH2-CD2 3.59Å; W111-Y146 AromaticContact CH2-CG 3.83Å; W111-Y146 HydrophobicContact CH2-CG 3.83Å; W111-Y146 HydrophobicContact CZ2-CD2 4.27Å; W111-Y146 VanDerWaalsContact CZ3-CB 3.41Å; W111-Y146 HydrophobicContact CZ3-CD2 4.22Å; W111-Y146 AromaticContact CZ3-CG 3.97Å; W111-Y146 HydrophobicContact CZ3-CG 3.97Å; T114-Y146 HydrophobicContact CG2-CD1 4.24Å; R115-Y146 HydrophobicContact CB-CE1 4.48Å; R115-Y146 HydrophobicContact CG-CE1 4.37Å; R115-Y146 HydrophobicContact CG-CE2 4.34Å; C142-Y146 PolarHBondContact O-N 3.33Å; P143-Y146 PolarHBondContact O-N 2.87Å; Y146-H150 HydrophobicContact CD1-CB 4.26Å; Y146-H150 AromaticContact CD2-CD2 3.45Å; Y146-H150 VanDerWaalsContact CD2-CD2 3.45Å; Y146-H150 WeakPolarHBondContact CD2-CD2 3.32Å; Y146-H150 HydrophobicContact CE1-CB 3.95Å; Y146-H150 HydrophobicContact CE2-CB 4.37Å; Y146-H150 AromaticContact CE2-CD2 3.51Å; Y146-H150 AromaticContact CG-CD2 3.92Å; Y146-H150 WeakPolarHBondContact O-CB 3.42Å; Y146-H150 PolarHBondContact O-N 3.47Å
147A88.9Confident81.3Confident0 Ų047.7 Ų47.70%022%0.22CC..Hα-helixtrans-60.7-45.4175.200000111.5T114 P143 Y145 A151 L156 A157 L160T114-A147 HydrophobicContact CG2-CB 4.15Å; P143-A147 VanDerWaalsContact O-CB 3.27Å; P143-A147 WeakPolarHBondContact O-CB 3.45Å; P143-A147 PolarHBondContact O-N 3.31Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 2.81Å; A147-A151 CarbonylContact O-C 3.52Å; A147-A151 WeakPolarHBondContact O-CA 3.32Å; A147-A151 PolarHBondContact O-N 2.85Å; A147-A151 VanDerWaalsContact O-N 3.1Å; A147-L156 HydrophobicContact CB-CB 3.8Å; A147-A157 HydrophobicContact CB-CB 3.73Å; A147-L160 HydrophobicContact CB-CD1 4.29Å
148S86.9Confident82.3Confident0 Ų045 Ų450%020%0.199CC..Hα-helixtrans-67.4-38.1-178.7-55.40000113L144 Y145 N184 Q186L144-S148 WeakPolarHBondContact O-CB 3.45Å; L144-S148 PolarHBondContact O-N 2.8Å; L144-S148 PolarHBondContact O-OG 3.17Å; Y145-S148 PolarHBondContact O-N 3.07Å; Y145-S148 VanDerWaalsContact O-N 3.12Å; S148-N184 PolarHBondContact O-ND2 3.42Å; S148-Q186 PolarHBondContact O-NE2 3.06Å; S148-Q186 VanDerWaalsContact O-NE2 3.12Å
149R85.3Confident82.9Confident82 Ų8242.5 Ų42.531%0.30919%0.186SC..Hα-helixtrans-82.8-47-178.5-176174.7-175.8-179.97.5113Y145 W180Y145-R149 WeakPolarHBondContact O-CB 3.2Å; Y145-R149 PolarHBondContact O-N 3Å; Y145-R149 VanDerWaalsContact OH-CD 3.26Å; Y145-R149 WeakPolarHBondContact OH-CD 3.08Å; Y145-R149 PolarHBondContact OH-NH1 2.97Å; R149-W180 HydrophobicContact CB-CB 4.46Å; R149-W180 HydrophobicContact CB-CD2 3.96Å; R149-W180 HydrophobicContact CB-CE3 4.27Å; R149-W180 HydrophobicContact CB-CG 4.03Å; R149-W180 HydrophobicContact CG-CD2 3.76Å; R149-W180 HydrophobicContact CG-CE3 3.78Å; R149-W180 HydrophobicContact CG-CG 4.36Å; R149-W180 HydrophobicContact CG-CH2 4.22Å; R149-W180 HydrophobicContact CG-CZ2 4.19Å; R149-W180 HydrophobicContact CG-CZ3 4.01Å; R149-W180 VanDerWaalsContact CZ-CZ2 3.47Å; R149-W180 VanDerWaalsContact NE-CH2 3.34Å; R149-W180 VanDerWaalsContact NE-CZ2 3.29Å
150H84.8Confident83.8Confident71 Ų7139.9 Ų39.933%0.32918%0.176SC..Hα-helixtrans-111.3-16.8-165-61.6-65.6000114.9R117 Y146 P152R117-H150 VanDerWaalsContact CZ-O 3.29Å; R117-H150 PolarHBondContact NH2-O 2.62Å; R117-H150 VanDerWaalsContact NH2-O 3.1Å; Y146-H150 HydrophobicContact CD1-CB 4.26Å; Y146-H150 AromaticContact CD2-CD2 3.45Å; Y146-H150 VanDerWaalsContact CD2-CD2 3.45Å; Y146-H150 WeakPolarHBondContact CD2-CD2 3.32Å; Y146-H150 HydrophobicContact CE1-CB 3.95Å; Y146-H150 HydrophobicContact CE2-CB 4.37Å; Y146-H150 AromaticContact CE2-CD2 3.51Å; Y146-H150 AromaticContact CG-CD2 3.92Å; Y146-H150 WeakPolarHBondContact O-CB 3.42Å; Y146-H150 PolarHBondContact O-N 3.47Å; H150-P152 VanDerWaalsContact C-CD 3.41Å
151A80.1Confident84.1Confident6 Ų635.5 Ų35.55%0.0516%0.158CC..  trans-134.845.8-179.500000113.4R117 A147 R153 R154 L156R117-A151 HydrophobicContact CG-CB 4Å; A147-A151 CarbonylContact O-C 3.52Å; A147-A151 WeakPolarHBondContact O-CA 3.32Å; A147-A151 PolarHBondContact O-N 2.85Å; A147-A151 VanDerWaalsContact O-N 3.1Å; A151-R153 PolarHBondContact O-N 3.13Å; A151-R154 HydrophobicContact CB-CB 4.36Å; A151-R154 HydrophobicContact CB-CG 4.4Å; A151-R154 PolarHBondContact O-N 3.25Å; A151-R154 VanDerWaalsContact O-N 3.07Å; A151-L156 HydrophobicContact CB-CD1 3.85Å
152P73.2Confident84.5Confident39 Ų3943.4 Ų43.425%0.25319%0.188SC..THydrogen-bonded Turntrans-64.7-16.3-169.430.2-39.9000114.6H150 Q186H150-P152 VanDerWaalsContact C-CD 3.41Å; P152-Q186 HydrophobicContact CB-CG 4.18Å
153R73.9Confident84.5Confident245 Ų24547 Ų4793%0.92520%0.204SC*.THydrogen-bonded Turntrans-102.53.5-178.7-62.6-174.3-178.5177.80.7113.9A151A151-R153 PolarHBondContact O-N 3.13Å
154R78.8Confident84Confident135 Ų13549.4 Ų49.451%0.50923%0.229SC..THydrogen-bonded Turntrans-96.8-2.1-176.3-70.5-122.8-179.7162.4-4.7113.8R117 P119 A151 L156R117-R154 VanDerWaalsContact O-CD 3.29Å; R117-R154 WeakPolarHBondContact O-CD 3.33Å; R117-R154 PolarHBondContact O-NH1 3.33Å; P119-R154 WeakPolarHBondContact CG-O 2.98Å; A151-R154 HydrophobicContact CB-CB 4.36Å; A151-R154 HydrophobicContact CB-CG 4.4Å; A151-R154 PolarHBondContact O-N 3.25Å; A151-R154 VanDerWaalsContact O-N 3.07Å; R154-L156 HydrophobicContact CB-CD1 4Å; R154-L156 HydrophobicContact CB-CG 3.85Å; R154-L156 PolarHBondContact O-N 2.95Å
155G82.1Confident83.6Confident28 Ų2849.6 Ų49.629%0.28923%0.23SC..THydrogen-bonded Turntrans72.18.7-17900000114E158 L159G155-E158 WeakPolarHBondContact CA-OE2 3.26Å; G155-L159 VanDerWaalsContact O-CB 3.28Å; G155-L159 WeakPolarHBondContact O-CB 3.28Å; G155-L159 PolarHBondContact O-N 3.25Å; G155-L159 VanDerWaalsContact O-N 3.08Å
156L88.8Confident83.1Confident0 Ų053 Ų530%025%0.247CC..Hα-helixtrans-71.2-41.2-172.4-63.8171.5000111.6R117 P119 L122 A147 A151 R154 L159 L160R117-L156 HydrophobicContact CB-CD1 4.19Å; P119-L156 HydrophobicContact CB-CD2 3.93Å; P119-L156 HydrophobicContact CG-CD2 3.75Å; L122-L156 HydrophobicContact CB-CD2 4.44Å; L122-L156 HydrophobicContact CD2-CB 4.31Å; L122-L156 HydrophobicContact CD2-CD2 3.79Å; A147-L156 HydrophobicContact CB-CB 3.8Å; A151-L156 HydrophobicContact CB-CD1 3.85Å; R154-L156 HydrophobicContact CB-CD1 4Å; R154-L156 HydrophobicContact CB-CG 3.85Å; R154-L156 PolarHBondContact O-N 2.95Å; L156-L159 WeakPolarHBondContact O-CB 3.47Å; L156-L159 PolarHBondContact O-N 3.14Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 3.4Å
157A88.4Confident82.6Confident2 Ų251.4 Ų51.42%0.01724%0.242CC..Hα-helixtrans-68.7-42.3-178.500000110.3L144 A147 L159 L160 I161 L189L144-A157 HydrophobicContact CD1-CB 3.89Å; A147-A157 HydrophobicContact CB-CB 3.73Å; A157-L159 VanDerWaalsContact C-N 3.28Å; A157-L159 PolarHBondContact O-N 3.3Å; A157-L160 PolarHBondContact O-N 3.27Å; A157-I161 WeakPolarHBondContact O-CD1 3.43Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.29Å; A157-I161 PolarHBondContact O-N 3.42Å; A157-L189 HydrophobicContact CB-CD1 3.45Å; A157-L189 VanDerWaalsContact CB-CD1 3.45Å; A157-L189 HydrophobicContact CB-CD2 3.54Å; A157-L189 HydrophobicContact CB-CG 4.15Å
158E85.8Confident82Confident48 Ų4856.8 Ų56.822%0.22427%0.271CS..Hα-helixtrans-59.1-42.1174-61.491.7149.300111G155 I161 Y162 L189 M192G155-E158 WeakPolarHBondContact CA-OE2 3.26Å; E158-I161 PolarHBondContact O-N 3.37Å; E158-Y162 WeakPolarHBondContact O-CB 3.33Å; E158-Y162 PolarHBondContact O-N 2.98Å; E158-L189 HydrophobicContact CG-CD1 4.17Å; E158-M192 HydrophobicContact CB-CE 3.97Å; E158-M192 HydrophobicContact CB-SD 3.86Å; E158-M192 HydrophobicContact CG-SD 3.79Å; E158-M192 VanDerWaalsContact O-CE 3.26Å; E158-M192 WeakPolarHBondContact O-CE 3.47Å
159L87.2Confident81.8Confident14 Ų1461.4 Ų61.47%0.07329%0.289CS..Hα-helixtrans-64.8-47.6178.3-154.9151.4000111.8L122 R123 I126 G155 L156 A157 I161 Y162 H163L122-L159 HydrophobicContact CD2-CB 4.42Å; L122-L159 HydrophobicContact CD2-CD2 4.07Å; L122-L159 HydrophobicContact CG-CD2 4.17Å; R123-L159 HydrophobicContact CG-CD1 3.45Å; R123-L159 VanDerWaalsContact CG-CD1 3.45Å; R123-L159 HydrophobicContact CG-CD2 4.08Å; R123-L159 HydrophobicContact CG-CG 4.25Å; I126-L159 HydrophobicContact CD1-CD2 3.37Å; G155-L159 VanDerWaalsContact O-CB 3.28Å; G155-L159 WeakPolarHBondContact O-CB 3.28Å; G155-L159 PolarHBondContact O-N 3.25Å; G155-L159 VanDerWaalsContact O-N 3.08Å; L156-L159 WeakPolarHBondContact O-CB 3.47Å; L156-L159 PolarHBondContact O-N 3.14Å; A157-L159 VanDerWaalsContact C-N 3.28Å; A157-L159 PolarHBondContact O-N 3.3Å; L159-I161 PolarHBondContact O-N 2.92Å; L159-Y162 PolarHBondContact O-N 3.48Å; L159-H163 PolarHBondContact O-CD2 3.47Å; L159-H163 VanDerWaalsContact O-CD2 3.23Å; L159-H163 PolarHBondContact O-N 3.48Å
160L88.3Confident81.7Confident0 Ų062.7 Ų62.70%030%0.298CS..Hα-helixtrans-55.6-52.3175.5-73.4169.6000110.8L110 L122 P143 L144 A147 L156 A157 Y162 H163 G164 Y165L110-L160 HydrophobicContact CD2-CD2 3.84Å; L122-L160 HydrophobicContact CD1-CD2 4.08Å; L122-L160 HydrophobicContact CD2-CD2 4.09Å; L122-L160 HydrophobicContact CD2-CG 4Å; L122-L160 HydrophobicContact CG-CD2 4.48Å; P143-L160 HydrophobicContact CB-CD1 3.62Å; P143-L160 HydrophobicContact CB-CD2 4.26Å; L144-L160 HydrophobicContact CB-CD1 4.38Å; L144-L160 HydrophobicContact CD1-CB 4.41Å; A147-L160 HydrophobicContact CB-CD1 4.29Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 3.4Å; A157-L160 PolarHBondContact O-N 3.27Å; L160-Y162 PolarHBondContact O-N 2.89Å; L160-H163 PolarHBondContact O-N 3.38Å; L160-G164 PolarHBondContact O-N 2.86Å; L160-Y165 HydrophobicContact CB-CG 4.12Å; L160-Y165 HydrophobicContact CD2-CD2 3.88Å; L160-Y165 HydrophobicContact CD2-CG 4.17Å; L160-Y165 WeakPolarHBondContact O-CB 3.32Å; L160-Y165 PolarHBondContact O-N 3.33Å
161I85.9Confident81.8Confident13 Ų1359.8 Ų59.87%0.06729%0.285CS..Hα-helixtrans-64.5-42.1-178.3-63.5157.4000111.5L144 A157 E158 L159 H163 G164 L189 M192 I193 A196L144-I161 HydrophobicContact CD1-CD1 3.86Å; L144-I161 HydrophobicContact CD1-CG1 3.68Å; L144-I161 HydrophobicContact CD2-CG1 4.18Å; A157-I161 WeakPolarHBondContact O-CD1 3.43Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.29Å; A157-I161 PolarHBondContact O-N 3.42Å; E158-I161 PolarHBondContact O-N 3.37Å; L159-I161 PolarHBondContact O-N 2.92Å; I161-H163 PolarHBondContact O-N 2.65Å; I161-G164 PolarHBondContact O-N 3.08Å; I161-L189 HydrophobicContact CD1-CD1 3.29Å; I161-M192 HydrophobicContact CB-CE 4.37Å; I161-M192 HydrophobicContact CD1-CB 4.07Å; I161-M192 HydrophobicContact CG2-CB 4.02Å; I161-M192 HydrophobicContact CG2-CE 4.42Å; I161-I193 HydrophobicContact CD1-CB 4.35Å; I161-I193 HydrophobicContact CD1-CD1 4.22Å; I161-I193 HydrophobicContact CD1-CG1 3.27Å; I161-I193 HydrophobicContact CG1-CG1 4.24Å; I161-A196 HydrophobicContact CG2-CB 3.78Å
162Y84.1Confident82.1Confident180 Ų18066.3 Ų66.371%0.70632%0.315SS*.Hα-helixtrans-57.6-35.4179.6-179.2-95.9000111.9E158 L159 L160 G164E158-Y162 WeakPolarHBondContact O-CB 3.33Å; E158-Y162 PolarHBondContact O-N 2.98Å; L159-Y162 PolarHBondContact O-N 3.48Å; L160-Y162 PolarHBondContact O-N 2.89Å; Y162-G164 VanDerWaalsContact C-N 3.3Å; Y162-G164 PolarHBondContact O-N 3.35Å
163H83.4Confident82.6Confident75 Ų7570.1 Ų70.135%0.34733%0.333SS..THydrogen-bonded Turntrans-88.910.3176.8-71.3-81.7000114.1I126 L132 L159 L160 I161I126-H163 HydrophobicContact CD1-CB 4.37Å; I126-H163 HydrophobicContact CG2-CB 3.72Å; I126-H163 VanDerWaalsContact CG2-CG 3.41Å; I126-H163 WeakPolarHBondContact CG2-ND1 3.26Å; L132-H163 HydrophobicContact CD1-CB 4.28Å; L132-H163 WeakPolarHBondContact CD1-O 3.35Å; L159-H163 PolarHBondContact O-CD2 3.47Å; L159-H163 VanDerWaalsContact O-CD2 3.23Å; L159-H163 PolarHBondContact O-N 3.48Å; L160-H163 PolarHBondContact O-N 3.38Å; I161-H163 PolarHBondContact O-N 2.65Å
164G77.1Confident83.3Confident51 Ų5159.6 Ų59.653%0.52630%0.3SS..THydrogen-bonded Turntrans90.111.5173.600000114.9L160 I161 Y162 M166L160-G164 PolarHBondContact O-N 2.86Å; I161-G164 PolarHBondContact O-N 3.08Å; Y162-G164 VanDerWaalsContact C-N 3.3Å; Y162-G164 PolarHBondContact O-N 3.35Å; G164-M166 PolarHBondContact O-N 3.4Å
165Y80Confident83.7Confident5 Ų554 Ų542%0.0228%0.281CS..  trans-68.2122173.1-172.1-69.9000108.9L110 L132 P143 L144 L160L110-Y165 HydrophobicContact CD2-CD2 4.11Å; L110-Y165 HydrophobicContact CD2-CE2 4.04Å; L132-Y165 HydrophobicContact CB-CD2 3.68Å; L132-Y165 HydrophobicContact CB-CG 4.31Å; L132-Y165 HydrophobicContact CD2-CD2 4.18Å; L132-Y165 HydrophobicContact CG-CD2 4.44Å; L132-Y165 WeakPolarHBondContact O-CD2 3.27Å; L132-Y165 WeakPolarHBondContact O-CE2 3.48Å; P143-Y165 HydrophobicContact CB-CE2 4Å; P143-Y165 VanDerWaalsContact CD-OH 3.24Å; P143-Y165 WeakPolarHBondContact CD-OH 3.34Å; P143-Y165 HydrophobicContact CG-CE2 3.75Å; L144-Y165 HydrophobicContact CB-CD1 3.59Å; L144-Y165 HydrophobicContact CB-CE1 3.42Å; L144-Y165 VanDerWaalsContact CB-CE1 3.42Å; L144-Y165 HydrophobicContact CD2-CD1 4.09Å; L144-Y165 HydrophobicContact CD2-CE1 4.4Å; L144-Y165 HydrophobicContact CG-CD1 4.38Å; L160-Y165 HydrophobicContact CB-CG 4.12Å; L160-Y165 HydrophobicContact CD2-CD2 3.88Å; L160-Y165 HydrophobicContact CD2-CG 4.17Å; L160-Y165 WeakPolarHBondContact O-CB 3.32Å; L160-Y165 PolarHBondContact O-N 3.33Å
166M74.6Confident84Confident77 Ų7753 Ų5338%0.37927%0.268SS..  trans-129.9135.5176.1-61.7-139.47400110.6G164 A196 V198G164-M166 PolarHBondContact O-N 3.4Å; M166-A196 HydrophobicContact CE-CB 3.15Å; M166-A196 WeakPolarHBondContact CE-O 3.32Å; M166-A196 HydrophobicContact CG-CB 4.38Å; M166-A196 HydrophobicContact SD-CB 3.62Å; M166-V198 HydrophobicContact CE-CG2 3.53Å
167S77.7Confident84Confident8 Ų853 Ų536%0.05627%0.269CS..  trans-153.6133.7175.31640000109.2C142 Y169C142-S167 VanDerWaalsContact SG-CB 3.52Å; C142-S167 PolarHBondContact SG-OG 3.49Å; S167-Y169 VanDerWaalsContact OG-CD2 3.28Å; S167-Y169 WeakPolarHBondContact OG-CD2 3.38Å; S167-Y169 PolarHBondContact OG-N 3.37Å
168N76.8Confident84.1Confident113 Ų11353 Ų5360%0.60427%0.268SS*.  trans-112.622.5172.267.2-27.4000111.3E170N168-E170 PolarHBondContact O-N 3.24Å
169Y81.5Confident84.3Confident98 Ų9850.7 Ų50.738%0.38426%0.258SS..  trans-63.7125.1175.6-77.8-81.6000109.9S136 S167 D176S136-Y169 PolarHBondContact O-OH 2.68Å; S136-Y169 WeakPolarHBondContact OG-CD2 3.3Å; S136-Y169 WeakPolarHBondContact OG-CE2 3.45Å; S167-Y169 VanDerWaalsContact OG-CD2 3.28Å; S167-Y169 WeakPolarHBondContact OG-CD2 3.38Å; S167-Y169 PolarHBondContact OG-N 3.37Å; Y169-D176 WeakPolarHBondContact O-CA 3.46Å
170E84Confident84.3Confident109 Ų10951.5 Ų51.551%0.50926%0.26SS..  trans-89.9143.2172.7-66.6175.8-17900109.7W139 N168 D176W139-E170 WeakPolarHBondContact CB-O 3.35Å; N168-E170 PolarHBondContact O-N 3.24Å; E170-D176 HydrophobicContact CG-CB 4.17Å
171D85.8Confident84.3Confident10 Ų1051.5 Ų51.55%0.05326%0.26CS..  trans-79.5-174.1171.566.115.9000112.8W139 Y145 D173 G174 L175 W180W139-D171 HydrophobicContact CD2-CB 3.69Å; W139-D171 HydrophobicContact CE3-CB 3.46Å; W139-D171 VanDerWaalsContact CE3-CB 3.46Å; W139-D171 HydrophobicContact CG-CB 4.35Å; W139-D171 HydrophobicContact CH2-CB 3.99Å; W139-D171 HydrophobicContact CZ2-CB 4.18Å; W139-D171 HydrophobicContact CZ3-CB 3.63Å; Y145-D171 HydrophobicContact CE2-CB 3.7Å; Y145-D171 VanDerWaalsContact CE2-OD2 3.24Å; Y145-D171 WeakPolarHBondContact CE2-OD2 3.39Å; Y145-D171 WeakPolarHBondContact OH-CB 3.48Å; Y145-D171 PolarHBondContact OH-OD2 3.26Å; D171-D173 PolarHBondContact O-N 3.39Å; D171-D173 VanDerWaalsContact O-N 3.15Å; D171-D173 WeakPolarHBondContact OD1-CA 3Å; D171-D173 WeakPolarHBondContact OD1-CB 3.36Å; D171-D173 PolarHBondContact OD1-N 3.13Å; D171-G174 PolarHBondContact O-N 2.96Å; D171-G174 PolarHBondContact OD1-N 3.36Å; D171-L175 VanDerWaalsContact CG-O 3.25Å; D171-L175 PolarHBondContact N-O 3.39Å; D171-L175 WeakPolarHBondContact OD1-CB 3.47Å; D171-L175 PolarHBondContact OD1-N 3.49Å; D171-W180 PolarHBondContact OD2-NE1 3.18Å
172E86.1Confident84.4Confident143 Ų14351 Ų5167%0.66826%0.257SS*.THydrogen-bonded Turntrans-60.8-19.9179.3-74.2168.2-159.100113.2W139 K140W139-E172 HydrophobicContact CZ2-CB 4.27Å; W139-E172 HydrophobicContact CZ2-CG 3.65Å; K140-E172 VanDerWaalsContact CE-OE1 3.25Å; K140-E172 WeakPolarHBondContact CE-OE1 3.16Å; K140-E172 IonicContact NZ-OE1 3.21Å; K140-E172 PolarHBondContact NZ-OE1 3.11Å
173D85.3Confident84.5Confident119 Ų11946.5 Ų46.564%0.63624%0.243SC*.THydrogen-bonded Turntrans-93.32.8176.6-60.9-50.4000112.4D171 L175D171-D173 PolarHBondContact O-N 3.39Å; D171-D173 VanDerWaalsContact O-N 3.15Å; D171-D173 WeakPolarHBondContact OD1-CA 3Å; D171-D173 WeakPolarHBondContact OD1-CB 3.36Å; D171-D173 PolarHBondContact OD1-N 3.13Å; D173-L175 VanDerWaalsContact C-N 3.31Å; D173-L175 HydrophobicContact CB-CD1 4.09Å; D173-L175 HydrophobicContact CB-CG 4.03Å
174G87.5Confident84.5Confident23 Ų2346.5 Ų46.524%0.23725%0.245CC..SBendtrans74.420.7-174.600000113.2D171D171-G174 PolarHBondContact O-N 2.96Å; D171-G174 PolarHBondContact OD1-N 3.36Å
175L87.7Confident84.8Confident19 Ų1945.6 Ų45.610%0.09924%0.236CC..  trans-103.4124-178-56176000110.6D171 D173 W180 I207D171-L175 VanDerWaalsContact CG-O 3.25Å; D171-L175 PolarHBondContact N-O 3.39Å; D171-L175 WeakPolarHBondContact OD1-CB 3.47Å; D171-L175 PolarHBondContact OD1-N 3.49Å; D173-L175 VanDerWaalsContact C-N 3.31Å; D173-L175 HydrophobicContact CB-CD1 4.09Å; D173-L175 HydrophobicContact CB-CG 4.03Å; L175-W180 HydrophobicContact CD1-CH2 4.38Å; L175-W180 HydrophobicContact CD1-CZ2 3.82Å; L175-I207 HydrophobicContact CD2-CD1 3.62Å
176D89.1Confident84.9Confident5 Ų546.5 Ų46.53%0.02724%0.241CC..  trans-94.9-175.1173.172-7.6000112.1Y169 E170 L178 S179 W180 H204Y169-D176 WeakPolarHBondContact O-CA 3.46Å; E170-D176 HydrophobicContact CG-CB 4.17Å; D176-L178 VanDerWaalsContact C-N 3.29Å; D176-L178 PolarHBondContact O-N 2.95Å; D176-L178 PolarHBondContact OD1-N 2.8Å; D176-S179 WeakPolarHBondContact O-CB 3.28Å; D176-S179 PolarHBondContact O-N 3.13Å; D176-S179 VanDerWaalsContact OD1-CB 3.27Å; D176-S179 WeakPolarHBondContact OD1-CB 3.4Å; D176-S179 PolarHBondContact OD1-N 3.25Å; D176-S179 PolarHBondContact OD1-OG 3.4Å; D176-W180 PolarHBondContact O-N 2.85Å; D176-H204 VanDerWaalsContact CG-NE2 3.31Å; D176-H204 IonicContact OD1-CD2 2.84Å; D176-H204 IonicContact OD1-CE1 3.14Å; D176-H204 IonicContact OD1-NE2 3.16Å; D176-H204 PolarHBondContact OD1-NE2 3.07Å; D176-H204 IonicContact OD2-CE1 3.94Å; D176-H204 IonicContact OD2-NE2 2.97Å; D176-H204 PolarHBondContact OD2-NE2 2.97Å
177A89.1Confident85.2Confident2 Ų243.5 Ų43.52%0.01723%0.226CC..Hα-helixtrans-60-36.617800000113.3L144 S181 I193L144-A177 HydrophobicContact CD2-CB 4.01Å; L144-A177 HydrophobicContact CG-CB 3.68Å; A177-S181 WeakPolarHBondContact O-CB 2.96Å; A177-S181 PolarHBondContact O-N 3.32Å; A177-I193 HydrophobicContact CB-CD1 4.09Å
178L89.6Confident85.3Confident0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-65.5-46.5177.3177.856.1000109.9D176 W180 S181 L182 I193 V198 I200 H204D176-L178 VanDerWaalsContact C-N 3.29Å; D176-L178 PolarHBondContact O-N 2.95Å; D176-L178 PolarHBondContact OD1-N 2.8Å; L178-W180 PolarHBondContact O-N 3.46Å; L178-S181 PolarHBondContact O-N 2.97Å; L178-S181 VanDerWaalsContact O-N 3.14Å; L178-S181 PolarHBondContact O-OG 3.23Å; L178-L182 HydrophobicContact CD1-CD1 4.1Å; L178-L182 HydrophobicContact CD1-CD2 4.49Å; L178-L182 HydrophobicContact CD1-CG 4.07Å; L178-L182 HydrophobicContact CG-CD1 4Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 VanDerWaalsContact O-CG 3.28Å; L178-L182 WeakPolarHBondContact O-CG 2.96Å; L178-L182 PolarHBondContact O-N 2.85Å; L178-I193 HydrophobicContact CB-CG2 3.84Å; L178-I193 HydrophobicContact CD1-CB 4.32Å; L178-I193 HydrophobicContact CD1-CG2 4.32Å; L178-I193 HydrophobicContact CG-CG2 4.49Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; L178-I200 HydrophobicContact CD2-CG1 4.05Å; L178-H204 HydrophobicContact CD2-CB 4.5Å
179S89.2Confident85.6Confident1 Ų141 Ų411%0.00721%0.21CC..Hα-helixtrans-53.5-49.4175.8-61.60000112D176 L182 Q183 H204D176-S179 WeakPolarHBondContact O-CB 3.28Å; D176-S179 PolarHBondContact O-N 3.13Å; D176-S179 VanDerWaalsContact OD1-CB 3.27Å; D176-S179 WeakPolarHBondContact OD1-CB 3.4Å; D176-S179 PolarHBondContact OD1-N 3.25Å; D176-S179 PolarHBondContact OD1-OG 3.4Å; S179-L182 PolarHBondContact O-N 3.27Å; S179-Q183 WeakPolarHBondContact O-CG 3.3Å; S179-Q183 PolarHBondContact O-N 3.26Å; S179-H204 PolarHBondContact OG-CD2 3.45Å; S179-H204 PolarHBondContact OG-NE2 3.33Å; S179-H204 VanDerWaalsContact OG-NE2 3.17Å
180W88.6Confident85.9Confident31 Ų3136.3 Ų36.312%0.11719%0.192CC..Hα-helixtrans-65.6-39.4176.5-76.8105.3000113Y145 R149 D171 L175 D176 L178 L182 Q183 N184Y145-W180 AromaticContact CD2-CD1 3.78Å; Y145-W180 AromaticContact CE2-CD1 3.38Å; Y145-W180 HydrophobicContact CE2-CG 4.5Å; Y145-W180 AromaticContact CE2-NE1 3.18Å; Y145-W180 AromaticContact CZ-NE1 3.8Å; R149-W180 HydrophobicContact CB-CB 4.46Å; R149-W180 HydrophobicContact CB-CD2 3.96Å; R149-W180 HydrophobicContact CB-CE3 4.27Å; R149-W180 HydrophobicContact CB-CG 4.03Å; R149-W180 HydrophobicContact CG-CD2 3.76Å; R149-W180 HydrophobicContact CG-CE3 3.78Å; R149-W180 HydrophobicContact CG-CG 4.36Å; R149-W180 HydrophobicContact CG-CH2 4.22Å; R149-W180 HydrophobicContact CG-CZ2 4.19Å; R149-W180 HydrophobicContact CG-CZ3 4.01Å; R149-W180 VanDerWaalsContact CZ-CZ2 3.47Å; R149-W180 VanDerWaalsContact NE-CH2 3.34Å; R149-W180 VanDerWaalsContact NE-CZ2 3.29Å; D171-W180 PolarHBondContact OD2-NE1 3.18Å; L175-W180 HydrophobicContact CD1-CH2 4.38Å; L175-W180 HydrophobicContact CD1-CZ2 3.82Å; D176-W180 PolarHBondContact O-N 2.85Å; L178-W180 PolarHBondContact O-N 3.46Å; W180-L182 VanDerWaalsContact C-N 3.31Å; W180-L182 PolarHBondContact O-N 3.47Å; W180-Q183 PolarHBondContact O-N 2.85Å; W180-N184 VanDerWaalsContact O-CB 3.25Å; W180-N184 WeakPolarHBondContact O-CB 3.45Å; W180-N184 VanDerWaalsContact O-CG 3.29Å; W180-N184 PolarHBondContact O-N 3.26Å; W180-N184 PolarHBondContact O-ND2 3.03Å
181S87.8Confident85.7Confident0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-61.8-39.7175.676.70000111.9A177 L178 G185 Q186 S190A177-S181 WeakPolarHBondContact O-CB 2.96Å; A177-S181 PolarHBondContact O-N 3.32Å; L178-S181 PolarHBondContact O-N 2.97Å; L178-S181 VanDerWaalsContact O-N 3.14Å; L178-S181 PolarHBondContact O-OG 3.23Å; S181-G185 PolarHBondContact O-N 3.01Å; S181-Q186 WeakPolarHBondContact O-CB 3.39Å; S181-Q186 PolarHBondContact O-N 3.2Å; S181-S190 WeakPolarHBondContact CB-OG 3.4Å; S181-S190 WeakPolarHBondContact OG-CA 3.39Å; S181-S190 WeakPolarHBondContact OG-CB 3.28Å; S181-S190 PolarHBondContact OG-OG 3.48Å
182L88.3Confident85.5Confident1 Ų131.9 Ų31.91%0.00517%0.171CC..Hα-helixtrans-69.7-47.3178.4-67169.4000111.4L178 S179 W180 N184 G185 S190 H204 I207 F208 F213 L221L178-L182 HydrophobicContact CD1-CD1 4.1Å; L178-L182 HydrophobicContact CD1-CD2 4.49Å; L178-L182 HydrophobicContact CD1-CG 4.07Å; L178-L182 HydrophobicContact CG-CD1 4Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 VanDerWaalsContact O-CG 3.28Å; L178-L182 WeakPolarHBondContact O-CG 2.96Å; L178-L182 PolarHBondContact O-N 2.85Å; S179-L182 PolarHBondContact O-N 3.27Å; W180-L182 VanDerWaalsContact C-N 3.31Å; W180-L182 PolarHBondContact O-N 3.47Å; L182-N184 PolarHBondContact O-N 3.03Å; L182-G185 PolarHBondContact O-N 3.19Å; L182-G185 VanDerWaalsContact O-N 3.08Å; L182-S190 WeakPolarHBondContact CD2-OG 3.34Å; L182-H204 HydrophobicContact CD1-CB 3.87Å; L182-I207 HydrophobicContact CB-CG2 3.69Å; L182-F208 HydrophobicContact CD2-CD2 3.69Å; L182-F208 HydrophobicContact CD2-CE2 4.11Å; L182-F208 HydrophobicContact CD2-CG 4.48Å; L182-F213 HydrophobicContact CD2-CE2 3.99Å; L182-F213 WeakPolarHBondContact O-CE2 3.29Å; L182-L221 HydrophobicContact CD2-CD1 3.78Å; L182-L221 HydrophobicContact CD2-CD2 3.94Å
183Q85.5Confident85.5Confident87 Ų8725.1 Ų25.141%0.40714%0.139SC..Hα-helixtrans-58-39.4177.1-76.3-175.3-7.700112S179 W180 G185 I207S179-Q183 WeakPolarHBondContact O-CG 3.3Å; S179-Q183 PolarHBondContact O-N 3.26Å; W180-Q183 PolarHBondContact O-N 2.85Å; Q183-G185 VanDerWaalsContact C-N 3.27Å; Q183-G185 PolarHBondContact O-N 3.19Å; Q183-I207 HydrophobicContact CB-CG2 4.35Å; Q183-I207 HydrophobicContact CG-CD1 4.47Å; Q183-I207 HydrophobicContact CG-CG1 4.48Å; Q183-I207 HydrophobicContact CG-CG2 3.44Å; Q183-I207 VanDerWaalsContact CG-CG2 3.44Å
184N83.9Confident85.3Confident74 Ų7420.2 Ų20.240%0.39612%0.115SC..THydrogen-bonded Turntrans-82.31.4-179.3-72.4-30.9000113.9S148 W180 L182 Q186S148-N184 PolarHBondContact O-ND2 3.42Å; W180-N184 VanDerWaalsContact O-CB 3.25Å; W180-N184 WeakPolarHBondContact O-CB 3.45Å; W180-N184 VanDerWaalsContact O-CG 3.29Å; W180-N184 PolarHBondContact O-N 3.26Å; W180-N184 PolarHBondContact O-ND2 3.03Å; L182-N184 PolarHBondContact O-N 3.03Å; N184-Q186 VanDerWaalsContact C-N 3.29Å; N184-Q186 HydrophobicContact CB-CG 4.08Å; N184-Q186 PolarHBondContact ND2-NE2 3.21Å; N184-Q186 PolarHBondContact O-N 3.16Å
185G82.2Confident84.9Confident33 Ų3321.9 Ų21.934%0.3412%0.117SC..THydrogen-bonded Turntrans71.219.7179.800000114.5S181 L182 Q183 L187 F213S181-G185 PolarHBondContact O-N 3.01Å; L182-G185 PolarHBondContact O-N 3.19Å; L182-G185 VanDerWaalsContact O-N 3.08Å; Q183-G185 VanDerWaalsContact C-N 3.27Å; Q183-G185 PolarHBondContact O-N 3.19Å; G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 3.4Å; G185-F213 VanDerWaalsContact CA-CZ 3.44Å; G185-F213 WeakPolarHBondContact O-CE1 3.4Å
186Q83.1Confident84.5Confident24 Ų2422.9 Ų22.911%0.11213%0.128CC..  trans-85.469.5-176.2-64.2169.963.500111.5S148 P152 S181 N184 Q188 L189 S190S148-Q186 PolarHBondContact O-NE2 3.06Å; S148-Q186 VanDerWaalsContact O-NE2 3.12Å; P152-Q186 HydrophobicContact CB-CG 4.18Å; S181-Q186 WeakPolarHBondContact O-CB 3.39Å; S181-Q186 PolarHBondContact O-N 3.2Å; N184-Q186 VanDerWaalsContact C-N 3.29Å; N184-Q186 HydrophobicContact CB-CG 4.08Å; N184-Q186 PolarHBondContact ND2-NE2 3.21Å; N184-Q186 PolarHBondContact O-N 3.16Å; Q186-Q188 VanDerWaalsContact C-N 3.33Å; Q186-Q188 PolarHBondContact O-N 2.89Å; Q186-L189 HydrophobicContact CB-CB 3.91Å; Q186-L189 WeakPolarHBondContact O-CB 3.47Å; Q186-L189 PolarHBondContact O-N 3.32Å; Q186-S190 PolarHBondContact O-N 3.14Å; Q186-S190 PolarHBondContact O-OG 3.21Å; Q186-S190 VanDerWaalsContact O-OG 3.12Å
187L80.2Confident83.9Confident14 Ų1425.2 Ų25.27%0.07315%0.153CC..Hα-helixtrans-50.7-48.9-174.7-178.170.5000113.8G185 L189 S190 I191 F213 Q217 L221 L244 M247G185-L187 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 3.4Å; L187-L189 VanDerWaalsContact C-N 3.29Å; L187-L189 PolarHBondContact O-N 2.97Å; L187-S190 PolarHBondContact O-N 2.89Å; L187-I191 HydrophobicContact CD1-CD1 3.9Å; L187-I191 HydrophobicContact CD1-CG1 4.47Å; L187-I191 HydrophobicContact CD2-CD1 4.33Å; L187-I191 HydrophobicContact CG-CD1 3.72Å; L187-I191 WeakPolarHBondContact O-CB 3.27Å; L187-I191 WeakPolarHBondContact O-CG1 3.15Å; L187-I191 PolarHBondContact O-N 3.46Å; L187-F213 HydrophobicContact CB-CE1 3.83Å; L187-F213 HydrophobicContact CB-CZ 4.45Å; L187-F213 HydrophobicContact CD1-CD1 4.5Å; L187-F213 HydrophobicContact CD1-CE1 4.26Å; L187-Q217 HydrophobicContact CD1-CB 3.92Å; L187-Q217 HydrophobicContact CD1-CG 4.17Å; L187-Q217 HydrophobicContact CD2-CB 4.25Å; L187-Q217 HydrophobicContact CD2-CG 3.57Å; L187-Q217 HydrophobicContact CG-CG 4.42Å; L187-L221 HydrophobicContact CD1-CD1 3.75Å; L187-L244 HydrophobicContact CD2-CD1 3.47Å; L187-L244 VanDerWaalsContact CD2-CD1 3.47Å; L187-M247 HydrophobicContact CD2-CE 4.49Å; L187-M247 HydrophobicContact CD2-SD 3.87Å; L187-M247 HydrophobicContact CG-SD 4.09Å
188Q80.3Confident83.5Confident67 Ų6725.7 Ų25.731%0.31316%0.156SC..Hα-helixtrans-59.2-44.9-178.4177.461.815.500110.6Q186 I191 M192 M247Q186-Q188 VanDerWaalsContact C-N 3.33Å; Q186-Q188 PolarHBondContact O-N 2.89Å; Q188-I191 PolarHBondContact O-N 3.25Å; Q188-M192 HydrophobicContact CG-SD 4.23Å; Q188-M192 VanDerWaalsContact O-CG 3.32Å; Q188-M192 WeakPolarHBondContact O-CG 3.39Å; Q188-M192 PolarHBondContact O-N 2.62Å; Q188-M247 HydrophobicContact CB-CE 4.04Å; Q188-M247 HydrophobicContact CG-CE 4.5Å; Q188-M247 VanDerWaalsContact OE1-CG 3.24Å; Q188-M247 PolarHBondContact OE1-SD 3.47Å
189L83.8Confident82.9Confident1 Ų130.4 Ų30.41%0.00519%0.186CC..Hα-helixtrans-64.8-46.4178.5-18061.2000111.1A157 E158 I161 Q186 L187 I191 M192 I193A157-L189 HydrophobicContact CB-CD1 3.45Å; A157-L189 VanDerWaalsContact CB-CD1 3.45Å; A157-L189 HydrophobicContact CB-CD2 3.54Å; A157-L189 HydrophobicContact CB-CG 4.15Å; E158-L189 HydrophobicContact CG-CD1 4.17Å; I161-L189 HydrophobicContact CD1-CD1 3.29Å; Q186-L189 HydrophobicContact CB-CB 3.91Å; Q186-L189 WeakPolarHBondContact O-CB 3.47Å; Q186-L189 PolarHBondContact O-N 3.32Å; L187-L189 VanDerWaalsContact C-N 3.29Å; L187-L189 PolarHBondContact O-N 2.97Å; L189-I191 PolarHBondContact O-N 2.82Å; L189-M192 PolarHBondContact O-N 3.47Å; L189-M192 VanDerWaalsContact O-N 3.09Å; L189-I193 HydrophobicContact CD1-CD1 4.1Å; L189-I193 HydrophobicContact CD1-CG1 4.15Å; L189-I193 HydrophobicContact CD2-CD1 4.4Å; L189-I193 HydrophobicContact CG-CD1 3.84Å; L189-I193 HydrophobicContact CG-CG1 4.31Å; L189-I193 VanDerWaalsContact O-CG1 3.32Å; L189-I193 WeakPolarHBondContact O-CG1 3.35Å; L189-I193 PolarHBondContact O-N 3.44Å
190S86.1Confident82.6Confident0 Ų031.2 Ų31.20%019%0.191CC..Hα-helixtrans-56.2-39.5177.2-54.60000111.9S181 L182 Q186 L187 A194S181-S190 WeakPolarHBondContact CB-OG 3.4Å; S181-S190 WeakPolarHBondContact OG-CA 3.39Å; S181-S190 WeakPolarHBondContact OG-CB 3.28Å; S181-S190 PolarHBondContact OG-OG 3.48Å; L182-S190 WeakPolarHBondContact CD2-OG 3.34Å; Q186-S190 PolarHBondContact O-N 3.14Å; Q186-S190 PolarHBondContact O-OG 3.21Å; Q186-S190 VanDerWaalsContact O-OG 3.12Å; L187-S190 PolarHBondContact O-N 2.89Å; S190-A194 WeakPolarHBondContact O-CB 3.26Å; S190-A194 PolarHBondContact O-N 2.87Å
191I80.5Confident82.4Confident1 Ų131.7 Ų31.71%0.00520%0.199CC..Hα-helixtrans-68.2-45.1176.4-72.9165.7000111.3L187 Q188 L189 I193 A194 Q195 L220 L224 M247 V251L187-I191 HydrophobicContact CD1-CD1 3.9Å; L187-I191 HydrophobicContact CD1-CG1 4.47Å; L187-I191 HydrophobicContact CD2-CD1 4.33Å; L187-I191 HydrophobicContact CG-CD1 3.72Å; L187-I191 WeakPolarHBondContact O-CB 3.27Å; L187-I191 WeakPolarHBondContact O-CG1 3.15Å; L187-I191 PolarHBondContact O-N 3.46Å; Q188-I191 PolarHBondContact O-N 3.25Å; L189-I191 PolarHBondContact O-N 2.82Å; I191-I193 VanDerWaalsContact C-N 3.32Å; I191-I193 PolarHBondContact O-N 3.14Å; I191-A194 PolarHBondContact O-N 3.27Å; I191-Q195 HydrophobicContact CG2-CG 4.22Å; I191-Q195 WeakPolarHBondContact O-CB 3.32Å; I191-Q195 WeakPolarHBondContact O-CG 3.42Å; I191-Q195 PolarHBondContact O-N 2.95Å; I191-L220 HydrophobicContact CD1-CD2 3.34Å; I191-L220 HydrophobicContact CD1-CG 3.7Å; I191-L224 HydrophobicContact CB-CD1 3.94Å; I191-L224 HydrophobicContact CG1-CD1 3.59Å; I191-L224 HydrophobicContact CG2-CD1 3.78Å; I191-M247 HydrophobicContact CD1-CG 3.71Å; I191-M247 HydrophobicContact CD1-SD 3.2Å; I191-M247 WeakPolarHBondContact CD1-SD 3.26Å; I191-M247 HydrophobicContact CG1-SD 4.49Å; I191-M247 HydrophobicContact CG2-CG 4.36Å; I191-V251 HydrophobicContact CG2-CG2 3.68Å
192M82.3Confident82.3Confident25 Ų2538.9 Ų38.912%0.12323%0.23CC..Hα-helixtrans-59.9-43.8176.2-71.5179.370.900111.3E158 I161 Q188 L189 Q195 A196E158-M192 HydrophobicContact CB-CE 3.97Å; E158-M192 HydrophobicContact CB-SD 3.86Å; E158-M192 HydrophobicContact CG-SD 3.79Å; E158-M192 VanDerWaalsContact O-CE 3.26Å; E158-M192 WeakPolarHBondContact O-CE 3.47Å; I161-M192 HydrophobicContact CB-CE 4.37Å; I161-M192 HydrophobicContact CD1-CB 4.07Å; I161-M192 HydrophobicContact CG2-CB 4.02Å; I161-M192 HydrophobicContact CG2-CE 4.42Å; Q188-M192 HydrophobicContact CG-SD 4.23Å; Q188-M192 VanDerWaalsContact O-CG 3.32Å; Q188-M192 WeakPolarHBondContact O-CG 3.39Å; Q188-M192 PolarHBondContact O-N 2.62Å; L189-M192 PolarHBondContact O-N 3.47Å; L189-M192 VanDerWaalsContact O-N 3.09Å; M192-Q195 PolarHBondContact O-N 3.22Å; M192-A196 WeakPolarHBondContact O-CB 3.21Å; M192-A196 PolarHBondContact O-N 2.98Å
193I84.7Confident82.2Confident1 Ų141.4 Ų41.41%0.00525%0.245CC..Hα-helixtrans-62.3-46.7177.5-65.1171.3000110.8I161 A177 L178 L189 I191 A196 G197 V198I161-I193 HydrophobicContact CD1-CB 4.35Å; I161-I193 HydrophobicContact CD1-CD1 4.22Å; I161-I193 HydrophobicContact CD1-CG1 3.27Å; I161-I193 HydrophobicContact CG1-CG1 4.24Å; A177-I193 HydrophobicContact CB-CD1 4.09Å; L178-I193 HydrophobicContact CB-CG2 3.84Å; L178-I193 HydrophobicContact CD1-CB 4.32Å; L178-I193 HydrophobicContact CD1-CG2 4.32Å; L178-I193 HydrophobicContact CG-CG2 4.49Å; L189-I193 HydrophobicContact CD1-CD1 4.1Å; L189-I193 HydrophobicContact CD1-CG1 4.15Å; L189-I193 HydrophobicContact CD2-CD1 4.4Å; L189-I193 HydrophobicContact CG-CD1 3.84Å; L189-I193 HydrophobicContact CG-CG1 4.31Å; L189-I193 VanDerWaalsContact O-CG1 3.32Å; L189-I193 WeakPolarHBondContact O-CG1 3.35Å; L189-I193 PolarHBondContact O-N 3.44Å; I191-I193 VanDerWaalsContact C-N 3.32Å; I191-I193 PolarHBondContact O-N 3.14Å; I193-A196 PolarHBondContact O-N 3.23Å; I193-G197 PolarHBondContact O-N 2.93Å; I193-V198 HydrophobicContact CG2-CB 3.7Å; I193-V198 HydrophobicContact CG2-CG1 4.25Å; I193-V198 HydrophobicContact CG2-CG2 3.49Å; I193-V198 VanDerWaalsContact CG2-CG2 3.49Å; I193-V198 PolarHBondContact O-N 2.84Å
194A82.7Confident82.3Confident16 Ų1637.5 Ų37.513%0.13223%0.227CC..Hα-helixtrans-64.1-41.3178.200000112.3S190 I191 A196 G197 I200 L224S190-A194 WeakPolarHBondContact O-CB 3.26Å; S190-A194 PolarHBondContact O-N 2.87Å; I191-A194 PolarHBondContact O-N 3.27Å; A194-A196 VanDerWaalsContact C-N 3.33Å; A194-A196 PolarHBondContact O-N 3.38Å; A194-G197 PolarHBondContact O-N 2.87Å; A194-G197 VanDerWaalsContact O-N 3.13Å; A194-I200 HydrophobicContact CB-CD1 4.25Å; A194-L224 HydrophobicContact CB-CB 4.43Å; A194-L224 HydrophobicContact CB-CD1 4.24Å
195Q77.9Confident82.2Confident57 Ų5738.1 Ų38.127%0.26622%0.224SC..Hα-helixtrans-64.3-37.6176.8-78.1175.6-18.300112.8I191 M192 G197 L224 V251I191-Q195 HydrophobicContact CG2-CG 4.22Å; I191-Q195 WeakPolarHBondContact O-CB 3.32Å; I191-Q195 WeakPolarHBondContact O-CG 3.42Å; I191-Q195 PolarHBondContact O-N 2.95Å; M192-Q195 PolarHBondContact O-N 3.22Å; Q195-G197 PolarHBondContact O-N 3.18Å; Q195-L224 HydrophobicContact CG-CD2 3.68Å; Q195-V251 VanDerWaalsContact NE2-CA 3.26Å
196A78.8Confident82.3Confident41 Ų4142 Ų4234%0.33923%0.233SC..Hα-helixtrans-65.8-21.6177.700000111I161 M166 M192 I193 A194I161-A196 HydrophobicContact CG2-CB 3.78Å; M166-A196 HydrophobicContact CE-CB 3.15Å; M166-A196 WeakPolarHBondContact CE-O 3.32Å; M166-A196 HydrophobicContact CG-CB 4.38Å; M166-A196 HydrophobicContact SD-CB 3.62Å; M192-A196 WeakPolarHBondContact O-CB 3.21Å; M192-A196 PolarHBondContact O-N 2.98Å; I193-A196 PolarHBondContact O-N 3.23Å; A194-A196 VanDerWaalsContact C-N 3.33Å; A194-A196 PolarHBondContact O-N 3.38Å
197G77.7Confident82.4Confident53 Ų5341.8 Ų41.855%0.54623%0.233SC..THydrogen-bonded Turntrans121.711.9168.600000115I193 A194 Q195 P199I193-G197 PolarHBondContact O-N 2.93Å; A194-G197 PolarHBondContact O-N 2.87Å; A194-G197 VanDerWaalsContact O-N 3.13Å; Q195-G197 PolarHBondContact O-N 3.18Å; G197-P199 WeakPolarHBondContact O-CD 3.08Å
198V80.1Confident82.3Confident12 Ų1241.5 Ų41.57%0.07323%0.231CC..  trans-68120173.1-178.50000109.3M166 L178 I193M166-V198 HydrophobicContact CE-CG2 3.53Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; I193-V198 HydrophobicContact CG2-CB 3.7Å; I193-V198 HydrophobicContact CG2-CG1 4.25Å; I193-V198 HydrophobicContact CG2-CG2 3.49Å; I193-V198 VanDerWaalsContact CG2-CG2 3.49Å; I193-V198 PolarHBondContact O-N 2.84Å
199P77.2Confident82.2Confident100 Ų10044 Ų4465%0.64924%0.241SC*.  trans-70.2135.9-177.526.9-32.6000111.9G197 S201G197-P199 WeakPolarHBondContact O-CD 3.08Å; P199-S201 PolarHBondContact O-N 3.33Å
200I82.5Confident82Confident18 Ų1848.3 Ų48.39%0.09228%0.276CS..  trans-79.493.1179.8-60.6168.7000109.8L178 A194 H204 R205 L221 E225L178-I200 HydrophobicContact CD2-CG1 4.05Å; A194-I200 HydrophobicContact CB-CD1 4.25Å; I200-H204 HydrophobicContact CG2-CB 3.83Å; I200-R205 HydrophobicContact CG2-CG 4.05Å; I200-R205 PolarHBondContact O-NH2 3.33Å; I200-L221 HydrophobicContact CD1-CD2 4.05Å; I200-E225 HydrophobicContact CB-CB 4.44Å; I200-E225 HydrophobicContact CB-CG 4.03Å; I200-E225 HydrophobicContact CD1-CB 3.77Å; I200-E225 HydrophobicContact CD1-CG 4.3Å
201S85Confident81.5Confident41 Ų4149 Ų4929%0.28728%0.281SS..  trans-61.8168.9171.284.60000114.4P199 T203 H204 R205P199-S201 PolarHBondContact O-N 3.33Å; S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 2.98Å; S201-T203 PolarHBondContact OG-N 2.91Å; S201-H204 PolarHBondContact N-ND1 2.95Å; S201-H204 WeakPolarHBondContact O-CB 3.27Å; S201-H204 PolarHBondContact O-N 3.34Å; S201-H204 PolarHBondContact OG-CE1 3.27Å; S201-H204 PolarHBondContact OG-N 3.12Å; S201-H204 PolarHBondContact OG-ND1 3.33Å; S201-R205 PolarHBondContact O-N 3.41Å
202K85Confident81.4Confident150 Ų15054.6 Ų54.665%0.65232%0.32SS*.Hα-helixtrans-60.3-37.1174.2-173.7-179.5177.8-176.80112.1R205 Q206K202-R205 PolarHBondContact O-N 2.99Å; K202-Q206 WeakPolarHBondContact O-CG 3.36Å; K202-Q206 PolarHBondContact O-N 3.38Å
203T86.7Confident81.3Confident55 Ų5553.9 Ų53.934%0.33732%0.317SS..Hα-helixtrans-60.7-45.4178.5-44.30000110.8S201 R205 Q206 I207S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 2.98Å; S201-T203 PolarHBondContact OG-N 2.91Å; T203-R205 VanDerWaalsContact C-N 3.31Å; T203-R205 PolarHBondContact O-N 3.35Å; T203-Q206 WeakPolarHBondContact O-CB 3.32Å; T203-Q206 PolarHBondContact O-N 3.09Å; T203-Q206 VanDerWaalsContact O-N 3.15Å; T203-I207 HydrophobicContact CG2-CD1 4.24Å; T203-I207 WeakPolarHBondContact O-CG1 3.47Å; T203-I207 PolarHBondContact O-N 2.85Å
204H86.9Confident81.1Confident5 Ų557.1 Ų57.12%0.02334%0.337CS..Hα-helixtrans-57.3-44174.6-60.2121.2000112.1D176 L178 S179 L182 I200 S201 Q206 I207 F208D176-H204 VanDerWaalsContact CG-NE2 3.31Å; D176-H204 IonicContact OD1-CD2 2.84Å; D176-H204 IonicContact OD1-CE1 3.14Å; D176-H204 IonicContact OD1-NE2 3.16Å; D176-H204 PolarHBondContact OD1-NE2 3.07Å; D176-H204 IonicContact OD2-CE1 3.94Å; D176-H204 IonicContact OD2-NE2 2.97Å; D176-H204 PolarHBondContact OD2-NE2 2.97Å; L178-H204 HydrophobicContact CD2-CB 4.5Å; S179-H204 PolarHBondContact OG-CD2 3.45Å; S179-H204 PolarHBondContact OG-NE2 3.33Å; S179-H204 VanDerWaalsContact OG-NE2 3.17Å; L182-H204 HydrophobicContact CD1-CB 3.87Å; I200-H204 HydrophobicContact CG2-CB 3.83Å; S201-H204 PolarHBondContact N-ND1 2.95Å; S201-H204 WeakPolarHBondContact O-CB 3.27Å; S201-H204 PolarHBondContact O-N 3.34Å; S201-H204 PolarHBondContact OG-CE1 3.27Å; S201-H204 PolarHBondContact OG-N 3.12Å; S201-H204 PolarHBondContact OG-ND1 3.33Å; H204-Q206 VanDerWaalsContact C-N 3.33Å; H204-Q206 PolarHBondContact O-N 2.93Å; H204-I207 PolarHBondContact O-N 2.83Å; H204-F208 WeakPolarHBondContact O-CB 3.48Å; H204-F208 PolarHBondContact O-N 3.32Å
205R82.4Confident80.9Confident87 Ų8759 Ų5933%0.32835%0.352SS..Hα-helixtrans-63.4-40.7178.8-60.2-170.1-157.6111.414.7111.4I200 S201 K202 T203 F208 F209 E225I200-R205 HydrophobicContact CG2-CG 4.05Å; I200-R205 PolarHBondContact O-NH2 3.33Å; S201-R205 PolarHBondContact O-N 3.41Å; K202-R205 PolarHBondContact O-N 2.99Å; T203-R205 VanDerWaalsContact C-N 3.31Å; T203-R205 PolarHBondContact O-N 3.35Å; R205-F208 WeakPolarHBondContact O-CB 3.37Å; R205-F208 PolarHBondContact O-N 2.7Å; R205-F209 HydrophobicContact CB-CD2 4.49Å; R205-F209 HydrophobicContact CB-CE2 4.46Å; R205-F209 WeakPolarHBondContact O-CD2 3.45Å; R205-F209 PolarHBondContact O-N 3.34Å; R205-E225 IonicContact CZ-OE1 2.89Å; R205-E225 IonicContact CZ-OE2 2.85Å; R205-E225 IonicContact NE-OE1 3.43Å; R205-E225 PolarHBondContact NE-OE1 3.01Å; R205-E225 IonicContact NE-OE2 3.71Å; R205-E225 PolarHBondContact NE-OE2 3.43Å; R205-E225 VanDerWaalsContact NH2-CD 3.32Å; R205-E225 IonicContact NH2-OE1 3.55Å; R205-E225 PolarHBondContact NH2-OE1 2.9Å; R205-E225 IonicContact NH2-OE2 3.88Å; R205-E225 PolarHBondContact NH2-OE2 3.39Å
206Q85Confident80.8Confident114 Ų11459 Ų5953%0.53335%0.352SS..Hα-helixtrans-62-49.3177-71.5173-23.100111.6K202 T203 H204 F208 F209 A210K202-Q206 WeakPolarHBondContact O-CG 3.36Å; K202-Q206 PolarHBondContact O-N 3.38Å; T203-Q206 WeakPolarHBondContact O-CB 3.32Å; T203-Q206 PolarHBondContact O-N 3.09Å; T203-Q206 VanDerWaalsContact O-N 3.15Å; H204-Q206 VanDerWaalsContact C-N 3.33Å; H204-Q206 PolarHBondContact O-N 2.93Å; Q206-F208 PolarHBondContact O-N 3.12Å; Q206-F209 PolarHBondContact O-N 3.18Å; Q206-A210 WeakPolarHBondContact O-CB 3.35Å; Q206-A210 PolarHBondContact O-N 3.36Å
207I84.4Confident80.7Confident20 Ų2059.1 Ų59.110%0.10335%0.346CS..Hα-helixtrans-56.5-45.4174.6-67.8168.3000110.2L175 L182 Q183 T203 H204 F209 A210 S211L175-I207 HydrophobicContact CD2-CD1 3.62Å; L182-I207 HydrophobicContact CB-CG2 3.69Å; Q183-I207 HydrophobicContact CB-CG2 4.35Å; Q183-I207 HydrophobicContact CG-CD1 4.47Å; Q183-I207 HydrophobicContact CG-CG1 4.48Å; Q183-I207 HydrophobicContact CG-CG2 3.44Å; Q183-I207 VanDerWaalsContact CG-CG2 3.44Å; T203-I207 HydrophobicContact CG2-CD1 4.24Å; T203-I207 WeakPolarHBondContact O-CG1 3.47Å; T203-I207 PolarHBondContact O-N 2.85Å; H204-I207 PolarHBondContact O-N 2.83Å; I207-F209 PolarHBondContact O-N 2.92Å; I207-A210 CarbonylContact O-C 3.55Å; I207-A210 PolarHBondContact O-N 3.47Å; I207-S211 WeakPolarHBondContact O-CB 3.47Å; I207-S211 PolarHBondContact O-N 2.84Å; I207-S211 PolarHBondContact O-OG 3.26Å
208F79Confident80.7Confident7 Ų760 Ų603%0.03133%0.332CS..Hα-helixtrans-64.6-42.2-176.8-172.7-127.8000113.3L182 H204 R205 Q206 A210 S211 F213 R218 L221L182-F208 HydrophobicContact CD2-CD2 3.69Å; L182-F208 HydrophobicContact CD2-CE2 4.11Å; L182-F208 HydrophobicContact CD2-CG 4.48Å; H204-F208 WeakPolarHBondContact O-CB 3.48Å; H204-F208 PolarHBondContact O-N 3.32Å; R205-F208 WeakPolarHBondContact O-CB 3.37Å; R205-F208 PolarHBondContact O-N 2.7Å; Q206-F208 PolarHBondContact O-N 3.12Å; F208-A210 VanDerWaalsContact C-N 3.29Å; F208-A210 PolarHBondContact O-N 3.01Å; F208-S211 WeakPolarHBondContact CA-OG 3.22Å; F208-S211 PolarHBondContact O-N 3.1Å; F208-S211 PolarHBondContact O-OG 3.02Å; F208-F213 AromaticContact CD2-CD2 3.37Å; F208-F213 HydrophobicContact CD2-CD2 3.37Å; F208-F213 AromaticContact CD2-CE2 3.76Å; F208-F213 HydrophobicContact CD2-CE2 3.76Å; F208-F213 HydrophobicContact CD2-CG 4.41Å; F208-F213 HydrophobicContact CE2-CB 4.18Å; F208-F213 AromaticContact CE2-CD2 3.21Å; F208-F213 HydrophobicContact CE2-CD2 3.21Å; F208-F213 AromaticContact CE2-CE2 3.73Å; F208-F213 HydrophobicContact CE2-CE2 3.73Å; F208-F213 AromaticContact CE2-CG 3.91Å; F208-F213 HydrophobicContact CE2-CG 3.91Å; F208-F213 HydrophobicContact CZ-CD2 4.42Å; F208-R218 HydrophobicContact CD1-CG 4.2Å; F208-R218 VanDerWaalsContact CE1-CA 3.44Å; F208-R218 HydrophobicContact CE1-CB 3.71Å; F208-R218 HydrophobicContact CE1-CG 3.55Å; F208-R218 HydrophobicContact CE2-CG 4.3Å; F208-R218 HydrophobicContact CZ-CB 3.96Å; F208-R218 HydrophobicContact CZ-CG 3.66Å; F208-L221 HydrophobicContact CD2-CD1 4.43Å; F208-L221 HydrophobicContact CE1-CB 3.91Å; F208-L221 HydrophobicContact CE2-CB 4.12Å; F208-L221 HydrophobicContact CE2-CD1 3.62Å; F208-L221 HydrophobicContact CE2-CG 4.36Å; F208-L221 HydrophobicContact CZ-CB 3.44Å; F208-L221 VanDerWaalsContact CZ-CB 3.44Å; F208-L221 HydrophobicContact CZ-CD1 3.81Å; F208-L221 HydrophobicContact CZ-CG 4.16Å
209F77.9Confident80.5Confident121 Ų12160.6 Ų60.653%0.53134%0.335SS..Hα-helixtrans-68.3-30.3174.8-78.7-65.8000112.8R205 Q206 I207 R218R205-F209 HydrophobicContact CB-CD2 4.49Å; R205-F209 HydrophobicContact CB-CE2 4.46Å; R205-F209 WeakPolarHBondContact O-CD2 3.45Å; R205-F209 PolarHBondContact O-N 3.34Å; Q206-F209 PolarHBondContact O-N 3.18Å; I207-F209 PolarHBondContact O-N 2.92Å; F209-R218 PolarHBondContact O-NH2 3.4Å
210A79.3Confident80.5Confident90 Ų9055.8 Ų55.874%0.74430%0.304SS*.Hα-helixtrans-78.1-23.1175.100000113.5Q206 I207 F208Q206-A210 WeakPolarHBondContact O-CB 3.35Å; Q206-A210 PolarHBondContact O-N 3.36Å; I207-A210 CarbonylContact O-C 3.55Å; I207-A210 PolarHBondContact O-N 3.47Å; F208-A210 VanDerWaalsContact C-N 3.29Å; F208-A210 PolarHBondContact O-N 3.01Å
211S75.6Confident80Confident15 Ų1555.2 Ų55.211%0.10530%0.301CS..SBendtrans-76.5157.7-179.1680000113.3I207 F208 F213 R218I207-S211 WeakPolarHBondContact O-CB 3.47Å; I207-S211 PolarHBondContact O-N 2.84Å; I207-S211 PolarHBondContact O-OG 3.26Å; F208-S211 WeakPolarHBondContact CA-OG 3.22Å; F208-S211 PolarHBondContact O-N 3.1Å; F208-S211 PolarHBondContact O-OG 3.02Å; S211-F213 PolarHBondContact O-N 2.84Å; S211-F213 WeakPolarHBondContact OG-CD2 3.25Å; S211-R218 PolarHBondContact O-NH2 3.21Å; S211-R218 VanDerWaalsContact O-NH2 3.11Å
212S78.9Confident79.5Confident118 Ų11855.7 Ų55.783%0.82530%0.3SS*.  trans-74.215.5-175.2550000115.3
213F79.3Confident79Confident11 Ų1148.6 Ų48.65%0.04827%0.269CS..  trans-66.7141.7179.3-69.9-57000112.8L182 G185 L187 F208 S211 Q217 R218L182-F213 HydrophobicContact CD2-CE2 3.99Å; L182-F213 WeakPolarHBondContact O-CE2 3.29Å; G185-F213 VanDerWaalsContact CA-CZ 3.44Å; G185-F213 WeakPolarHBondContact O-CE1 3.4Å; L187-F213 HydrophobicContact CB-CE1 3.83Å; L187-F213 HydrophobicContact CB-CZ 4.45Å; L187-F213 HydrophobicContact CD1-CD1 4.5Å; L187-F213 HydrophobicContact CD1-CE1 4.26Å; F208-F213 AromaticContact CD2-CD2 3.37Å; F208-F213 HydrophobicContact CD2-CD2 3.37Å; F208-F213 AromaticContact CD2-CE2 3.76Å; F208-F213 HydrophobicContact CD2-CE2 3.76Å; F208-F213 HydrophobicContact CD2-CG 4.41Å; F208-F213 HydrophobicContact CE2-CB 4.18Å; F208-F213 AromaticContact CE2-CD2 3.21Å; F208-F213 HydrophobicContact CE2-CD2 3.21Å; F208-F213 AromaticContact CE2-CE2 3.73Å; F208-F213 HydrophobicContact CE2-CE2 3.73Å; F208-F213 AromaticContact CE2-CG 3.91Å; F208-F213 HydrophobicContact CE2-CG 3.91Å; F208-F213 HydrophobicContact CZ-CD2 4.42Å; S211-F213 PolarHBondContact O-N 2.84Å; S211-F213 WeakPolarHBondContact OG-CD2 3.25Å; F213-Q217 HydrophobicContact CB-CB 3.94Å; F213-Q217 HydrophobicContact CD1-CB 4.15Å; F213-Q217 HydrophobicContact CD1-CG 4.47Å; F213-Q217 HydrophobicContact CG-CB 4.29Å; F213-R218 HydrophobicContact CB-CG 4.36Å; F213-R218 PolarHBondContact O-NE 2.91Å
214T80.2Confident78.3Confident69 Ų6946.7 Ų46.742%0.42326%0.257SS..  trans-65.1162.4172.559.40000112.1E216 Q217 R218T214-E216 PolarHBondContact O-N 3.47Å; T214-Q217 PolarHBondContact O-N 3.33Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.16Å; T214-Q217 PolarHBondContact OG1-N 3.21Å; T214-Q217 PolarHBondContact OG1-OE1 3.41Å; T214-R218 WeakPolarHBondContact O-CG 3.37Å; T214-R218 PolarHBondContact O-N 2.98Å
215A78.5Confident77.6Confident55 Ų5549.9 Ų49.946%0.45527%0.271SS..Hα-helixtrans-58.2-36.2178.600000112.3R218 I219A215-R218 WeakPolarHBondContact O-CB 3.38Å; A215-R218 PolarHBondContact O-N 3.37Å; A215-I219 WeakPolarHBondContact O-CG1 3.5Å; A215-I219 PolarHBondContact O-N 3.13Å
216E75.8Confident77.1Confident57 Ų5754 Ų5427%0.26629%0.287SS..Hα-helixtrans-73-39.5-179.7-59.583.9-175.400111.5T214 R218 I219 L220 L235 T240 L244T214-E216 PolarHBondContact O-N 3.47Å; E216-R218 PolarHBondContact O-N 2.88Å; E216-I219 PolarHBondContact O-N 3.47Å; E216-L220 PolarHBondContact O-N 2.97Å; E216-L235 HydrophobicContact CB-CD1 4.25Å; E216-L235 WeakPolarHBondContact O-CD1 3.48Å; E216-T240 HydrophobicContact CB-CG2 3.96Å; E216-T240 HydrophobicContact CG-CG2 3.65Å; E216-L244 HydrophobicContact CB-CD2 3.53Å
217Q77.8Confident76.4Confident44 Ų4455.5 Ų55.521%0.20629%0.288CS..Hα-helixtrans-60.4-36.1170.6-68.3171.8-41.900111.3L187 F213 T214 L220 L221 L244L187-Q217 HydrophobicContact CD1-CB 3.92Å; L187-Q217 HydrophobicContact CD1-CG 4.17Å; L187-Q217 HydrophobicContact CD2-CB 4.25Å; L187-Q217 HydrophobicContact CD2-CG 3.57Å; L187-Q217 HydrophobicContact CG-CG 4.42Å; F213-Q217 HydrophobicContact CB-CB 3.94Å; F213-Q217 HydrophobicContact CD1-CB 4.15Å; F213-Q217 HydrophobicContact CD1-CG 4.47Å; F213-Q217 HydrophobicContact CG-CB 4.29Å; T214-Q217 PolarHBondContact O-N 3.33Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.16Å; T214-Q217 PolarHBondContact OG1-N 3.21Å; T214-Q217 PolarHBondContact OG1-OE1 3.41Å; Q217-L220 PolarHBondContact O-N 2.98Å; Q217-L221 PolarHBondContact O-N 2.83Å; Q217-L244 HydrophobicContact CG-CD1 4.02Å
218R77.9Confident75.9Confident72 Ų7256.8 Ų56.827%0.27230%0.295SS..Hα-helixtrans-61.7-48.9173.3-66.4179-172.8178-2.3114.2F208 F209 S211 F213 T214 A215 E216 L220 L221 L222F208-R218 HydrophobicContact CD1-CG 4.2Å; F208-R218 VanDerWaalsContact CE1-CA 3.44Å; F208-R218 HydrophobicContact CE1-CB 3.71Å; F208-R218 HydrophobicContact CE1-CG 3.55Å; F208-R218 HydrophobicContact CE2-CG 4.3Å; F208-R218 HydrophobicContact CZ-CB 3.96Å; F208-R218 HydrophobicContact CZ-CG 3.66Å; F209-R218 PolarHBondContact O-NH2 3.4Å; S211-R218 PolarHBondContact O-NH2 3.21Å; S211-R218 VanDerWaalsContact O-NH2 3.11Å; F213-R218 HydrophobicContact CB-CG 4.36Å; F213-R218 PolarHBondContact O-NE 2.91Å; T214-R218 WeakPolarHBondContact O-CG 3.37Å; T214-R218 PolarHBondContact O-N 2.98Å; A215-R218 WeakPolarHBondContact O-CB 3.38Å; A215-R218 PolarHBondContact O-N 3.37Å; E216-R218 PolarHBondContact O-N 2.88Å; R218-L220 VanDerWaalsContact C-N 3.29Å; R218-L220 PolarHBondContact O-N 3.45Å; R218-L221 PolarHBondContact O-N 3.4Å; R218-L222 WeakPolarHBondContact O-CB 3.39Å; R218-L222 WeakPolarHBondContact O-CG 3.47Å; R218-L222 PolarHBondContact O-N 2.98Å; R218-L222 VanDerWaalsContact O-N 3.08Å
219I75.7Confident75.3Confident23 Ų2358.4 Ų58.412%0.11831%0.305CS..Hα-helixtrans-58.4-43.7175.4-72163.2000110.8A215 E216 L221 L222 S223 L231 L235A215-I219 WeakPolarHBondContact O-CG1 3.5Å; A215-I219 PolarHBondContact O-N 3.13Å; E216-I219 PolarHBondContact O-N 3.47Å; I219-L221 PolarHBondContact O-N 3.22Å; I219-L222 PolarHBondContact O-N 3.16Å; I219-S223 VanDerWaalsContact O-CB 3.25Å; I219-S223 WeakPolarHBondContact O-CB 3.38Å; I219-S223 PolarHBondContact O-N 3.06Å; I219-S223 PolarHBondContact O-OG 3.14Å; I219-L231 HydrophobicContact CB-CD2 4.4Å; I219-L231 HydrophobicContact CG1-CD2 4.42Å; I219-L231 HydrophobicContact CG2-CD2 3.7Å; I219-L231 WeakPolarHBondContact CG2-O 3.26Å; I219-L235 HydrophobicContact CB-CD1 4.02Å; I219-L235 HydrophobicContact CG2-CB 4.04Å; I219-L235 HydrophobicContact CG2-CD1 3.78Å
220L75.8Confident74.9Confident0 Ų056.5 Ų56.50%030%0.301CS..Hα-helixtrans-60.8-46.7-178.7-173.154.3000112.6I191 E216 Q217 R218 S223 L224 L232 L235 L244 M247 A248 V251I191-L220 HydrophobicContact CD1-CD2 3.34Å; I191-L220 HydrophobicContact CD1-CG 3.7Å; E216-L220 PolarHBondContact O-N 2.97Å; Q217-L220 PolarHBondContact O-N 2.98Å; R218-L220 VanDerWaalsContact C-N 3.29Å; R218-L220 PolarHBondContact O-N 3.45Å; L220-S223 PolarHBondContact O-N 3.39Å; L220-S223 PolarHBondContact O-OG 3.06Å; L220-L224 PolarHBondContact O-N 3.41Å; L220-L232 HydrophobicContact CD1-CD2 3.58Å; L220-L235 HydrophobicContact CB-CD1 3.8Å; L220-L244 HydrophobicContact CD2-CD1 3.59Å; L220-L244 HydrophobicContact CD2-CG 4.12Å; L220-M247 HydrophobicContact CD2-CB 4.3Å; L220-M247 HydrophobicContact CD2-CG 4.15Å; L220-M247 HydrophobicContact CD2-SD 4.08Å; L220-A248 HydrophobicContact CD1-CB 3.8Å; L220-V251 HydrophobicContact CD1-CG2 4.33Å
221L73.5Confident74.5Confident6 Ų654.1 Ų54.13%0.03128%0.275CS..Hα-helixtrans-70.9-38.4179.9-118.4132.7000112.9L182 L187 I200 F208 Q217 R218 I219 S223 L224 E225L182-L221 HydrophobicContact CD2-CD1 3.78Å; L182-L221 HydrophobicContact CD2-CD2 3.94Å; L187-L221 HydrophobicContact CD1-CD1 3.75Å; I200-L221 HydrophobicContact CD1-CD2 4.05Å; F208-L221 HydrophobicContact CD2-CD1 4.43Å; F208-L221 HydrophobicContact CE1-CB 3.91Å; F208-L221 HydrophobicContact CE2-CB 4.12Å; F208-L221 HydrophobicContact CE2-CD1 3.62Å; F208-L221 HydrophobicContact CE2-CG 4.36Å; F208-L221 HydrophobicContact CZ-CB 3.44Å; F208-L221 VanDerWaalsContact CZ-CB 3.44Å; F208-L221 HydrophobicContact CZ-CD1 3.81Å; F208-L221 HydrophobicContact CZ-CG 4.16Å; Q217-L221 PolarHBondContact O-N 2.83Å; R218-L221 PolarHBondContact O-N 3.4Å; I219-L221 PolarHBondContact O-N 3.22Å; L221-S223 VanDerWaalsContact C-N 3.27Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-L224 WeakPolarHBondContact O-CB 3.39Å; L221-L224 PolarHBondContact O-N 3.48Å; L221-E225 PolarHBondContact O-N 3.3Å
222L73.1Confident74.3Confident51 Ų5153.5 Ų53.527%0.26727%0.271SS..Hα-helixtrans-64.5-35.3174.4-73168.9000112R218 I219 L224 E225 R226R218-L222 WeakPolarHBondContact O-CB 3.39Å; R218-L222 WeakPolarHBondContact O-CG 3.47Å; R218-L222 PolarHBondContact O-N 2.98Å; R218-L222 VanDerWaalsContact O-N 3.08Å; I219-L222 PolarHBondContact O-N 3.16Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 3.29Å; L222-E225 PolarHBondContact O-N 2.63Å; L222-R226 PolarHBondContact O-N 3.25Å
223S74.8Confident73.8Confident0 Ų051.2 Ų51.20%024%0.244CC..Hα-helixtrans-68.7-30.4178.374.20000113.1I219 L220 L221 R227 D228 L232I219-S223 VanDerWaalsContact O-CB 3.25Å; I219-S223 WeakPolarHBondContact O-CB 3.38Å; I219-S223 PolarHBondContact O-N 3.06Å; I219-S223 PolarHBondContact O-OG 3.14Å; L220-S223 PolarHBondContact O-N 3.39Å; L220-S223 PolarHBondContact O-OG 3.06Å; L221-S223 VanDerWaalsContact C-N 3.27Å; L221-S223 PolarHBondContact O-N 3.15Å; S223-R227 WeakPolarHBondContact O-CA 3.44Å; S223-R227 PolarHBondContact O-N 3Å; S223-D228 PolarHBondContact O-N 3.06Å; S223-L232 WeakPolarHBondContact OG-CD2 3.44Å; S223-L232 VanDerWaalsContact OG-CG 3.26Å; S223-L232 WeakPolarHBondContact OG-CG 3.2Å
224L72.2Confident73.6Confident16 Ų1652.3 Ų52.38%0.08425%0.253CS..Hα-helixtrans-65.5-45.1172.7-82.2163000112.2I191 A194 Q195 L220 L221 L222 R226 R227 V251 I255I191-L224 HydrophobicContact CB-CD1 3.94Å; I191-L224 HydrophobicContact CG1-CD1 3.59Å; I191-L224 HydrophobicContact CG2-CD1 3.78Å; A194-L224 HydrophobicContact CB-CB 4.43Å; A194-L224 HydrophobicContact CB-CD1 4.24Å; Q195-L224 HydrophobicContact CG-CD2 3.68Å; L220-L224 PolarHBondContact O-N 3.41Å; L221-L224 WeakPolarHBondContact O-CB 3.39Å; L221-L224 PolarHBondContact O-N 3.48Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 3.29Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 3.25Å; L224-R227 PolarHBondContact O-N 2.95Å; L224-V251 HydrophobicContact CD1-CG2 4.3Å; L224-V251 HydrophobicContact CD2-CB 4.25Å; L224-V251 HydrophobicContact CD2-CG1 3.3Å; L224-V251 HydrophobicContact CD2-CG2 3.99Å; L224-V251 HydrophobicContact CG-CG1 3.87Å; L224-V251 HydrophobicContact CG-CG2 4.34Å; L224-I255 HydrophobicContact CD2-CD1 4.49Å
225E72.3Confident73.4Confident71 Ų7149 Ų4933%0.33223%0.233SC..Hα-helixtrans-57.1-47.8178.5-168.5-172.8142.800111.2I200 R205 L221 L222 R227I200-E225 HydrophobicContact CB-CB 4.44Å; I200-E225 HydrophobicContact CB-CG 4.03Å; I200-E225 HydrophobicContact CD1-CB 3.77Å; I200-E225 HydrophobicContact CD1-CG 4.3Å; R205-E225 IonicContact CZ-OE1 2.89Å; R205-E225 IonicContact CZ-OE2 2.85Å; R205-E225 IonicContact NE-OE1 3.43Å; R205-E225 PolarHBondContact NE-OE1 3.01Å; R205-E225 IonicContact NE-OE2 3.71Å; R205-E225 PolarHBondContact NE-OE2 3.43Å; R205-E225 VanDerWaalsContact NH2-CD 3.32Å; R205-E225 IonicContact NH2-OE1 3.55Å; R205-E225 PolarHBondContact NH2-OE1 2.9Å; R205-E225 IonicContact NH2-OE2 3.88Å; R205-E225 PolarHBondContact NH2-OE2 3.39Å; L221-E225 PolarHBondContact O-N 3.3Å; L222-E225 PolarHBondContact O-N 2.63Å; E225-R227 VanDerWaalsContact C-N 3.33Å
226R72Confident73.1Confident175 Ų17547 Ų4766%0.6621%0.214SC*.Hα-helixtrans-86.1-6.7-173.6-68.4-176.3156.4167.4-5.3113.6L222 L224 D228L222-R226 PolarHBondContact O-N 3.25Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 3.25Å; R226-D228 HydrophobicContact CB-CB 3.66Å; R226-D228 PolarHBondContact O-N 3.23Å; R226-D228 VanDerWaalsContact O-N 3.14Å
227R70.9Confident73Confident144 Ų14450.1 Ų50.154%0.54323%0.228SC..THydrogen-bonded Turntrans46.636.5-165.1-58-177.2177.8-164.7-0.8111.3S223 L224 E225 V229S223-R227 WeakPolarHBondContact O-CA 3.44Å; S223-R227 PolarHBondContact O-N 3Å; L224-R227 PolarHBondContact O-N 2.95Å; E225-R227 VanDerWaalsContact C-N 3.33Å; R227-V229 PolarHBondContact O-N 3.4Å
228D72.3Confident72.9Confident48 Ų4853.4 Ų53.426%0.25724%0.239SC..  trans-90.3102.6-168.9-173.5-26.4000109.9S223 R226 D230 L231 L232S223-D228 PolarHBondContact O-N 3.06Å; R226-D228 HydrophobicContact CB-CB 3.66Å; R226-D228 PolarHBondContact O-N 3.23Å; R226-D228 VanDerWaalsContact O-N 3.14Å; D228-D230 VanDerWaalsContact C-N 3.28Å; D228-D230 PolarHBondContact O-N 2.99Å; D228-D230 WeakPolarHBondContact OD1-CB 3.18Å; D228-D230 PolarHBondContact OD1-N 3.29Å; D228-L231 HydrophobicContact CB-CB 3.98Å; D228-L231 HydrophobicContact CB-CD1 4.22Å; D228-L231 PolarHBondContact O-N 3.27Å; D228-L231 PolarHBondContact OD1-N 3.04Å; D228-L232 PolarHBondContact O-N 3.35Å; D228-L232 VanDerWaalsContact O-N 3.15Å
229V67.5Low72.6Confident40 Ų4059.4 Ų59.424%0.24227%0.27CS..Hα-helixtrans-68.1-29.1-177.5-173.90000111.4R227 L232 R233 I274R227-V229 PolarHBondContact O-N 3.4Å; V229-L232 PolarHBondContact O-N 3.12Å; V229-R233 WeakPolarHBondContact O-CB 3.35Å; V229-R233 PolarHBondContact O-N 2.92Å; V229-I274 HydrophobicContact CG1-CG2 4.36Å
230D68.6Low72.4Confident82 Ų8259.2 Ų59.244%0.43927%0.27SS..Hα-helixtrans-72.9-38.9178.2-73-55.2000111.2D228 L232 R233 S234D228-D230 VanDerWaalsContact C-N 3.28Å; D228-D230 PolarHBondContact O-N 2.99Å; D228-D230 WeakPolarHBondContact OD1-CB 3.18Å; D228-D230 PolarHBondContact OD1-N 3.29Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-R233 WeakPolarHBondContact O-CB 3.25Å; D230-R233 PolarHBondContact O-N 3.12Å; D230-R233 IonicContact OD1-CZ 3.34Å; D230-R233 IonicContact OD1-NE 3.48Å; D230-R233 IonicContact OD1-NH1 3.52Å; D230-R233 PolarHBondContact OD1-NH1 3.06Å; D230-R233 VanDerWaalsContact OD1-NH1 3.16Å; D230-R233 IonicContact OD1-NH2 2.64Å; D230-R233 PolarHBondContact OD1-NH2 3.39Å; D230-S234 PolarHBondContact O-N 3.1Å
231L72.5Confident72.4Confident39 Ų3965.1 Ų65.120%0.20430%0.301CS..Hα-helixtrans-61.3-42.5171-112.4155.7000111I219 D228 S234I219-L231 HydrophobicContact CB-CD2 4.4Å; I219-L231 HydrophobicContact CG1-CD2 4.42Å; I219-L231 HydrophobicContact CG2-CD2 3.7Å; I219-L231 WeakPolarHBondContact CG2-O 3.26Å; D228-L231 HydrophobicContact CB-CB 3.98Å; D228-L231 HydrophobicContact CB-CD1 4.22Å; D228-L231 PolarHBondContact O-N 3.27Å; D228-L231 PolarHBondContact OD1-N 3.04Å; L231-S234 PolarHBondContact O-N 2.64Å; L231-S234 PolarHBondContact O-OG 3.48Å
232L70.6Confident72.5Confident2 Ų269.5 Ų69.51%0.0133%0.33CS..Hα-helixtrans-62.6-42.1172.4-79.3159000112.1L220 S223 D228 V229 D230 S234 L235 F236 A248 V251 V252L220-L232 HydrophobicContact CD1-CD2 3.58Å; S223-L232 WeakPolarHBondContact OG-CD2 3.44Å; S223-L232 VanDerWaalsContact OG-CG 3.26Å; S223-L232 WeakPolarHBondContact OG-CG 3.2Å; D228-L232 PolarHBondContact O-N 3.35Å; D228-L232 VanDerWaalsContact O-N 3.15Å; V229-L232 PolarHBondContact O-N 3.12Å; D230-L232 VanDerWaalsContact C-N 3.33Å; L232-S234 VanDerWaalsContact C-N 3.3Å; L232-S234 PolarHBondContact O-N 2.71Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 2.68Å; L232-F236 WeakPolarHBondContact O-CD2 3.44Å; L232-F236 PolarHBondContact O-N 3.43Å; L232-A248 HydrophobicContact CD2-CB 4.07Å; L232-V251 HydrophobicContact CD1-CG1 3.96Å; L232-V251 HydrophobicContact CD2-CG1 4.28Å; L232-V252 HydrophobicContact CB-CG2 4.13Å; L232-V252 HydrophobicContact CD1-CG2 3.62Å; L232-V252 HydrophobicContact CD2-CG2 4.45Å; L232-V252 HydrophobicContact CG-CG2 4.24Å
233R68.4Low72.5Confident71 Ų7170.6 Ų70.627%0.26834%0.341SS..Hα-helixtrans-56.4-45.7176.4-177.4-175.766.6-153.4-12.3111.2V229 D230 L235 F236 E237 L278V229-R233 WeakPolarHBondContact O-CB 3.35Å; V229-R233 PolarHBondContact O-N 2.92Å; D230-R233 WeakPolarHBondContact O-CB 3.25Å; D230-R233 PolarHBondContact O-N 3.12Å; D230-R233 IonicContact OD1-CZ 3.34Å; D230-R233 IonicContact OD1-NE 3.48Å; D230-R233 IonicContact OD1-NH1 3.52Å; D230-R233 PolarHBondContact OD1-NH1 3.06Å; D230-R233 VanDerWaalsContact OD1-NH1 3.16Å; D230-R233 IonicContact OD1-NH2 2.64Å; D230-R233 PolarHBondContact OD1-NH2 3.39Å; R233-L235 PolarHBondContact O-N 3.45Å; R233-L235 VanDerWaalsContact O-N 3.11Å; R233-F236 WeakPolarHBondContact O-CB 3.42Å; R233-F236 PolarHBondContact O-N 3.04Å; R233-E237 WeakPolarHBondContact CD-OE1 3.32Å; R233-E237 HydrophobicContact CG-CG 4.38Å; R233-E237 WeakPolarHBondContact CG-OE1 3.46Å; R233-E237 IonicContact NE-OE1 3.61Å; R233-E237 PolarHBondContact O-N 3.4Å; R233-L278 HydrophobicContact CB-CD2 4.5Å; R233-L278 HydrophobicContact CG-CD2 4.23Å
234S75.8Confident72.4Confident34 Ų3471.1 Ų71.124%0.23834%0.344CS..Hα-helixtrans-58.2-27.9178.981.70000113.1D230 L231 L232 R238D230-S234 PolarHBondContact O-N 3.1Å; L231-S234 PolarHBondContact O-N 2.64Å; L231-S234 PolarHBondContact O-OG 3.48Å; L232-S234 VanDerWaalsContact C-N 3.3Å; L232-S234 PolarHBondContact O-N 2.71Å; S234-R238 WeakPolarHBondContact O-CD 3.5Å; S234-R238 VanDerWaalsContact O-CG 3.27Å; S234-R238 WeakPolarHBondContact O-CG 3.45Å; S234-R238 PolarHBondContact O-N 3.06Å
235L75.6Confident72.7Confident0 Ų074.3 Ų74.30%036%0.355CS..Hα-helixtrans-78.1-31.7177.6-167.4141.4000112.7E216 I219 L220 L232 R233 T240 L244 A248E216-L235 HydrophobicContact CB-CD1 4.25Å; E216-L235 WeakPolarHBondContact O-CD1 3.48Å; I219-L235 HydrophobicContact CB-CD1 4.02Å; I219-L235 HydrophobicContact CG2-CB 4.04Å; I219-L235 HydrophobicContact CG2-CD1 3.78Å; L220-L235 HydrophobicContact CB-CD1 3.8Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 2.68Å; R233-L235 PolarHBondContact O-N 3.45Å; R233-L235 VanDerWaalsContact O-N 3.11Å; L235-T240 HydrophobicContact CD2-CG2 4.46Å; L235-T240 HydrophobicContact CG-CG2 4.36Å; L235-T240 WeakPolarHBondContact O-CG2 3.5Å; L235-T240 PolarHBondContact O-OG1 2.89Å; L235-T240 VanDerWaalsContact O-OG1 3.09Å; L235-L244 HydrophobicContact CD1-CD2 4.15Å; L235-L244 HydrophobicContact CD2-CD2 3.98Å; L235-L244 HydrophobicContact CD2-CG 4.11Å; L235-L244 HydrophobicContact CG-CD2 4.32Å; L235-A248 HydrophobicContact CD2-CB 3.95Å
236F70.8Confident72.9Confident13 Ų1374.2 Ų74.26%0.05736%0.357CS..Hα-helixtrans-72.7-38.7174.3-74.3-68.4000112.8L232 R233 R238 R245 A248 R249 V252 L278 F281L232-F236 WeakPolarHBondContact O-CD2 3.44Å; L232-F236 PolarHBondContact O-N 3.43Å; R233-F236 WeakPolarHBondContact O-CB 3.42Å; R233-F236 PolarHBondContact O-N 3.04Å; F236-R238 PolarHBondContact O-N 3.14Å; F236-R245 HydrophobicContact CD1-CB 4.39Å; F236-R245 HydrophobicContact CD1-CG 4Å; F236-R245 HydrophobicContact CE1-CB 4.23Å; F236-R245 HydrophobicContact CE1-CG 4.31Å; F236-R245 WeakPolarHBondContact CE1-O 3.27Å; F236-R245 PolarHBondContact O-NE 3.45Å; F236-R245 PolarHBondContact O-NH2 3.31Å; F236-A248 HydrophobicContact CE1-CB 3.97Å; F236-A248 HydrophobicContact CE2-CB 3.94Å; F236-A248 HydrophobicContact CZ-CB 3.48Å; F236-A248 VanDerWaalsContact CZ-CB 3.48Å; F236-R249 HydrophobicContact CZ-CB 4.3Å; F236-V252 HydrophobicContact CE2-CG2 4.27Å; F236-L278 HydrophobicContact CB-CD1 3.83Å; F236-L278 HydrophobicContact CD2-CD2 4.1Å; F236-L278 HydrophobicContact CG-CD1 4.39Å; F236-F281 HydrophobicContact CD1-CD1 4.23Å; F236-F281 AromaticContact CD1-CE1 4Å; F236-F281 HydrophobicContact CD1-CE1 4Å; F236-F281 AromaticContact CE1-CD1 3.91Å; F236-F281 HydrophobicContact CE1-CD1 3.91Å; F236-F281 AromaticContact CE1-CE1 3.46Å; F236-F281 HydrophobicContact CE1-CE1 3.46Å; F236-F281 VanDerWaalsContact CE1-CE1 3.46Å; F236-F281 HydrophobicContact CE1-CZ 4.47Å; F236-F281 HydrophobicContact CZ-CE1 4.31Å
237E75.3Confident73Confident122 Ų12267.2 Ų67.257%0.5733%0.332SS*.Hα-helixtrans-66.7-26.6178.3-70.6172.1178.800111.9R233R233-E237 WeakPolarHBondContact CD-OE1 3.32Å; R233-E237 HydrophobicContact CG-CG 4.38Å; R233-E237 WeakPolarHBondContact CG-OE1 3.46Å; R233-E237 IonicContact NE-OE1 3.61Å; R233-E237 PolarHBondContact O-N 3.4Å
238R74.9Confident73.3Confident112 Ų11260.3 Ų60.342%0.42331%0.306SS..SBendtrans-71.5148.2171.6-71169.6-174.1-122-0.4111.4S234 F236 T240 R245S234-R238 WeakPolarHBondContact O-CD 3.5Å; S234-R238 VanDerWaalsContact O-CG 3.27Å; S234-R238 WeakPolarHBondContact O-CG 3.45Å; S234-R238 PolarHBondContact O-N 3.06Å; F236-R238 PolarHBondContact O-N 3.14Å; R238-T240 HydrophobicContact CB-CG2 3.9Å; R238-T240 PolarHBondContact O-N 3.26Å; R238-T240 PolarHBondContact O-OG1 2.77Å; R238-R245 PolarHBondContact O-NH2 2.77Å
239Q70.8Confident73.6Confident199 Ų19960.1 Ų60.193%0.9330%0.302SS*.  trans-71.780.9167-73.4-170.92.400109.6
240T73.4Confident74Confident19 Ų1963.3 Ų63.312%0.11731%0.314CS..  trans-99159.6-179.141.50000112.4E216 L235 R238 L244 R245E216-T240 HydrophobicContact CB-CG2 3.96Å; E216-T240 HydrophobicContact CG-CG2 3.65Å; L235-T240 HydrophobicContact CD2-CG2 4.46Å; L235-T240 HydrophobicContact CG-CG2 4.36Å; L235-T240 WeakPolarHBondContact O-CG2 3.5Å; L235-T240 PolarHBondContact O-OG1 2.89Å; L235-T240 VanDerWaalsContact O-OG1 3.09Å; R238-T240 HydrophobicContact CB-CG2 3.9Å; R238-T240 PolarHBondContact O-N 3.26Å; R238-T240 PolarHBondContact O-OG1 2.77Å; T240-L244 HydrophobicContact CG2-CD2 4.1Å; T240-R245 WeakPolarHBondContact OG1-CG 3.4Å
241L74.7Confident74.3Confident124 Ų12459.4 Ų59.465%0.64929%0.293SS*.  trans-54.7137.8174.2-68.9168.6000110.6S243 L244 R245L241-S243 PolarHBondContact O-N 2.94Å; L241-S243 VanDerWaalsContact O-N 3.17Å; L241-L244 HydrophobicContact CB-CB 4.39Å; L241-L244 WeakPolarHBondContact O-CB 3.44Å; L241-L244 PolarHBondContact O-N 3.34Å; L241-R245 PolarHBondContact O-N 3.17Å; L241-R245 VanDerWaalsContact O-N 3.13Å
242P76.6Confident74.4Confident97 Ų9757.8 Ų57.863%0.6329%0.285SS*.Hα-helixtrans-55.1-35.7179.4-27.734.6000113.8L244 R245 N246P242-L244 VanDerWaalsContact C-N 3.34Å; P242-L244 PolarHBondContact O-N 3.14Å; P242-R245 PolarHBondContact O-N 2.85Å; P242-N246 WeakPolarHBondContact O-CB 3.24Å; P242-N246 PolarHBondContact O-N 2.91Å
243S73.2Confident74.7Confident74 Ų7461 Ų6152%0.51730%0.297SS..Hα-helixtrans-60.3-42.4175.153.80000112.1L241 N246 M247L241-S243 PolarHBondContact O-N 2.94Å; L241-S243 VanDerWaalsContact O-N 3.17Å; S243-N246 PolarHBondContact O-N 2.93Å; S243-M247 WeakPolarHBondContact O-CB 3.38Å; S243-M247 PolarHBondContact O-N 2.7Å
244L72.7Confident74.9Confident11 Ų1160.7 Ų60.76%0.05830%0.303CS..Hα-helixtrans-69.8-39.7179.7-160.375.8000111.6L187 E216 Q217 L220 L235 T240 L241 P242 M247 A248L187-L244 HydrophobicContact CD2-CD1 3.47Å; L187-L244 VanDerWaalsContact CD2-CD1 3.47Å; E216-L244 HydrophobicContact CB-CD2 3.53Å; Q217-L244 HydrophobicContact CG-CD1 4.02Å; L220-L244 HydrophobicContact CD2-CD1 3.59Å; L220-L244 HydrophobicContact CD2-CG 4.12Å; L235-L244 HydrophobicContact CD1-CD2 4.15Å; L235-L244 HydrophobicContact CD2-CD2 3.98Å; L235-L244 HydrophobicContact CD2-CG 4.11Å; L235-L244 HydrophobicContact CG-CD2 4.32Å; T240-L244 HydrophobicContact CG2-CD2 4.1Å; L241-L244 HydrophobicContact CB-CB 4.39Å; L241-L244 WeakPolarHBondContact O-CB 3.44Å; L241-L244 PolarHBondContact O-N 3.34Å; P242-L244 VanDerWaalsContact C-N 3.34Å; P242-L244 PolarHBondContact O-N 3.14Å; L244-M247 WeakPolarHBondContact O-CB 3.49Å; L244-M247 PolarHBondContact O-N 3.41Å; L244-A248 WeakPolarHBondContact O-CB 3.37Å; L244-A248 PolarHBondContact O-N 3.01Å
245R76.7Confident74.7Confident84 Ų8460.1 Ų60.132%0.31730%0.297SS..Hα-helixtrans-61.4-43.3172.1-82.1-170.5-178.5164-0.5112.1F236 R238 T240 L241 P242 M247 A248 R249 F281F236-R245 HydrophobicContact CD1-CB 4.39Å; F236-R245 HydrophobicContact CD1-CG 4Å; F236-R245 HydrophobicContact CE1-CB 4.23Å; F236-R245 HydrophobicContact CE1-CG 4.31Å; F236-R245 WeakPolarHBondContact CE1-O 3.27Å; F236-R245 PolarHBondContact O-NE 3.45Å; F236-R245 PolarHBondContact O-NH2 3.31Å; R238-R245 PolarHBondContact O-NH2 2.77Å; T240-R245 WeakPolarHBondContact OG1-CG 3.4Å; L241-R245 PolarHBondContact O-N 3.17Å; L241-R245 VanDerWaalsContact O-N 3.13Å; P242-R245 PolarHBondContact O-N 2.85Å; R245-M247 VanDerWaalsContact C-N 3.31Å; R245-M247 PolarHBondContact O-N 3.4Å; R245-A248 PolarHBondContact O-N 2.96Å; R245-R249 WeakPolarHBondContact O-CB 3.34Å; R245-R249 PolarHBondContact O-N 2.71Å; R245-F281 HydrophobicContact CB-CZ 4.24Å
246N77.6Confident74.5Confident68 Ų6860.4 Ų60.436%0.36430%0.299SS..Hα-helixtrans-63.4-40.1177.5-77.5-22.3000112P242 S243 R249 Q250P242-N246 WeakPolarHBondContact O-CB 3.24Å; P242-N246 PolarHBondContact O-N 2.91Å; S243-N246 PolarHBondContact O-N 2.93Å; N246-R249 WeakPolarHBondContact O-CB 3.47Å; N246-R249 PolarHBondContact O-N 2.92Å; N246-R249 PolarHBondContact OD1-NH2 2.99Å; N246-Q250 PolarHBondContact O-N 3.05Å
247M74.9Confident74.7Confident28 Ų2862.6 Ų62.614%0.13831%0.311CS..Hα-helixtrans-63.7-49.3175.7-160171.6-61.500111.5L187 Q188 I191 L220 S243 L244 R245 R249 Q250 V251L187-M247 HydrophobicContact CD2-CE 4.49Å; L187-M247 HydrophobicContact CD2-SD 3.87Å; L187-M247 HydrophobicContact CG-SD 4.09Å; Q188-M247 HydrophobicContact CB-CE 4.04Å; Q188-M247 HydrophobicContact CG-CE 4.5Å; Q188-M247 VanDerWaalsContact OE1-CG 3.24Å; Q188-M247 PolarHBondContact OE1-SD 3.47Å; I191-M247 HydrophobicContact CD1-CG 3.71Å; I191-M247 HydrophobicContact CD1-SD 3.2Å; I191-M247 WeakPolarHBondContact CD1-SD 3.26Å; I191-M247 HydrophobicContact CG1-SD 4.49Å; I191-M247 HydrophobicContact CG2-CG 4.36Å; L220-M247 HydrophobicContact CD2-CB 4.3Å; L220-M247 HydrophobicContact CD2-CG 4.15Å; L220-M247 HydrophobicContact CD2-SD 4.08Å; S243-M247 WeakPolarHBondContact O-CB 3.38Å; S243-M247 PolarHBondContact O-N 2.7Å; L244-M247 WeakPolarHBondContact O-CB 3.49Å; L244-M247 PolarHBondContact O-N 3.41Å; R245-M247 VanDerWaalsContact C-N 3.31Å; R245-M247 PolarHBondContact O-N 3.4Å; M247-R249 VanDerWaalsContact C-N 3.27Å; M247-R249 PolarHBondContact O-N 3.37Å; M247-Q250 PolarHBondContact O-N 3.46Å; M247-V251 VanDerWaalsContact O-CG2 3.26Å; M247-V251 WeakPolarHBondContact O-CG2 3.34Å; M247-V251 PolarHBondContact O-N 3.4Å
248A76Confident74.5Confident0 Ų060.1 Ų60.10%031%0.307CS..Hα-helixtrans-58.8-38.2174.700000112.2L220 L232 L235 F236 L244 R245 V251 V252L220-A248 HydrophobicContact CD1-CB 3.8Å; L232-A248 HydrophobicContact CD2-CB 4.07Å; L235-A248 HydrophobicContact CD2-CB 3.95Å; F236-A248 HydrophobicContact CE1-CB 3.97Å; F236-A248 HydrophobicContact CE2-CB 3.94Å; F236-A248 HydrophobicContact CZ-CB 3.48Å; F236-A248 VanDerWaalsContact CZ-CB 3.48Å; L244-A248 WeakPolarHBondContact O-CB 3.37Å; L244-A248 PolarHBondContact O-N 3.01Å; R245-A248 PolarHBondContact O-N 2.96Å; A248-V251 WeakPolarHBondContact O-CB 3.45Å; A248-V251 PolarHBondContact O-N 2.99Å; A248-V252 WeakPolarHBondContact O-CG2 3.47Å; A248-V252 PolarHBondContact O-N 3.09Å
249R78.1Confident74.2Confident43 Ų4361.3 Ų61.316%0.16232%0.316CS..Hα-helixtrans-62.3-50.1175.3172.1176.653.4110.3-2.6110.4F236 R245 N246 M247 V251 V252 R253 F281 L282 G285F236-R249 HydrophobicContact CZ-CB 4.3Å; R245-R249 WeakPolarHBondContact O-CB 3.34Å; R245-R249 PolarHBondContact O-N 2.71Å; N246-R249 WeakPolarHBondContact O-CB 3.47Å; N246-R249 PolarHBondContact O-N 2.92Å; N246-R249 PolarHBondContact OD1-NH2 2.99Å; M247-R249 VanDerWaalsContact C-N 3.27Å; M247-R249 PolarHBondContact O-N 3.37Å; R249-V251 VanDerWaalsContact C-N 3.28Å; R249-V251 PolarHBondContact O-N 2.97Å; R249-V252 PolarHBondContact O-N 3.01Å; R249-R253 HydrophobicContact CG-CG 4.43Å; R249-R253 VanDerWaalsContact O-CG 3.32Å; R249-R253 WeakPolarHBondContact O-CG 3.5Å; R249-R253 PolarHBondContact O-N 3.15Å; R249-F281 HydrophobicContact CB-CE1 3.94Å; R249-F281 WeakPolarHBondContact CD-O 3.47Å; R249-F281 HydrophobicContact CG-CE1 4.35Å; R249-L282 HydrophobicContact CG-CD2 4.32Å; R249-G285 WeakPolarHBondContact CD-OXT 3.44Å; R249-G285 VanDerWaalsContact CZ-O 3.24Å; R249-G285 PolarHBondContact NE-OXT 2.99Å; R249-G285 VanDerWaalsContact NH1-C 3.27Å; R249-G285 PolarHBondContact NH1-O 3.36Å; R249-G285 PolarHBondContact NH1-OXT 3.19Å; R249-G285 PolarHBondContact NH2-O 3.29Å
250Q77.6Confident74.1Confident107 Ų10753.9 Ų53.950%0.528%0.284SS..Hα-helixtrans-58.5-42.5176.8-73.4-161.6-9.900111.6N246 M247 V252 R253 T254N246-Q250 PolarHBondContact O-N 3.05Å; M247-Q250 PolarHBondContact O-N 3.46Å; Q250-V252 PolarHBondContact O-N 3.06Å; Q250-R253 PolarHBondContact O-N 3.36Å; Q250-T254 WeakPolarHBondContact O-CB 3.4Å; Q250-T254 PolarHBondContact O-N 2.99Å; Q250-T254 PolarHBondContact O-OG1 2.7Å
251V74.1Confident73.8Confident0 Ų057.9 Ų57.90%032%0.319CS..Hα-helixtrans-54.3-54173.61710000111.9I191 Q195 L220 L224 L232 M247 A248 R249 R253 T254 I255I191-V251 HydrophobicContact CG2-CG2 3.68Å; Q195-V251 VanDerWaalsContact NE2-CA 3.26Å; L220-V251 HydrophobicContact CD1-CG2 4.33Å; L224-V251 HydrophobicContact CD1-CG2 4.3Å; L224-V251 HydrophobicContact CD2-CB 4.25Å; L224-V251 HydrophobicContact CD2-CG1 3.3Å; L224-V251 HydrophobicContact CD2-CG2 3.99Å; L224-V251 HydrophobicContact CG-CG1 3.87Å; L224-V251 HydrophobicContact CG-CG2 4.34Å; L232-V251 HydrophobicContact CD1-CG1 3.96Å; L232-V251 HydrophobicContact CD2-CG1 4.28Å; M247-V251 VanDerWaalsContact O-CG2 3.26Å; M247-V251 WeakPolarHBondContact O-CG2 3.34Å; M247-V251 PolarHBondContact O-N 3.4Å; A248-V251 WeakPolarHBondContact O-CB 3.45Å; A248-V251 PolarHBondContact O-N 2.99Å; R249-V251 VanDerWaalsContact C-N 3.28Å; R249-V251 PolarHBondContact O-N 2.97Å; V251-R253 VanDerWaalsContact C-N 3.32Å; V251-R253 PolarHBondContact O-N 2.96Å; V251-T254 PolarHBondContact O-N 3.37Å; V251-I255 HydrophobicContact CG1-CD1 3.71Å; V251-I255 HydrophobicContact CG1-CG1 4.49Å; V251-I255 WeakPolarHBondContact O-CG1 3.48Å; V251-I255 PolarHBondContact O-N 3.3Å
252V74.5Confident73.2Confident5 Ų554.8 Ų54.83%0.0332%0.317CS..Hα-helixtrans-60.2-44.1-179.9175.60000110.8L232 F236 A248 R249 Q250 I255 C256 L282L232-V252 HydrophobicContact CB-CG2 4.13Å; L232-V252 HydrophobicContact CD1-CG2 3.62Å; L232-V252 HydrophobicContact CD2-CG2 4.45Å; L232-V252 HydrophobicContact CG-CG2 4.24Å; F236-V252 HydrophobicContact CE2-CG2 4.27Å; A248-V252 WeakPolarHBondContact O-CG2 3.47Å; A248-V252 PolarHBondContact O-N 3.09Å; R249-V252 PolarHBondContact O-N 3.01Å; Q250-V252 PolarHBondContact O-N 3.06Å; V252-I255 PolarHBondContact O-N 3.11Å; V252-C256 WeakPolarHBondContact O-CB 3.42Å; V252-C256 PolarHBondContact O-N 3.47Å; V252-C256 PolarHBondContact O-SG 2.98Å; V252-L282 HydrophobicContact CB-CD2 3.72Å; V252-L282 HydrophobicContact CG1-CD1 3.8Å; V252-L282 HydrophobicContact CG1-CD2 3.63Å; V252-L282 HydrophobicContact CG1-CG 4.37Å; V252-L282 HydrophobicContact CG2-CD2 4.24Å
253R76.7Confident72.7Confident70 Ų7054.1 Ų54.126%0.26431%0.311SS..Hα-helixtrans-62.7-46.2-179.7-65.7-169.672.8128.4-8.8111.5R249 Q250 V251 C256 L257 I265 L282 L283R249-R253 HydrophobicContact CG-CG 4.43Å; R249-R253 VanDerWaalsContact O-CG 3.32Å; R249-R253 WeakPolarHBondContact O-CG 3.5Å; R249-R253 PolarHBondContact O-N 3.15Å; Q250-R253 PolarHBondContact O-N 3.36Å; V251-R253 VanDerWaalsContact C-N 3.32Å; V251-R253 PolarHBondContact O-N 2.96Å; R253-C256 PolarHBondContact O-N 3.43Å; R253-L257 VanDerWaalsContact O-CG 3.3Å; R253-L257 WeakPolarHBondContact O-CG 3.46Å; R253-L257 PolarHBondContact O-N 3.43Å; R253-I265 HydrophobicContact CB-CD1 3.84Å; R253-I265 HydrophobicContact CG-CD1 3.46Å; R253-I265 VanDerWaalsContact CG-CD1 3.46Å; R253-L282 PolarHBondContact NH1-O 3.17Å; R253-L283 PolarHBondContact NH1-O 2.91Å; R253-L283 VanDerWaalsContact NH1-O 3.07Å
254T73.3Confident72.8Confident64 Ų6455.7 Ų55.739%0.39332%0.318SS..Hα-helixtrans-61.5-45.3178.2-58.20000111.5Q250 V251 C256 L257 S258Q250-T254 WeakPolarHBondContact O-CB 3.4Å; Q250-T254 PolarHBondContact O-N 2.99Å; Q250-T254 PolarHBondContact O-OG1 2.7Å; V251-T254 PolarHBondContact O-N 3.37Å; T254-C256 PolarHBondContact O-N 3.2Å; T254-L257 PolarHBondContact O-N 3.27Å; T254-S258 PolarHBondContact O-N 3.08Å
255I70.5Confident73.1Confident23 Ų2355.7 Ų55.712%0.11832%0.318CS..Hα-helixtrans-60.2-47.4176.2-69.4170.6000110.2L224 V251 V252 L257 S258 F259L224-I255 HydrophobicContact CD2-CD1 4.49Å; V251-I255 HydrophobicContact CG1-CD1 3.71Å; V251-I255 HydrophobicContact CG1-CG1 4.49Å; V251-I255 WeakPolarHBondContact O-CG1 3.48Å; V251-I255 PolarHBondContact O-N 3.3Å; V252-I255 PolarHBondContact O-N 3.11Å; I255-L257 PolarHBondContact O-N 2.97Å; I255-S258 WeakPolarHBondContact O-CB 3.47Å; I255-S258 PolarHBondContact O-N 3.33Å; I255-S258 PolarHBondContact O-OG 2.86Å; I255-F259 HydrophobicContact CG2-CD2 4.34Å; I255-F259 HydrophobicContact CG2-CE2 3.67Å; I255-F259 WeakPolarHBondContact O-CD2 2.99Å
256C72.5Confident73.3Confident6 Ų656.9 Ų56.94%0.04133%0.327CS..Hα-helixtrans-59.3-47.4178.2-68.20000112.1V252 R253 T254 S258 F259 I265 I268V252-C256 WeakPolarHBondContact O-CB 3.42Å; V252-C256 PolarHBondContact O-N 3.47Å; V252-C256 PolarHBondContact O-SG 2.98Å; R253-C256 PolarHBondContact O-N 3.43Å; T254-C256 PolarHBondContact O-N 3.2Å; C256-S258 PolarHBondContact O-N 3.42Å; C256-F259 PolarHBondContact O-N 3.38Å; C256-F259 VanDerWaalsContact O-N 3.12Å; C256-I265 HydrophobicContact CB-CG1 4.48Å; C256-I268 HydrophobicContact CB-CD1 4.09Å; C256-I268 HydrophobicContact CB-CG2 4.14Å; C256-I268 VanDerWaalsContact O-CD1 3.29Å; C256-I268 WeakPolarHBondContact O-CD1 3.28Å
257L73.7Confident73.4Confident58 Ų5857 Ų5730%0.30433%0.331SS..Hα-helixtrans-63.4-30.7-179.5-71.5168.7000112.9R253 T254 I255 F259 T260 G262 T263 I265R253-L257 VanDerWaalsContact O-CG 3.3Å; R253-L257 WeakPolarHBondContact O-CG 3.46Å; R253-L257 PolarHBondContact O-N 3.43Å; T254-L257 PolarHBondContact O-N 3.27Å; I255-L257 PolarHBondContact O-N 2.97Å; L257-F259 PolarHBondContact O-N 3.39Å; L257-T260 PolarHBondContact O-N 3.08Å; L257-T260 VanDerWaalsContact O-N 3.16Å; L257-G262 PolarHBondContact O-N 3.32Å; L257-T263 WeakPolarHBondContact CD2-O 3.33Å; L257-I265 HydrophobicContact CD2-CB 4.09Å; L257-I265 HydrophobicContact CD2-CG2 4.38Å; L257-I265 HydrophobicContact CG-CB 4.46Å
258S72.1Confident73.5Confident71 Ų7157.3 Ų57.350%0.49733%0.333SS..Hα-helixtrans-63.5-26.2176.778.50000112.8T254 I255 C256T254-S258 PolarHBondContact O-N 3.08Å; I255-S258 WeakPolarHBondContact O-CB 3.47Å; I255-S258 PolarHBondContact O-N 3.33Å; I255-S258 PolarHBondContact O-OG 2.86Å; C256-S258 PolarHBondContact O-N 3.42Å
259F69.2Low73.6Confident137 Ų13757.3 Ų57.360%0.60133%0.333SS*.THydrogen-bonded Turntrans-81.8-10.8177.3-69.1-70.8000114.2I255 C256 L257I255-F259 HydrophobicContact CG2-CD2 4.34Å; I255-F259 HydrophobicContact CG2-CE2 3.67Å; I255-F259 WeakPolarHBondContact O-CD2 2.99Å; C256-F259 PolarHBondContact O-N 3.38Å; C256-F259 VanDerWaalsContact O-N 3.12Å; L257-F259 PolarHBondContact O-N 3.39Å
260T67.3Low73.8Confident42 Ų4259.6 Ų59.626%0.25835%0.347SS..THydrogen-bonded Turntrans-130.223.8-17264.30000114.9L257 G262 T263 I268L257-T260 PolarHBondContact O-N 3.08Å; L257-T260 VanDerWaalsContact O-N 3.16Å; T260-G262 PolarHBondContact O-N 3.32Å; T260-G262 VanDerWaalsContact O-N 3.08Å; T260-T263 WeakPolarHBondContact CB-OG1 3.46Å; T260-T263 PolarHBondContact O-N 2.93Å; T260-T263 VanDerWaalsContact O-N 3.16Å; T260-T263 PolarHBondContact O-OG1 3.44Å; T260-T263 PolarHBondContact OG1-OG1 3.29Å; T260-I268 HydrophobicContact CG2-CD1 3.23Å; T260-I268 HydrophobicContact CG2-CG1 3.68Å; T260-I268 WeakPolarHBondContact OG1-CD1 3.25Å
261A67.7Low73.9Confident104 Ų10463.1 Ų63.186%0.8636%0.361SS*.THydrogen-bonded Turntrans49.735.8179.500000113.2
262G61.9Low73.7Confident59 Ų5964.6 Ų64.661%0.60837%0.368SS*.THydrogen-bonded Turntrans82.87.8175.200000116.7L257 T260L257-G262 PolarHBondContact O-N 3.32Å; T260-G262 PolarHBondContact O-N 3.32Å; T260-G262 VanDerWaalsContact O-N 3.08Å
263T66.6Low73.8Confident83 Ų8369.6 Ų69.651%0.50940%0.401SS..  trans-67.7162.5171.351.40000112.3L257 T260 I265L257-T263 WeakPolarHBondContact CD2-O 3.33Å; T260-T263 WeakPolarHBondContact CB-OG1 3.46Å; T260-T263 PolarHBondContact O-N 2.93Å; T260-T263 VanDerWaalsContact O-N 3.16Å; T260-T263 PolarHBondContact O-OG1 3.44Å; T260-T263 PolarHBondContact OG1-OG1 3.29Å; T263-I265 PolarHBondContact O-N 3.4Å
264T74.8Confident73.6Confident106 Ų10666.9 Ų66.965%0.6539%0.391SS*.  trans-46.2128.7-179.141.40000112Q266 P267T264-Q266 PolarHBondContact O-N 3.02Å; T264-P267 WeakPolarHBondContact O-CD 3.49Å
265I79Confident73.7Confident12 Ų1266.5 Ų66.56%0.06239%0.39CS..SBendtrans-64.8-23.3-178.5157.1175.9000113.2R253 C256 L257 T263 P267 I268 V269R253-I265 HydrophobicContact CB-CD1 3.84Å; R253-I265 HydrophobicContact CG-CD1 3.46Å; R253-I265 VanDerWaalsContact CG-CD1 3.46Å; C256-I265 HydrophobicContact CB-CG1 4.48Å; L257-I265 HydrophobicContact CD2-CB 4.09Å; L257-I265 HydrophobicContact CD2-CG2 4.38Å; L257-I265 HydrophobicContact CG-CB 4.46Å; T263-I265 PolarHBondContact O-N 3.4Å; I265-P267 VanDerWaalsContact C-CD 3.47Å; I265-I268 WeakPolarHBondContact O-CB 3.42Å; I265-I268 PolarHBondContact O-N 2.83Å; I265-I268 VanDerWaalsContact O-N 3.09Å; I265-V269 HydrophobicContact CD1-CG2 3.56Å; I265-V269 HydrophobicContact CG1-CB 4.42Å; I265-V269 HydrophobicContact CG1-CG2 3.33Å; I265-V269 PolarHBondContact O-N 3.18Å; I265-V269 VanDerWaalsContact O-N 3.09Å
266Q81.8Confident74.1Confident109 Ų10970.2 Ų70.251%0.50941%0.41SS..Hα-helixtrans-52-49.1-171.9-168.7-177.3-1.400115.2T264 I268 V269 M270 L283T264-Q266 PolarHBondContact O-N 3.02Å; Q266-I268 PolarHBondContact O-N 3.39Å; Q266-V269 PolarHBondContact O-N 3.34Å; Q266-M270 HydrophobicContact CG-CE 4.44Å; Q266-M270 HydrophobicContact CG-CG 4.43Å; Q266-M270 VanDerWaalsContact O-CG 3.29Å; Q266-M270 WeakPolarHBondContact O-CG 3.49Å; Q266-M270 PolarHBondContact O-N 3.19Å; Q266-L283 HydrophobicContact CB-CD2 4Å; Q266-L283 HydrophobicContact CG-CD1 4.32Å; Q266-L283 HydrophobicContact CG-CD2 4.04Å
267P79.6Confident74.3Confident70 Ų7073.9 Ų73.946%0.45544%0.436SS..Hα-helixtrans-63.6-31.1-178.5-16.731.6000112.5T264 I265 K271T264-P267 WeakPolarHBondContact O-CD 3.49Å; I265-P267 VanDerWaalsContact C-CD 3.47Å; P267-K271 WeakPolarHBondContact O-CG 2.98Å; P267-K271 PolarHBondContact O-N 3.35Å
268I77.1Confident74.1Confident35 Ų3572 Ų7218%0.17943%0.426CS..Hα-helixtrans-72.3-52.2179.2-50.6167000109.2C256 T260 I265 Q266 M270 K271 L272C256-I268 HydrophobicContact CB-CD1 4.09Å; C256-I268 HydrophobicContact CB-CG2 4.14Å; C256-I268 VanDerWaalsContact O-CD1 3.29Å; C256-I268 WeakPolarHBondContact O-CD1 3.28Å; T260-I268 HydrophobicContact CG2-CD1 3.23Å; T260-I268 HydrophobicContact CG2-CG1 3.68Å; T260-I268 WeakPolarHBondContact OG1-CD1 3.25Å; I265-I268 WeakPolarHBondContact O-CB 3.42Å; I265-I268 PolarHBondContact O-N 2.83Å; I265-I268 VanDerWaalsContact O-N 3.09Å; Q266-I268 PolarHBondContact O-N 3.39Å; I268-M270 PolarHBondContact O-N 3.45Å; I268-K271 WeakPolarHBondContact O-CA 3.41Å; I268-K271 PolarHBondContact O-N 2.95Å; I268-L272 PolarHBondContact O-N 3.04Å; I268-L272 VanDerWaalsContact O-N 3.13Å
269V77.7Confident74.6Confident0 Ų070.1 Ų70.10%041%0.409CS..Hα-helixtrans-60.1-37-178.2171.20000111.1I265 Q266 K271 L272 K279 L282 L283I265-V269 HydrophobicContact CD1-CG2 3.56Å; I265-V269 HydrophobicContact CG1-CB 4.42Å; I265-V269 HydrophobicContact CG1-CG2 3.33Å; I265-V269 PolarHBondContact O-N 3.18Å; I265-V269 VanDerWaalsContact O-N 3.09Å; Q266-V269 PolarHBondContact O-N 3.34Å; V269-K271 VanDerWaalsContact C-N 3.26Å; V269-K271 PolarHBondContact O-N 3.48Å; V269-L272 HydrophobicContact CG2-CD1 4.48Å; V269-L272 PolarHBondContact O-N 3.15Å; V269-K279 HydrophobicContact CG1-CB 3.88Å; V269-K279 HydrophobicContact CG1-CG 4.02Å; V269-K279 WeakPolarHBondContact O-CE 3.13Å; V269-L282 HydrophobicContact CG1-CB 4.07Å; V269-L282 HydrophobicContact CG1-CD1 4.21Å; V269-L282 HydrophobicContact CG2-CB 4.34Å; V269-L282 HydrophobicContact CG2-CD1 4.46Å; V269-L283 HydrophobicContact CB-CD2 4.12Å; V269-L283 HydrophobicContact CB-CG 4.43Å; V269-L283 HydrophobicContact CG1-CD1 4.29Å; V269-L283 HydrophobicContact CG1-CD2 4.26Å; V269-L283 HydrophobicContact CG1-CG 4.02Å; V269-L283 HydrophobicContact CG2-CD2 4.38Å
270M81Confident75.1Confident91 Ų9171.6 Ų71.645%0.44841%0.411SS..Hα-helixtrans-66-28.6176.7-67.6-52.1-170.800113.3Q266 I268 K279 L283Q266-M270 HydrophobicContact CG-CE 4.44Å; Q266-M270 HydrophobicContact CG-CG 4.43Å; Q266-M270 VanDerWaalsContact O-CG 3.29Å; Q266-M270 WeakPolarHBondContact O-CG 3.49Å; Q266-M270 PolarHBondContact O-N 3.19Å; I268-M270 PolarHBondContact O-N 3.45Å; M270-K279 PolarHBondContact O-NZ 3.3Å; M270-K279 HydrophobicContact SD-CD 4.12Å; M270-L283 HydrophobicContact CE-CD1 3.44Å; M270-L283 VanDerWaalsContact CE-CD1 3.44Å; M270-L283 HydrophobicContact SD-CD1 4.21Å
271K80Confident75.5Confident181 Ų18172.5 Ų72.579%0.78741%0.411SS*.Hα-helixtrans-85.3-12.6176.6-70.4178.1-178.8-175.30114P267 I268 V269P267-K271 WeakPolarHBondContact O-CG 2.98Å; P267-K271 PolarHBondContact O-N 3.35Å; I268-K271 WeakPolarHBondContact O-CA 3.41Å; I268-K271 PolarHBondContact O-N 2.95Å; V269-K271 VanDerWaalsContact C-N 3.26Å; V269-K271 PolarHBondContact O-N 3.48Å
272L71.5Confident75.8Confident31 Ų3167.7 Ų67.716%0.16237%0.371CS..SBendtrans-67.5139.4177.6-70.4174.6000110.8I268 V269 I274 K279I268-L272 PolarHBondContact O-N 3.04Å; I268-L272 VanDerWaalsContact O-N 3.13Å; V269-L272 HydrophobicContact CG2-CD1 4.48Å; V269-L272 PolarHBondContact O-N 3.15Å; L272-I274 HydrophobicContact CB-CD1 3.84Å; L272-I274 HydrophobicContact CB-CG1 3.79Å; L272-I274 HydrophobicContact CB-CG2 4.42Å; L272-I274 HydrophobicContact CD1-CD1 3.93Å; L272-I274 PolarHBondContact O-N 3.44Å; L272-K279 WeakPolarHBondContact O-CE 3.12Å; L272-K279 PolarHBondContact O-NZ 3.02Å
273P76.6Confident76.7Confident110 Ų11066 Ų6671%0.71435%0.347SS*.SBendtrans-79.259.2177.834.6-35.4000111
274I71.5Confident77.2Confident12 Ų1269.4 Ų69.46%0.06236%0.357CS..SBendtrans-126.8155.6-177.561179.4000111.2V229 L272 L278 K279 L282V229-I274 HydrophobicContact CG1-CG2 4.36Å; L272-I274 HydrophobicContact CB-CD1 3.84Å; L272-I274 HydrophobicContact CB-CG1 3.79Å; L272-I274 HydrophobicContact CB-CG2 4.42Å; L272-I274 HydrophobicContact CD1-CD1 3.93Å; L272-I274 PolarHBondContact O-N 3.44Å; I274-L278 HydrophobicContact CB-CD2 4.38Å; I274-L278 HydrophobicContact CD1-CB 4.38Å; I274-L278 HydrophobicContact CD1-CD2 4.23Å; I274-K279 HydrophobicContact CD1-CG 4.03Å; I274-K279 HydrophobicContact CG1-CG 3.71Å; I274-K279 VanDerWaalsContact O-CE 3.27Å; I274-K279 WeakPolarHBondContact O-CE 3.38Å; I274-L282 HydrophobicContact CD1-CD1 3.5Å; I274-L282 VanDerWaalsContact CD1-CD1 3.5Å
275P75.5Confident76.5Confident57 Ų5766.9 Ų66.937%0.3735%0.352SS..  trans-58.3147.3179.3-23.833.2000113.3S277 L278 K279P275-S277 PolarHBondContact O-N 3.26Å; P275-L278 WeakPolarHBondContact O-CA 3.48Å; P275-L278 VanDerWaalsContact O-CB 3.29Å; P275-L278 WeakPolarHBondContact O-CB 3.49Å; P275-L278 PolarHBondContact O-N 2.92Å; P275-K279 PolarHBondContact O-N 3.38Å
276D79.8Confident76.4Confident100 Ų10069.6 Ų69.654%0.53537%0.367SS..Hα-helixtrans-60.9-30.2-179.3-74.7-24.1000113.5L278 K279 R280D276-L278 VanDerWaalsContact C-N 3.29Å; D276-L278 PolarHBondContact O-N 2.87Å; D276-K279 PolarHBondContact O-N 3.26Å; D276-R280 WeakPolarHBondContact O-CG 3.41Å; D276-R280 PolarHBondContact O-N 3.47Å
277S75.8Confident76.1Confident83 Ų8367.5 Ų67.558%0.5836%0.359SS*.Hα-helixtrans-60.4-41.5171.954.10000111.4P275 F281P275-S277 PolarHBondContact O-N 3.26Å; S277-F281 WeakPolarHBondContact O-CB 3.4Å; S277-F281 PolarHBondContact O-N 2.67Å
278L70.1Confident75.9Confident20 Ų2067.4 Ų67.411%0.10535%0.354CS..Hα-helixtrans-70.9-39.6176-128.699.5000111.3R233 F236 I274 P275 D276 F281 L282R233-L278 HydrophobicContact CB-CD2 4.5Å; R233-L278 HydrophobicContact CG-CD2 4.23Å; F236-L278 HydrophobicContact CB-CD1 3.83Å; F236-L278 HydrophobicContact CD2-CD2 4.1Å; F236-L278 HydrophobicContact CG-CD1 4.39Å; I274-L278 HydrophobicContact CB-CD2 4.38Å; I274-L278 HydrophobicContact CD1-CB 4.38Å; I274-L278 HydrophobicContact CD1-CD2 4.23Å; P275-L278 WeakPolarHBondContact O-CA 3.48Å; P275-L278 VanDerWaalsContact O-CB 3.29Å; P275-L278 WeakPolarHBondContact O-CB 3.49Å; P275-L278 PolarHBondContact O-N 2.92Å; D276-L278 VanDerWaalsContact C-N 3.29Å; D276-L278 PolarHBondContact O-N 2.87Å; L278-F281 PolarHBondContact O-N 3.32Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.11Å
279K81.2Confident75.8Confident30 Ų3069.3 Ų69.313%0.1336%0.364CS..Hα-helixtrans-58.9-48.3173.9-65.2-176.3179.1174.30110.9V269 M270 L272 I274 P275 D276 F281 L282 L283V269-K279 HydrophobicContact CG1-CB 3.88Å; V269-K279 HydrophobicContact CG1-CG 4.02Å; V269-K279 WeakPolarHBondContact O-CE 3.13Å; M270-K279 PolarHBondContact O-NZ 3.3Å; M270-K279 HydrophobicContact SD-CD 4.12Å; L272-K279 WeakPolarHBondContact O-CE 3.12Å; L272-K279 PolarHBondContact O-NZ 3.02Å; I274-K279 HydrophobicContact CD1-CG 4.03Å; I274-K279 HydrophobicContact CG1-CG 3.71Å; I274-K279 VanDerWaalsContact O-CE 3.27Å; I274-K279 WeakPolarHBondContact O-CE 3.38Å; P275-K279 PolarHBondContact O-N 3.38Å; D276-K279 PolarHBondContact O-N 3.26Å; K279-F281 VanDerWaalsContact C-N 3.35Å; K279-F281 PolarHBondContact O-N 3Å; K279-L282 PolarHBondContact O-N 3.23Å; K279-L283 WeakPolarHBondContact O-CB 3.37Å; K279-L283 WeakPolarHBondContact O-CG 3.07Å; K279-L283 PolarHBondContact O-N 3.07Å
280R81.3Confident75.7Confident169 Ų16973.6 Ų73.664%0.63839%0.387SS*.Hα-helixtrans-61.2-43.4175.9-72.5-176.7-136.6163.23.1111.8D276 L282 L283 H284D276-R280 WeakPolarHBondContact O-CG 3.41Å; D276-R280 PolarHBondContact O-N 3.47Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 2.84Å; R280-L283 PolarHBondContact O-N 3.19Å; R280-H284 PolarHBondContact O-N 3.5Å
281F75.2Confident75.3Confident61 Ų6172.5 Ų72.527%0.26838%0.383SS..Hα-helixtrans-61.2-42.1176.5-174-99.3000111.9F236 R245 R249 S277 L278 K279 L283 G285F236-F281 HydrophobicContact CD1-CD1 4.23Å; F236-F281 AromaticContact CD1-CE1 4Å; F236-F281 HydrophobicContact CD1-CE1 4Å; F236-F281 AromaticContact CE1-CD1 3.91Å; F236-F281 HydrophobicContact CE1-CD1 3.91Å; F236-F281 AromaticContact CE1-CE1 3.46Å; F236-F281 HydrophobicContact CE1-CE1 3.46Å; F236-F281 VanDerWaalsContact CE1-CE1 3.46Å; F236-F281 HydrophobicContact CE1-CZ 4.47Å; F236-F281 HydrophobicContact CZ-CE1 4.31Å; R245-F281 HydrophobicContact CB-CZ 4.24Å; R249-F281 HydrophobicContact CB-CE1 3.94Å; R249-F281 WeakPolarHBondContact CD-O 3.47Å; R249-F281 HydrophobicContact CG-CE1 4.35Å; S277-F281 WeakPolarHBondContact O-CB 3.4Å; S277-F281 PolarHBondContact O-N 2.67Å; L278-F281 PolarHBondContact O-N 3.32Å; K279-F281 VanDerWaalsContact C-N 3.35Å; K279-F281 PolarHBondContact O-N 3Å; F281-L283 VanDerWaalsContact C-N 3.29Å; F281-L283 PolarHBondContact O-N 3.36Å; F281-G285 PolarHBondContact O-N 3.49Å; F281-G285 VanDerWaalsContact O-N 3.14Å
282L74.2Confident75Confident2 Ų264.7 Ų64.71%0.0135%0.354CS..Hα-helixtrans-67.6-27.4176.3-72.9174.6000113.1R249 V252 R253 V269 I274 L278 K279 R280R249-L282 HydrophobicContact CG-CD2 4.32Å; V252-L282 HydrophobicContact CB-CD2 3.72Å; V252-L282 HydrophobicContact CG1-CD1 3.8Å; V252-L282 HydrophobicContact CG1-CD2 3.63Å; V252-L282 HydrophobicContact CG1-CG 4.37Å; V252-L282 HydrophobicContact CG2-CD2 4.24Å; R253-L282 PolarHBondContact NH1-O 3.17Å; V269-L282 HydrophobicContact CG1-CB 4.07Å; V269-L282 HydrophobicContact CG1-CD1 4.21Å; V269-L282 HydrophobicContact CG2-CB 4.34Å; V269-L282 HydrophobicContact CG2-CD1 4.46Å; I274-L282 HydrophobicContact CD1-CD1 3.5Å; I274-L282 VanDerWaalsContact CD1-CD1 3.5Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.11Å; K279-L282 PolarHBondContact O-N 3.23Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 2.84Å
283L81.3Confident75.3Confident23 Ų2367.3 Ų67.312%0.1237%0.369CS..Hα-helixtrans-90.3-41.3-178.7-67.8169.9000113.5R253 Q266 V269 M270 K279 R280 F281R253-L283 PolarHBondContact NH1-O 2.91Å; R253-L283 VanDerWaalsContact NH1-O 3.07Å; Q266-L283 HydrophobicContact CB-CD2 4Å; Q266-L283 HydrophobicContact CG-CD1 4.32Å; Q266-L283 HydrophobicContact CG-CD2 4.04Å; V269-L283 HydrophobicContact CB-CD2 4.12Å; V269-L283 HydrophobicContact CB-CG 4.43Å; V269-L283 HydrophobicContact CG1-CD1 4.29Å; V269-L283 HydrophobicContact CG1-CD2 4.26Å; V269-L283 HydrophobicContact CG1-CG 4.02Å; V269-L283 HydrophobicContact CG2-CD2 4.38Å; M270-L283 HydrophobicContact CE-CD1 3.44Å; M270-L283 VanDerWaalsContact CE-CD1 3.44Å; M270-L283 HydrophobicContact SD-CD1 4.21Å; K279-L283 WeakPolarHBondContact O-CB 3.37Å; K279-L283 WeakPolarHBondContact O-CG 3.07Å; K279-L283 PolarHBondContact O-N 3.07Å; R280-L283 PolarHBondContact O-N 3.19Å; F281-L283 VanDerWaalsContact C-N 3.29Å; F281-L283 PolarHBondContact O-N 3.36Å
284H76.9Confident75.2Confident155 Ų15563.8 Ų63.872%0.71834%0.34SS*.Hα-helixtrans-130.8-8.4-162.3-57.4-63.5000115.6R280R280-H284 PolarHBondContact O-N 3.5Å
285G59.2Low75.5Confident53 Ų5368.5 Ų68.555%0.54637%0.366SS..  trans-83.10168.300000111.2R249 F281R249-G285 WeakPolarHBondContact CD-OXT 3.44Å; R249-G285 VanDerWaalsContact CZ-O 3.24Å; R249-G285 PolarHBondContact NE-OXT 2.99Å; R249-G285 VanDerWaalsContact NH1-C 3.27Å; R249-G285 PolarHBondContact NH1-O 3.36Å; R249-G285 PolarHBondContact NH1-OXT 3.19Å; R249-G285 PolarHBondContact NH2-O 3.29Å; F281-G285 PolarHBondContact O-N 3.49Å; F281-G285 VanDerWaalsContact O-N 3.14Å

Retrieved 285 of 285 residues in 349.4 ms (Link to these results)

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