A0A077ZFI1_TRITR Loading...

Tigger transposable element derived 6

AlphaFold DB , UniProt , Accession A0A077ZFI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M38.6Very low63Low244 Ų244144.6 Ų144.6100%1.20267%0.669SS**  0119.60-70.2-178.5177.200109.1K3M1-K3 PolarHBondContact O-N 3.3Å
2A49.4Very low65Low104 Ų104134.1 Ų134.186%0.8662%0.622SS**  trans-70.8120.2177.500000110R4A2-R4 PolarHBondContact O-N 2.86Å; A2-R4 VanDerWaalsContact O-N 3.17Å
3K53.2Low66.8Low206 Ų206131.5 Ų131.590%0.89661%0.607SS**  trans-59.9117.8174.3-82.2-177.9175.5179.20109.1M1 K5M1-K3 PolarHBondContact O-N 3.3Å; K3-K5 PolarHBondContact O-N 3.31Å
4R53.2Low68.6Low245 Ų245125.6 Ų125.693%0.92558%0.58SS**  trans-66.7114.7175.3-163.3173.3167.7-168.5-4.6107.9A2 E6A2-R4 PolarHBondContact O-N 2.86Å; A2-R4 VanDerWaalsContact O-N 3.17Å; R4-E6 PolarHBondContact O-N 3.08Å
5K58Low70.2Confident135 Ų135118.9 Ų118.959%0.58755%0.549SS*.  trans-60.9123.2-177.7-161.4174.2-174.7179.70109.2K3 W7 H35 V36K3-K5 PolarHBondContact O-N 3.31Å; K5-W7 PolarHBondContact O-N 3.23Å; K5-H35 WeakPolarHBondContact CE-O 3.41Å; K5-H35 PolarHBondContact NZ-O 3.19Å; K5-V36 PolarHBondContact NZ-O 3.08Å; K5-V36 VanDerWaalsContact NZ-O 3.07Å
6E60.6Low71.6Confident182 Ų182111.5 Ų111.585%0.8552%0.515SS*.  trans-57.4137.4178.5-73.4-170.913100110.7R4 R8R4-E6 PolarHBondContact O-N 3.08Å; E6-R8 PolarHBondContact O-N 2.94Å
7W62.1Low72.8Confident209 Ų209108.6 Ų108.679%0.79250%0.504SS*.  trans-74.1111.2176.5-174.789.6000109.2K5 E9K5-W7 PolarHBondContact O-N 3.23Å; W7-E9 HydrophobicContact CE3-CB 4.41Å; W7-E9 HydrophobicContact CH2-CB 3.49Å; W7-E9 VanDerWaalsContact CH2-CB 3.49Å; W7-E9 HydrophobicContact CH2-CG 3.64Å; W7-E9 HydrophobicContact CZ2-CB 4.29Å; W7-E9 HydrophobicContact CZ2-CG 4.29Å; W7-E9 HydrophobicContact CZ3-CB 3.57Å; W7-E9 HydrophobicContact CZ3-CG 4.24Å
8R70.6Confident74Confident130 Ų130102.6 Ų102.649%0.49148%0.476SS..  trans-103119.4174.5-177.6179.5171.3178.31.8110.2E6 L10 E14E6-R8 PolarHBondContact O-N 2.94Å; R8-L10 PolarHBondContact O-N 3.27Å; R8-E14 IonicContact CZ-OE1 3.66Å; R8-E14 IonicContact NE-OE1 2.64Å; R8-E14 IonicContact NH2-OE1 3.55Å; R8-E14 PolarHBondContact NH2-OE1 3.32Å
9E77Confident75.1Confident93 Ų9397.5 Ų97.544%0.43545%0.453SS..  trans-80115.1168.4-157.7169.9-179.100110W7W7-E9 HydrophobicContact CE3-CB 4.41Å; W7-E9 HydrophobicContact CH2-CB 3.49Å; W7-E9 VanDerWaalsContact CH2-CB 3.49Å; W7-E9 HydrophobicContact CH2-CG 3.64Å; W7-E9 HydrophobicContact CZ2-CB 4.29Å; W7-E9 HydrophobicContact CZ2-CG 4.29Å; W7-E9 HydrophobicContact CZ3-CB 3.57Å; W7-E9 HydrophobicContact CZ3-CG 4.24Å
10L84Confident76.1Confident9 Ų999.5 Ų99.55%0.04746%0.456CS..  trans-70.7134.2174.2-65.6174.6000110.9R8 E14 K15 L18 V36 I44R8-L10 PolarHBondContact O-N 3.27Å; L10-E14 WeakPolarHBondContact CA-OE2 3.47Å; L10-E14 HydrophobicContact CB-CB 4.08Å; L10-E14 HydrophobicContact CD2-CB 4.04Å; L10-K15 HydrophobicContact CB-CG 3.83Å; L10-K15 WeakPolarHBondContact O-CE 3.27Å; L10-K15 PolarHBondContact O-NZ 3.43Å; L10-L18 HydrophobicContact CD1-CD1 3.6Å; L10-V36 HydrophobicContact CD1-CG1 3.76Å; L10-V36 HydrophobicContact CD2-CG1 4.29Å; L10-V36 HydrophobicContact CG-CG1 4.08Å; L10-I44 HydrophobicContact CD1-CD1 3.77Å
11A86.4Confident77Confident34 Ų3496.1 Ų96.128%0.28144%0.44SS..  trans-63.3162.4169.800000111.3K13 E14 K15A11-K13 VanDerWaalsContact C-N 3.29Å; A11-K13 PolarHBondContact O-N 3.39Å; A11-E14 HydrophobicContact CB-CG 4.21Å; A11-E14 WeakPolarHBondContact CB-OE2 3.35Å; A11-E14 PolarHBondContact N-OE2 3.37Å; A11-E14 PolarHBondContact O-N 2.99Å; A11-K15 WeakPolarHBondContact O-CG 3.46Å; A11-K15 PolarHBondContact O-N 3.41Å
12L86.7Confident79.7Confident18 Ų1885.4 Ų85.49%0.09439%0.388CS..Hα-helixtrans-57.8-44.1-178.8-176.563.7000111.5K15 V16 Y51 R54 Y55 E58L12-K15 WeakPolarHBondContact O-CB 3.07Å; L12-K15 PolarHBondContact O-N 3.03Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.16Å; L12-Y51 HydrophobicContact CD1-CD1 3.8Å; L12-Y51 HydrophobicContact CD1-CG 4.46Å; L12-R54 HydrophobicContact CD2-CB 4.35Å; L12-R54 HydrophobicContact CD2-CG 3.9Å; L12-Y55 HydrophobicContact CD2-CD2 4.3Å; L12-Y55 HydrophobicContact CG-CD2 4.12Å; L12-E58 WeakPolarHBondContact CD2-OE2 3.48Å
13K89.4Confident81.8Confident100 Ų10086.4 Ų86.444%0.43537%0.374SS..Hα-helixtrans-56.4-50.8174.3-173.5173.1-178.3174.20112.1A11 K15 V16 D17 Y55A11-K13 VanDerWaalsContact C-N 3.29Å; A11-K13 PolarHBondContact O-N 3.39Å; K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 PolarHBondContact O-N 3.41Å; K13-V16 PolarHBondContact O-N 3.29Å; K13-D17 PolarHBondContact O-N 3.09Å; K13-Y55 HydrophobicContact CB-CE2 3.92Å; K13-Y55 HydrophobicContact CG-CE2 4.08Å
14E90.9Very high83.8Confident50 Ų5082.1 Ų82.123%0.23437%0.366CS..Hα-helixtrans-61.1-34.1178.3-62.9178.8112.500112.6R8 L10 A11 L18R8-E14 IonicContact CZ-OE1 3.66Å; R8-E14 IonicContact NE-OE1 2.64Å; R8-E14 IonicContact NH2-OE1 3.55Å; R8-E14 PolarHBondContact NH2-OE1 3.32Å; L10-E14 WeakPolarHBondContact CA-OE2 3.47Å; L10-E14 HydrophobicContact CB-CB 4.08Å; L10-E14 HydrophobicContact CD2-CB 4.04Å; A11-E14 HydrophobicContact CB-CG 4.21Å; A11-E14 WeakPolarHBondContact CB-OE2 3.35Å; A11-E14 PolarHBondContact N-OE2 3.37Å; A11-E14 PolarHBondContact O-N 2.99Å; E14-L18 WeakPolarHBondContact O-CB 3.33Å; E14-L18 PolarHBondContact O-N 3.35Å
15K92.5Very high85.7Confident25 Ų2572 Ų7211%0.10933%0.33CS..Hα-helixtrans-68-39.5174.3-69.3175.7178.3165.10112L10 A11 L12 K13 L18 I19 I44 Y51L10-K15 HydrophobicContact CB-CG 3.83Å; L10-K15 WeakPolarHBondContact O-CE 3.27Å; L10-K15 PolarHBondContact O-NZ 3.43Å; A11-K15 WeakPolarHBondContact O-CG 3.46Å; A11-K15 PolarHBondContact O-N 3.41Å; L12-K15 WeakPolarHBondContact O-CB 3.07Å; L12-K15 PolarHBondContact O-N 3.03Å; K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 PolarHBondContact O-N 3.41Å; K15-L18 PolarHBondContact O-N 2.95Å; K15-I19 WeakPolarHBondContact O-CD1 3.36Å; K15-I19 VanDerWaalsContact O-CG1 3.24Å; K15-I19 WeakPolarHBondContact O-CG1 3.39Å; K15-I19 PolarHBondContact O-N 3.26Å; K15-I44 HydrophobicContact CB-CG2 4.31Å; K15-I44 HydrophobicContact CG-CD1 4.08Å; K15-I44 HydrophobicContact CG-CG1 4.47Å; K15-Y51 HydrophobicContact CB-CG 4.49Å; K15-Y51 HydrophobicContact CD-CD1 4.13Å; K15-Y51 HydrophobicContact CD-CD2 4.46Å; K15-Y51 HydrophobicContact CD-CE1 3.79Å; K15-Y51 HydrophobicContact CD-CE2 4.09Å; K15-Y51 HydrophobicContact CD-CG 4.49Å
16V92.7Very high87.4Confident0 Ų069 Ų690%033%0.326CS..Hα-helixtrans-67.8-42.8175.8172.40000110.9L12 K13 L18 I19 R20 L52 Y55L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.16Å; K13-V16 PolarHBondContact O-N 3.29Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 3.48Å; V16-I19 WeakPolarHBondContact O-CB 3.46Å; V16-I19 PolarHBondContact O-N 2.95Å; V16-R20 WeakPolarHBondContact O-CG 3.44Å; V16-R20 PolarHBondContact O-N 2.97Å; V16-L52 HydrophobicContact CG1-CD2 3.95Å; V16-L52 HydrophobicContact CG2-CD2 4.36Å; V16-Y55 HydrophobicContact CB-CD2 4.41Å; V16-Y55 HydrophobicContact CB-CG 4.41Å; V16-Y55 HydrophobicContact CG1-CD1 4.32Å; V16-Y55 HydrophobicContact CG1-CG 4.46Å; V16-Y55 HydrophobicContact CG2-CD1 4.4Å; V16-Y55 HydrophobicContact CG2-CD2 3.9Å; V16-Y55 HydrophobicContact CG2-CG 3.75Å
17D93.1Very high89Confident63 Ų6363.5 Ų63.534%0.33730%0.3SS..Hα-helixtrans-61.3-40.1174.3-65.9-25.9000111.3K13 R20 F21 F34K13-D17 PolarHBondContact O-N 3.09Å; D17-R20 PolarHBondContact O-N 3.35Å; D17-F21 WeakPolarHBondContact O-CB 3.34Å; D17-F21 PolarHBondContact O-N 2.86Å; D17-F34 HydrophobicContact CB-CE1 4.06Å; D17-F34 HydrophobicContact CB-CZ 4.11Å
18L94.6Very high90.4Very high0 Ų062 Ų620%030%0.295CS..Hα-helixtrans-62.5-44.2174-173.5159.6000111.6L10 E14 K15 V16 F21 L22 T30 F34 V36 V41 I44L10-L18 HydrophobicContact CD1-CD1 3.6Å; E14-L18 WeakPolarHBondContact O-CB 3.33Å; E14-L18 PolarHBondContact O-N 3.35Å; K15-L18 PolarHBondContact O-N 2.95Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 3.48Å; L18-F21 PolarHBondContact O-N 3.21Å; L18-L22 VanDerWaalsContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.5Å; L18-L22 PolarHBondContact O-N 3.29Å; L18-T30 HydrophobicContact CD1-CG2 4.42Å; L18-T30 HydrophobicContact CD2-CG2 3.81Å; L18-T30 HydrophobicContact CG-CG2 3.66Å; L18-F34 HydrophobicContact CB-CD1 4Å; L18-F34 HydrophobicContact CB-CD2 4.15Å; L18-F34 HydrophobicContact CB-CE1 3.87Å; L18-F34 HydrophobicContact CB-CE2 4.05Å; L18-F34 HydrophobicContact CB-CG 4.14Å; L18-F34 HydrophobicContact CB-CZ 3.91Å; L18-F34 HydrophobicContact CD1-CB 3.93Å; L18-F34 HydrophobicContact CD1-CD1 4.28Å; L18-F34 HydrophobicContact CD1-CD2 4.23Å; L18-F34 HydrophobicContact CD1-CG 3.88Å; L18-F34 HydrophobicContact CG-CD1 4.42Å; L18-F34 HydrophobicContact CG-CD2 3.97Å; L18-F34 HydrophobicContact CG-CE2 4.25Å; L18-F34 HydrophobicContact CG-CG 4.07Å; L18-V36 HydrophobicContact CD1-CG2 4.1Å; L18-V41 HydrophobicContact CD1-CG2 4.49Å; L18-V41 HydrophobicContact CD2-CG1 4.19Å; L18-I44 HydrophobicContact CD1-CD1 3.88Å; L18-I44 HydrophobicContact CD2-CB 4.33Å; L18-I44 HydrophobicContact CD2-CD1 4.47Å; L18-I44 HydrophobicContact CD2-CG2 4Å
19I95.1Very high91.5Very high5 Ų561 Ų613%0.02629%0.294CS..Hα-helixtrans-59.8-49176.1-73.6161.8000110.7K15 V16 F21 L22 E23 I44 K48 Y51K15-I19 WeakPolarHBondContact O-CD1 3.36Å; K15-I19 VanDerWaalsContact O-CG1 3.24Å; K15-I19 WeakPolarHBondContact O-CG1 3.39Å; K15-I19 PolarHBondContact O-N 3.26Å; V16-I19 WeakPolarHBondContact O-CB 3.46Å; V16-I19 PolarHBondContact O-N 2.95Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 3.4Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 3.23Å; I19-E23 PolarHBondContact O-N 2.94Å; I19-I44 HydrophobicContact CD1-CG2 4.05Å; I19-I44 HydrophobicContact CG1-CG2 3.82Å; I19-K48 HydrophobicContact CD1-CB 4.35Å; I19-K48 HydrophobicContact CD1-CG 4.35Å; I19-K48 HydrophobicContact CG2-CD 3.87Å; I19-K48 HydrophobicContact CG2-CG 3.72Å; I19-Y51 HydrophobicContact CD1-CD2 4.08Å; I19-Y51 HydrophobicContact CD1-CG 4.46Å
20R94.2Very high92.3Very high138 Ų13856.5 Ų56.552%0.52127%0.273SS..Hα-helixtrans-62.8-39.8179.3-70.6174.1177.2-170.9-3.2111.6V16 D17 L22 E23V16-R20 WeakPolarHBondContact O-CG 3.44Å; V16-R20 PolarHBondContact O-N 2.97Å; D17-R20 PolarHBondContact O-N 3.35Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-E23 PolarHBondContact O-N 2.9Å
21F95.6Very high92.8Very high28 Ų2856.6 Ų56.612%0.12328%0.275CS..Hα-helixtrans-67.9-35.7176.8-171.6-111.2000112.6D17 L18 I19 E23 T24 N25 K29 T30 R33 F34D17-F21 WeakPolarHBondContact O-CB 3.34Å; D17-F21 PolarHBondContact O-N 2.86Å; L18-F21 PolarHBondContact O-N 3.21Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 3.4Å; F21-E23 VanDerWaalsContact C-N 3.26Å; F21-E23 PolarHBondContact O-N 3.46Å; F21-T24 PolarHBondContact O-N 3.39Å; F21-T24 PolarHBondContact O-OG1 2.92Å; F21-N25 HydrophobicContact CD1-CB 4.12Å; F21-N25 VanDerWaalsContact CD2-ND2 3.35Å; F21-N25 WeakPolarHBondContact CD2-ND2 3.5Å; F21-N25 HydrophobicContact CE1-CB 3.75Å; F21-N25 HydrophobicContact CE2-CB 4.29Å; F21-N25 VanDerWaalsContact CE2-CG 3.48Å; F21-N25 WeakPolarHBondContact CE2-ND2 3.27Å; F21-N25 HydrophobicContact CZ-CB 3.86Å; F21-N25 WeakPolarHBondContact CZ-ND2 3.36Å; F21-N25 WeakPolarHBondContact O-CB 3.49Å; F21-N25 PolarHBondContact O-N 3.38Å; F21-N25 VanDerWaalsContact O-N 3.08Å; F21-N25 PolarHBondContact O-ND2 3.02Å; F21-N25 VanDerWaalsContact O-ND2 3.08Å; F21-K29 HydrophobicContact CE1-CG 4.31Å; F21-K29 HydrophobicContact CZ-CG 4.3Å; F21-T30 HydrophobicContact CD1-CG2 4.15Å; F21-R33 HydrophobicContact CE1-CB 3.97Å; F21-R33 HydrophobicContact CE1-CG 4.35Å; F21-R33 HydrophobicContact CZ-CB 4.49Å; F21-R33 VanDerWaalsContact CZ-CD 3.47Å; F21-F34 HydrophobicContact CB-CE2 3.85Å; F21-F34 HydrophobicContact CB-CZ 4.27Å; F21-F34 HydrophobicContact CD1-CD2 4.5Å; F21-F34 AromaticContact CD1-CE2 3.87Å; F21-F34 HydrophobicContact CD1-CE2 3.87Å; F21-F34 HydrophobicContact CG-CE2 4.05Å
22L95.4Very high93.1Very high20 Ų2060.4 Ų60.411%0.10529%0.287CS..Hα-helixtrans-68.7-21.5179-17463.9000113.2L18 I19 R20 T24 N25 Q27 T30 V41 Q45L18-L22 VanDerWaalsContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.5Å; L18-L22 PolarHBondContact O-N 3.29Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 3.23Å; R20-L22 VanDerWaalsContact C-N 3.34Å; L22-T24 VanDerWaalsContact C-N 3.26Å; L22-T24 PolarHBondContact O-N 3.43Å; L22-N25 VanDerWaalsContact O-O 3.05Å; L22-Q27 HydrophobicContact CD1-CB 4.35Å; L22-Q27 HydrophobicContact CD1-CG 3.77Å; L22-T30 HydrophobicContact CB-CG2 4.28Å; L22-T30 HydrophobicContact CD1-CG2 4.27Å; L22-T30 WeakPolarHBondContact CD1-OG1 3.5Å; L22-V41 HydrophobicContact CD1-CG1 3.79Å; L22-V41 HydrophobicContact CD2-CG1 3.72Å; L22-V41 HydrophobicContact CG-CG1 4.37Å; L22-Q45 HydrophobicContact CD2-CB 3.71Å; L22-Q45 HydrophobicContact CD2-CG 3.72Å
23E93.1Very high93.4Very high124 Ų12467 Ų6758%0.57931%0.311SS*.Hα-helixtrans-66.9-28.1175.5-70.8175.1164.700112.7I19 R20 F21 K48I19-E23 PolarHBondContact O-N 2.94Å; R20-E23 PolarHBondContact O-N 2.9Å; F21-E23 VanDerWaalsContact C-N 3.26Å; F21-E23 PolarHBondContact O-N 3.46Å; E23-K48 WeakPolarHBondContact OE1-CE 3.47Å; E23-K48 IonicContact OE1-NZ 3.3Å; E23-K48 PolarHBondContact OE1-NZ 3.35Å
24T94.3Very high93.5Very high117 Ų11763.6 Ų63.672%0.71830%0.296SS*.Hα-helixtrans-112.4-10-17750.30000113.5F21 L22F21-T24 PolarHBondContact O-N 3.39Å; F21-T24 PolarHBondContact O-OG1 2.92Å; L22-T24 VanDerWaalsContact C-N 3.26Å; L22-T24 PolarHBondContact O-N 3.43Å
25N94.4Very high93.5Very high32 Ų3267.2 Ų67.217%0.17131%0.313CS..SBendtrans-132154.8-173.9-64.7-95.5000111.9F21 L22 K29F21-N25 HydrophobicContact CD1-CB 4.12Å; F21-N25 VanDerWaalsContact CD2-ND2 3.35Å; F21-N25 WeakPolarHBondContact CD2-ND2 3.5Å; F21-N25 HydrophobicContact CE1-CB 3.75Å; F21-N25 HydrophobicContact CE2-CB 4.29Å; F21-N25 VanDerWaalsContact CE2-CG 3.48Å; F21-N25 WeakPolarHBondContact CE2-ND2 3.27Å; F21-N25 HydrophobicContact CZ-CB 3.86Å; F21-N25 WeakPolarHBondContact CZ-ND2 3.36Å; F21-N25 WeakPolarHBondContact O-CB 3.49Å; F21-N25 PolarHBondContact O-N 3.38Å; F21-N25 VanDerWaalsContact O-N 3.08Å; F21-N25 PolarHBondContact O-ND2 3.02Å; F21-N25 VanDerWaalsContact O-ND2 3.08Å; L22-N25 VanDerWaalsContact O-O 3.05Å; N25-K29 HydrophobicContact CB-CB 4.44Å; N25-K29 HydrophobicContact CB-CD 4.23Å; N25-K29 VanDerWaalsContact OD1-CD 3.3Å; N25-K29 WeakPolarHBondContact OD1-CD 3.49Å; N25-K29 VanDerWaalsContact OD1-CE 3.27Å; N25-K29 WeakPolarHBondContact OD1-CE 3.1Å; N25-K29 PolarHBondContact OD1-NZ 3.37Å
26S93.4Very high93.4Very high73 Ų7366.6 Ų66.651%0.5131%0.311SS..  trans-65.2156.6177.874.40000112.4R28 K29 T30S26-R28 PolarHBondContact O-N 2.61Å; S26-K29 PolarHBondContact O-N 3.11Å; S26-K29 PolarHBondContact OG-N 3.28Å; S26-T30 WeakPolarHBondContact O-CB 3.16Å; S26-T30 PolarHBondContact O-N 3.38Å; S26-T30 PolarHBondContact O-OG1 3.45Å
27Q93.1Very high93.3Very high65 Ų6569.1 Ų69.130%0.30433%0.328SS..Hα-helixtrans-56.7-32.7174.7-75.4-176.1-17.600112.8L22 A31 K38 V41L22-Q27 HydrophobicContact CD1-CB 4.35Å; L22-Q27 HydrophobicContact CD1-CG 3.77Å; Q27-A31 WeakPolarHBondContact O-CB 3.21Å; Q27-A31 PolarHBondContact O-N 3.07Å; Q27-K38 HydrophobicContact CB-CG 4.03Å; Q27-K38 VanDerWaalsContact OE1-CE 3.22Å; Q27-V41 HydrophobicContact CB-CG1 4.33Å; Q27-V41 HydrophobicContact CG-CG1 4.09Å
28R92.4Very high93.2Very high177 Ų17772 Ų7267%0.66834%0.338SS*.Hα-helixtrans-66.5-52.2177.7-178.8177.2177.91660.9110.9S26 T30 A31 E32S26-R28 PolarHBondContact O-N 2.61Å; R28-T30 VanDerWaalsContact C-N 3.27Å; R28-T30 PolarHBondContact O-N 3.2Å; R28-A31 PolarHBondContact O-N 3.19Å; R28-A31 VanDerWaalsContact O-N 3.16Å; R28-E32 WeakPolarHBondContact CG-OE1 3.4Å; R28-E32 IonicContact NE-OE1 3.74Å; R28-E32 PolarHBondContact NE-OE1 3Å; R28-E32 WeakPolarHBondContact O-CG 3.32Å; R28-E32 PolarHBondContact O-N 3Å
29K93.9Very high93.1Very high109 Ų10976.7 Ų76.747%0.47437%0.367SS..Hα-helixtrans-62.2-36.6178.7-169.7172.4176.3-163.70111.9F21 N25 S26 R33F21-K29 HydrophobicContact CE1-CG 4.31Å; F21-K29 HydrophobicContact CZ-CG 4.3Å; N25-K29 HydrophobicContact CB-CB 4.44Å; N25-K29 HydrophobicContact CB-CD 4.23Å; N25-K29 VanDerWaalsContact OD1-CD 3.3Å; N25-K29 WeakPolarHBondContact OD1-CD 3.49Å; N25-K29 VanDerWaalsContact OD1-CE 3.27Å; N25-K29 WeakPolarHBondContact OD1-CE 3.1Å; N25-K29 PolarHBondContact OD1-NZ 3.37Å; S26-K29 PolarHBondContact O-N 3.11Å; S26-K29 PolarHBondContact OG-N 3.28Å; K29-R33 WeakPolarHBondContact O-CB 3.4Å; K29-R33 PolarHBondContact O-N 3.11Å
30T94.4Very high92.9Very high0 Ų078.8 Ų78.80%038%0.38CS..Hα-helixtrans-65.3-45.5174.1-57.20000111.9L18 F21 L22 S26 R28 E32 R33 F34 V41L18-T30 HydrophobicContact CD1-CG2 4.42Å; L18-T30 HydrophobicContact CD2-CG2 3.81Å; L18-T30 HydrophobicContact CG-CG2 3.66Å; F21-T30 HydrophobicContact CD1-CG2 4.15Å; L22-T30 HydrophobicContact CB-CG2 4.28Å; L22-T30 HydrophobicContact CD1-CG2 4.27Å; L22-T30 WeakPolarHBondContact CD1-OG1 3.5Å; S26-T30 WeakPolarHBondContact O-CB 3.16Å; S26-T30 PolarHBondContact O-N 3.38Å; S26-T30 PolarHBondContact O-OG1 3.45Å; R28-T30 VanDerWaalsContact C-N 3.27Å; R28-T30 PolarHBondContact O-N 3.2Å; T30-E32 VanDerWaalsContact C-N 3.3Å; T30-E32 PolarHBondContact O-N 3.16Å; T30-R33 PolarHBondContact O-N 2.95Å; T30-F34 HydrophobicContact CG2-CD2 4.07Å; T30-F34 HydrophobicContact CG2-CE2 4.41Å; T30-F34 WeakPolarHBondContact O-CD2 3.31Å; T30-F34 PolarHBondContact O-N 3.24Å; T30-F34 VanDerWaalsContact O-N 3.09Å; T30-V41 HydrophobicContact CG2-CG1 3.94Å; T30-V41 HydrophobicContact CG2-CG2 4.05Å
31A93.2Very high92.9Very high11 Ų1172.2 Ų72.29%0.09136%0.355CS..Hα-helixtrans-62.5-39178.300000112.2Q27 R28 H35 V36 V41Q27-A31 WeakPolarHBondContact O-CB 3.21Å; Q27-A31 PolarHBondContact O-N 3.07Å; R28-A31 PolarHBondContact O-N 3.19Å; R28-A31 VanDerWaalsContact O-N 3.16Å; A31-H35 WeakPolarHBondContact O-CA 3.46Å; A31-H35 PolarHBondContact O-N 3.36Å; A31-H35 VanDerWaalsContact O-N 3.16Å; A31-V36 PolarHBondContact O-N 3.46Å; A31-V41 HydrophobicContact CB-CG2 3.85Å
32E92.1Very high92.8Very high114 Ų11471.8 Ų71.853%0.53336%0.359SS..Hα-helixtrans-64.5-51.1175.2-72166.2-168.500111.1R28 T30 F34 H35R28-E32 WeakPolarHBondContact CG-OE1 3.4Å; R28-E32 IonicContact NE-OE1 3.74Å; R28-E32 PolarHBondContact NE-OE1 3Å; R28-E32 WeakPolarHBondContact O-CG 3.32Å; R28-E32 PolarHBondContact O-N 3Å; T30-E32 VanDerWaalsContact C-N 3.3Å; T30-E32 PolarHBondContact O-N 3.16Å; E32-F34 PolarHBondContact O-N 2.78Å; E32-H35 PolarHBondContact O-N 3.01Å
33R93.3Very high92.8Very high155 Ų15575 Ų7559%0.58538%0.376SS*.Hα-helixtrans-59.8-42.3-178.7-177.3173.8-177173.13113.7F21 K29 T30 H35F21-R33 HydrophobicContact CE1-CB 3.97Å; F21-R33 HydrophobicContact CE1-CG 4.35Å; F21-R33 HydrophobicContact CZ-CB 4.49Å; F21-R33 VanDerWaalsContact CZ-CD 3.47Å; K29-R33 WeakPolarHBondContact O-CB 3.4Å; K29-R33 PolarHBondContact O-N 3.11Å; T30-R33 PolarHBondContact O-N 2.95Å; R33-H35 VanDerWaalsContact C-N 3.33Å
34F92.1Very high92.8Very high29 Ų2969.4 Ų69.413%0.12735%0.35CS..THydrogen-bonded Turntrans-92.75.2-177.4-71.3-92.9000113D17 L18 F21 T30 E32 V36D17-F34 HydrophobicContact CB-CE1 4.06Å; D17-F34 HydrophobicContact CB-CZ 4.11Å; L18-F34 HydrophobicContact CB-CD1 4Å; L18-F34 HydrophobicContact CB-CD2 4.15Å; L18-F34 HydrophobicContact CB-CE1 3.87Å; L18-F34 HydrophobicContact CB-CE2 4.05Å; L18-F34 HydrophobicContact CB-CG 4.14Å; L18-F34 HydrophobicContact CB-CZ 3.91Å; L18-F34 HydrophobicContact CD1-CB 3.93Å; L18-F34 HydrophobicContact CD1-CD1 4.28Å; L18-F34 HydrophobicContact CD1-CD2 4.23Å; L18-F34 HydrophobicContact CD1-CG 3.88Å; L18-F34 HydrophobicContact CG-CD1 4.42Å; L18-F34 HydrophobicContact CG-CD2 3.97Å; L18-F34 HydrophobicContact CG-CE2 4.25Å; L18-F34 HydrophobicContact CG-CG 4.07Å; F21-F34 HydrophobicContact CB-CE2 3.85Å; F21-F34 HydrophobicContact CB-CZ 4.27Å; F21-F34 HydrophobicContact CD1-CD2 4.5Å; F21-F34 AromaticContact CD1-CE2 3.87Å; F21-F34 HydrophobicContact CD1-CE2 3.87Å; F21-F34 HydrophobicContact CG-CE2 4.05Å; T30-F34 HydrophobicContact CG2-CD2 4.07Å; T30-F34 HydrophobicContact CG2-CE2 4.41Å; T30-F34 WeakPolarHBondContact O-CD2 3.31Å; T30-F34 PolarHBondContact O-N 3.24Å; T30-F34 VanDerWaalsContact O-N 3.09Å; E32-F34 PolarHBondContact O-N 2.78Å; F34-V36 HydrophobicContact CB-CG2 4.12Å; F34-V36 PolarHBondContact O-N 2.9Å
35H90.8Very high92.8Very high127 Ų12768 Ų6859%0.58834%0.335SS*.THydrogen-bonded Turntrans52.634-176.7-54.6-72.7000114.2K5 A31 E32 R33K5-H35 WeakPolarHBondContact CE-O 3.41Å; K5-H35 PolarHBondContact NZ-O 3.19Å; A31-H35 WeakPolarHBondContact O-CA 3.46Å; A31-H35 PolarHBondContact O-N 3.36Å; A31-H35 VanDerWaalsContact O-N 3.16Å; E32-H35 PolarHBondContact O-N 3.01Å; R33-H35 VanDerWaalsContact C-N 3.33Å
36V90.7Very high92.8Very high11 Ų1176.7 Ų76.77%0.06737%0.365CS..  trans-108.3178.2178-66.20000111.6K5 L10 L18 A31 F34 T40 V41K5-V36 PolarHBondContact NZ-O 3.08Å; K5-V36 VanDerWaalsContact NZ-O 3.07Å; L10-V36 HydrophobicContact CD1-CG1 3.76Å; L10-V36 HydrophobicContact CD2-CG1 4.29Å; L10-V36 HydrophobicContact CG-CG1 4.08Å; L18-V36 HydrophobicContact CD1-CG2 4.1Å; A31-V36 PolarHBondContact O-N 3.46Å; F34-V36 HydrophobicContact CB-CG2 4.12Å; F34-V36 PolarHBondContact O-N 2.9Å; V36-T40 HydrophobicContact CB-CG2 3.98Å; V36-T40 HydrophobicContact CG1-CG2 4.13Å; V36-T40 HydrophobicContact CG2-CG2 4.41Å; V36-V41 HydrophobicContact CG2-CG2 3.68Å
37S90.5Very high92.8Very high53 Ų5377.5 Ų77.537%0.37136%0.357SS..  trans-85.1156.1171.376.70000110.5T39 T40 V41S37-T39 PolarHBondContact O-N 3.42Å; S37-T39 PolarHBondContact OG-N 2.86Å; S37-T40 WeakPolarHBondContact O-CA 3.24Å; S37-T40 VanDerWaalsContact O-CB 3.31Å; S37-T40 WeakPolarHBondContact O-CB 3.45Å; S37-T40 PolarHBondContact O-N 3.18Å; S37-T40 PolarHBondContact OG-N 2.94Å; S37-T40 PolarHBondContact OG-OG1 3.45Å; S37-V41 PolarHBondContact O-N 3.42Å; S37-V41 VanDerWaalsContact O-N 3.11Å
38K91.8Very high92.8Very high125 Ų12578 Ų7854%0.54336%0.358SS..Hα-helixtrans-58.8-33.7173.4-158-175.1176.2-170.90111.6Q27 V41 G42Q27-K38 HydrophobicContact CB-CG 4.03Å; Q27-K38 VanDerWaalsContact OE1-CE 3.22Å; K38-V41 WeakPolarHBondContact O-CB 3.49Å; K38-V41 PolarHBondContact O-N 2.9Å; K38-G42 PolarHBondContact O-N 3.08Å
39T91.5Very high92.9Very high97 Ų9778.8 Ų78.860%0.59536%0.361SS*.Hα-helixtrans-61.2-42.2172.6-46.10000111.9S37 G42 N43S37-T39 PolarHBondContact O-N 3.42Å; S37-T39 PolarHBondContact OG-N 2.86Å; T39-G42 PolarHBondContact O-N 3.16Å; T39-N43 WeakPolarHBondContact O-CB 3.22Å; T39-N43 VanDerWaalsContact O-CG 3.25Å; T39-N43 PolarHBondContact O-N 3.06Å; T39-N43 PolarHBondContact O-ND2 3.3Å
40T91.6Very high92.8Very high50 Ų5077.3 Ų77.331%0.30736%0.356SS..Hα-helixtrans-62.6-43.2175.9-49.60000111.2V36 S37 N43 I44V36-T40 HydrophobicContact CB-CG2 3.98Å; V36-T40 HydrophobicContact CG1-CG2 4.13Å; V36-T40 HydrophobicContact CG2-CG2 4.41Å; S37-T40 WeakPolarHBondContact O-CA 3.24Å; S37-T40 VanDerWaalsContact O-CB 3.31Å; S37-T40 WeakPolarHBondContact O-CB 3.45Å; S37-T40 PolarHBondContact O-N 3.18Å; S37-T40 PolarHBondContact OG-N 2.94Å; S37-T40 PolarHBondContact OG-OG1 3.45Å; T40-N43 PolarHBondContact O-N 3.16Å; T40-I44 HydrophobicContact CG2-CD1 3.93Å; T40-I44 WeakPolarHBondContact O-CG1 3.47Å; T40-I44 PolarHBondContact O-N 3.08Å
41V94.4Very high92.6Very high0 Ų078 Ų780%036%0.359CS..Hα-helixtrans-59.5-49.8175.3177.90000110.6L18 L22 Q27 T30 A31 V36 S37 K38 N43 I44 Q45L18-V41 HydrophobicContact CD1-CG2 4.49Å; L18-V41 HydrophobicContact CD2-CG1 4.19Å; L22-V41 HydrophobicContact CD1-CG1 3.79Å; L22-V41 HydrophobicContact CD2-CG1 3.72Å; L22-V41 HydrophobicContact CG-CG1 4.37Å; Q27-V41 HydrophobicContact CB-CG1 4.33Å; Q27-V41 HydrophobicContact CG-CG1 4.09Å; T30-V41 HydrophobicContact CG2-CG1 3.94Å; T30-V41 HydrophobicContact CG2-CG2 4.05Å; A31-V41 HydrophobicContact CB-CG2 3.85Å; V36-V41 HydrophobicContact CG2-CG2 3.68Å; S37-V41 PolarHBondContact O-N 3.42Å; S37-V41 VanDerWaalsContact O-N 3.11Å; K38-V41 WeakPolarHBondContact O-CB 3.49Å; K38-V41 PolarHBondContact O-N 2.9Å; V41-N43 VanDerWaalsContact C-N 3.33Å; V41-N43 PolarHBondContact O-N 3.28Å; V41-I44 PolarHBondContact O-N 3.24Å; V41-Q45 WeakPolarHBondContact O-CB 3.46Å; V41-Q45 PolarHBondContact O-N 3.44Å
42G93.7Very high92.5Very high19 Ų1979.9 Ų79.920%0.19637%0.367CS..Hα-helixtrans-61.3-39178.300000113.4K38 T39 Q45 R46K38-G42 PolarHBondContact O-N 3.08Å; T39-G42 PolarHBondContact O-N 3.16Å; G42-Q45 PolarHBondContact O-N 3.19Å; G42-R46 PolarHBondContact O-N 3.48Å
43N93.9Very high92.3Very high87 Ų8778.8 Ų78.847%0.46536%0.362SS..Hα-helixtrans-66.2-39.8175.6-74.7-16.5000112.3T39 T40 V41 R47T39-N43 WeakPolarHBondContact O-CB 3.22Å; T39-N43 VanDerWaalsContact O-CG 3.25Å; T39-N43 PolarHBondContact O-N 3.06Å; T39-N43 PolarHBondContact O-ND2 3.3Å; T40-N43 PolarHBondContact O-N 3.16Å; V41-N43 VanDerWaalsContact C-N 3.33Å; V41-N43 PolarHBondContact O-N 3.28Å; N43-R47 PolarHBondContact O-N 3.17Å
44I93.6Very high92Very high7 Ų774.4 Ų74.44%0.03635%0.346CS..Hα-helixtrans-68.3-43.1176.2-69.4166.4000110.5L10 K15 L18 I19 T40 V41 R46 R47 K48 Y51L10-I44 HydrophobicContact CD1-CD1 3.77Å; K15-I44 HydrophobicContact CB-CG2 4.31Å; K15-I44 HydrophobicContact CG-CD1 4.08Å; K15-I44 HydrophobicContact CG-CG1 4.47Å; L18-I44 HydrophobicContact CD1-CD1 3.88Å; L18-I44 HydrophobicContact CD2-CB 4.33Å; L18-I44 HydrophobicContact CD2-CD1 4.47Å; L18-I44 HydrophobicContact CD2-CG2 4Å; I19-I44 HydrophobicContact CD1-CG2 4.05Å; I19-I44 HydrophobicContact CG1-CG2 3.82Å; T40-I44 HydrophobicContact CG2-CD1 3.93Å; T40-I44 WeakPolarHBondContact O-CG1 3.47Å; T40-I44 PolarHBondContact O-N 3.08Å; V41-I44 PolarHBondContact O-N 3.24Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.18Å; I44-R47 CarbonylContact O-C 3.37Å; I44-R47 PolarHBondContact O-N 3.21Å; I44-R47 VanDerWaalsContact O-N 3.08Å; I44-K48 PolarHBondContact O-N 3.22Å; I44-K48 VanDerWaalsContact O-N 3.16Å; I44-Y51 HydrophobicContact CB-CE2 4.36Å; I44-Y51 HydrophobicContact CG1-CE2 4.32Å; I44-Y51 HydrophobicContact CG2-CD2 4.04Å; I44-Y51 HydrophobicContact CG2-CE2 4.03Å
45Q94.4Very high91.7Very high88 Ų8875.3 Ų75.341%0.41135%0.349SS..Hα-helixtrans-58.3-42.4177.1-172.4177.61800111.8L22 V41 G42 R47 K48L22-Q45 HydrophobicContact CD2-CB 3.71Å; L22-Q45 HydrophobicContact CD2-CG 3.72Å; V41-Q45 WeakPolarHBondContact O-CB 3.46Å; V41-Q45 PolarHBondContact O-N 3.44Å; G42-Q45 PolarHBondContact O-N 3.19Å; Q45-R47 PolarHBondContact O-N 3.49Å; Q45-K48 WeakPolarHBondContact O-CB 3.43Å; Q45-K48 PolarHBondContact O-N 2.64Å; Q45-K48 VanDerWaalsContact O-N 3.11Å
46R94.8Very high91.5Very high213 Ų21376.7 Ų76.780%0.80436%0.355SS*.Hα-helixtrans-62-30.6177.4-165.3178.8-55.5-165.91.9113.1G42 I44G42-R46 PolarHBondContact O-N 3.48Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.18Å
47R93.4Very high91.1Very high90 Ų9084.4 Ų84.434%0.3439%0.388SS..THydrogen-bonded Turntrans-100.220178.2-61.5179.371.9173.66.5112.6N43 I44 Q45 R49 E50 Y51N43-R47 PolarHBondContact O-N 3.17Å; I44-R47 CarbonylContact O-C 3.37Å; I44-R47 PolarHBondContact O-N 3.21Å; I44-R47 VanDerWaalsContact O-N 3.08Å; Q45-R47 PolarHBondContact O-N 3.49Å; R47-R49 VanDerWaalsContact C-N 3.34Å; R47-R49 PolarHBondContact O-N 3.44Å; R47-E50 IonicContact CZ-OE1 3.53Å; R47-E50 IonicContact CZ-OE2 2.92Å; R47-E50 IonicContact NE-OE1 2.73Å; R47-E50 IonicContact NE-OE2 2.87Å; R47-E50 PolarHBondContact NE-OE2 3.36Å; R47-E50 IonicContact NH2-OE1 3.27Å; R47-E50 PolarHBondContact NH2-OE1 3.04Å; R47-E50 IonicContact NH2-OE2 3.1Å; R47-E50 PolarHBondContact NH2-OE2 2.66Å; R47-E50 WeakPolarHBondContact O-CB 3.43Å; R47-E50 PolarHBondContact O-N 3.04Å; R47-Y51 HydrophobicContact CB-CD2 4.03Å; R47-Y51 HydrophobicContact CB-CE2 3.62Å; R47-Y51 WeakPolarHBondContact O-CD2 3.42Å; R47-Y51 PolarHBondContact O-N 3.25Å; R47-Y51 VanDerWaalsContact O-N 3.16Å
48K93.1Very high90.2Very high75 Ų7585 Ų8533%0.32639%0.385SS..Hα-helixtrans-48.1-52.5-177.2170.8175.8-176-175.90112.5I19 E23 I44 Q45 E50 Y51 L52I19-K48 HydrophobicContact CD1-CB 4.35Å; I19-K48 HydrophobicContact CD1-CG 4.35Å; I19-K48 HydrophobicContact CG2-CD 3.87Å; I19-K48 HydrophobicContact CG2-CG 3.72Å; E23-K48 WeakPolarHBondContact OE1-CE 3.47Å; E23-K48 IonicContact OE1-NZ 3.3Å; E23-K48 PolarHBondContact OE1-NZ 3.35Å; I44-K48 PolarHBondContact O-N 3.22Å; I44-K48 VanDerWaalsContact O-N 3.16Å; Q45-K48 WeakPolarHBondContact O-CB 3.43Å; Q45-K48 PolarHBondContact O-N 2.64Å; Q45-K48 VanDerWaalsContact O-N 3.11Å; K48-E50 PolarHBondContact O-N 3.03Å; K48-Y51 PolarHBondContact O-N 3.2Å; K48-L52 HydrophobicContact CD-CD1 4.48Å; K48-L52 HydrophobicContact CG-CD1 3.85Å; K48-L52 HydrophobicContact CG-CG 4.49Å; K48-L52 WeakPolarHBondContact O-CG 3.21Å; K48-L52 PolarHBondContact O-N 2.96Å; K48-L52 VanDerWaalsContact O-N 3.08Å
49R93Very high88.9Confident194 Ų19484.5 Ų84.573%0.73240%0.397SS*.Hα-helixtrans-59-47.1-177.2-169.6178.174-173.51112R47 Y51 L52 E53R47-R49 VanDerWaalsContact C-N 3.34Å; R47-R49 PolarHBondContact O-N 3.44Å; R49-Y51 VanDerWaalsContact C-N 3.32Å; R49-Y51 PolarHBondContact O-N 2.78Å; R49-L52 PolarHBondContact O-N 3.08Å; R49-E53 WeakPolarHBondContact CD-OE1 3.49Å; R49-E53 HydrophobicContact CG-CG 4.42Å; R49-E53 VanDerWaalsContact CG-OE1 3.22Å; R49-E53 WeakPolarHBondContact CG-OE1 3.33Å; R49-E53 IonicContact NE-OE1 2.61Å; R49-E53 WeakPolarHBondContact O-CG 3.49Å; R49-E53 PolarHBondContact O-N 3.32Å
50E92.4Very high87.1Confident78 Ų7880.6 Ų80.636%0.36438%0.376SS..Hα-helixtrans-58.6-42178.3-174-163.8141.500112.1R47 K48 R54R47-E50 IonicContact CZ-OE1 3.53Å; R47-E50 IonicContact CZ-OE2 2.92Å; R47-E50 IonicContact NE-OE1 2.73Å; R47-E50 IonicContact NE-OE2 2.87Å; R47-E50 PolarHBondContact NE-OE2 3.36Å; R47-E50 IonicContact NH2-OE1 3.27Å; R47-E50 PolarHBondContact NH2-OE1 3.04Å; R47-E50 IonicContact NH2-OE2 3.1Å; R47-E50 PolarHBondContact NH2-OE2 2.66Å; R47-E50 WeakPolarHBondContact O-CB 3.43Å; R47-E50 PolarHBondContact O-N 3.04Å; K48-E50 PolarHBondContact O-N 3.03Å; E50-R54 WeakPolarHBondContact O-CB 3.35Å; E50-R54 PolarHBondContact O-N 3.24Å
51Y90.7Very high85.3Confident16 Ų1684.1 Ų84.16%0.06339%0.393CS..Hα-helixtrans-72.3-37.2-179.2-67.5-46.8000113.2L12 K15 I19 I44 R47 K48 R49 Y55L12-Y51 HydrophobicContact CD1-CD1 3.8Å; L12-Y51 HydrophobicContact CD1-CG 4.46Å; K15-Y51 HydrophobicContact CB-CG 4.49Å; K15-Y51 HydrophobicContact CD-CD1 4.13Å; K15-Y51 HydrophobicContact CD-CD2 4.46Å; K15-Y51 HydrophobicContact CD-CE1 3.79Å; K15-Y51 HydrophobicContact CD-CE2 4.09Å; K15-Y51 HydrophobicContact CD-CG 4.49Å; I19-Y51 HydrophobicContact CD1-CD2 4.08Å; I19-Y51 HydrophobicContact CD1-CG 4.46Å; I44-Y51 HydrophobicContact CB-CE2 4.36Å; I44-Y51 HydrophobicContact CG1-CE2 4.32Å; I44-Y51 HydrophobicContact CG2-CD2 4.04Å; I44-Y51 HydrophobicContact CG2-CE2 4.03Å; R47-Y51 HydrophobicContact CB-CD2 4.03Å; R47-Y51 HydrophobicContact CB-CE2 3.62Å; R47-Y51 WeakPolarHBondContact O-CD2 3.42Å; R47-Y51 PolarHBondContact O-N 3.25Å; R47-Y51 VanDerWaalsContact O-N 3.16Å; K48-Y51 PolarHBondContact O-N 3.2Å; R49-Y51 VanDerWaalsContact C-N 3.32Å; R49-Y51 PolarHBondContact O-N 2.78Å; Y51-Y55 WeakPolarHBondContact O-CB 3.17Å; Y51-Y55 PolarHBondContact O-N 2.74Å
52L90.1Very high83.2Confident49 Ų4988 Ų8826%0.25743%0.425SS..Hα-helixtrans-68.4-50.5178.2-69.3174.4000111.8V16 K48 R49 R54 Y55 E56V16-L52 HydrophobicContact CG1-CD2 3.95Å; V16-L52 HydrophobicContact CG2-CD2 4.36Å; K48-L52 HydrophobicContact CD-CD1 4.48Å; K48-L52 HydrophobicContact CG-CD1 3.85Å; K48-L52 HydrophobicContact CG-CG 4.49Å; K48-L52 WeakPolarHBondContact O-CG 3.21Å; K48-L52 PolarHBondContact O-N 2.96Å; K48-L52 VanDerWaalsContact O-N 3.08Å; R49-L52 PolarHBondContact O-N 3.08Å; L52-R54 PolarHBondContact O-N 3.21Å; L52-Y55 PolarHBondContact O-N 2.78Å; L52-Y55 VanDerWaalsContact O-N 3.1Å; L52-E56 PolarHBondContact O-N 3.12Å; L52-E56 VanDerWaalsContact O-N 3.08Å
53E89.7Confident81.2Confident91 Ų9191.2 Ų91.243%0.42544%0.435SS..Hα-helixtrans-57.4-38.5177.1-72173.2-169.400111.8R49 K57R49-E53 WeakPolarHBondContact CD-OE1 3.49Å; R49-E53 HydrophobicContact CG-CG 4.42Å; R49-E53 VanDerWaalsContact CG-OE1 3.22Å; R49-E53 WeakPolarHBondContact CG-OE1 3.33Å; R49-E53 IonicContact NE-OE1 2.61Å; R49-E53 WeakPolarHBondContact O-CG 3.49Å; R49-E53 PolarHBondContact O-N 3.32Å; E53-K57 WeakPolarHBondContact O-CG 3.5Å; E53-K57 PolarHBondContact O-N 3.1Å
54R85.9Confident79.3Confident64 Ų6497.5 Ų97.524%0.24245%0.452CS..Hα-helixtrans-70.7-37.9178.9-170.7174.7177.2-148.6-21.8112.3L12 E50 L52 E56 K57 E58L12-R54 HydrophobicContact CD2-CB 4.35Å; L12-R54 HydrophobicContact CD2-CG 3.9Å; E50-R54 WeakPolarHBondContact O-CB 3.35Å; E50-R54 PolarHBondContact O-N 3.24Å; L52-R54 PolarHBondContact O-N 3.21Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-K57 PolarHBondContact O-N 3.24Å; R54-E58 HydrophobicContact CG-CG 4.34Å; R54-E58 IonicContact CZ-OE1 3.47Å; R54-E58 VanDerWaalsContact CZ-OE1 3.27Å; R54-E58 IonicContact CZ-OE2 2.66Å; R54-E58 IonicContact NE-OE1 2.66Å; R54-E58 PolarHBondContact NE-OE1 3.27Å; R54-E58 IonicContact NE-OE2 3.29Å; R54-E58 IonicContact NH2-OE1 3.42Å; R54-E58 PolarHBondContact NH2-OE1 3.45Å; R54-E58 IonicContact NH2-OE2 2.74Å; R54-E58 PolarHBondContact NH2-OE2 3.11Å; R54-E58 WeakPolarHBondContact O-CB 3.46Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 2.73Å
55Y86.6Confident77.2Confident48 Ų48104 Ų10419%0.18848%0.476CS..Hα-helixtrans-67.6-36.4179.2-172.5-98.1000112L12 K13 V16 Y51 L52 G60L12-Y55 HydrophobicContact CD2-CD2 4.3Å; L12-Y55 HydrophobicContact CG-CD2 4.12Å; K13-Y55 HydrophobicContact CB-CE2 3.92Å; K13-Y55 HydrophobicContact CG-CE2 4.08Å; V16-Y55 HydrophobicContact CB-CD2 4.41Å; V16-Y55 HydrophobicContact CB-CG 4.41Å; V16-Y55 HydrophobicContact CG1-CD1 4.32Å; V16-Y55 HydrophobicContact CG1-CG 4.46Å; V16-Y55 HydrophobicContact CG2-CD1 4.4Å; V16-Y55 HydrophobicContact CG2-CD2 3.9Å; V16-Y55 HydrophobicContact CG2-CG 3.75Å; Y51-Y55 WeakPolarHBondContact O-CB 3.17Å; Y51-Y55 PolarHBondContact O-N 2.74Å; L52-Y55 PolarHBondContact O-N 2.78Å; L52-Y55 VanDerWaalsContact O-N 3.1Å; Y55-G60 VanDerWaalsContact CE2-CA 3.46Å; Y55-G60 WeakPolarHBondContact CE2-O 3.44Å; Y55-G60 VanDerWaalsContact CZ-CA 3.43Å; Y55-G60 PolarHBondContact O-N 3.06Å; Y55-G60 PolarHBondContact OH-O 3.5Å
56E85.6Confident75.4Confident155 Ų155105.5 Ų105.572%0.72448%0.481SS*.Hα-helixtrans-64-40.7173.2-73174-179.100112.2L52 R54L52-E56 PolarHBondContact O-N 3.12Å; L52-E56 VanDerWaalsContact O-N 3.08Å; R54-E56 VanDerWaalsContact C-N 3.34Å
57K81.8Confident73.5Confident174 Ų174105.9 Ų105.976%0.75748%0.483SS*.Hα-helixtrans-72.4-32.1178.8-71.3177.1-177.8176.90114.2E53 R54E53-K57 WeakPolarHBondContact O-CG 3.5Å; E53-K57 PolarHBondContact O-N 3.1Å; R54-K57 PolarHBondContact O-N 3.24Å
58E71.5Confident71.9Confident65 Ų65112.8 Ų112.830%0.30451%0.509SS..THydrogen-bonded Turntrans-94.314.8-173.3-67.6-178.3-176.900113.5L12 R54 G60L12-E58 WeakPolarHBondContact CD2-OE2 3.48Å; R54-E58 HydrophobicContact CG-CG 4.34Å; R54-E58 IonicContact CZ-OE1 3.47Å; R54-E58 VanDerWaalsContact CZ-OE1 3.27Å; R54-E58 IonicContact CZ-OE2 2.66Å; R54-E58 IonicContact NE-OE1 2.66Å; R54-E58 PolarHBondContact NE-OE1 3.27Å; R54-E58 IonicContact NE-OE2 3.29Å; R54-E58 IonicContact NH2-OE1 3.42Å; R54-E58 PolarHBondContact NH2-OE1 3.45Å; R54-E58 IonicContact NH2-OE2 2.74Å; R54-E58 PolarHBondContact NH2-OE2 3.11Å; R54-E58 WeakPolarHBondContact O-CB 3.46Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 2.73Å; E58-G60 PolarHBondContact O-N 3.36Å; E58-G60 VanDerWaalsContact O-N 3.11Å
59S64.5Low70.8Confident115 Ų115112.5 Ų112.580%0.80451%0.513SS*.THydrogen-bonded Turntrans51.732178.9-64.10000115D61S59-D61 VanDerWaalsContact C-N 3.26Å; S59-D61 PolarHBondContact O-N 2.79Å; S59-D61 VanDerWaalsContact O-N 3.12Å
60G54.2Low69.8Low15 Ų15106.9 Ų106.916%0.15550%0.504CS..THydrogen-bonded Turntrans73.1-1.2167.700000117.7Y55 E58Y55-G60 VanDerWaalsContact CE2-CA 3.46Å; Y55-G60 WeakPolarHBondContact CE2-O 3.44Å; Y55-G60 VanDerWaalsContact CZ-CA 3.43Å; Y55-G60 PolarHBondContact O-N 3.06Å; Y55-G60 PolarHBondContact OH-O 3.5Å; E58-G60 PolarHBondContact O-N 3.36Å; E58-G60 VanDerWaalsContact O-N 3.11Å
61D53.3Low69.5Low123 Ų123105.7 Ų105.766%0.65850%0.5SS*.SBendtrans-123.7118.2-174.9-126.4-17.8000115.5S59 Q63S59-D61 VanDerWaalsContact C-N 3.26Å; S59-D61 PolarHBondContact O-N 2.79Å; S59-D61 VanDerWaalsContact O-N 3.12Å; D61-Q63 PolarHBondContact O-N 3.24Å
62A50.4Low69.4Low81 Ų81106.3 Ų106.367%0.66950%0.504SS*.  trans29.473.6156.900000119.7
63Q53.3Low69.4Low88 Ų88109.8 Ų109.841%0.41152%0.519SS..  trans-117.995.4145-77.2-174.17.300111.2D61 R65 K66D61-Q63 PolarHBondContact O-N 3.24Å; Q63-R65 PolarHBondContact O-N 2.86Å; Q63-K66 VanDerWaalsContact NE2-NZ 3.13Å
64R53.1Low69.7Low219 Ų219105.4 Ų105.483%0.82650%0.499SS*.  trans-39.5130153.9-82.9-177172.2177.3-1.7107.2K66R64-K66 PolarHBondContact O-N 3.33Å
65R50.5Low70.1Confident143 Ų143102.7 Ų102.754%0.5449%0.489SS..  trans-29.6100.6178.8-118.1177.2167.5-177.2-7.9109.7Q63 R67Q63-R65 PolarHBondContact O-N 2.86Å; R65-R67 PolarHBondContact O-N 2.92Å
66K55.8Low70.5Confident120 Ų120105.4 Ų105.452%0.52250%0.503SS..  trans-65.499.6162.6-81.1179.5178.9165.50103.3Q63 R64 R68Q63-K66 VanDerWaalsContact NE2-NZ 3.13Å; R64-K66 PolarHBondContact O-N 3.33Å; K66-R68 PolarHBondContact O-N 2.83Å
67R54.7Low71Confident221 Ų22198.8 Ų98.883%0.83448%0.475SS*.  trans-56104.2164.4-94.9-174.7171.5-178.5-2.1104R65 T69R65-R67 PolarHBondContact O-N 2.92Å; R67-T69 PolarHBondContact O-N 2.98Å
68R59.5Low71.7Confident234 Ų23490.5 Ų90.588%0.88344%0.439SS*.  trans-61.8110.7172.5-80.7-169.4178.7-158.9-0.1105.5K66 D72K66-R68 PolarHBondContact O-N 2.83Å; R68-D72 WeakPolarHBondContact CA-OD2 3.14Å
69T70.5Confident72.9Confident69 Ų6988.2 Ų88.242%0.42343%0.429SS..  trans-94.8152.8173.256.30000107.5R67 L71 D72R67-T69 PolarHBondContact O-N 2.98Å; T69-L71 PolarHBondContact O-N 2.69Å; T69-D72 PolarHBondContact N-OD2 2.85Å; T69-D72 WeakPolarHBondContact O-CB 3.33Å; T69-D72 PolarHBondContact O-N 3.25Å
70S71.2Confident74.4Confident77 Ų7788 Ų8854%0.53842%0.415SS..THydrogen-bonded Turntrans-53.5-27.5174.555.10000112.4D72 F110S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 PolarHBondContact O-N 2.88Å; S70-F110 WeakPolarHBondContact O-CE2 3.17Å; S70-F110 WeakPolarHBondContact O-CZ 3.38Å
71L85.5Confident76.5Confident53 Ų5389.3 Ų89.328%0.27742%0.416SS..THydrogen-bonded Turntrans-72.4-7174.8-68.2169.8000115.2T69 Q73 V74 N75 F110 F113T69-L71 PolarHBondContact O-N 2.69Å; L71-Q73 VanDerWaalsContact C-N 3.27Å; L71-Q73 PolarHBondContact O-N 3.1Å; L71-V74 HydrophobicContact CD2-CG2 4.3Å; L71-V74 WeakPolarHBondContact O-CB 3.42Å; L71-V74 PolarHBondContact O-N 3.21Å; L71-N75 VanDerWaalsContact O-CG 3.32Å; L71-N75 PolarHBondContact O-N 3.13Å; L71-N75 PolarHBondContact O-ND2 3.43Å; L71-F110 HydrophobicContact CD2-CG 4.36Å; L71-F113 HydrophobicContact CD1-CD2 4.34Å; L71-F113 HydrophobicContact CD2-CB 4.37Å; L71-F113 HydrophobicContact CD2-CD2 3.63Å; L71-F113 HydrophobicContact CD2-CE2 4.14Å; L71-F113 HydrophobicContact CD2-CG 4.09Å
72D88.8Confident78.6Confident28 Ų2885.1 Ų85.115%0.1539%0.391CS..Hα-helixtrans-67.4-30.2178.2-72.4-33.5000112.2R68 T69 S70 V74 N75 E76 R126R68-D72 WeakPolarHBondContact CA-OD2 3.14Å; T69-D72 PolarHBondContact N-OD2 2.85Å; T69-D72 WeakPolarHBondContact O-CB 3.33Å; T69-D72 PolarHBondContact O-N 3.25Å; S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 PolarHBondContact O-N 2.88Å; D72-V74 VanDerWaalsContact C-N 3.32Å; D72-V74 PolarHBondContact O-N 3.32Å; D72-N75 PolarHBondContact O-N 3.13Å; D72-N75 PolarHBondContact OD1-ND2 2.91Å; D72-E76 WeakPolarHBondContact O-CG 3.38Å; D72-E76 PolarHBondContact O-N 3.06Å; D72-R126 IonicContact OD1-NH1 3.72Å; D72-R126 PolarHBondContact OD1-NH1 3.29Å; D72-R126 VanDerWaalsContact OD1-NH1 3.1Å
73Q91.7Very high80.7Confident122 Ų12287.4 Ų87.457%0.5739%0.386SS*.Hα-helixtrans-59.9-43.6171.2-71.4177.4-29.800111.4L71 N75 E76 A77 F108L71-Q73 VanDerWaalsContact C-N 3.27Å; L71-Q73 PolarHBondContact O-N 3.1Å; Q73-N75 PolarHBondContact O-N 3.46Å; Q73-E76 PolarHBondContact O-N 3.44Å; Q73-A77 WeakPolarHBondContact O-CB 3.31Å; Q73-A77 PolarHBondContact O-N 2.87Å; Q73-F108 HydrophobicContact CB-CD2 3.92Å; Q73-F108 HydrophobicContact CB-CE2 4.03Å
74V94.9Very high82.8Confident0 Ų088.3 Ų88.30%039%0.391CS..Hα-helixtrans-62.2-43.4175.2-179.30000111.1L71 D72 A78 A101 F104 A105 F108 F110 F113L71-V74 HydrophobicContact CD2-CG2 4.3Å; L71-V74 WeakPolarHBondContact O-CB 3.42Å; L71-V74 PolarHBondContact O-N 3.21Å; D72-V74 VanDerWaalsContact C-N 3.32Å; D72-V74 PolarHBondContact O-N 3.32Å; V74-A78 VanDerWaalsContact O-CB 3.3Å; V74-A78 WeakPolarHBondContact O-CB 3.38Å; V74-A78 PolarHBondContact O-N 3.45Å; V74-A101 HydrophobicContact CG1-CB 4.12Å; V74-A101 VanDerWaalsContact CG1-O 3.25Å; V74-A101 WeakPolarHBondContact CG1-O 3.37Å; V74-F104 HydrophobicContact CG1-CB 4.48Å; V74-A105 HydrophobicContact CG1-CB 4.24Å; V74-A105 HydrophobicContact CG2-CB 3.91Å; V74-F108 HydrophobicContact CG2-CD2 3.85Å; V74-F110 HydrophobicContact CG2-CD2 3.81Å; V74-F110 HydrophobicContact CG2-CE2 4.26Å; V74-F113 HydrophobicContact CG1-CD1 4.34Å; V74-F113 HydrophobicContact CG1-CE1 3.87Å; V74-F113 HydrophobicContact CG1-CZ 4.3Å
75N94.4Very high84.7Confident7 Ų780.6 Ų80.64%0.03737%0.365CS..Hα-helixtrans-62.8-46.2179.2-64.4-39.7000111.7L71 D72 Q73 A78 L79 W119 F123 R126 Y127L71-N75 VanDerWaalsContact O-CG 3.32Å; L71-N75 PolarHBondContact O-N 3.13Å; L71-N75 PolarHBondContact O-ND2 3.43Å; D72-N75 PolarHBondContact O-N 3.13Å; D72-N75 PolarHBondContact OD1-ND2 2.91Å; Q73-N75 PolarHBondContact O-N 3.46Å; N75-A78 PolarHBondContact O-N 3.41Å; N75-L79 WeakPolarHBondContact O-CB 3.34Å; N75-L79 PolarHBondContact O-N 3.26Å; N75-W119 PolarHBondContact OD1-NE1 3.25Å; N75-F123 WeakPolarHBondContact O-CE2 3.47Å; N75-R126 PolarHBondContact ND2-NH1 3.16Å; N75-Y127 HydrophobicContact CB-CE2 4.29Å
76E94.7Very high86.6Confident104 Ų10477.9 Ų77.949%0.48635%0.354SS..Hα-helixtrans-67.1-40.9179.8-66.3-54.2137.900111.8D72 Q73 L79 H80 Y127D72-E76 WeakPolarHBondContact O-CG 3.38Å; D72-E76 PolarHBondContact O-N 3.06Å; Q73-E76 PolarHBondContact O-N 3.44Å; E76-L79 PolarHBondContact O-N 3.47Å; E76-H80 WeakPolarHBondContact O-CB 3.44Å; E76-H80 PolarHBondContact O-N 3Å; E76-Y127 PolarHBondContact OE1-OH 2.91Å
77A96.3Very high88.3Confident17 Ų1776 Ų7614%0.1436%0.361CS..Hα-helixtrans-63.5-44.8175.900000112.1Q73 L79 H80 W81 F104 F108Q73-A77 WeakPolarHBondContact O-CB 3.31Å; Q73-A77 PolarHBondContact O-N 2.87Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-L79 PolarHBondContact O-N 2.94Å; A77-H80 PolarHBondContact O-N 2.91Å; A77-W81 PolarHBondContact O-N 2.83Å; A77-F104 VanDerWaalsContact C-CE2 3.47Å; A77-F104 HydrophobicContact CB-CB 4.17Å; A77-F104 HydrophobicContact CB-CD1 3.91Å; A77-F104 HydrophobicContact CB-CD2 3.55Å; A77-F104 HydrophobicContact CB-CE1 4.15Å; A77-F104 HydrophobicContact CB-CE2 3.79Å; A77-F104 HydrophobicContact CB-CG 3.62Å; A77-F104 HydrophobicContact CB-CZ 4.1Å; A77-F104 WeakPolarHBondContact O-CE2 3.26Å; A77-F108 HydrophobicContact CB-CE2 3.87Å; A77-F108 HydrophobicContact CB-CZ 4.03Å
78A96.7Very high90Very high0 Ų069 Ų690%035%0.351CS..Hα-helixtrans-63.1-37.6175.900000112.3V74 N75 F82 I100 A101 W119 F123V74-A78 VanDerWaalsContact O-CB 3.3Å; V74-A78 WeakPolarHBondContact O-CB 3.38Å; V74-A78 PolarHBondContact O-N 3.45Å; N75-A78 PolarHBondContact O-N 3.41Å; A78-F82 WeakPolarHBondContact O-CB 3.44Å; A78-F82 PolarHBondContact O-N 3.5Å; A78-I100 HydrophobicContact CB-CG2 4.49Å; A78-A101 HydrophobicContact CB-CB 4.1Å; A78-W119 HydrophobicContact CB-CH2 4.48Å; A78-F123 HydrophobicContact CB-CE2 4.02Å; A78-F123 HydrophobicContact CB-CZ 4.12Å
79L96.8Very high91.1Very high16 Ų1662.5 Ų62.58%0.08433%0.334CS..Hα-helixtrans-66.1-44174.717968.1000111.8N75 E76 A77 F82 K83 F123 Y127N75-L79 WeakPolarHBondContact O-CB 3.34Å; N75-L79 PolarHBondContact O-N 3.26Å; E76-L79 PolarHBondContact O-N 3.47Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-L79 PolarHBondContact O-N 2.94Å; L79-F82 WeakPolarHBondContact O-CB 3.37Å; L79-F82 PolarHBondContact O-N 3.26Å; L79-K83 HydrophobicContact CG-CD 4.46Å; L79-K83 WeakPolarHBondContact O-CG 3.46Å; L79-K83 PolarHBondContact O-N 3.39Å; L79-F123 HydrophobicContact CB-CE2 4.43Å; L79-F123 HydrophobicContact CB-CZ 4.19Å; L79-Y127 HydrophobicContact CB-CE2 4.5Å; L79-Y127 HydrophobicContact CD1-CD1 4.08Å; L79-Y127 HydrophobicContact CD1-CD2 4.24Å; L79-Y127 HydrophobicContact CD1-CG 3.8Å; L79-Y127 HydrophobicContact CD2-CD1 3.5Å; L79-Y127 HydrophobicContact CD2-CE1 3.52Å; L79-Y127 HydrophobicContact CD2-CG 4.08Å; L79-Y127 HydrophobicContact CG-CD1 4.32Å; L79-Y127 HydrophobicContact CG-CG 4.43Å
80H97Very high91.8Very high112 Ų11260.3 Ų60.352%0.51932%0.322SS..Hα-helixtrans-60.1-48.9178.5-177.6-100.5000111.1E76 A77 F82 K83 Q84E76-H80 WeakPolarHBondContact O-CB 3.44Å; E76-H80 PolarHBondContact O-N 3Å; A77-H80 PolarHBondContact O-N 2.91Å; H80-F82 VanDerWaalsContact C-N 3.33Å; H80-F82 PolarHBondContact O-N 3.05Å; H80-K83 PolarHBondContact O-N 3.49Å; H80-Q84 PolarHBondContact CE1-NE2 2.76Å; H80-Q84 WeakPolarHBondContact O-CG 3.25Å; H80-Q84 PolarHBondContact O-N 2.72Å
81W97.7Very high92.6Very high42 Ų4266.1 Ų66.116%0.15933%0.332CS..Hα-helixtrans-56.7-45.4173.5175.387.9000112.2A77 K83 Q84 M85 I92 M96 I97 I100 F104A77-W81 PolarHBondContact O-N 2.83Å; W81-K83 VanDerWaalsContact C-N 3.33Å; W81-K83 PolarHBondContact O-N 3.03Å; W81-Q84 PolarHBondContact O-N 3.29Å; W81-M85 HydrophobicContact CD2-CG 3.89Å; W81-M85 VanDerWaalsContact CE2-CG 3.5Å; W81-M85 HydrophobicContact CE3-CG 4.36Å; W81-M85 HydrophobicContact CG-CG 4.39Å; W81-M85 HydrophobicContact CH2-CG 4.17Å; W81-M85 HydrophobicContact CZ2-CE 4.25Å; W81-M85 HydrophobicContact CZ2-CG 3.67Å; W81-M85 HydrophobicContact CZ2-SD 4.39Å; W81-M85 HydrophobicContact CZ3-CG 4.49Å; W81-M85 WeakPolarHBondContact O-CG 3.43Å; W81-M85 PolarHBondContact O-N 2.85Å; W81-I92 HydrophobicContact CH2-CG2 4.06Å; W81-I92 HydrophobicContact CZ3-CG2 3.93Å; W81-M96 HydrophobicContact CH2-CB 4.08Å; W81-I97 HydrophobicContact CZ3-CG1 4.15Å; W81-I100 HydrophobicContact CB-CG1 4.22Å; W81-I100 HydrophobicContact CD2-CB 4.08Å; W81-I100 HydrophobicContact CD2-CD1 4.44Å; W81-I100 HydrophobicContact CD2-CG1 3.78Å; W81-I100 HydrophobicContact CD2-CG2 3.78Å; W81-I100 HydrophobicContact CE3-CB 4.26Å; W81-I100 HydrophobicContact CE3-CG1 4.41Å; W81-I100 HydrophobicContact CE3-CG2 3.52Å; W81-I100 HydrophobicContact CG-CB 4.46Å; W81-I100 HydrophobicContact CG-CD1 4.24Å; W81-I100 HydrophobicContact CG-CG1 3.67Å; W81-I100 HydrophobicContact CG-CG2 4.32Å; W81-I100 HydrophobicContact CH2-CG2 4.46Å; W81-I100 HydrophobicContact CZ3-CG2 3.9Å; W81-F104 HydrophobicContact CB-CE2 4.04Å; W81-F104 HydrophobicContact CB-CZ 4.35Å
82F96.6Very high92.8Very high34 Ų3465.3 Ų65.315%0.14933%0.328CS..Hα-helixtrans-58-45.5177.9171.9-94.8000111.7A78 L79 H80 M85 R86 I92 I97 I129A78-F82 WeakPolarHBondContact O-CB 3.44Å; A78-F82 PolarHBondContact O-N 3.5Å; L79-F82 WeakPolarHBondContact O-CB 3.37Å; L79-F82 PolarHBondContact O-N 3.26Å; H80-F82 VanDerWaalsContact C-N 3.33Å; H80-F82 PolarHBondContact O-N 3.05Å; F82-M85 PolarHBondContact O-N 3.17Å; F82-R86 HydrophobicContact CD1-CG 4.27Å; F82-R86 HydrophobicContact CD2-CG 4.37Å; F82-R86 HydrophobicContact CE1-CG 3.82Å; F82-R86 HydrophobicContact CE2-CG 3.93Å; F82-R86 HydrophobicContact CZ-CG 3.63Å; F82-R86 WeakPolarHBondContact O-CB 3.43Å; F82-R86 WeakPolarHBondContact O-CG 3.43Å; F82-R86 PolarHBondContact O-N 3.21Å; F82-I92 HydrophobicContact CD2-CD1 3.68Å; F82-I92 HydrophobicContact CD2-CG2 4.25Å; F82-I92 HydrophobicContact CE2-CD1 3.93Å; F82-I92 HydrophobicContact CE2-CG2 4.5Å; F82-I92 HydrophobicContact CG-CD1 4.48Å; F82-I97 HydrophobicContact CD2-CD1 4.02Å; F82-I97 HydrophobicContact CD2-CG1 4.38Å; F82-I97 HydrophobicContact CE2-CD1 4.31Å; F82-I129 HydrophobicContact CD1-CD1 3.97Å; F82-I129 HydrophobicContact CD2-CD1 4.5Å; F82-I129 HydrophobicContact CE1-CD1 3.89Å; F82-I129 HydrophobicContact CE1-CG1 4.01Å; F82-I129 HydrophobicContact CE1-CG2 4.38Å; F82-I129 HydrophobicContact CE2-CD1 4.42Å; F82-I129 HydrophobicContact CE2-CG2 4.08Å; F82-I129 HydrophobicContact CG-CD1 4.28Å; F82-I129 HydrophobicContact CZ-CD1 4.13Å; F82-I129 HydrophobicContact CZ-CG1 4.2Å; F82-I129 HydrophobicContact CZ-CG2 3.71Å
83K95.8Very high93Very high130 Ų13067 Ų6757%0.56534%0.342SS*.Hα-helixtrans-62-44178.3-73.4178.1176.5-1790112.1L79 H80 W81 R86 A87L79-K83 HydrophobicContact CG-CD 4.46Å; L79-K83 WeakPolarHBondContact O-CG 3.46Å; L79-K83 PolarHBondContact O-N 3.39Å; H80-K83 PolarHBondContact O-N 3.49Å; W81-K83 VanDerWaalsContact C-N 3.33Å; W81-K83 PolarHBondContact O-N 3.03Å; K83-R86 PolarHBondContact O-N 3.2Å; K83-A87 PolarHBondContact O-N 3.42Å
84Q96.1Very high93.1Very high107 Ų10762 Ų6250%0.532%0.323SS..Hα-helixtrans-60.3-48.6176.5-71.4-177.4-24.100111.6H80 W81 R86 A87 A88H80-Q84 PolarHBondContact CE1-NE2 2.76Å; H80-Q84 WeakPolarHBondContact O-CG 3.25Å; H80-Q84 PolarHBondContact O-N 2.72Å; W81-Q84 PolarHBondContact O-N 3.29Å; Q84-R86 VanDerWaalsContact C-N 3.29Å; Q84-R86 PolarHBondContact O-N 2.99Å; Q84-A87 WeakPolarHBondContact O-CB 3.3Å; Q84-A87 PolarHBondContact O-N 2.96Å; Q84-A87 VanDerWaalsContact O-N 3.16Å; Q84-A88 PolarHBondContact O-N 3.42Å
85M94.2Very high93.1Very high57 Ų5765.9 Ų65.928%0.28135%0.348SS..Hα-helixtrans-63.7-34.7179.2-67.9-59.7-75.300112.2W81 F82 A88 N89 A90 I92W81-M85 HydrophobicContact CD2-CG 3.89Å; W81-M85 VanDerWaalsContact CE2-CG 3.5Å; W81-M85 HydrophobicContact CE3-CG 4.36Å; W81-M85 HydrophobicContact CG-CG 4.39Å; W81-M85 HydrophobicContact CH2-CG 4.17Å; W81-M85 HydrophobicContact CZ2-CE 4.25Å; W81-M85 HydrophobicContact CZ2-CG 3.67Å; W81-M85 HydrophobicContact CZ2-SD 4.39Å; W81-M85 HydrophobicContact CZ3-CG 4.49Å; W81-M85 WeakPolarHBondContact O-CG 3.43Å; W81-M85 PolarHBondContact O-N 2.85Å; F82-M85 PolarHBondContact O-N 3.17Å; M85-A88 CarbonylContact O-C 3.59Å; M85-A88 PolarHBondContact O-N 3.31Å; M85-N89 PolarHBondContact O-N 2.98Å; M85-A90 HydrophobicContact CB-CB 4.19Å; M85-A90 HydrophobicContact CE-CB 3.67Å; M85-A90 VanDerWaalsContact O-CB 3.27Å; M85-A90 WeakPolarHBondContact O-CB 3.13Å; M85-A90 PolarHBondContact O-N 2.98Å; M85-I92 HydrophobicContact CB-CD1 3.39Å; M85-I92 HydrophobicContact CB-CG1 4.03Å; M85-I92 HydrophobicContact CG-CD1 4.5Å
86R90.7Very high93.2Very high86 Ų8668.7 Ų68.733%0.32536%0.362SS..Hα-helixtrans-69.9-37.3173.4-71.8-54.4-57.8160.4-3.1113.1F82 K83 Q84 A88 N89 A90 I92F82-R86 HydrophobicContact CD1-CG 4.27Å; F82-R86 HydrophobicContact CD2-CG 4.37Å; F82-R86 HydrophobicContact CE1-CG 3.82Å; F82-R86 HydrophobicContact CE2-CG 3.93Å; F82-R86 HydrophobicContact CZ-CG 3.63Å; F82-R86 WeakPolarHBondContact O-CB 3.43Å; F82-R86 WeakPolarHBondContact O-CG 3.43Å; F82-R86 PolarHBondContact O-N 3.21Å; K83-R86 PolarHBondContact O-N 3.2Å; Q84-R86 VanDerWaalsContact C-N 3.29Å; Q84-R86 PolarHBondContact O-N 2.99Å; R86-A88 VanDerWaalsContact C-N 3.26Å; R86-A88 PolarHBondContact O-N 2.9Å; R86-N89 PolarHBondContact O-N 3.44Å; R86-N89 VanDerWaalsContact O-N 3.11Å; R86-A90 PolarHBondContact NH1-O 3.49Å; R86-I92 HydrophobicContact CG-CD1 3.82Å
87A90.3Very high93.3Very high81 Ų8164 Ų6467%0.66934%0.34SS*.Hα-helixtrans-63.3-35.9173.600000111.5K83 Q84 N89K83-A87 PolarHBondContact O-N 3.42Å; Q84-A87 WeakPolarHBondContact O-CB 3.3Å; Q84-A87 PolarHBondContact O-N 2.96Å; Q84-A87 VanDerWaalsContact O-N 3.16Å; A87-N89 PolarHBondContact O-N 3.15Å
88A89.7Confident93.3Very high74 Ų7464.1 Ų64.161%0.61234%0.337SS*.THydrogen-bonded Turntrans-79.811.3173.500000114.4Q84 M85 R86 A90Q84-A88 PolarHBondContact O-N 3.42Å; M85-A88 CarbonylContact O-C 3.59Å; M85-A88 PolarHBondContact O-N 3.31Å; R86-A88 VanDerWaalsContact C-N 3.26Å; R86-A88 PolarHBondContact O-N 2.9Å; A88-A90 PolarHBondContact O-N 2.99Å; A88-A90 VanDerWaalsContact O-N 3.11Å
89N83.5Confident93.3Very high97 Ų9768.3 Ų68.352%0.51936%0.357SS..THydrogen-bonded Turntrans57.622.1-179.1-61.7-41000115.5M85 R86 A87 R139M85-N89 PolarHBondContact O-N 2.98Å; R86-N89 PolarHBondContact O-N 3.44Å; R86-N89 VanDerWaalsContact O-N 3.11Å; A87-N89 PolarHBondContact O-N 3.15Å; N89-R139 PolarHBondContact OD1-NH1 3.48Å
90A85.6Confident93.3Very high23 Ų2368.8 Ų68.819%0.1936%0.359CS..  trans-68.6142.8177.800000111.4M85 R86 A88 I92M85-A90 HydrophobicContact CB-CB 4.19Å; M85-A90 HydrophobicContact CE-CB 3.67Å; M85-A90 VanDerWaalsContact O-CB 3.27Å; M85-A90 WeakPolarHBondContact O-CB 3.13Å; M85-A90 PolarHBondContact O-N 2.98Å; R86-A90 PolarHBondContact NH1-O 3.49Å; A88-A90 PolarHBondContact O-N 2.99Å; A88-A90 VanDerWaalsContact O-N 3.11Å; A90-I92 HydrophobicContact CB-CG1 4.47Å
91R87.1Confident93.3Very high198 Ų19863.5 Ų63.575%0.74734%0.335SS*.  trans-77.4119.7167.4-65.4-172.8174.3105.6-1.8108.1L134R91-L134 HydrophobicContact CG-CD1 4.1Å
92I90.9Very high93.3Very high36 Ų3666 Ų6619%0.18534%0.344CS..  trans-119.4124.2-176.5-52.7169.9000108.4W81 F82 M85 R86 A90 M96 I97W81-I92 HydrophobicContact CH2-CG2 4.06Å; W81-I92 HydrophobicContact CZ3-CG2 3.93Å; F82-I92 HydrophobicContact CD2-CD1 3.68Å; F82-I92 HydrophobicContact CD2-CG2 4.25Å; F82-I92 HydrophobicContact CE2-CD1 3.93Å; F82-I92 HydrophobicContact CE2-CG2 4.5Å; F82-I92 HydrophobicContact CG-CD1 4.48Å; M85-I92 HydrophobicContact CB-CD1 3.39Å; M85-I92 HydrophobicContact CB-CG1 4.03Å; M85-I92 HydrophobicContact CG-CD1 4.5Å; R86-I92 HydrophobicContact CG-CD1 3.82Å; A90-I92 HydrophobicContact CB-CG1 4.47Å; I92-M96 HydrophobicContact CG2-CB 4.39Å; I92-I97 HydrophobicContact CG2-CD1 4.07Å; I92-I97 HydrophobicContact CG2-CG1 3.73Å
93C91.8Very high93.3Very high65 Ų6570 Ų7044%0.43936%0.361SS..  trans-103.6162.7172.170.30000111.3M96 I97C93-M96 WeakPolarHBondContact O-CB 3.36Å; C93-M96 PolarHBondContact O-N 3.01Å; C93-M96 VanDerWaalsContact O-N 3.11Å; C93-M96 VanDerWaalsContact SG-CG 3.54Å; C93-I97 PolarHBondContact O-N 3.23Å
94G93.5Very high93.4Very high17 Ų1765.7 Ų65.718%0.17534%0.343CS..Hα-helixtrans-50.8-48.4178.200000114.2M96 I97 Q98G94-M96 VanDerWaalsContact C-N 3.27Å; G94-M96 PolarHBondContact O-N 3.24Å; G94-I97 WeakPolarHBondContact O-CB 3.18Å; G94-I97 PolarHBondContact O-N 3.37Å; G94-I97 VanDerWaalsContact O-N 3.1Å; G94-Q98 PolarHBondContact O-N 2.91Å
95P95.4Very high93.4Very high81 Ų8160.6 Ų60.653%0.52632%0.319SS..Hα-helixtrans-55.1-35.9176.3-30.936.9000115Q98 E99P95-Q98 PolarHBondContact O-N 3.33Å; P95-E99 PolarHBondContact O-N 3.21Å
96M96.2Very high93.4Very high66 Ų6662.4 Ų62.433%0.32533%0.333SS..Hα-helixtrans-66.5-40.8177-66.1168.477.900111.6W81 I92 C93 G94 Q98 E99 I100W81-M96 HydrophobicContact CH2-CB 4.08Å; I92-M96 HydrophobicContact CG2-CB 4.39Å; C93-M96 WeakPolarHBondContact O-CB 3.36Å; C93-M96 PolarHBondContact O-N 3.01Å; C93-M96 VanDerWaalsContact O-N 3.11Å; C93-M96 VanDerWaalsContact SG-CG 3.54Å; G94-M96 VanDerWaalsContact C-N 3.27Å; G94-M96 PolarHBondContact O-N 3.24Å; M96-Q98 VanDerWaalsContact C-N 3.29Å; M96-Q98 PolarHBondContact O-N 3.36Å; M96-E99 PolarHBondContact O-N 2.94Å; M96-I100 PolarHBondContact O-N 3.34Å
97I96.8Very high93.6Very high5 Ų565.1 Ų65.13%0.02635%0.349CS..Hα-helixtrans-64.4-36.7174.8-61.5166.3000110.5W81 F82 I92 C93 G94 I100 A101 W119 L120 F123W81-I97 HydrophobicContact CZ3-CG1 4.15Å; F82-I97 HydrophobicContact CD2-CD1 4.02Å; F82-I97 HydrophobicContact CD2-CG1 4.38Å; F82-I97 HydrophobicContact CE2-CD1 4.31Å; I92-I97 HydrophobicContact CG2-CD1 4.07Å; I92-I97 HydrophobicContact CG2-CG1 3.73Å; C93-I97 PolarHBondContact O-N 3.23Å; G94-I97 WeakPolarHBondContact O-CB 3.18Å; G94-I97 PolarHBondContact O-N 3.37Å; G94-I97 VanDerWaalsContact O-N 3.1Å; I97-I100 WeakPolarHBondContact O-CG2 3.42Å; I97-A101 VanDerWaalsContact O-CB 3.24Å; I97-A101 WeakPolarHBondContact O-CB 3.48Å; I97-A101 PolarHBondContact O-N 2.92Å; I97-A101 VanDerWaalsContact O-N 3.11Å; I97-W119 HydrophobicContact CG2-CH2 4.06Å; I97-W119 HydrophobicContact CG2-CZ3 4.19Å; I97-L120 HydrophobicContact CB-CD1 4.03Å; I97-L120 HydrophobicContact CD1-CD1 4.38Å; I97-L120 HydrophobicContact CG2-CD1 3.85Å; I97-F123 HydrophobicContact CG2-CD1 4.07Å; I97-F123 HydrophobicContact CG2-CE1 3.8Å; I97-F123 HydrophobicContact CG2-CZ 4.4Å
98Q97.4Very high93.8Very high20 Ų2064.9 Ų64.99%0.09333%0.333CS..Hα-helixtrans-67.4-40.2175.3-65.8172.6-64.100111.4G94 P95 M96 R102 A115 N117 W119 L120G94-Q98 PolarHBondContact O-N 2.91Å; P95-Q98 PolarHBondContact O-N 3.33Å; M96-Q98 VanDerWaalsContact C-N 3.29Å; M96-Q98 PolarHBondContact O-N 3.36Å; Q98-R102 WeakPolarHBondContact O-CG 3.48Å; Q98-R102 PolarHBondContact O-N 3.25Å; Q98-A115 HydrophobicContact CB-CB 3.88Å; Q98-A115 HydrophobicContact CG-CB 4.27Å; Q98-A115 VanDerWaalsContact CG-O 3.29Å; Q98-A115 WeakPolarHBondContact CG-O 3.42Å; Q98-A115 PolarHBondContact NE2-O 3.29Å; Q98-A115 WeakPolarHBondContact O-CB 3.36Å; Q98-N117 PolarHBondContact NE2-OD1 3.04Å; Q98-N117 VanDerWaalsContact NE2-OD1 3.1Å; Q98-W119 HydrophobicContact CG-CZ3 4.38Å; Q98-L120 HydrophobicContact CG-CB 4.15Å; Q98-L120 HydrophobicContact CG-CD1 4.41Å; Q98-L120 HydrophobicContact CG-CD2 4.05Å; Q98-L120 HydrophobicContact CG-CG 4.42Å
99E97Very high93.9Very high88 Ų8864 Ų6441%0.41133%0.332SS..Hα-helixtrans-63-49.3177.6-168.7-169.5149.800112.2P95 M96 A101 R102 K103P95-E99 PolarHBondContact O-N 3.21Å; M96-E99 PolarHBondContact O-N 2.94Å; E99-A101 VanDerWaalsContact C-N 3.31Å; E99-A101 PolarHBondContact O-N 2.94Å; E99-R102 PolarHBondContact O-N 2.99Å; E99-K103 PolarHBondContact O-N 2.96Å; E99-K103 VanDerWaalsContact OE1-CE 3.25Å; E99-K103 WeakPolarHBondContact OE1-CE 3.36Å; E99-K103 IonicContact OE1-NZ 3.13Å; E99-K103 PolarHBondContact OE1-NZ 3.27Å
100I96.9Very high94.3Very high26 Ų2661.9 Ų61.913%0.13332%0.318CS..Hα-helixtrans-66.3-36.3-179.6-160.972.2000111.8A78 W81 M96 I97 R102 K103 F104A78-I100 HydrophobicContact CB-CG2 4.49Å; W81-I100 HydrophobicContact CB-CG1 4.22Å; W81-I100 HydrophobicContact CD2-CB 4.08Å; W81-I100 HydrophobicContact CD2-CD1 4.44Å; W81-I100 HydrophobicContact CD2-CG1 3.78Å; W81-I100 HydrophobicContact CD2-CG2 3.78Å; W81-I100 HydrophobicContact CE3-CB 4.26Å; W81-I100 HydrophobicContact CE3-CG1 4.41Å; W81-I100 HydrophobicContact CE3-CG2 3.52Å; W81-I100 HydrophobicContact CG-CB 4.46Å; W81-I100 HydrophobicContact CG-CD1 4.24Å; W81-I100 HydrophobicContact CG-CG1 3.67Å; W81-I100 HydrophobicContact CG-CG2 4.32Å; W81-I100 HydrophobicContact CH2-CG2 4.46Å; W81-I100 HydrophobicContact CZ3-CG2 3.9Å; M96-I100 PolarHBondContact O-N 3.34Å; I97-I100 WeakPolarHBondContact O-CG2 3.42Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.39Å; I100-K103 HydrophobicContact CD1-CD 4.36Å; I100-K103 PolarHBondContact O-N 2.99Å; I100-F104 HydrophobicContact CD1-CE2 4.27Å; I100-F104 HydrophobicContact CD1-CZ 4.44Å; I100-F104 HydrophobicContact CG1-CD2 3.96Å; I100-F104 HydrophobicContact CG1-CE2 3.47Å; I100-F104 VanDerWaalsContact CG1-CE2 3.47Å; I100-F104 HydrophobicContact CG1-CZ 4.09Å; I100-F104 VanDerWaalsContact O-CD2 3.25Å; I100-F104 WeakPolarHBondContact O-CD2 3.24Å; I100-F104 PolarHBondContact O-N 2.96Å
101A97Very high94.4Very high0 Ų066.7 Ų66.70%035%0.345CS..Hα-helixtrans-65.8-35.9175.400000112.1V74 A78 I97 E99 A105 F113 A115 W119V74-A101 HydrophobicContact CG1-CB 4.12Å; V74-A101 VanDerWaalsContact CG1-O 3.25Å; V74-A101 WeakPolarHBondContact CG1-O 3.37Å; A78-A101 HydrophobicContact CB-CB 4.1Å; I97-A101 VanDerWaalsContact O-CB 3.24Å; I97-A101 WeakPolarHBondContact O-CB 3.48Å; I97-A101 PolarHBondContact O-N 2.92Å; I97-A101 VanDerWaalsContact O-N 3.11Å; E99-A101 VanDerWaalsContact C-N 3.31Å; E99-A101 PolarHBondContact O-N 2.94Å; A101-A105 VanDerWaalsContact O-CB 3.26Å; A101-A105 WeakPolarHBondContact O-CB 3.36Å; A101-A105 PolarHBondContact O-N 3.39Å; A101-F113 HydrophobicContact CB-CE1 3.85Å; A101-F113 HydrophobicContact CB-CZ 4.46Å; A101-A115 HydrophobicContact CB-CB 4.34Å; A101-W119 HydrophobicContact CB-CH2 3.27Å; A101-W119 HydrophobicContact CB-CZ2 3.8Å; A101-W119 HydrophobicContact CB-CZ3 3.81Å
102R97.2Very high94.5Very high95 Ų9560.1 Ų60.136%0.35834%0.339SS..Hα-helixtrans-65-41.8171.1-74-173.1-60.3-94.2-1.2111.9Q98 E99 I100 A105 V106 A115Q98-R102 WeakPolarHBondContact O-CG 3.48Å; Q98-R102 PolarHBondContact O-N 3.25Å; E99-R102 PolarHBondContact O-N 2.99Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.39Å; R102-A105 WeakPolarHBondContact O-CB 3.48Å; R102-A105 PolarHBondContact O-N 3.32Å; R102-V106 WeakPolarHBondContact O-CG2 3.41Å; R102-V106 PolarHBondContact O-N 3.33Å; R102-A115 HydrophobicContact CG-CB 3.77Å
103K96.7Very high94.7Very high117 Ų11759.8 Ų59.851%0.50934%0.336SS..Hα-helixtrans-59.3-51176.8-72178.8-177.8168.80111.3E99 I100 A105 V106 E107E99-K103 PolarHBondContact O-N 2.96Å; E99-K103 VanDerWaalsContact OE1-CE 3.25Å; E99-K103 WeakPolarHBondContact OE1-CE 3.36Å; E99-K103 IonicContact OE1-NZ 3.13Å; E99-K103 PolarHBondContact OE1-NZ 3.27Å; I100-K103 HydrophobicContact CD1-CD 4.36Å; I100-K103 PolarHBondContact O-N 2.99Å; K103-A105 VanDerWaalsContact C-N 3.29Å; K103-A105 PolarHBondContact O-N 2.91Å; K103-V106 PolarHBondContact O-N 3.34Å; K103-E107 PolarHBondContact O-N 3.02Å
104F96.8Very high94.8Very high40 Ų4063.2 Ų63.218%0.17535%0.346CS..Hα-helixtrans-62.2-36.3175.6-70.3-49.3000112.9V74 A77 W81 I100 E107 F108V74-F104 HydrophobicContact CG1-CB 4.48Å; A77-F104 VanDerWaalsContact C-CE2 3.47Å; A77-F104 HydrophobicContact CB-CB 4.17Å; A77-F104 HydrophobicContact CB-CD1 3.91Å; A77-F104 HydrophobicContact CB-CD2 3.55Å; A77-F104 HydrophobicContact CB-CE1 4.15Å; A77-F104 HydrophobicContact CB-CE2 3.79Å; A77-F104 HydrophobicContact CB-CG 3.62Å; A77-F104 HydrophobicContact CB-CZ 4.1Å; A77-F104 WeakPolarHBondContact O-CE2 3.26Å; W81-F104 HydrophobicContact CB-CE2 4.04Å; W81-F104 HydrophobicContact CB-CZ 4.35Å; I100-F104 HydrophobicContact CD1-CE2 4.27Å; I100-F104 HydrophobicContact CD1-CZ 4.44Å; I100-F104 HydrophobicContact CG1-CD2 3.96Å; I100-F104 HydrophobicContact CG1-CE2 3.47Å; I100-F104 VanDerWaalsContact CG1-CE2 3.47Å; I100-F104 HydrophobicContact CG1-CZ 4.09Å; I100-F104 VanDerWaalsContact O-CD2 3.25Å; I100-F104 WeakPolarHBondContact O-CD2 3.24Å; I100-F104 PolarHBondContact O-N 2.96Å; F104-E107 PolarHBondContact O-N 3.22Å; F104-F108 HydrophobicContact CB-CD2 4.34Å; F104-F108 HydrophobicContact CB-CE2 3.93Å; F104-F108 HydrophobicContact CB-CZ 4.48Å; F104-F108 HydrophobicContact CD1-CZ 4.41Å; F104-F108 WeakPolarHBondContact O-CB 3.33Å; F104-F108 WeakPolarHBondContact O-CD2 3.47Å; F104-F108 WeakPolarHBondContact O-CG 3.5Å; F104-F108 PolarHBondContact O-N 3Å
105A96Very high94.8Very high0 Ų062.4 Ų62.40%034%0.338CS..Hα-helixtrans-62.2-44.3175.800000112.1V74 A101 R102 K103 F108 G109 F110 F113V74-A105 HydrophobicContact CG1-CB 4.24Å; V74-A105 HydrophobicContact CG2-CB 3.91Å; A101-A105 VanDerWaalsContact O-CB 3.26Å; A101-A105 WeakPolarHBondContact O-CB 3.36Å; A101-A105 PolarHBondContact O-N 3.39Å; R102-A105 WeakPolarHBondContact O-CB 3.48Å; R102-A105 PolarHBondContact O-N 3.32Å; K103-A105 VanDerWaalsContact C-N 3.29Å; K103-A105 PolarHBondContact O-N 2.91Å; A105-F108 CarbonylContact O-C 3.4Å; A105-F108 PolarHBondContact O-N 3.37Å; A105-G109 PolarHBondContact O-N 2.93Å; A105-G109 VanDerWaalsContact O-N 3.15Å; A105-F110 HydrophobicContact CB-CB 4.06Å; A105-F110 WeakPolarHBondContact O-CA 3.38Å; A105-F110 WeakPolarHBondContact O-CB 3.45Å; A105-F110 PolarHBondContact O-N 3.05Å; A105-F113 HydrophobicContact CB-CB 3.62Å; A105-F113 HydrophobicContact CB-CD1 3.38Å; A105-F113 HydrophobicContact CB-CE1 4.32Å; A105-F113 HydrophobicContact CB-CG 3.83Å
106V95.2Very high94.9Very high96 Ų9661.7 Ų61.758%0.58234%0.335SS*.Hα-helixtrans-62.2-45174.9173.60000111R102 K103 F108 G109R102-V106 WeakPolarHBondContact O-CG2 3.41Å; R102-V106 PolarHBondContact O-N 3.33Å; K103-V106 PolarHBondContact O-N 3.34Å; V106-F108 VanDerWaalsContact C-N 3.26Å; V106-F108 PolarHBondContact O-N 3.24Å; V106-G109 PolarHBondContact O-N 3.31Å
107E94.7Very high94.9Very high142 Ų14264.5 Ų64.566%0.66435%0.351SS*.Hα-helixtrans-59.7-35.9177.8-170.7177.7173.500112.5K103 F104 G109K103-E107 PolarHBondContact O-N 3.02Å; F104-E107 PolarHBondContact O-N 3.22Å; E107-G109 VanDerWaalsContact C-N 3.32Å
108F94.4Very high94.8Very high76 Ų7666.2 Ų66.233%0.33337%0.37SS..THydrogen-bonded Turntrans-88.58.9175.7-55.4-31.1000113.9Q73 V74 A77 F104 A105 V106 F110Q73-F108 HydrophobicContact CB-CD2 3.92Å; Q73-F108 HydrophobicContact CB-CE2 4.03Å; V74-F108 HydrophobicContact CG2-CD2 3.85Å; A77-F108 HydrophobicContact CB-CE2 3.87Å; A77-F108 HydrophobicContact CB-CZ 4.03Å; F104-F108 HydrophobicContact CB-CD2 4.34Å; F104-F108 HydrophobicContact CB-CE2 3.93Å; F104-F108 HydrophobicContact CB-CZ 4.48Å; F104-F108 HydrophobicContact CD1-CZ 4.41Å; F104-F108 WeakPolarHBondContact O-CB 3.33Å; F104-F108 WeakPolarHBondContact O-CD2 3.47Å; F104-F108 WeakPolarHBondContact O-CG 3.5Å; F104-F108 PolarHBondContact O-N 3Å; A105-F108 CarbonylContact O-C 3.4Å; A105-F108 PolarHBondContact O-N 3.37Å; V106-F108 VanDerWaalsContact C-N 3.26Å; V106-F108 PolarHBondContact O-N 3.24Å; F108-F110 HydrophobicContact CB-CD2 3.75Å; F108-F110 HydrophobicContact CB-CE2 3.66Å
109G92.6Very high94.7Very high56 Ų5666.8 Ų66.858%0.57737%0.371SS*.THydrogen-bonded Turntrans82.29.5175.700000116A105 V106 E107 T111A105-G109 PolarHBondContact O-N 2.93Å; A105-G109 VanDerWaalsContact O-N 3.15Å; V106-G109 PolarHBondContact O-N 3.31Å; E107-G109 VanDerWaalsContact C-N 3.32Å; G109-T111 PolarHBondContact O-N 3.27Å
110F91.4Very high94.6Very high52 Ų5263.2 Ų63.223%0.22836%0.355CS..  trans-9172.3176.6-55.1-65.3000112.2S70 L71 V74 A105 F108 G112 F113S70-F110 WeakPolarHBondContact O-CE2 3.17Å; S70-F110 WeakPolarHBondContact O-CZ 3.38Å; L71-F110 HydrophobicContact CD2-CG 4.36Å; V74-F110 HydrophobicContact CG2-CD2 3.81Å; V74-F110 HydrophobicContact CG2-CE2 4.26Å; A105-F110 HydrophobicContact CB-CB 4.06Å; A105-F110 WeakPolarHBondContact O-CA 3.38Å; A105-F110 WeakPolarHBondContact O-CB 3.45Å; A105-F110 PolarHBondContact O-N 3.05Å; F108-F110 HydrophobicContact CB-CD2 3.75Å; F108-F110 HydrophobicContact CB-CE2 3.66Å; F110-G112 PolarHBondContact O-N 3.38Å; F110-F113 HydrophobicContact CB-CB 4.36Å; F110-F113 PolarHBondContact O-N 3.21Å
111T87.1Confident94.5Very high124 Ų12464.4 Ų64.476%0.76137%0.369SS*.THydrogen-bonded Turntrans-65.6-19.5-17754.80000114.8G109G109-T111 PolarHBondContact O-N 3.27Å
112G90.6Very high94.3Very high60 Ų6071.6 Ų71.662%0.61940%0.4SS*.THydrogen-bonded Turntrans-89.3-1.9178.700000115.6F110 Q114F110-G112 PolarHBondContact O-N 3.38Å; G112-Q114 PolarHBondContact O-N 2.97Å
113F94.2Very high94.2Very high29 Ų2967.2 Ų67.213%0.12738%0.384CS..  trans-77117.9-174.2179-109.9000112.5L71 V74 A101 A105 F110 A115 W119L71-F113 HydrophobicContact CD1-CD2 4.34Å; L71-F113 HydrophobicContact CD2-CB 4.37Å; L71-F113 HydrophobicContact CD2-CD2 3.63Å; L71-F113 HydrophobicContact CD2-CE2 4.14Å; L71-F113 HydrophobicContact CD2-CG 4.09Å; V74-F113 HydrophobicContact CG1-CD1 4.34Å; V74-F113 HydrophobicContact CG1-CE1 3.87Å; V74-F113 HydrophobicContact CG1-CZ 4.3Å; A101-F113 HydrophobicContact CB-CE1 3.85Å; A101-F113 HydrophobicContact CB-CZ 4.46Å; A105-F113 HydrophobicContact CB-CB 3.62Å; A105-F113 HydrophobicContact CB-CD1 3.38Å; A105-F113 HydrophobicContact CB-CE1 4.32Å; A105-F113 HydrophobicContact CB-CG 3.83Å; F110-F113 HydrophobicContact CB-CB 4.36Å; F110-F113 PolarHBondContact O-N 3.21Å; F113-A115 HydrophobicContact CD1-CB 4.26Å; F113-A115 HydrophobicContact CE1-CB 3.54Å; F113-A115 HydrophobicContact CZ-CB 3.86Å; F113-W119 AromaticContact CE2-CD1 3.83Å; F113-W119 HydrophobicContact CE2-CD2 4.36Å; F113-W119 HydrophobicContact CE2-CG 4.07Å; F113-W119 AromaticContact CZ-CD1 3.86Å; F113-W119 AromaticContact CZ-CD2 3.71Å; F113-W119 HydrophobicContact CZ-CD2 3.71Å; F113-W119 AromaticContact CZ-CE2 3.62Å; F113-W119 HydrophobicContact CZ-CE3 4.3Å; F113-W119 AromaticContact CZ-CG 3.91Å; F113-W119 HydrophobicContact CZ-CG 3.91Å; F113-W119 HydrophobicContact CZ-CZ2 4.15Å; F113-W119 AromaticContact CZ-NE1 3.67Å
114Q93.6Very high94.1Very high137 Ų13764.8 Ų64.864%0.6437%0.373SS*.  trans-91.9-10.6-174.7-63.2-59.7-41.100114.6G112 S116G112-Q114 PolarHBondContact O-N 2.97Å; Q114-S116 VanDerWaalsContact C-N 3.28Å; Q114-S116 PolarHBondContact O-N 3.1Å
115A94.6Very high93.8Very high1 Ų169.8 Ų69.81%0.00840%0.401CS..  trans46.450.6-169.200000112.5Q98 A101 R102 F113 W119Q98-A115 HydrophobicContact CB-CB 3.88Å; Q98-A115 HydrophobicContact CG-CB 4.27Å; Q98-A115 VanDerWaalsContact CG-O 3.29Å; Q98-A115 WeakPolarHBondContact CG-O 3.42Å; Q98-A115 PolarHBondContact NE2-O 3.29Å; Q98-A115 WeakPolarHBondContact O-CB 3.36Å; A101-A115 HydrophobicContact CB-CB 4.34Å; R102-A115 HydrophobicContact CG-CB 3.77Å; F113-A115 HydrophobicContact CD1-CB 4.26Å; F113-A115 HydrophobicContact CE1-CB 3.54Å; F113-A115 HydrophobicContact CZ-CB 3.86Å; A115-W119 HydrophobicContact CB-CE3 3.91Å; A115-W119 HydrophobicContact CB-CZ3 4.12Å
116S95.7Very high93.6Very high65 Ų6575.4 Ų75.446%0.45542%0.422SS..  trans-59.3164.8-17371.90000113.5Q114 G118 W119 L120Q114-S116 VanDerWaalsContact C-N 3.28Å; Q114-S116 PolarHBondContact O-N 3.1Å; S116-G118 PolarHBondContact O-N 3.1Å; S116-W119 WeakPolarHBondContact O-CA 3.25Å; S116-W119 WeakPolarHBondContact O-CB 3.46Å; S116-W119 PolarHBondContact O-N 3.11Å; S116-W119 PolarHBondContact OG-N 3.41Å; S116-L120 PolarHBondContact O-N 2.92Å
117N96.1Very high93.5Very high126 Ų12673.1 Ų73.167%0.67440%0.403SS*.Hα-helixtrans-57.4-35.7175-68.7-18.6000112.2Q98 L120 A121Q98-N117 PolarHBondContact NE2-OD1 3.04Å; Q98-N117 VanDerWaalsContact NE2-OD1 3.1Å; N117-L120 PolarHBondContact O-N 2.79Å; N117-A121 WeakPolarHBondContact O-CB 3.33Å; N117-A121 PolarHBondContact O-N 3.26Å
118G94.7Very high93.4Very high41 Ų4175 Ų7542%0.42341%0.412SS..Hα-helixtrans-67.1-36.7174.600000113S116 K122S116-G118 PolarHBondContact O-N 3.1Å; G118-K122 WeakPolarHBondContact O-CG 3.48Å; G118-K122 PolarHBondContact O-N 3.25Å; G118-K122 VanDerWaalsContact O-N 3.13Å
119W95.2Very high93.3Very high31 Ų3172.8 Ų72.812%0.11740%0.403CS..Hα-helixtrans-64.2-48.8170.9171.386.1000110.8N75 A78 I97 Q98 A101 F113 A115 S116 A121 K122 F123N75-W119 PolarHBondContact OD1-NE1 3.25Å; A78-W119 HydrophobicContact CB-CH2 4.48Å; I97-W119 HydrophobicContact CG2-CH2 4.06Å; I97-W119 HydrophobicContact CG2-CZ3 4.19Å; Q98-W119 HydrophobicContact CG-CZ3 4.38Å; A101-W119 HydrophobicContact CB-CH2 3.27Å; A101-W119 HydrophobicContact CB-CZ2 3.8Å; A101-W119 HydrophobicContact CB-CZ3 3.81Å; F113-W119 AromaticContact CE2-CD1 3.83Å; F113-W119 HydrophobicContact CE2-CD2 4.36Å; F113-W119 HydrophobicContact CE2-CG 4.07Å; F113-W119 AromaticContact CZ-CD1 3.86Å; F113-W119 AromaticContact CZ-CD2 3.71Å; F113-W119 HydrophobicContact CZ-CD2 3.71Å; F113-W119 AromaticContact CZ-CE2 3.62Å; F113-W119 HydrophobicContact CZ-CE3 4.3Å; F113-W119 AromaticContact CZ-CG 3.91Å; F113-W119 HydrophobicContact CZ-CG 3.91Å; F113-W119 HydrophobicContact CZ-CZ2 4.15Å; F113-W119 AromaticContact CZ-NE1 3.67Å; A115-W119 HydrophobicContact CB-CE3 3.91Å; A115-W119 HydrophobicContact CB-CZ3 4.12Å; S116-W119 WeakPolarHBondContact O-CA 3.25Å; S116-W119 WeakPolarHBondContact O-CB 3.46Å; S116-W119 PolarHBondContact O-N 3.11Å; S116-W119 PolarHBondContact OG-N 3.41Å; W119-A121 VanDerWaalsContact C-N 3.31Å; W119-A121 PolarHBondContact O-N 3.45Å; W119-K122 CarbonylContact O-C 3.57Å; W119-K122 PolarHBondContact O-N 3.11Å; W119-K122 VanDerWaalsContact O-N 3.13Å; W119-F123 HydrophobicContact CD2-CB 4.47Å; W119-F123 HydrophobicContact CH2-CB 4.34Å; W119-F123 AromaticContact CH2-CD2 3.95Å; W119-F123 HydrophobicContact CH2-CD2 3.95Å; W119-F123 HydrophobicContact CH2-CE2 4.41Å; W119-F123 HydrophobicContact CH2-CG 4.03Å; W119-F123 HydrophobicContact CZ2-CB 4.17Å; W119-F123 AromaticContact CZ2-CD2 3.58Å; W119-F123 HydrophobicContact CZ2-CD2 3.58Å; W119-F123 HydrophobicContact CZ2-CE2 4.2Å; W119-F123 AromaticContact CZ2-CG 3.99Å; W119-F123 HydrophobicContact CZ2-CG 3.99Å; W119-F123 VanDerWaalsContact O-CB 3.31Å; W119-F123 WeakPolarHBondContact O-CB 3.29Å; W119-F123 PolarHBondContact O-N 3Å
120L96.3Very high93.1Very high13 Ų1373.8 Ų73.87%0.06840%0.401CS..Hα-helixtrans-59.8-40.8179.6178.965.4000111.8I97 Q98 S116 N117 F123 K124I97-L120 HydrophobicContact CB-CD1 4.03Å; I97-L120 HydrophobicContact CD1-CD1 4.38Å; I97-L120 HydrophobicContact CG2-CD1 3.85Å; Q98-L120 HydrophobicContact CG-CB 4.15Å; Q98-L120 HydrophobicContact CG-CD1 4.41Å; Q98-L120 HydrophobicContact CG-CD2 4.05Å; Q98-L120 HydrophobicContact CG-CG 4.42Å; S116-L120 PolarHBondContact O-N 2.92Å; N117-L120 PolarHBondContact O-N 2.79Å; L120-F123 PolarHBondContact O-N 3.02Å; L120-K124 HydrophobicContact CD1-CG 4.4Å; L120-K124 WeakPolarHBondContact O-CB 3.47Å; L120-K124 WeakPolarHBondContact O-CG 3.4Å; L120-K124 PolarHBondContact O-N 3.45Å
121A94.8Very high92.7Very high52 Ų5279.8 Ų79.843%0.4343%0.43SS..Hα-helixtrans-61-47175.200000111.8N117 W119 K124 L125N117-A121 WeakPolarHBondContact O-CB 3.33Å; N117-A121 PolarHBondContact O-N 3.26Å; W119-A121 VanDerWaalsContact C-N 3.31Å; W119-A121 PolarHBondContact O-N 3.45Å; A121-K124 PolarHBondContact O-N 3.2Å; A121-L125 WeakPolarHBondContact O-CB 3.46Å; A121-L125 PolarHBondContact O-N 3.01Å
122K93.3Very high92.4Very high150 Ų15081.7 Ų81.765%0.65243%0.428SS*.Hα-helixtrans-66.1-37.1176.4-72.4177.9-179.1179.40112.6G118 W119 L125 R126G118-K122 WeakPolarHBondContact O-CG 3.48Å; G118-K122 PolarHBondContact O-N 3.25Å; G118-K122 VanDerWaalsContact O-N 3.13Å; W119-K122 CarbonylContact O-C 3.57Å; W119-K122 PolarHBondContact O-N 3.11Å; W119-K122 VanDerWaalsContact O-N 3.13Å; K122-L125 PolarHBondContact O-N 3.43Å; K122-R126 WeakPolarHBondContact O-CB 3.3Å; K122-R126 PolarHBondContact O-N 3.11Å
123F94.3Very high91.6Very high3 Ų387 Ų871%0.01344%0.44CS..Hα-helixtrans-61.9-50.7176.3177.9-92.4000110.5N75 A78 L79 I97 W119 L120 L125 R126 Y127 I129N75-F123 WeakPolarHBondContact O-CE2 3.47Å; A78-F123 HydrophobicContact CB-CE2 4.02Å; A78-F123 HydrophobicContact CB-CZ 4.12Å; L79-F123 HydrophobicContact CB-CE2 4.43Å; L79-F123 HydrophobicContact CB-CZ 4.19Å; I97-F123 HydrophobicContact CG2-CD1 4.07Å; I97-F123 HydrophobicContact CG2-CE1 3.8Å; I97-F123 HydrophobicContact CG2-CZ 4.4Å; W119-F123 HydrophobicContact CD2-CB 4.47Å; W119-F123 HydrophobicContact CH2-CB 4.34Å; W119-F123 AromaticContact CH2-CD2 3.95Å; W119-F123 HydrophobicContact CH2-CD2 3.95Å; W119-F123 HydrophobicContact CH2-CE2 4.41Å; W119-F123 HydrophobicContact CH2-CG 4.03Å; W119-F123 HydrophobicContact CZ2-CB 4.17Å; W119-F123 AromaticContact CZ2-CD2 3.58Å; W119-F123 HydrophobicContact CZ2-CD2 3.58Å; W119-F123 HydrophobicContact CZ2-CE2 4.2Å; W119-F123 AromaticContact CZ2-CG 3.99Å; W119-F123 HydrophobicContact CZ2-CG 3.99Å; W119-F123 VanDerWaalsContact O-CB 3.31Å; W119-F123 WeakPolarHBondContact O-CB 3.29Å; W119-F123 PolarHBondContact O-N 3Å; L120-F123 PolarHBondContact O-N 3.02Å; F123-L125 VanDerWaalsContact C-N 3.34Å; F123-L125 PolarHBondContact O-N 2.98Å; F123-R126 PolarHBondContact O-N 3.39Å; F123-Y127 HydrophobicContact CD1-CD2 4.45Å; F123-Y127 AromaticContact CD2-CD2 3.69Å; F123-Y127 HydrophobicContact CD2-CD2 3.69Å; F123-Y127 AromaticContact CD2-CE2 3.59Å; F123-Y127 HydrophobicContact CD2-CE2 3.59Å; F123-Y127 HydrophobicContact CE1-CD2 4.35Å; F123-Y127 AromaticContact CE2-CD2 3.57Å; F123-Y127 HydrophobicContact CE2-CD2 3.57Å; F123-Y127 AromaticContact CE2-CE2 3.45Å; F123-Y127 HydrophobicContact CE2-CE2 3.45Å; F123-Y127 VanDerWaalsContact CE2-CE2 3.45Å; F123-Y127 HydrophobicContact CG-CD2 4.14Å; F123-Y127 HydrophobicContact CG-CE2 4.44Å; F123-Y127 AromaticContact CZ-CD2 3.92Å; F123-Y127 HydrophobicContact CZ-CD2 3.92Å; F123-Y127 HydrophobicContact CZ-CE2 4.22Å; F123-Y127 WeakPolarHBondContact O-CD2 3.42Å; F123-Y127 PolarHBondContact O-N 3.35Å; F123-I129 HydrophobicContact CD1-CD1 4.1Å; F123-I129 HydrophobicContact CE1-CD1 3.54Å; F123-I129 HydrophobicContact CZ-CD1 4.38Å
124K94.8Very high90.2Very high67 Ų6789.4 Ų89.429%0.29145%0.454SS..Hα-helixtrans-58.5-45.2175.3-73.2-174.1-65.6-177.50112L120 A121 Q128 I129L120-K124 HydrophobicContact CD1-CG 4.4Å; L120-K124 WeakPolarHBondContact O-CB 3.47Å; L120-K124 WeakPolarHBondContact O-CG 3.4Å; L120-K124 PolarHBondContact O-N 3.45Å; A121-K124 PolarHBondContact O-N 3.2Å; K124-Q128 CarbonylContact O-C 3.57Å; K124-Q128 WeakPolarHBondContact O-CA 3.42Å; K124-Q128 PolarHBondContact O-N 3.03Å; K124-I129 HydrophobicContact CB-CB 4.27Å; K124-I129 HydrophobicContact CG-CB 4.13Å; K124-I129 HydrophobicContact CG-CG2 4.32Å; K124-I129 PolarHBondContact O-N 3.19Å
125L91.1Very high88.7Confident144 Ų14487.1 Ų87.175%0.75445%0.452SS*.Hα-helixtrans-62.9-44.9177.3-17764.7000112A121 K122 F123 Y127 Q128A121-L125 WeakPolarHBondContact O-CB 3.46Å; A121-L125 PolarHBondContact O-N 3.01Å; K122-L125 PolarHBondContact O-N 3.43Å; F123-L125 VanDerWaalsContact C-N 3.34Å; F123-L125 PolarHBondContact O-N 2.98Å; L125-Y127 VanDerWaalsContact C-N 3.33Å; L125-Y127 PolarHBondContact O-N 2.68Å; L125-Q128 PolarHBondContact O-N 3.47Å
126R91.8Very high87.1Confident119 Ų11989.5 Ų89.545%0.44948%0.477SS..Hα-helixtrans-61.9-39.5-178.5-179.9-178.5-66.2-165.4-0.7112.4D72 N75 K122 F123D72-R126 IonicContact OD1-NH1 3.72Å; D72-R126 PolarHBondContact OD1-NH1 3.29Å; D72-R126 VanDerWaalsContact OD1-NH1 3.1Å; N75-R126 PolarHBondContact ND2-NH1 3.16Å; K122-R126 WeakPolarHBondContact O-CB 3.3Å; K122-R126 PolarHBondContact O-N 3.11Å; F123-R126 PolarHBondContact O-N 3.39Å
127Y92.5Very high85.5Confident48 Ų4893.4 Ų93.419%0.18849%0.488CS..THydrogen-bonded Turntrans-107.815-175.8-58.9-65.6000113.4N75 E76 L79 F123 L125 I129N75-Y127 HydrophobicContact CB-CE2 4.29Å; E76-Y127 PolarHBondContact OE1-OH 2.91Å; L79-Y127 HydrophobicContact CB-CE2 4.5Å; L79-Y127 HydrophobicContact CD1-CD1 4.08Å; L79-Y127 HydrophobicContact CD1-CD2 4.24Å; L79-Y127 HydrophobicContact CD1-CG 3.8Å; L79-Y127 HydrophobicContact CD2-CD1 3.5Å; L79-Y127 HydrophobicContact CD2-CE1 3.52Å; L79-Y127 HydrophobicContact CD2-CG 4.08Å; L79-Y127 HydrophobicContact CG-CD1 4.32Å; L79-Y127 HydrophobicContact CG-CG 4.43Å; F123-Y127 HydrophobicContact CD1-CD2 4.45Å; F123-Y127 AromaticContact CD2-CD2 3.69Å; F123-Y127 HydrophobicContact CD2-CD2 3.69Å; F123-Y127 AromaticContact CD2-CE2 3.59Å; F123-Y127 HydrophobicContact CD2-CE2 3.59Å; F123-Y127 HydrophobicContact CE1-CD2 4.35Å; F123-Y127 AromaticContact CE2-CD2 3.57Å; F123-Y127 HydrophobicContact CE2-CD2 3.57Å; F123-Y127 AromaticContact CE2-CE2 3.45Å; F123-Y127 HydrophobicContact CE2-CE2 3.45Å; F123-Y127 VanDerWaalsContact CE2-CE2 3.45Å; F123-Y127 HydrophobicContact CG-CD2 4.14Å; F123-Y127 HydrophobicContact CG-CE2 4.44Å; F123-Y127 AromaticContact CZ-CD2 3.92Å; F123-Y127 HydrophobicContact CZ-CD2 3.92Å; F123-Y127 HydrophobicContact CZ-CE2 4.22Å; F123-Y127 WeakPolarHBondContact O-CD2 3.42Å; F123-Y127 PolarHBondContact O-N 3.35Å; L125-Y127 VanDerWaalsContact C-N 3.33Å; L125-Y127 PolarHBondContact O-N 2.68Å; Y127-I129 VanDerWaalsContact C-N 3.28Å; Y127-I129 PolarHBondContact O-N 3.01Å
128Q91.8Very high83.8Confident182 Ų18292 Ų9285%0.8549%0.488SS*.THydrogen-bonded Turntrans5439.5175.8-54.6179.626.400113.9K124 L125 S130K124-Q128 CarbonylContact O-C 3.57Å; K124-Q128 WeakPolarHBondContact O-CA 3.42Å; K124-Q128 PolarHBondContact O-N 3.03Å; L125-Q128 PolarHBondContact O-N 3.47Å; Q128-S130 PolarHBondContact O-N 3.43Å
129I92.5Very high82.1Confident28 Ų2899.1 Ų99.114%0.14450%0.502CS..  trans-88.3111.8179.7-58171.7000109.3F82 F123 K124 Y127F82-I129 HydrophobicContact CD1-CD1 3.97Å; F82-I129 HydrophobicContact CD2-CD1 4.5Å; F82-I129 HydrophobicContact CE1-CD1 3.89Å; F82-I129 HydrophobicContact CE1-CG1 4.01Å; F82-I129 HydrophobicContact CE1-CG2 4.38Å; F82-I129 HydrophobicContact CE2-CD1 4.42Å; F82-I129 HydrophobicContact CE2-CG2 4.08Å; F82-I129 HydrophobicContact CG-CD1 4.28Å; F82-I129 HydrophobicContact CZ-CD1 4.13Å; F82-I129 HydrophobicContact CZ-CG1 4.2Å; F82-I129 HydrophobicContact CZ-CG2 3.71Å; F123-I129 HydrophobicContact CD1-CD1 4.1Å; F123-I129 HydrophobicContact CE1-CD1 3.54Å; F123-I129 HydrophobicContact CZ-CD1 4.38Å; K124-I129 HydrophobicContact CB-CB 4.27Å; K124-I129 HydrophobicContact CG-CB 4.13Å; K124-I129 HydrophobicContact CG-CG2 4.32Å; K124-I129 PolarHBondContact O-N 3.19Å; Y127-I129 VanDerWaalsContact C-N 3.28Å; Y127-I129 PolarHBondContact O-N 3.01Å
130S88.9Confident80.9Confident77 Ų77105 Ų10554%0.53853%0.531SS..  trans-97.9145.7173.864.50000112Q128Q128-S130 PolarHBondContact O-N 3.43Å
131Q82.5Confident79.8Confident179 Ų179108.1 Ų108.184%0.83655%0.551SS**  trans-87.2123.1169.5-173.3176.4-48.700109.2
132K80.9Confident79.2Confident163 Ų163109 Ų10971%0.70955%0.552SS**  trans-130.4149.8176.1-63.7-173.7179.4-174.30109.3L134K132-L134 PolarHBondContact O-N 3.03Å
133I73.4Confident78.7Confident172 Ų172106 Ų10688%0.88255%0.546SS*.  trans-69.6122.4166.9-59.8175.8000106.3C135I133-C135 PolarHBondContact O-N 3.43Å
134L65.9Low78.4Confident79 Ų79112.2 Ų112.241%0.41458%0.575SS.*  trans-78.1112.6176.5-66.1169.8000107.8R91 K132 G136R91-L134 HydrophobicContact CG-CD1 4.1Å; K132-L134 PolarHBondContact O-N 3.03Å; L134-G136 PolarHBondContact O-N 2.99Å
135C61.6Low78.1Confident89 Ų89112.8 Ų112.860%0.60158%0.584SS**  trans-73.9118.8167.9-1670000108.4I133 S138I133-C135 PolarHBondContact O-N 3.43Å; C135-S138 PolarHBondContact O-OG 3.39Å
136G60Low77.9Confident51 Ų51110 Ų11053%0.52657%0.569SS.*SBendtrans-68.9-32.6-173.500000113.8L134L134-G136 PolarHBondContact O-N 2.99Å
137E63.7Low77.9Confident147 Ų147109.9 Ų109.969%0.68757%0.574SS**G310 helixtrans-82.1-24.5-162.3-66.1169.8168.900113.4R139 E140E137-R139 PolarHBondContact O-N 3.31Å; E137-E140 PolarHBondContact O-N 3.01Å; E137-E140 VanDerWaalsContact O-N 3.11Å
138S60.1Low77.9Confident97 Ų97111 Ų11168%0.67858%0.583SS**G310 helixtrans-58.5-14.6-174.859.70000116.2C135C135-S138 PolarHBondContact O-OG 3.39Å
139R58.9Low77.9Confident190 Ų190108.5 Ų108.572%0.71757%0.57SS**G310 helixtrans-114.70.6-179-82.8-171.8174.9-168.6-2114.7N89 E137 V141N89-R139 PolarHBondContact OD1-NH1 3.48Å; E137-R139 PolarHBondContact O-N 3.31Å; R139-V141 VanDerWaalsContact C-N 3.33Å
140E68.9Low77.9Confident155 Ų155110.1 Ų110.172%0.72458%0.578SS**THydrogen-bonded Turntrans-76.6-25.8179.7-68-173173.900112.1E137E137-E140 PolarHBondContact O-N 3.01Å; E137-E140 VanDerWaalsContact O-N 3.11Å
141V73.6Confident78.2Confident79 Ų79112 Ų11248%0.47958%0.581SS.*SBendtrans-99.5120.9-177.7-172.40000110.3R139 V145 L146R139-V141 VanDerWaalsContact C-N 3.33Å; V141-V145 HydrophobicContact CG1-CB 3.79Å; V141-V145 HydrophobicContact CG1-CG1 3.71Å; V141-L146 HydrophobicContact CG1-CB 4.36Å
142P82.8Confident78.7Confident69 Ų69108.5 Ų108.545%0.44856%0.563SS.*  trans-57.2148.3171.4-22.532.7000111.8E144 V145 L146P142-E144 VanDerWaalsContact CB-OE2 3.27Å; P142-E144 WeakPolarHBondContact CB-OE2 3.27Å; P142-E144 PolarHBondContact O-N 2.87Å; P142-V145 HydrophobicContact CB-CG2 4.08Å; P142-V145 HydrophobicContact CG-CG2 4.05Å; P142-V145 PolarHBondContact O-N 3.39Å; P142-V145 VanDerWaalsContact O-N 3.09Å; P142-L146 PolarHBondContact O-N 3.2Å; P142-L146 VanDerWaalsContact O-N 3.08Å
143V83.5Confident79.3Confident89 Ų89105.8 Ų105.854%0.53955%0.552SS.*Hα-helixtrans-59-37.2-176.5178.20000110.8V145 L146 E147V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 2.94Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.45Å; V143-E147 HydrophobicContact CG1-CG 4.31Å; V143-E147 WeakPolarHBondContact O-CG 3.36Å; V143-E147 PolarHBondContact O-N 3.16Å
144E87Confident80.2Confident133 Ų133105.6 Ų105.662%0.62154%0.54SS*.Hα-helixtrans-65.5-38.3-179.4-53.775.8-165.300111.5P142 D148P142-E144 VanDerWaalsContact CB-OE2 3.27Å; P142-E144 WeakPolarHBondContact CB-OE2 3.27Å; P142-E144 PolarHBondContact O-N 2.87Å; E144-D148 WeakPolarHBondContact O-CB 3.27Å; E144-D148 PolarHBondContact O-N 3.26Å
145V88.5Confident81.5Confident78 Ų78108.4 Ų108.447%0.47355%0.551SS.*Hα-helixtrans-68.9-39.1176.11780000110.3V141 P142 V143 F149V141-V145 HydrophobicContact CG1-CB 3.79Å; V141-V145 HydrophobicContact CG1-CG1 3.71Å; P142-V145 HydrophobicContact CB-CG2 4.08Å; P142-V145 HydrophobicContact CG-CG2 4.05Å; P142-V145 PolarHBondContact O-N 3.39Å; P142-V145 VanDerWaalsContact O-N 3.09Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 2.94Å; V145-F149 VanDerWaalsContact O-CB 3.29Å; V145-F149 WeakPolarHBondContact O-CB 3.39Å; V145-F149 PolarHBondContact O-N 3.2Å
146L87.6Confident82.9Confident86 Ų86111 Ų11145%0.4555%0.552SS.*Hα-helixtrans-65.7-43.8176.4179.962.9000111.7V141 P142 V143 F149 I150V141-L146 HydrophobicContact CG1-CB 4.36Å; P142-L146 PolarHBondContact O-N 3.2Å; P142-L146 VanDerWaalsContact O-N 3.08Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.45Å; L146-F149 PolarHBondContact O-N 2.87Å; L146-I150 HydrophobicContact CD1-CD1 4.1Å; L146-I150 HydrophobicContact CD1-CG1 4.39Å; L146-I150 HydrophobicContact CG-CD1 3.98Å; L146-I150 VanDerWaalsContact O-CG1 3.27Å; L146-I150 WeakPolarHBondContact O-CG1 3.46Å; L146-I150 PolarHBondContact O-N 3.07Å
147E90.9Very high84.5Confident116 Ų116109.4 Ų109.454%0.54253%0.534SS..Hα-helixtrans-64.2-45.6178-74.3179.5171.700111.8V143 F149 I150 L151V143-E147 HydrophobicContact CG1-CG 4.31Å; V143-E147 WeakPolarHBondContact O-CG 3.36Å; V143-E147 PolarHBondContact O-N 3.16Å; E147-F149 VanDerWaalsContact C-N 3.35Å; E147-F149 PolarHBondContact O-N 2.97Å; E147-I150 PolarHBondContact O-N 3.19Å; E147-L151 WeakPolarHBondContact O-CG 3.36Å; E147-L151 PolarHBondContact O-N 3.4Å
148D93.1Very high85.9Confident73 Ų73107 Ų10739%0.3953%0.533SS..Hα-helixtrans-59.8-43.6174.3176.565.1000111.7E144 L151 K152E144-D148 WeakPolarHBondContact O-CB 3.27Å; E144-D148 PolarHBondContact O-N 3.26Å; D148-L151 PolarHBondContact O-N 2.92Å; D148-K152 WeakPolarHBondContact O-CB 3.27Å; D148-K152 WeakPolarHBondContact O-CG 3.33Å; D148-K152 PolarHBondContact O-N 3.46Å; D148-K152 WeakPolarHBondContact OD1-CE 3.47Å; D148-K152 IonicContact OD1-NZ 2.74Å; D148-K152 PolarHBondContact OD1-NZ 3.02Å; D148-K152 VanDerWaalsContact OD2-CE 3.29Å; D148-K152 WeakPolarHBondContact OD2-CE 3.48Å; D148-K152 IonicContact OD2-NZ 2.78Å; D148-K152 PolarHBondContact OD2-NZ 3.06Å
149F92.6Very high87.4Confident129 Ų129105.7 Ų105.757%0.56654%0.535SS*.Hα-helixtrans-60.5-47.4175.4175.1-96.5000112.1V145 L146 E147 L151 K152 F153V145-F149 VanDerWaalsContact O-CB 3.29Å; V145-F149 WeakPolarHBondContact O-CB 3.39Å; V145-F149 PolarHBondContact O-N 3.2Å; L146-F149 PolarHBondContact O-N 2.87Å; E147-F149 VanDerWaalsContact C-N 3.35Å; E147-F149 PolarHBondContact O-N 2.97Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 2.76Å; F149-K152 PolarHBondContact O-N 3.39Å; F149-F153 VanDerWaalsContact O-CB 3.29Å; F149-F153 WeakPolarHBondContact O-CB 3.5Å; F149-F153 PolarHBondContact O-N 3.43Å
150I92.4Very high89.1Confident62 Ų62103 Ų10332%0.31853%0.529SS..Hα-helixtrans-61.9-42.3179.6-70.5167000110.8L146 E147 R154L146-I150 HydrophobicContact CD1-CD1 4.1Å; L146-I150 HydrophobicContact CD1-CG1 4.39Å; L146-I150 HydrophobicContact CG-CD1 3.98Å; L146-I150 VanDerWaalsContact O-CG1 3.27Å; L146-I150 WeakPolarHBondContact O-CG1 3.46Å; L146-I150 PolarHBondContact O-N 3.07Å; E147-I150 PolarHBondContact O-N 3.19Å; I150-R154 WeakPolarHBondContact O-CB 3.25Å; I150-R154 VanDerWaalsContact O-CG 3.3Å; I150-R154 WeakPolarHBondContact O-CG 3.44Å; I150-R154 PolarHBondContact O-N 3.26Å
151L93.3Very high90.3Very high115 Ų115101.8 Ų101.860%0.60252%0.521SS*.Hα-helixtrans-63.3-47.7177.8-74.5168.6000111.5E147 D148 F149 R154 H155E147-L151 WeakPolarHBondContact O-CG 3.36Å; E147-L151 PolarHBondContact O-N 3.4Å; D148-L151 PolarHBondContact O-N 2.92Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 2.76Å; L151-R154 PolarHBondContact O-N 2.7Å; L151-H155 PolarHBondContact O-N 3.36Å
152K94.1Very high91.2Very high106 Ų106104.7 Ų104.746%0.46153%0.53SS..Hα-helixtrans-61.5-47.5176.4-75.2171.8177.7166.10111.8D148 F149 R154 H155 F156D148-K152 WeakPolarHBondContact O-CB 3.27Å; D148-K152 WeakPolarHBondContact O-CG 3.33Å; D148-K152 PolarHBondContact O-N 3.46Å; D148-K152 WeakPolarHBondContact OD1-CE 3.47Å; D148-K152 IonicContact OD1-NZ 2.74Å; D148-K152 PolarHBondContact OD1-NZ 3.02Å; D148-K152 VanDerWaalsContact OD2-CE 3.29Å; D148-K152 WeakPolarHBondContact OD2-CE 3.48Å; D148-K152 IonicContact OD2-NZ 2.78Å; D148-K152 PolarHBondContact OD2-NZ 3.06Å; F149-K152 PolarHBondContact O-N 3.39Å; K152-R154 PolarHBondContact O-N 3.35Å; K152-H155 WeakPolarHBondContact O-CB 3.18Å; K152-H155 PolarHBondContact O-N 3.39Å; K152-F156 HydrophobicContact CB-CD2 4.47Å; K152-F156 HydrophobicContact CB-CE2 4.27Å; K152-F156 WeakPolarHBondContact O-CD2 3.14Å; K152-F156 PolarHBondContact O-N 3.07Å
153F92.7Very high91.8Very high107 Ų107105.8 Ų105.847%0.46953%0.529SS..Hα-helixtrans-58.3-48.4178.7175.9-100.4000111.3F149 H155 F156 A157 I165F149-F153 VanDerWaalsContact O-CB 3.29Å; F149-F153 WeakPolarHBondContact O-CB 3.5Å; F149-F153 PolarHBondContact O-N 3.43Å; F153-H155 VanDerWaalsContact C-N 3.3Å; F153-H155 PolarHBondContact O-N 2.74Å; F153-F156 PolarHBondContact O-N 2.8Å; F153-A157 HydrophobicContact CE1-CB 4.26Å; F153-A157 HydrophobicContact CZ-CB 4.29Å; F153-A157 WeakPolarHBondContact O-CB 3.46Å; F153-A157 PolarHBondContact O-N 3.26Å; F153-I165 HydrophobicContact CZ-CG2 4.25Å
154R92.9Very high92.3Very high168 Ų168105.6 Ų105.663%0.63453%0.525SS*.Hα-helixtrans-60-40.1176.9-75.7176.3176167.90.9112.5I150 L151 K152 S158I150-R154 WeakPolarHBondContact O-CB 3.25Å; I150-R154 VanDerWaalsContact O-CG 3.3Å; I150-R154 WeakPolarHBondContact O-CG 3.44Å; I150-R154 PolarHBondContact O-N 3.26Å; L151-R154 PolarHBondContact O-N 2.7Å; K152-R154 PolarHBondContact O-N 3.35Å; R154-S158 WeakPolarHBondContact O-CB 3.05Å; R154-S158 PolarHBondContact O-N 3.45Å
155H94Very high92.6Very high138 Ų138101.2 Ų101.264%0.63951%0.505SS*.Hα-helixtrans-61.4-50.2176.1179.268.4000111.4L151 K152 F153 S158L151-H155 PolarHBondContact O-N 3.36Å; K152-H155 WeakPolarHBondContact O-CB 3.18Å; K152-H155 PolarHBondContact O-N 3.39Å; F153-H155 VanDerWaalsContact C-N 3.3Å; F153-H155 PolarHBondContact O-N 2.74Å; H155-S158 PolarHBondContact O-N 3.46Å; H155-S158 PolarHBondContact O-OG 3.11Å
156F91.1Very high92.8Very high142 Ų142102.9 Ų102.962%0.62351%0.506SS*.Hα-helixtrans-65.2-41.6178.2-69.9-59.2000113K152 F153 S158 F160K152-F156 HydrophobicContact CB-CD2 4.47Å; K152-F156 HydrophobicContact CB-CE2 4.27Å; K152-F156 WeakPolarHBondContact O-CD2 3.14Å; K152-F156 PolarHBondContact O-N 3.07Å; F153-F156 PolarHBondContact O-N 2.8Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 PolarHBondContact O-N 3.37Å; F156-F160 WeakPolarHBondContact O-CD2 3.37Å; F156-F160 WeakPolarHBondContact O-CE2 3.29Å
157A92.6Very high93.1Very high18 Ų18104.7 Ų104.715%0.14952%0.517CS..Hα-helixtrans-67.6-24.3-179.600000113F153 G159 F160 I165F153-A157 HydrophobicContact CE1-CB 4.26Å; F153-A157 HydrophobicContact CZ-CB 4.29Å; F153-A157 WeakPolarHBondContact O-CB 3.46Å; F153-A157 PolarHBondContact O-N 3.26Å; A157-G159 PolarHBondContact O-N 2.97Å; A157-F160 PolarHBondContact O-N 2.9Å; A157-I165 HydrophobicContact CB-CD1 3.95Å
158S93.1Very high93.3Very high97 Ų97101.8 Ų101.868%0.67851%0.512SS*.THydrogen-bonded Turntrans-60.7-19.8-175.469.10000115.3R154 H155 F156R154-S158 WeakPolarHBondContact O-CB 3.05Å; R154-S158 PolarHBondContact O-N 3.45Å; H155-S158 PolarHBondContact O-N 3.46Å; H155-S158 PolarHBondContact O-OG 3.11Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 PolarHBondContact O-N 3.37Å
159G92.7Very high93.4Very high70 Ų70103.7 Ų103.772%0.72252%0.523SS*.THydrogen-bonded Turntrans-88.8-5.7177.100000115.1A157A157-G159 PolarHBondContact O-N 2.97Å
160F94Very high93.5Very high132 Ų132103.8 Ų103.858%0.57953%0.525SS*.SBendtrans-111.6148.4-176.8-61.6-85.5000110.1F156 A157 D164 I165F156-F160 WeakPolarHBondContact O-CD2 3.37Å; F156-F160 WeakPolarHBondContact O-CE2 3.29Å; A157-F160 PolarHBondContact O-N 2.9Å; F160-D164 HydrophobicContact CB-CB 4.32Å; F160-D164 HydrophobicContact CD1-CB 4.46Å; F160-I165 HydrophobicContact CB-CD1 4.3Å; F160-I165 HydrophobicContact CB-CG1 3.85Å
161K93.8Very high93.5Very high130 Ų130104.2 Ų104.257%0.56553%0.532SS*.  trans-72.6157.9166.7-63.1173.4174.6176.10109.3E163 D164 I165K161-E163 HydrophobicContact CB-CG 3.8Å; K161-E163 HydrophobicContact CD-CG 4.02Å; K161-E163 WeakPolarHBondContact CD-OE1 3.49Å; K161-E163 IonicContact NZ-OE1 2.68Å; K161-E163 PolarHBondContact NZ-OE1 2.95Å; K161-E163 PolarHBondContact O-N 2.96Å; K161-D164 WeakPolarHBondContact O-CA 3.45Å; K161-D164 WeakPolarHBondContact O-CB 3.29Å; K161-D164 PolarHBondContact O-N 3.11Å; K161-I165 WeakPolarHBondContact O-CG1 3.29Å; K161-I165 PolarHBondContact O-N 3.19Å
162E92.3Very high93.5Very high140 Ų14099.8 Ų99.865%0.65451%0.514SS*.G310 helixtrans-59-35.3178.1-64.8-177171.600112.6D164 I165 A208 T209E162-D164 PolarHBondContact O-N 2.82Å; E162-I165 PolarHBondContact O-N 3.35Å; E162-A208 HydrophobicContact CB-CB 4.32Å; E162-A208 WeakPolarHBondContact O-CB 3.17Å; E162-T209 HydrophobicContact CB-CG2 4.07Å
163E94.8Very high93.4Very high92 Ų9299.5 Ų99.543%0.4352%0.517SS..G310 helixtrans-62.3-23.4173.965.4-161.8-155.800113.3K161 F166K161-E163 HydrophobicContact CB-CG 3.8Å; K161-E163 HydrophobicContact CD-CG 4.02Å; K161-E163 WeakPolarHBondContact CD-OE1 3.49Å; K161-E163 IonicContact NZ-OE1 2.68Å; K161-E163 PolarHBondContact NZ-OE1 2.95Å; K161-E163 PolarHBondContact O-N 2.96Å; E163-F166 VanDerWaalsContact O-CE2 3.22Å; E163-F166 WeakPolarHBondContact O-CE2 3.38Å; E163-F166 WeakPolarHBondContact O-CZ 3.27Å
164D94.2Very high93.2Very high86 Ų8698.6 Ų98.646%0.4651%0.514SS..G310 helixtrans-96.9-1.1-179.4-60.7-48.5000113F160 K161 E162F160-D164 HydrophobicContact CB-CB 4.32Å; F160-D164 HydrophobicContact CD1-CB 4.46Å; K161-D164 WeakPolarHBondContact O-CA 3.45Å; K161-D164 WeakPolarHBondContact O-CB 3.29Å; K161-D164 PolarHBondContact O-N 3.11Å; E162-D164 PolarHBondContact O-N 2.82Å
165I93.8Very high93Very high40 Ų4095.3 Ų95.321%0.20550%0.504CS..  trans-100.4111.3179.1-63.2167.5000108.7F153 A157 F160 K161 E162 S207 A208F153-I165 HydrophobicContact CZ-CG2 4.25Å; A157-I165 HydrophobicContact CB-CD1 3.95Å; F160-I165 HydrophobicContact CB-CD1 4.3Å; F160-I165 HydrophobicContact CB-CG1 3.85Å; K161-I165 WeakPolarHBondContact O-CG1 3.29Å; K161-I165 PolarHBondContact O-N 3.19Å; E162-I165 PolarHBondContact O-N 3.35Å; I165-S207 CarbonylContact O-C 3.51Å; I165-S207 WeakPolarHBondContact O-CA 3.19Å; I165-A208 HydrophobicContact CB-CB 4.23Å; I165-A208 HydrophobicContact CG2-CB 4.44Å; I165-A208 PolarHBondContact O-N 3.29Å
166F93.8Very high92.8Very high113 Ų11394 Ų9450%0.49650%0.497SS..EExtended strand (participates in β ladder)trans-110.2142.2-178.9-68.2-97.2000111.8E163 A206E163-F166 VanDerWaalsContact O-CE2 3.22Å; E163-F166 WeakPolarHBondContact O-CE2 3.38Å; E163-F166 WeakPolarHBondContact O-CZ 3.27Å; F166-A206 WeakPolarHBondContact CA-O 3.44Å
167N93.9Very high92.5Very high125 Ų12589.8 Ų89.867%0.66849%0.487SS*.EExtended strand (participates in β ladder)trans-110.3130.2163.7-177.849.7000109C205 A206N167-C205 WeakPolarHBondContact O-CA 3.32Å; N167-A206 PolarHBondContact N-O 3.13Å; N167-A206 PolarHBondContact O-N 3.28Å
168A95.1Very high92.1Very high54 Ų5495.6 Ų95.645%0.44651%0.513SS..EExtended strand (participates in β ladder)trans-128133.117800000110.7L203 F204 C205A168-L203 HydrophobicContact CB-CD1 4.14Å; A168-F204 CarbonylContact C-O 3.53Å; A168-F204 WeakPolarHBondContact CA-O 3.41Å; A168-C205 HydrophobicContact CB-CB 4.08Å
169D95.3Very high91.5Very high114 Ų11495.7 Ų95.761%0.6151%0.512SS*.EExtended strand (participates in β ladder)trans-143.7146.3178.1-166.723.1000111.7F204D169-F204 PolarHBondContact N-O 2.95Å; D169-F204 PolarHBondContact O-N 3.09Å
170E94.7Very high90.8Very high131 Ų13198 Ų9861%0.61251%0.508SS*.EExtended strand (participates in β ladder)trans-95130.2-178.7-69.8-172.6-174.800111.2L203E170-L203 HydrophobicContact CG-CD1 3.68Å
171C91.8Very high90Very high70 Ų70101.4 Ų101.447%0.47352%0.517SS..EExtended strand (participates in β ladder)trans-127150.7173.2-168.10000111.7V202 F204C171-V202 PolarHBondContact N-O 3.2Å; C171-V202 PolarHBondContact O-N 2.86Å; C171-F204 HydrophobicContact CB-CD2 4.24Å; C171-F204 HydrophobicContact CB-CE2 4Å
172G92.4Very high89.1Confident22 Ų22100.1 Ų100.123%0.22752%0.524CS..EExtended strand (participates in β ladder)trans-90.2113172.300000111.9F174G172-F174 VanDerWaalsContact O-CD2 3.32Å; G172-F174 WeakPolarHBondContact O-CD2 3.22Å
173L91.6Very high88.4Confident100 Ų100101.9 Ų101.952%0.52454%0.537SS..EExtended strand (participates in β ladder)trans-91.5102.8173.2-179.965.4000110.7F175 R199 F200 V202L173-F175 PolarHBondContact O-N 3.09Å; L173-F175 VanDerWaalsContact O-N 3.13Å; L173-R199 CarbonylContact O-C 3.56Å; L173-R199 WeakPolarHBondContact O-CA 3.26Å; L173-F200 PolarHBondContact N-O 3.08Å; L173-F200 PolarHBondContact O-N 2.89Å; L173-V202 HydrophobicContact CB-CG2 3.83Å; L173-V202 HydrophobicContact CD2-CG2 4.34Å
174F89.9Confident87.8Confident89 Ų89101.6 Ų101.639%0.3954%0.541SS..  trans-83.882.3179.7-62.5-96.4000111.7G172 K176 A177 R199G172-F174 VanDerWaalsContact O-CD2 3.32Å; G172-F174 WeakPolarHBondContact O-CD2 3.22Å; F174-K176 PolarHBondContact O-N 3.22Å; F174-A177 HydrophobicContact CB-CB 3.66Å; F174-A177 WeakPolarHBondContact O-CB 3.38Å; F174-A177 PolarHBondContact O-N 2.91Å; F174-A177 VanDerWaalsContact O-N 3.09Å; F174-R199 HydrophobicContact CD1-CB 3.83Å; F174-R199 HydrophobicContact CD2-CB 4.47Å; F174-R199 HydrophobicContact CE1-CB 3.98Å; F174-R199 HydrophobicContact CE1-CG 4.34Å; F174-R199 HydrophobicContact CG-CB 4.09Å; F174-R199 HydrophobicContact CZ-CB 4.37Å
175F88.7Confident87.2Confident99 Ų99103.8 Ų103.843%0.43455%0.552SS.*THydrogen-bonded Turntrans-68.1-16.1-172.966.4-84.5000115L173 E198 F200L173-F175 PolarHBondContact O-N 3.09Å; L173-F175 VanDerWaalsContact O-N 3.13Å; F175-E198 HydrophobicContact CE1-CB 4.03Å; F175-E198 HydrophobicContact CZ-CB 4.08Å; F175-F200 HydrophobicContact CB-CD2 4.45Å; F175-F200 HydrophobicContact CB-CE2 4.36Å; F175-F200 AromaticContact CD1-CD2 3.53Å; F175-F200 HydrophobicContact CD1-CD2 3.53Å; F175-F200 AromaticContact CD1-CE2 3.47Å; F175-F200 HydrophobicContact CD1-CE2 3.47Å; F175-F200 VanDerWaalsContact CD1-CE2 3.47Å; F175-F200 HydrophobicContact CD1-CG 4.38Å; F175-F200 HydrophobicContact CD1-CZ 4.28Å; F175-F200 HydrophobicContact CD2-CE2 4.36Å; F175-F200 HydrophobicContact CE1-CD2 4.01Å; F175-F200 AromaticContact CE1-CE2 3.73Å; F175-F200 HydrophobicContact CE1-CE2 3.73Å; F175-F200 HydrophobicContact CE1-CZ 4.08Å; F175-F200 HydrophobicContact CG-CD2 4.15Å; F175-F200 AromaticContact CG-CE2 3.82Å; F175-F200 HydrophobicContact CG-CE2 3.82Å; F175-F200 HydrophobicContact CZ-CE2 4.28Å; F175-F200 HydrophobicContact CZ-CZ 4.38Å
176K88.6Confident86.6Confident111 Ų111112.3 Ų112.348%0.48359%0.588SS.*THydrogen-bonded Turntrans-110.212.9172-55.7-159.1-159.8150.30113.7F174 M178 S196 E198F174-K176 PolarHBondContact O-N 3.22Å; K176-M178 PolarHBondContact O-N 3.06Å; K176-S196 WeakPolarHBondContact O-CB 3.37Å; K176-E198 WeakPolarHBondContact CD-OE1 3.36Å; K176-E198 WeakPolarHBondContact CE-OE1 3.49Å; K176-E198 IonicContact NZ-OE1 3.24Å; K176-E198 PolarHBondContact NZ-OE1 2.66Å; K176-E198 IonicContact NZ-OE2 3.92Å; K176-E198 PolarHBondContact NZ-OE2 3.29Å
177A85.7Confident86Confident52 Ų52110.4 Ų110.443%0.4360%0.6SS.*PPolyproline II helixtrans-67.7121.9175.700000110.1F174F174-A177 HydrophobicContact CB-CB 3.66Å; F174-A177 WeakPolarHBondContact O-CB 3.38Å; F174-A177 PolarHBondContact O-N 2.91Å; F174-A177 VanDerWaalsContact O-N 3.09Å
178M83.1Confident85.4Confident141 Ų141109.1 Ų109.170%0.69559%0.593SS**PPolyproline II helixtrans-82.1164.8167.5-68.2-62.8-7100109.8K176 D180 L195K176-M178 PolarHBondContact O-N 3.06Å; M178-D180 PolarHBondContact O-N 2.82Å; M178-L195 WeakPolarHBondContact O-CD2 3.37Å
179P81.2Confident84.1Confident99 Ų99114.9 Ų114.964%0.64361%0.608SS**PPolyproline II helixtrans-50.2136.8172.3-27.535.7000112R181P179-R181 PolarHBondContact O-N 2.92Å
180D77.5Confident82.6Confident119 Ų119113.5 Ų113.564%0.63661%0.606SS**SBendtrans-72.2-3.8178.471.4-30000113M178 L195M178-D180 PolarHBondContact O-N 2.82Å; D180-L195 HydrophobicContact CB-CD1 4.34Å
181R77.6Confident81.2Confident203 Ų203115.9 Ų115.977%0.76662%0.615SS**  trans-136.4135-177.3-63.2171.2-161.8-147.31.5110.1P179P179-R181 PolarHBondContact O-N 2.92Å
182S75.7Confident80Confident103 Ų103118.5 Ų118.572%0.7263%0.634SS**  trans-129.5157175.1-170.50000110.7
183L77.9Confident78.8Confident176 Ų176120.6 Ų120.692%0.92166%0.656SS**  trans-78122173.4-63.5177.8000109.2
184V80.3Confident77.8Confident86 Ų86125.9 Ų125.952%0.52167%0.674SS.*  trans-135.6148.5-171.1-65.90000109.4C190V184-C190 WeakPolarHBondContact CB-SG 3.39Å; V184-C190 WeakPolarHBondContact CG1-SG 3.16Å; V184-C190 VanDerWaalsContact CG2-SG 3.56Å
185L81.9Confident77.3Confident132 Ų132125.9 Ų125.969%0.69168%0.678SS**  trans-65.2144178.6-66.9171.3000110.2G187 D188L185-G187 PolarHBondContact O-N 3.1Å; L185-G187 VanDerWaalsContact O-N 3.07Å; L185-D188 PolarHBondContact O-N 3.07Å; L185-D188 VanDerWaalsContact O-N 3.1Å
186K81.6Confident77Confident219 Ų219122.8 Ų122.895%0.95267%0.669SS**THydrogen-bonded Turntrans-63.5113.6-178.2-174-176.9179.1-174.10109.8
187G82Confident76.9Confident73 Ų73126.2 Ų126.275%0.75368%0.684SS**THydrogen-bonded Turntrans108.8-13.8179.200000114L185 K189L185-G187 PolarHBondContact O-N 3.1Å; L185-G187 VanDerWaalsContact O-N 3.07Å; G187-K189 PolarHBondContact O-N 3.02Å
188D80.3Confident77.1Confident99 Ų99128.1 Ų128.153%0.52968%0.683SS.*  trans-68.9125.9176.1-77.3-5.6000110.3L185 C190L185-D188 PolarHBondContact O-N 3.07Å; L185-D188 VanDerWaalsContact O-N 3.1Å; D188-C190 PolarHBondContact O-N 2.91Å
189K68.2Low77.6Confident174 Ų174128.5 Ų128.576%0.75768%0.677SS**  trans-75.597.1168-65.7-176.3-178.1177.20106.9G187 K191G187-K189 PolarHBondContact O-N 3.02Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 HydrophobicContact CB-CD 4.36Å; K189-K191 HydrophobicContact CB-CG 4.02Å; K189-K191 PolarHBondContact O-N 2.92Å
190C63.1Low78.1Confident85 Ų85129.5 Ų129.557%0.57467%0.672SS**  trans-63.494.8170.4-53.30000108.6V184 D188V184-C190 WeakPolarHBondContact CB-SG 3.39Å; V184-C190 WeakPolarHBondContact CG1-SG 3.16Å; V184-C190 VanDerWaalsContact CG2-SG 3.56Å; D188-C190 PolarHBondContact O-N 2.91Å
191K66.2Low79Confident181 Ų181128.3 Ų128.379%0.78767%0.669SS**  trans-106.24-177.1-74.1-172.3176.3-169.40113.1K189K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 HydrophobicContact CB-CD 4.36Å; K189-K191 HydrophobicContact CB-CG 4.02Å; K189-K191 PolarHBondContact O-N 2.92Å
192S66.2Low79.8Confident125 Ų125120.5 Ų120.587%0.87464%0.644SS**  trans-141137-171.8-167.70000111.7
193G66.5Low80.8Confident67 Ų67120.7 Ų120.769%0.69164%0.636SS**  trans126.371.8-169.900000110.4L195G193-L195 PolarHBondContact O-N 3.27Å
194K71.5Confident81.5Confident210 Ų210118.7 Ų118.791%0.91362%0.62SS**PPolyproline II helixtrans-70.7122.5167.2-74.4-179.1-179.1175.10107.1S196K194-S196 PolarHBondContact O-N 3.19Å
195L78.8Confident82.3Confident89 Ų89117.9 Ų117.947%0.46662%0.618SS.*PPolyproline II helixtrans-57.2131.3166.7-68.2173.1000108.2M178 D180 G193 K197M178-L195 WeakPolarHBondContact O-CD2 3.37Å; D180-L195 HydrophobicContact CB-CD1 4.34Å; G193-L195 PolarHBondContact O-N 3.27Å; L195-K197 PolarHBondContact O-N 3.07Å
196S82.5Confident82.9Confident34 Ų34113.7 Ų113.724%0.23860%0.602CS.*PPolyproline II helixtrans-59.5128.7174.3-1750000108.7K176 K194 E198K176-S196 WeakPolarHBondContact O-CB 3.37Å; K194-S196 PolarHBondContact O-N 3.19Å; S196-E198 VanDerWaalsContact C-N 3.31Å; S196-E198 WeakPolarHBondContact OG-CB 3.16Å; S196-E198 PolarHBondContact OG-N 3.34Å; S196-E198 PolarHBondContact OG-OE1 3.4Å
197K86.5Confident83.6Confident184 Ų184103.7 Ų103.780%0.856%0.559SS**  trans-90.6-0.6174.4-64.8-173177.2-174.20112.2L195 R199L195-K197 PolarHBondContact O-N 3.07Å; K197-R199 PolarHBondContact O-N 2.87Å
198E89.6Confident84Confident91 Ų91103.4 Ų103.443%0.42555%0.55SS..  trans-63.3123.5174.4-65177.2-42.200108.9F175 K176 S196F175-E198 HydrophobicContact CE1-CB 4.03Å; F175-E198 HydrophobicContact CZ-CB 4.08Å; K176-E198 WeakPolarHBondContact CD-OE1 3.36Å; K176-E198 WeakPolarHBondContact CE-OE1 3.49Å; K176-E198 IonicContact NZ-OE1 3.24Å; K176-E198 PolarHBondContact NZ-OE1 2.66Å; K176-E198 IonicContact NZ-OE2 3.92Å; K176-E198 PolarHBondContact NZ-OE2 3.29Å; S196-E198 VanDerWaalsContact C-N 3.31Å; S196-E198 WeakPolarHBondContact OG-CB 3.16Å; S196-E198 PolarHBondContact OG-N 3.34Å; S196-E198 PolarHBondContact OG-OE1 3.4Å
199R93.7Very high84.7Confident149 Ų149102.3 Ų102.356%0.56255%0.547SS*.  trans-142.9148.8-177.164.5-176.9-175.6169.53.1109.9L173 F174 K197L173-R199 CarbonylContact O-C 3.56Å; L173-R199 WeakPolarHBondContact O-CA 3.26Å; F174-R199 HydrophobicContact CD1-CB 3.83Å; F174-R199 HydrophobicContact CD2-CB 4.47Å; F174-R199 HydrophobicContact CE1-CB 3.98Å; F174-R199 HydrophobicContact CE1-CG 4.34Å; F174-R199 HydrophobicContact CG-CB 4.09Å; F174-R199 HydrophobicContact CZ-CB 4.37Å; K197-R199 PolarHBondContact O-N 2.87Å
200F93.5Very high85.7Confident121 Ų12197 Ų9753%0.53154%0.541SS..EExtended strand (participates in β ladder)trans-85.4141.2156.6-65-67.5000108.3L173 F175 V202L173-F200 PolarHBondContact N-O 3.08Å; L173-F200 PolarHBondContact O-N 2.89Å; F175-F200 HydrophobicContact CB-CD2 4.45Å; F175-F200 HydrophobicContact CB-CE2 4.36Å; F175-F200 AromaticContact CD1-CD2 3.53Å; F175-F200 HydrophobicContact CD1-CD2 3.53Å; F175-F200 AromaticContact CD1-CE2 3.47Å; F175-F200 HydrophobicContact CD1-CE2 3.47Å; F175-F200 VanDerWaalsContact CD1-CE2 3.47Å; F175-F200 HydrophobicContact CD1-CG 4.38Å; F175-F200 HydrophobicContact CD1-CZ 4.28Å; F175-F200 HydrophobicContact CD2-CE2 4.36Å; F175-F200 HydrophobicContact CE1-CD2 4.01Å; F175-F200 AromaticContact CE1-CE2 3.73Å; F175-F200 HydrophobicContact CE1-CE2 3.73Å; F175-F200 HydrophobicContact CE1-CZ 4.08Å; F175-F200 HydrophobicContact CG-CD2 4.15Å; F175-F200 AromaticContact CG-CE2 3.82Å; F175-F200 HydrophobicContact CG-CE2 3.82Å; F175-F200 HydrophobicContact CZ-CE2 4.28Å; F175-F200 HydrophobicContact CZ-CZ 4.38Å; F200-V202 HydrophobicContact CB-CG2 4.18Å
201T95.2Very high86.6Confident94 Ų94101.4 Ų101.458%0.57755%0.554SS**EExtended strand (participates in β ladder)trans-84120.7161.5-58.60000106.6
202V94.9Very high87.6Confident39 Ų3997.5 Ų97.524%0.23654%0.542CS..EExtended strand (participates in β ladder)trans-115.1120.9-179.9-174.50000107.4C171 L173 F200 F204C171-V202 PolarHBondContact N-O 3.2Å; C171-V202 PolarHBondContact O-N 2.86Å; L173-V202 HydrophobicContact CB-CG2 3.83Å; L173-V202 HydrophobicContact CD2-CG2 4.34Å; F200-V202 HydrophobicContact CB-CG2 4.18Å; V202-F204 HydrophobicContact CB-CE2 3.94Å; V202-F204 HydrophobicContact CB-CZ 4.2Å; V202-F204 HydrophobicContact CG1-CD1 4.36Å; V202-F204 HydrophobicContact CG1-CD2 4.12Å; V202-F204 HydrophobicContact CG1-CE1 3.93Å; V202-F204 HydrophobicContact CG1-CE2 3.66Å; V202-F204 HydrophobicContact CG1-CG 4.46Å; V202-F204 HydrophobicContact CG1-CZ 3.56Å
203L96.1Very high88.8Confident107 Ų10796 Ų9656%0.5653%0.525SS*.EExtended strand (participates in β ladder)trans-87.9115.3167.9-178.670.8000107.5A168 E170A168-L203 HydrophobicContact CB-CD1 4.14Å; E170-L203 HydrophobicContact CG-CD1 3.68Å
204F93.9Very high90Very high133 Ų13397.6 Ų97.658%0.58352%0.515SS*.EExtended strand (participates in β ladder)trans-91.1130.6168.4-66.3-79.9000107.7A168 D169 C171 V202A168-F204 CarbonylContact C-O 3.53Å; A168-F204 WeakPolarHBondContact CA-O 3.41Å; D169-F204 PolarHBondContact N-O 2.95Å; D169-F204 PolarHBondContact O-N 3.09Å; C171-F204 HydrophobicContact CB-CD2 4.24Å; C171-F204 HydrophobicContact CB-CE2 4Å; V202-F204 HydrophobicContact CB-CE2 3.94Å; V202-F204 HydrophobicContact CB-CZ 4.2Å; V202-F204 HydrophobicContact CG1-CD1 4.36Å; V202-F204 HydrophobicContact CG1-CD2 4.12Å; V202-F204 HydrophobicContact CG1-CE1 3.93Å; V202-F204 HydrophobicContact CG1-CE2 3.66Å; V202-F204 HydrophobicContact CG1-CG 4.46Å; V202-F204 HydrophobicContact CG1-CZ 3.56Å
205C95.5Very high91.1Very high70 Ų7091 Ų9147%0.47349%0.492SS..EExtended strand (participates in β ladder)trans-130.1132.5172.7-172.20000107.1N167 A168N167-C205 WeakPolarHBondContact O-CA 3.32Å; A168-C205 HydrophobicContact CB-CB 4.08Å
206A95.8Very high91.8Very high44 Ų4491.1 Ų91.136%0.36449%0.494SS..EExtended strand (participates in β ladder)trans-139.7140.1173.700000109.8F166 N167 E211F166-A206 WeakPolarHBondContact CA-O 3.44Å; N167-A206 PolarHBondContact N-O 3.13Å; N167-A206 PolarHBondContact O-N 3.28Å; A206-E211 VanDerWaalsContact CA-OXT 3.27Å; A206-E211 WeakPolarHBondContact CA-OXT 3.06Å
207S94.7Very high92.5Very high8 Ų894.9 Ų94.96%0.05651%0.511CS..EExtended strand (participates in β ladder)trans-65.2161167.157.20000110.6I165 T209 G210 E211I165-S207 CarbonylContact O-C 3.51Å; I165-S207 WeakPolarHBondContact O-CA 3.19Å; S207-T209 PolarHBondContact O-N 3.26Å; S207-T209 PolarHBondContact OG-OG1 3.42Å; S207-T209 VanDerWaalsContact OG-OG1 3.07Å; S207-G210 PolarHBondContact O-N 3.34Å; S207-G210 PolarHBondContact OG-N 3.38Å; S207-G210 VanDerWaalsContact OG-N 3.16Å; S207-E211 PolarHBondContact N-OXT 3.42Å; S207-E211 WeakPolarHBondContact OG-CA 3.48Å; S207-E211 WeakPolarHBondContact OG-CB 3.05Å; S207-E211 PolarHBondContact OG-N 2.83Å; S207-E211 PolarHBondContact OG-OXT 2.68Å; S207-E211 VanDerWaalsContact OG-OXT 3.06Å
208A91.4Very high92.9Very high67 Ų6788.6 Ų88.655%0.55449%0.49SS*.THydrogen-bonded Turntrans-63.8-21.2174.300000112E162 I165E162-A208 HydrophobicContact CB-CB 4.32Å; E162-A208 WeakPolarHBondContact O-CB 3.17Å; I165-A208 HydrophobicContact CB-CB 4.23Å; I165-A208 HydrophobicContact CG2-CB 4.44Å; I165-A208 PolarHBondContact O-N 3.29Å
209T94.3Very high93.1Very high77 Ų7788.4 Ų88.447%0.47250%0.495SS..THydrogen-bonded Turntrans-83.9-11.2172.944.90000114.2E162 S207E162-T209 HydrophobicContact CB-CG2 4.07Å; S207-T209 PolarHBondContact O-N 3.26Å; S207-T209 PolarHBondContact OG-OG1 3.42Å; S207-T209 VanDerWaalsContact OG-OG1 3.07Å
210G90.1Very high93.1Very high61 Ų6183.3 Ų83.363%0.62949%0.489SS*.  trans94.710.9171.800000116.5S207S207-G210 PolarHBondContact O-N 3.34Å; S207-G210 PolarHBondContact OG-N 3.38Å; S207-G210 VanDerWaalsContact OG-N 3.16Å
211E82Confident93.1Very high179 Ų17979.9 Ų79.984%0.83649%0.486SS*.  trans-68.90161.1-52.8-175.5163.200110.5A206 S207A206-E211 VanDerWaalsContact CA-OXT 3.27Å; A206-E211 WeakPolarHBondContact CA-OXT 3.06Å; S207-E211 PolarHBondContact N-OXT 3.42Å; S207-E211 WeakPolarHBondContact OG-CA 3.48Å; S207-E211 WeakPolarHBondContact OG-CB 3.05Å; S207-E211 PolarHBondContact OG-N 2.83Å; S207-E211 PolarHBondContact OG-OXT 2.68Å; S207-E211 VanDerWaalsContact OG-OXT 3.06Å

Retrieved 211 of 211 residues in 69.1 ms (Link to these results)

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