A0A096N441_PAPAN Loading...

RAN binding protein 17

AlphaFold DB , UniProt , Accession A0A096N441, Species PAPAN (Papio anubis, Olive baboon), Gene RANBP17, Length 1,088 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
1M27.7Very low52.3Low234 Ų23493.7 Ų93.7100%1.15351%0.509SS*.  0107.60-74.8174.4-155.500106.1
2A27.9Very low54.1Low93 Ų9388.7 Ų88.777%0.76948%0.479SS*.  trans-85.8116.3176.900000108H4A2-H4 PolarHBondContact O-N 2.78Å
3L38.1Very low55.7Low123 Ų12387.8 Ų87.864%0.64448%0.479SS*.  trans-71.5105.6169.4-81.4154.1000107.9F5L3-F5 HydrophobicContact CB-CZ 4.44Å; L3-F5 PolarHBondContact O-N 3.34Å; L3-F5 VanDerWaalsContact O-N 3.1Å
4H43.1Very low56.9Low143 Ų14384.1 Ų84.166%0.66246%0.458SS*.  trans-72.997169-99.8-49.4000108.6A2 Q6A2-H4 PolarHBondContact O-N 2.78Å; H4-Q6 PolarHBondContact O-N 3.22Å; H4-Q6 VanDerWaalsContact O-N 3.1Å
5F53.3Low57.8Low26 Ų2678.6 Ų78.611%0.11443%0.428CS..  trans-61.5109.4169.6-65.8-74.4000109.6L3 L14 A33 L37 K46L3-F5 HydrophobicContact CB-CZ 4.44Å; L3-F5 PolarHBondContact O-N 3.34Å; L3-F5 VanDerWaalsContact O-N 3.1Å; F5-L14 HydrophobicContact CD1-CD1 4.25Å; F5-L14 HydrophobicContact CE1-CD1 3.57Å; F5-L14 HydrophobicContact CZ-CD1 4.09Å; F5-A33 HydrophobicContact CZ-CB 3.84Å; F5-L37 HydrophobicContact CD2-CD1 4.32Å; F5-K46 PolarHBondContact O-NZ 3.04Å
6Q49.5Very low58.8Low180 Ų18078.1 Ų78.184%0.84143%0.428SS*.  trans-99.5-16-175.7-83.5-176.8-16.300113.5H4H4-Q6 PolarHBondContact O-N 3.22Å; H4-Q6 VanDerWaalsContact O-N 3.1Å
7S61.5Low60Low42 Ų4277.3 Ų77.329%0.29442%0.421SS..  trans-130140.5-17675.80000114.4A9 E10S7-A9 PolarHBondContact O-N 3.27Å; S7-E10 PolarHBondContact O-N 3.1Å; S7-E10 VanDerWaalsContact OG-CG 3.29Å; S7-E10 WeakPolarHBondContact OG-CG 3.29Å; S7-E10 PolarHBondContact OG-N 3.1Å; S7-E10 PolarHBondContact OG-OE1 3.21Å
8L65.9Low60.8Low40 Ų4074.4 Ų74.421%0.20940%0.404CS..Hα-helixtrans-58.8-29.7173.2-168111.2000111.4L11 E12 L49 L50 R53L8-L11 PolarHBondContact O-N 3.34Å; L8-E12 PolarHBondContact O-N 3.46Å; L8-E12 VanDerWaalsContact O-N 3.09Å; L8-L49 HydrophobicContact CB-CD2 4.43Å; L8-L49 HydrophobicContact CD1-CB 4.12Å; L8-L49 HydrophobicContact CD1-CD2 3.42Å; L8-L49 VanDerWaalsContact CD1-CD2 3.42Å; L8-L49 HydrophobicContact CD1-CG 3.76Å; L8-L50 HydrophobicContact CD1-CD2 3.92Å; L8-L50 HydrophobicContact CD1-CG 4.34Å; L8-L50 HydrophobicContact CG-CD2 4.08Å; L8-R53 HydrophobicContact CD1-CB 4.5Å; L8-R53 HydrophobicContact CD2-CB 4.39Å
9A67.4Low61.5Low57 Ų5774.1 Ų74.147%0.47140%0.397SS..Hα-helixtrans-65-38.7177.400000112.8S7 L11 E12 V13S7-A9 PolarHBondContact O-N 3.27Å; A9-L11 VanDerWaalsContact C-N 3.31Å; A9-L11 PolarHBondContact O-N 3.09Å; A9-E12 PolarHBondContact O-N 3.29Å; A9-V13 VanDerWaalsContact O-CG2 3.28Å; A9-V13 WeakPolarHBondContact O-CG2 3.11Å; A9-V13 PolarHBondContact O-N 3.07Å
10E70.8Confident62.3Low85 Ų8574.7 Ų74.740%0.39740%0.404SS..Hα-helixtrans-63.1-38.5174.5-76.9153.5-137.800111.9S7 V13 L14S7-E10 PolarHBondContact O-N 3.1Å; S7-E10 VanDerWaalsContact OG-CG 3.29Å; S7-E10 WeakPolarHBondContact OG-CG 3.29Å; S7-E10 PolarHBondContact OG-N 3.1Å; S7-E10 PolarHBondContact OG-OE1 3.21Å; E10-V13 PolarHBondContact O-N 3.41Å; E10-L14 VanDerWaalsContact O-CG 3.31Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.08Å
11L70.5Confident62.8Low8 Ų871.7 Ų71.74%0.04239%0.39CS..Hα-helixtrans-68-38.4177.3-70.4167.9000111.8L8 A9 L14 C15 L37 L50L8-L11 PolarHBondContact O-N 3.34Å; A9-L11 VanDerWaalsContact C-N 3.31Å; A9-L11 PolarHBondContact O-N 3.09Å; L11-L14 HydrophobicContact CD2-CD1 4.44Å; L11-L14 PolarHBondContact O-N 3.33Å; L11-C15 PolarHBondContact O-N 2.77Å; L11-C15 PolarHBondContact O-SG 2.89Å; L11-L37 HydrophobicContact CD2-CD1 4.21Å; L11-L37 HydrophobicContact CD2-CD2 3.64Å; L11-L50 HydrophobicContact CB-CD2 4.06Å; L11-L50 HydrophobicContact CD1-CD1 4.19Å; L11-L50 HydrophobicContact CD1-CD2 4.41Å; L11-L50 HydrophobicContact CD1-CG 4.42Å
12E73.8Confident64.9Low33 Ų3367.6 Ų67.615%0.15438%0.378CS..Hα-helixtrans-68.4-36.6175.2-71-174.3150.100112.6L8 A9 C15 T16 T55 A59L8-E12 PolarHBondContact O-N 3.46Å; L8-E12 VanDerWaalsContact O-N 3.09Å; A9-E12 PolarHBondContact O-N 3.29Å; E12-C15 WeakPolarHBondContact O-CB 3.37Å; E12-C15 PolarHBondContact O-N 2.95Å; E12-T16 PolarHBondContact O-N 3.35Å; E12-T16 VanDerWaalsContact O-N 3.08Å; E12-T16 PolarHBondContact O-OG1 3.06Å; E12-T55 VanDerWaalsContact CD-OG1 3.28Å; E12-T55 PolarHBondContact OE1-N 2.97Å; E12-T55 PolarHBondContact OE1-OG1 3.33Å; E12-T55 PolarHBondContact OE2-OG1 3.02Å; E12-A59 HydrophobicContact CG-CB 4.14Å
13V74.8Confident67.3Low78 Ų7866.2 Ų66.247%0.47336%0.358SS..Hα-helixtrans-62.7-45.5172.8169.60000110.3A9 E10 C15 T16 H17A9-V13 VanDerWaalsContact O-CG2 3.28Å; A9-V13 WeakPolarHBondContact O-CG2 3.11Å; A9-V13 PolarHBondContact O-N 3.07Å; E10-V13 PolarHBondContact O-N 3.41Å; V13-C15 VanDerWaalsContact C-N 3.35Å; V13-C15 PolarHBondContact O-N 3.43Å; V13-T16 WeakPolarHBondContact O-CB 3.45Å; V13-T16 PolarHBondContact O-N 2.99Å; V13-H17 WeakPolarHBondContact CG1-NE2 3.31Å; V13-H17 PolarHBondContact O-CD2 3Å; V13-H17 PolarHBondContact O-N 2.81Å
14L72.4Confident69.1Low36 Ų3666.5 Ų66.519%0.18836%0.36CS..Hα-helixtrans-59.4-41.2174.7-73.2167.8000112.6F5 E10 L11 T16 H17 L18 A30 A33F5-L14 HydrophobicContact CD1-CD1 4.25Å; F5-L14 HydrophobicContact CE1-CD1 3.57Å; F5-L14 HydrophobicContact CZ-CD1 4.09Å; E10-L14 VanDerWaalsContact O-CG 3.31Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.08Å; L11-L14 HydrophobicContact CD2-CD1 4.44Å; L11-L14 PolarHBondContact O-N 3.33Å; L14-T16 VanDerWaalsContact C-N 3.26Å; L14-T16 PolarHBondContact O-N 3.44Å; L14-H17 PolarHBondContact O-N 3.23Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 PolarHBondContact O-N 2.88Å; L14-A30 HydrophobicContact CD2-CB 4.02Å; L14-A33 HydrophobicContact CD1-CB 4.08Å; L14-A33 HydrophobicContact CD2-CB 3.93Å
15C71.2Confident70.7Confident1 Ų163.7 Ų63.71%0.00735%0.353CS..Hα-helixtrans-57.5-41.8173.1-680000112.3L11 E12 V13 L18 Y19 L62L11-C15 PolarHBondContact O-N 2.77Å; L11-C15 PolarHBondContact O-SG 2.89Å; E12-C15 WeakPolarHBondContact O-CB 3.37Å; E12-C15 PolarHBondContact O-N 2.95Å; V13-C15 VanDerWaalsContact C-N 3.35Å; V13-C15 PolarHBondContact O-N 3.43Å; C15-L18 PolarHBondContact O-N 3.23Å; C15-Y19 WeakPolarHBondContact O-CD2 3.28Å; C15-Y19 PolarHBondContact O-N 2.79Å; C15-L62 WeakPolarHBondContact SG-CB 3.28Å; C15-L62 WeakPolarHBondContact SG-CD2 3.41Å
16T73.8Confident71.7Confident71 Ų7166 Ų6644%0.43636%0.364SS..Hα-helixtrans-67.1-43.5-177.7-47.60000110.3E12 V13 L14 L18 V20 G21E12-T16 PolarHBondContact O-N 3.35Å; E12-T16 VanDerWaalsContact O-N 3.08Å; E12-T16 PolarHBondContact O-OG1 3.06Å; V13-T16 WeakPolarHBondContact O-CB 3.45Å; V13-T16 PolarHBondContact O-N 2.99Å; L14-T16 VanDerWaalsContact C-N 3.26Å; L14-T16 PolarHBondContact O-N 3.44Å; T16-L18 PolarHBondContact O-N 2.82Å; T16-V20 HydrophobicContact CG2-CB 4.29Å; T16-V20 HydrophobicContact CG2-CG2 4.46Å; T16-V20 WeakPolarHBondContact O-CA 3.41Å; T16-V20 VanDerWaalsContact O-CB 3.28Å; T16-V20 WeakPolarHBondContact O-CB 3.47Å; T16-V20 PolarHBondContact O-N 3.01Å; T16-G21 PolarHBondContact O-N 3.39Å; T16-G21 VanDerWaalsContact O-N 3.15Å
17H78Confident73Confident64 Ų6462.1 Ų62.130%0.29634%0.342SS..Hα-helixtrans-63.9-38174-68.4-67000112.7V13 L14 G21 Q26 R27 A30V13-H17 WeakPolarHBondContact CG1-NE2 3.31Å; V13-H17 PolarHBondContact O-CD2 3Å; V13-H17 PolarHBondContact O-N 2.81Å; L14-H17 PolarHBondContact O-N 3.23Å; H17-G21 WeakPolarHBondContact O-CA 3.37Å; H17-G21 PolarHBondContact O-N 3.17Å; H17-Q26 PolarHBondContact CE1-OE1 3.03Å; H17-Q26 PolarHBondContact ND1-OE1 2.76Å; H17-R27 VanDerWaalsContact O-CG 3.29Å; H17-R27 WeakPolarHBondContact O-CG 3.23Å; H17-A30 HydrophobicContact CB-CB 4.2Å
18L74.9Confident73.7Confident25 Ų2564.8 Ų64.813%0.13135%0.352CS..Hα-helixtrans-69-52-178.3-150.9102.7000112.1L14 C15 T16 R27 A30 E31 L34L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 PolarHBondContact O-N 2.88Å; C15-L18 PolarHBondContact O-N 3.23Å; T16-L18 PolarHBondContact O-N 2.82Å; L18-R27 PolarHBondContact O-NE 3.44Å; L18-A30 HydrophobicContact CB-CB 4.41Å; L18-A30 HydrophobicContact CD1-CB 3.7Å; L18-E31 HydrophobicContact CD1-CB 4.41Å; L18-E31 HydrophobicContact CD1-CG 3.74Å; L18-L34 HydrophobicContact CD1-CD1 4.1Å; L18-L34 HydrophobicContact CD2-CD1 4.02Å
19Y74.9Confident74.3Confident68 Ų6869.5 Ų69.527%0.26737%0.372SS..Hα-helixtrans-93.4-29-171.1-64.9-69.1000113.9C15 R27 Y58 L61C15-Y19 WeakPolarHBondContact O-CD2 3.28Å; C15-Y19 PolarHBondContact O-N 2.79Å; Y19-R27 PolarHBondContact O-NH2 2.98Å; Y19-Y58 HydrophobicContact CD1-CD1 4.5Å; Y19-Y58 AromaticContact CD2-CD1 3.94Å; Y19-Y58 HydrophobicContact CD2-CD1 3.94Å; Y19-Y58 HydrophobicContact CD2-CG 4.4Å; Y19-Y58 AromaticContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CE1 4.35Å; Y19-L61 HydrophobicContact CE1-CD2 3.97Å; Y19-L61 HydrophobicContact CE2-CD2 4.42Å
20V77.1Confident74.6Confident87 Ų8766.9 Ų66.953%0.52735%0.351SS..THydrogen-bonded Turntrans-109.1-23.3-175.6-173.10000112.6T16 T22T16-V20 HydrophobicContact CG2-CB 4.29Å; T16-V20 HydrophobicContact CG2-CG2 4.46Å; T16-V20 WeakPolarHBondContact O-CA 3.41Å; T16-V20 VanDerWaalsContact O-CB 3.28Å; T16-V20 WeakPolarHBondContact O-CB 3.47Å; T16-V20 PolarHBondContact O-N 3.01Å; V20-T22 PolarHBondContact O-N 2.65Å
21G72.1Confident74.9Confident12 Ų1268.4 Ų68.412%0.12436%0.358CS..  trans-60.1131.3-175.600000114.2T16 H17 R27T16-G21 PolarHBondContact O-N 3.39Å; T16-G21 VanDerWaalsContact O-N 3.15Å; H17-G21 WeakPolarHBondContact O-CA 3.37Å; H17-G21 PolarHBondContact O-N 3.17Å; G21-R27 PolarHBondContact O-NE 3.4Å; G21-R27 PolarHBondContact O-NH1 3.03Å; G21-R27 PolarHBondContact O-NH2 2.94Å
22T71.2Confident75.3Confident147 Ų14774.3 Ų74.390%0.90238%0.384SS*.  trans-88.3-18.5173.248.90000112.9V20V20-T22 PolarHBondContact O-N 2.65Å
23D79.3Confident75.3Confident65 Ų6573.3 Ų73.335%0.34838%0.381SS..  trans-83.5122.3178.9-171.1-14.3000111.5T25 Q26 R27D23-T25 VanDerWaalsContact C-N 3.3Å; D23-T25 VanDerWaalsContact CG-OG1 3.25Å; D23-T25 PolarHBondContact O-N 3.39Å; D23-T25 PolarHBondContact OD1-N 2.88Å; D23-T25 PolarHBondContact OD1-OG1 3.35Å; D23-T25 PolarHBondContact OD2-OG1 3.37Å; D23-Q26 HydrophobicContact CB-CB 4.35Å; D23-Q26 HydrophobicContact CB-CG 4.18Å; D23-R27 PolarHBondContact O-N 3.38Å
24L75.8Confident75.2Confident128 Ų12870.2 Ų70.267%0.6736%0.362SS*.Hα-helixtrans-64.7-33.5-178.4-155.286000112.2R27 I28L24-R27 PolarHBondContact O-N 2.93Å; L24-I28 HydrophobicContact CD2-CD1 4.36Å; L24-I28 HydrophobicContact CG-CD1 4.34Å; L24-I28 WeakPolarHBondContact O-CD1 3.3Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3.43Å; L24-I28 VanDerWaalsContact O-N 3.14Å
25T76.4Confident75.2Confident84 Ų8473.1 Ų73.152%0.51538%0.377SS..Hα-helixtrans-70.1-44.5-177.456.10000111.6D23 R27 I28 E29D23-T25 VanDerWaalsContact C-N 3.3Å; D23-T25 VanDerWaalsContact CG-OG1 3.25Å; D23-T25 PolarHBondContact O-N 3.39Å; D23-T25 PolarHBondContact OD1-N 2.88Å; D23-T25 PolarHBondContact OD1-OG1 3.35Å; D23-T25 PolarHBondContact OD2-OG1 3.37Å; T25-R27 VanDerWaalsContact C-N 3.33Å; T25-R27 PolarHBondContact O-N 3.39Å; T25-I28 PolarHBondContact O-N 2.97Å; T25-E29 PolarHBondContact O-N 3.42Å
26Q75.6Confident75.4Confident76 Ų7676.3 Ų76.336%0.35539%0.392SS..Hα-helixtrans-64.9-35.3176.2-64.5-1781.600112.5H17 D23 A30H17-Q26 PolarHBondContact CE1-OE1 3.03Å; H17-Q26 PolarHBondContact ND1-OE1 2.76Å; D23-Q26 HydrophobicContact CB-CB 4.35Å; D23-Q26 HydrophobicContact CB-CG 4.18Å; Q26-A30 VanDerWaalsContact O-CB 3.3Å; Q26-A30 WeakPolarHBondContact O-CB 3.32Å; Q26-A30 PolarHBondContact O-N 3.04Å
27R76.1Confident75.5Confident97 Ų9773.1 Ų73.137%0.36637%0.372SS..Hα-helixtrans-64.3-44.5173.9-89.9-176.4161.5152.92.5112.4H17 L18 Y19 G21 D23 L24 T25 A30 E31H17-R27 VanDerWaalsContact O-CG 3.29Å; H17-R27 WeakPolarHBondContact O-CG 3.23Å; L18-R27 PolarHBondContact O-NE 3.44Å; Y19-R27 PolarHBondContact O-NH2 2.98Å; G21-R27 PolarHBondContact O-NE 3.4Å; G21-R27 PolarHBondContact O-NH1 3.03Å; G21-R27 PolarHBondContact O-NH2 2.94Å; D23-R27 PolarHBondContact O-N 3.38Å; L24-R27 PolarHBondContact O-N 2.93Å; T25-R27 VanDerWaalsContact C-N 3.33Å; T25-R27 PolarHBondContact O-N 3.39Å; R27-A30 PolarHBondContact O-N 3.14Å; R27-E31 WeakPolarHBondContact O-CG 3.29Å; R27-E31 PolarHBondContact O-N 3.38Å
28I76.9Confident75.2Confident99 Ų9970.5 Ų70.551%0.50836%0.36SS..Hα-helixtrans-64.8-41.1178.5-68165.9000110.8L24 T25 E31 K32L24-I28 HydrophobicContact CD2-CD1 4.36Å; L24-I28 HydrophobicContact CG-CD1 4.34Å; L24-I28 WeakPolarHBondContact O-CD1 3.3Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3.43Å; L24-I28 VanDerWaalsContact O-N 3.14Å; T25-I28 PolarHBondContact O-N 2.97Å; I28-E31 PolarHBondContact O-N 3.27Å; I28-K32 WeakPolarHBondContact O-CB 3.46Å; I28-K32 PolarHBondContact O-N 3.34Å
29E76.8Confident75Confident138 Ų13875 Ų7565%0.64538%0.384SS*.Hα-helixtrans-64.3-41.8175.3-74.3-176.4168.600112T25 K32 A33T25-E29 PolarHBondContact O-N 3.42Å; E29-K32 PolarHBondContact O-N 3.16Å; E29-A33 WeakPolarHBondContact O-CB 3.36Å; E29-A33 PolarHBondContact O-N 2.66Å
30A74.5Confident75Confident3 Ų373.1 Ų73.13%0.02538%0.381CS..Hα-helixtrans-65.6-38.5176.100000112.6L14 H17 L18 Q26 R27 A33 L34L14-A30 HydrophobicContact CD2-CB 4.02Å; H17-A30 HydrophobicContact CB-CB 4.2Å; L18-A30 HydrophobicContact CB-CB 4.41Å; L18-A30 HydrophobicContact CD1-CB 3.7Å; Q26-A30 VanDerWaalsContact O-CB 3.3Å; Q26-A30 WeakPolarHBondContact O-CB 3.32Å; Q26-A30 PolarHBondContact O-N 3.04Å; R27-A30 PolarHBondContact O-N 3.14Å; A30-A33 PolarHBondContact O-N 3.42Å; A30-L34 WeakPolarHBondContact O-CB 3.41Å; A30-L34 PolarHBondContact O-N 3Å
31E77.3Confident74.7Confident116 Ų11675.3 Ų75.354%0.54240%0.397SS..Hα-helixtrans-63.6-40.2173.6-79.8-174.1169.500112.4L18 R27 I28 L34 L35L18-E31 HydrophobicContact CD1-CB 4.41Å; L18-E31 HydrophobicContact CD1-CG 3.74Å; R27-E31 WeakPolarHBondContact O-CG 3.29Å; R27-E31 PolarHBondContact O-N 3.38Å; I28-E31 PolarHBondContact O-N 3.27Å; E31-L34 WeakPolarHBondContact O-CB 3.44Å; E31-L34 PolarHBondContact O-N 3.26Å; E31-L35 PolarHBondContact O-N 3.11Å; E31-L35 VanDerWaalsContact O-N 3.11Å
32K77.8Confident74.8Confident133 Ų13378.7 Ų78.758%0.57841%0.409SS*.Hα-helixtrans-65.8-45.1177.2-170.6-179.2176.5-174.20111.6I28 E29 L34 L35 E36I28-K32 WeakPolarHBondContact O-CB 3.46Å; I28-K32 PolarHBondContact O-N 3.34Å; E29-K32 PolarHBondContact O-N 3.16Å; K32-L34 VanDerWaalsContact C-N 3.25Å; K32-L34 PolarHBondContact O-N 2.94Å; K32-L35 PolarHBondContact O-N 3.37Å; K32-E36 PolarHBondContact O-N 3.24Å; K32-E36 VanDerWaalsContact O-N 3.09Å
33A73.9Confident75.1Confident12 Ų1271.8 Ų71.810%0.09937%0.367CS..Hα-helixtrans-59-36.5174.400000112.5F5 L14 E29 A30 E36 L37F5-A33 HydrophobicContact CZ-CB 3.84Å; L14-A33 HydrophobicContact CD1-CB 4.08Å; L14-A33 HydrophobicContact CD2-CB 3.93Å; E29-A33 WeakPolarHBondContact O-CB 3.36Å; E29-A33 PolarHBondContact O-N 2.66Å; A30-A33 PolarHBondContact O-N 3.42Å; A33-E36 PolarHBondContact O-N 3.27Å; A33-L37 PolarHBondContact O-N 2.93Å
34L72.7Confident75Confident13 Ų1370.9 Ų70.97%0.06836%0.362CS..Hα-helixtrans-68.5-38.5177.7-168.5158.7000112.2L18 A30 E31 K32 L37 I38 L62 K69L18-L34 HydrophobicContact CD1-CD1 4.1Å; L18-L34 HydrophobicContact CD2-CD1 4.02Å; A30-L34 WeakPolarHBondContact O-CB 3.41Å; A30-L34 PolarHBondContact O-N 3Å; E31-L34 WeakPolarHBondContact O-CB 3.44Å; E31-L34 PolarHBondContact O-N 3.26Å; K32-L34 VanDerWaalsContact C-N 3.25Å; K32-L34 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 3.47Å; L34-I38 HydrophobicContact CD2-CD1 3.59Å; L34-I38 HydrophobicContact CD2-CG1 4.43Å; L34-I38 WeakPolarHBondContact O-CD1 3.48Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 3.26Å; L34-L62 HydrophobicContact CD1-CD1 3.14Å; L34-L62 HydrophobicContact CG-CD1 3.79Å; L34-K69 HydrophobicContact CD2-CD 4.49Å
35L72.7Confident75.3Confident97 Ų9767.9 Ų67.951%0.50835%0.352SS..Hα-helixtrans-64.4-43.2172.7-70.7169.2000111.5E31 K32 L37 I38 D39E31-L35 PolarHBondContact O-N 3.11Å; E31-L35 VanDerWaalsContact O-N 3.11Å; K32-L35 PolarHBondContact O-N 3.37Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.15Å; L35-I38 PolarHBondContact O-N 3.26Å; L35-D39 PolarHBondContact O-N 2.98Å; L35-D39 VanDerWaalsContact O-N 3.1Å
36E76.1Confident75.4Confident68 Ų6865.2 Ų65.232%0.31833%0.333SS..Hα-helixtrans-62.6-38175.2-69.4-179.5-17000112.2K32 A33 D39 S40K32-E36 PolarHBondContact O-N 3.24Å; K32-E36 VanDerWaalsContact O-N 3.09Å; A33-E36 PolarHBondContact O-N 3.27Å; E36-D39 PolarHBondContact O-N 2.73Å; E36-S40 PolarHBondContact O-N 3.35Å; E36-S40 VanDerWaalsContact O-N 3.16Å
37L75.3Confident75.8Confident3 Ų361.7 Ų61.72%0.01632%0.317CS..Hα-helixtrans-63.1-42.6174.1-179.669.7000111.7F5 L11 A33 L34 L35 D39 S40 C43 K46F5-L37 HydrophobicContact CD2-CD1 4.32Å; L11-L37 HydrophobicContact CD2-CD1 4.21Å; L11-L37 HydrophobicContact CD2-CD2 3.64Å; A33-L37 PolarHBondContact O-N 2.93Å; L34-L37 PolarHBondContact O-N 3.47Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.15Å; L37-D39 VanDerWaalsContact C-N 3.29Å; L37-D39 PolarHBondContact O-N 3.37Å; L37-S40 WeakPolarHBondContact O-CB 3.38Å; L37-S40 PolarHBondContact O-N 3Å; L37-S40 VanDerWaalsContact O-N 3.14Å; L37-S40 PolarHBondContact O-OG 3.34Å; L37-C43 WeakPolarHBondContact O-CB 3.38Å; L37-K46 HydrophobicContact CD1-CD 3.74Å
38I71.7Confident76Confident9 Ų960.3 Ų60.35%0.04632%0.315CS..Hα-helixtrans-59.8-44.7177.5-71.1162000109.6L34 L35 S40 C66 K69 R73L34-I38 HydrophobicContact CD2-CD1 3.59Å; L34-I38 HydrophobicContact CD2-CG1 4.43Å; L34-I38 WeakPolarHBondContact O-CD1 3.48Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 3.26Å; L35-I38 PolarHBondContact O-N 3.26Å; I38-S40 PolarHBondContact O-N 3.44Å; I38-C66 HydrophobicContact CG1-CB 4.34Å; I38-K69 HydrophobicContact CD1-CB 3.74Å; I38-K69 HydrophobicContact CD1-CD 3.37Å; I38-K69 HydrophobicContact CD1-CG 4.19Å; I38-R73 VanDerWaalsContact CG2-NH2 3.29Å; I38-R73 PolarHBondContact O-NH2 3.42Å
39D71.1Confident76.2Confident121 Ų12158.9 Ų58.965%0.64731%0.308SS*.Hα-helixtrans-68.8-11.3178.6-67.8-19.4000114.6L35 E36 L37 R73L35-D39 PolarHBondContact O-N 2.98Å; L35-D39 VanDerWaalsContact O-N 3.1Å; E36-D39 PolarHBondContact O-N 2.73Å; L37-D39 VanDerWaalsContact C-N 3.29Å; L37-D39 PolarHBondContact O-N 3.37Å; D39-R73 IonicContact OD1-CZ 3Å; D39-R73 IonicContact OD1-NH2 3.9Å; D39-R73 PolarHBondContact OD1-NH2 3.27Å
40S75.5Confident76.4Confident27 Ų2752.4 Ų52.419%0.18928%0.277CS..SBendtrans-75.3141.9175.480.50000113.1E36 L37 I38 E42 C43E36-S40 PolarHBondContact O-N 3.35Å; E36-S40 VanDerWaalsContact O-N 3.16Å; L37-S40 WeakPolarHBondContact O-CB 3.38Å; L37-S40 PolarHBondContact O-N 3Å; L37-S40 VanDerWaalsContact O-N 3.14Å; L37-S40 PolarHBondContact O-OG 3.34Å; I38-S40 PolarHBondContact O-N 3.44Å; S40-E42 PolarHBondContact O-N 3.12Å; S40-C43 VanDerWaalsContact O-CB 3.29Å; S40-C43 WeakPolarHBondContact O-CB 3.42Å; S40-C43 PolarHBondContact O-N 3.44Å; S40-C43 PolarHBondContact OG-N 3.44Å
41P69.3Low76.7Confident134 Ų13452.4 Ų52.487%0.8728%0.277SS*.THydrogen-bonded Turntrans-67.6-18174.627.4-34000113.1C43P41-C43 VanDerWaalsContact C-N 3.33Å
42E74.1Confident76.9Confident82 Ų8252.6 Ų52.638%0.38328%0.278SS..THydrogen-bonded Turntrans-883.6177.9-62.3174.9175.800113.1S40 L44 S45 K46S40-E42 PolarHBondContact O-N 3.12Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.28Å; E42-S45 PolarHBondContact O-N 3.03Å; E42-S45 PolarHBondContact O-OG 2.95Å; E42-K46 HydrophobicContact CB-CD 4.24Å; E42-K46 HydrophobicContact CB-CG 4.5Å; E42-K46 WeakPolarHBondContact O-CB 3.3Å; E42-K46 WeakPolarHBondContact O-CG 3.42Å; E42-K46 PolarHBondContact O-N 2.97Å; E42-K46 WeakPolarHBondContact OE2-CE 3.5Å; E42-K46 IonicContact OE2-NZ 2.77Å; E42-K46 PolarHBondContact OE2-NZ 3.35Å
43C78.2Confident76.9Confident2 Ų254.5 Ų54.51%0.01428%0.281CS..Hα-helixtrans-55.7-43.6-175.4-178.30000112.5L37 S40 P41 K46 C47L37-C43 WeakPolarHBondContact O-CB 3.38Å; S40-C43 VanDerWaalsContact O-CB 3.29Å; S40-C43 WeakPolarHBondContact O-CB 3.42Å; S40-C43 PolarHBondContact O-N 3.44Å; S40-C43 PolarHBondContact OG-N 3.44Å; P41-C43 VanDerWaalsContact C-N 3.33Å; C43-K46 PolarHBondContact O-N 2.89Å; C43-C47 WeakPolarHBondContact O-CB 3.4Å; C43-C47 PolarHBondContact O-N 3.14Å; C43-C47 PolarHBondContact O-SG 3.49Å
44L78.3Confident76.9Confident46 Ų4654.6 Ų54.624%0.24128%0.284CS..Hα-helixtrans-68.5-43.2-176-166.6145000112.4E42 C47 Q48 I85E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.28Å; L44-C47 PolarHBondContact O-N 3.39Å; L44-Q48 WeakPolarHBondContact O-CG 3.48Å; L44-Q48 PolarHBondContact O-N 3.11Å; L44-I85 HydrophobicContact CD1-CD1 3.58Å; L44-I85 HydrophobicContact CD1-CG1 3.68Å; L44-I85 HydrophobicContact CG-CG1 4.48Å
45S80.9Confident76.9Confident65 Ų6559.3 Ų59.346%0.45531%0.313SS..Hα-helixtrans-67.4-37.8176.556.60000111.6E42 Q48 L49E42-S45 PolarHBondContact O-N 3.03Å; E42-S45 PolarHBondContact O-OG 2.95Å; S45-Q48 PolarHBondContact O-N 2.8Å; S45-L49 WeakPolarHBondContact O-CB 3.23Å; S45-L49 PolarHBondContact O-N 3.33Å
46K79.6Confident77.3Confident29 Ų2957.1 Ų57.113%0.12630%0.304CS..Hα-helixtrans-66.4-38.4174.1-71.7178.2-178.8173.50112.3F5 L37 E42 C43 L49 L50F5-K46 PolarHBondContact O-NZ 3.04Å; L37-K46 HydrophobicContact CD1-CD 3.74Å; E42-K46 HydrophobicContact CB-CD 4.24Å; E42-K46 HydrophobicContact CB-CG 4.5Å; E42-K46 WeakPolarHBondContact O-CB 3.3Å; E42-K46 WeakPolarHBondContact O-CG 3.42Å; E42-K46 PolarHBondContact O-N 2.97Å; E42-K46 WeakPolarHBondContact OE2-CE 3.5Å; E42-K46 IonicContact OE2-NZ 2.77Å; E42-K46 PolarHBondContact OE2-NZ 3.35Å; C43-K46 PolarHBondContact O-N 2.89Å; K46-L49 PolarHBondContact O-N 3.4Å; K46-L50 WeakPolarHBondContact O-CB 3.43Å; K46-L50 VanDerWaalsContact O-CG 3.3Å; K46-L50 WeakPolarHBondContact O-CG 3.34Å; K46-L50 PolarHBondContact O-N 2.92Å
47C82.1Confident77.6Confident2 Ų256 Ų561%0.01430%0.304CS..Hα-helixtrans-64.7-41.7174.5-69.50000112.1C43 L44 L50 L51 A63 L67C43-C47 WeakPolarHBondContact O-CB 3.4Å; C43-C47 PolarHBondContact O-N 3.14Å; C43-C47 PolarHBondContact O-SG 3.49Å; L44-C47 PolarHBondContact O-N 3.39Å; C47-L50 PolarHBondContact O-N 3.37Å; C47-L51 WeakPolarHBondContact O-CG 3.42Å; C47-L51 PolarHBondContact O-N 3.42Å; C47-A63 HydrophobicContact CB-CB 4.27Å; C47-L67 HydrophobicContact CB-CD1 4.24Å; C47-L67 HydrophobicContact CB-CD2 3.96Å; C47-L67 HydrophobicContact CB-CG 3.93Å
48Q81.6Confident77.9Confident68 Ų6861 Ų6132%0.31832%0.323SS..Hα-helixtrans-62.4-44.2173.8-73.1174.9-21.500111.5L44 S45 L50 L51 E52 Y88L44-Q48 WeakPolarHBondContact O-CG 3.48Å; L44-Q48 PolarHBondContact O-N 3.11Å; S45-Q48 PolarHBondContact O-N 2.8Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-L50 PolarHBondContact O-N 3.31Å; Q48-L51 PolarHBondContact O-N 2.9Å; Q48-E52 PolarHBondContact O-N 3.02Å; Q48-Y88 HydrophobicContact CG-CE1 4.1Å; Q48-Y88 HydrophobicContact CG-CE2 4.4Å
49L80.8Confident78.4Confident69 Ų6960.5 Ų60.536%0.36132%0.321SS..Hα-helixtrans-60.8-40.9177.4-153.988.6000111.9L8 S45 K46 R53L8-L49 HydrophobicContact CB-CD2 4.43Å; L8-L49 HydrophobicContact CD1-CB 4.12Å; L8-L49 HydrophobicContact CD1-CD2 3.42Å; L8-L49 VanDerWaalsContact CD1-CD2 3.42Å; L8-L49 HydrophobicContact CD1-CG 3.76Å; S45-L49 WeakPolarHBondContact O-CB 3.23Å; S45-L49 PolarHBondContact O-N 3.33Å; K46-L49 PolarHBondContact O-N 3.4Å; L49-R53 WeakPolarHBondContact O-CB 3.48Å; L49-R53 PolarHBondContact O-N 3.32Å
50L80.2Confident79Confident1 Ų155.8 Ų55.81%0.00530%0.295CS..Hα-helixtrans-67.1-34.5176.2-75.2170.9000112.8L8 L11 K46 C47 Q48 G54 A59 L62 A63L8-L50 HydrophobicContact CD1-CD2 3.92Å; L8-L50 HydrophobicContact CD1-CG 4.34Å; L8-L50 HydrophobicContact CG-CD2 4.08Å; L11-L50 HydrophobicContact CB-CD2 4.06Å; L11-L50 HydrophobicContact CD1-CD1 4.19Å; L11-L50 HydrophobicContact CD1-CD2 4.41Å; L11-L50 HydrophobicContact CD1-CG 4.42Å; K46-L50 WeakPolarHBondContact O-CB 3.43Å; K46-L50 VanDerWaalsContact O-CG 3.3Å; K46-L50 WeakPolarHBondContact O-CG 3.34Å; K46-L50 PolarHBondContact O-N 2.92Å; C47-L50 PolarHBondContact O-N 3.37Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-L50 PolarHBondContact O-N 3.31Å; L50-G54 VanDerWaalsContact O-CA 3.23Å; L50-G54 WeakPolarHBondContact O-CA 3.48Å; L50-G54 PolarHBondContact O-N 3.04Å; L50-A59 HydrophobicContact CD2-CB 4.35Å; L50-L62 HydrophobicContact CD1-CD2 4.36Å; L50-A63 HydrophobicContact CB-CB 3.96Å; L50-A63 HydrophobicContact CD1-CB 4.37Å
51L81.8Confident79.4Confident3 Ų356 Ų562%0.01629%0.293CS..Hα-helixtrans-72.8-38.6176.3-70.2169.4000111.9C47 Q48 Q60 A63 L67 Y88 Y92 L107C47-L51 WeakPolarHBondContact O-CG 3.42Å; C47-L51 PolarHBondContact O-N 3.42Å; Q48-L51 PolarHBondContact O-N 2.9Å; L51-Q60 HydrophobicContact CD2-CB 4.18Å; L51-A63 HydrophobicContact CD1-CB 4.46Å; L51-A63 HydrophobicContact CD2-CB 4.02Å; L51-A63 HydrophobicContact CG-CB 3.86Å; L51-L67 HydrophobicContact CD1-CD1 4.22Å; L51-Y88 HydrophobicContact CD1-CE1 3.91Å; L51-Y92 HydrophobicContact CB-CE2 4.22Å; L51-Y92 HydrophobicContact CD2-CE1 4.22Å; L51-Y92 WeakPolarHBondContact O-CE2 3.5Å; L51-Y92 PolarHBondContact O-OH 3.46Å; L51-L107 HydrophobicContact CD1-CD2 4.34Å; L51-L107 HydrophobicContact CD2-CD1 4.35Å; L51-L107 HydrophobicContact CD2-CD2 4.09Å
52E81.1Confident80.1Confident121 Ų12149.8 Ų49.857%0.56525%0.253SS*.Hα-helixtrans-82.8-35.8-178.1-74.1170.3-16100114Q48 Y88Q48-E52 PolarHBondContact O-N 3.02Å; E52-Y88 WeakPolarHBondContact CG-OH 3.46Å; E52-Y88 PolarHBondContact OE1-OH 3.03Å
53R78.5Confident80.5Confident172 Ų17245.9 Ų45.965%0.64924%0.235SC*.Hα-helixtrans-118.1-2.3-171.4-57.9-173.2179.9-173.3-0.3114.4L8 L49 T55L8-R53 HydrophobicContact CD1-CB 4.5Å; L8-R53 HydrophobicContact CD2-CB 4.39Å; L49-R53 WeakPolarHBondContact O-CB 3.48Å; L49-R53 PolarHBondContact O-N 3.32Å; R53-T55 PolarHBondContact O-N 3.35Å
54G73.4Confident80.9Confident15 Ų1545.9 Ų45.916%0.15524%0.235CC..  trans-61.8131.517900000111.6L50L50-G54 VanDerWaalsContact O-CA 3.23Å; L50-G54 WeakPolarHBondContact O-CA 3.48Å; L50-G54 PolarHBondContact O-N 3.04Å
55T72.8Confident81.1Confident112 Ų11245.5 Ų45.569%0.68724%0.235SC*.SBendtrans-87-16.5-178.761.20000112.8E12 R53E12-T55 VanDerWaalsContact CD-OG1 3.28Å; E12-T55 PolarHBondContact OE1-N 2.97Å; E12-T55 PolarHBondContact OE1-OG1 3.33Å; E12-T55 PolarHBondContact OE2-OG1 3.02Å; R53-T55 PolarHBondContact O-N 3.35Å
56T81.3Confident81.2Confident51 Ų5142.4 Ų42.431%0.31321%0.213SC..SBendtrans-123146.8-177.366.10000112.6Y58 A59 Q60T56-Y58 PolarHBondContact O-N 2.93Å; T56-A59 WeakPolarHBondContact O-CB 3.44Å; T56-A59 PolarHBondContact O-N 3.38Å; T56-A59 VanDerWaalsContact O-N 3.12Å; T56-A59 WeakPolarHBondContact OG1-CB 3.27Å; T56-A59 PolarHBondContact OG1-N 3.13Å; T56-Q60 PolarHBondContact O-N 2.85Å
57S83Confident81.5Confident45 Ų4541.3 Ų41.332%0.31521%0.208SC..Hα-helixtrans-64.3-24.8175.1-53.90000113Q60 L61 V103S57-Q60 PolarHBondContact O-N 3.43Å; S57-L61 PolarHBondContact O-N 3.42Å; S57-V103 VanDerWaalsContact O-CG2 3.31Å; S57-V103 WeakPolarHBondContact O-CG2 3.24Å
58Y80.9Confident81.6Confident106 Ų10642 Ų4242%0.41621%0.213SC..Hα-helixtrans-71.6-30.8173.8-65.6-72000112.8Y19 T56 L61 L62Y19-Y58 HydrophobicContact CD1-CD1 4.5Å; Y19-Y58 AromaticContact CD2-CD1 3.94Å; Y19-Y58 HydrophobicContact CD2-CD1 3.94Å; Y19-Y58 HydrophobicContact CD2-CG 4.4Å; Y19-Y58 AromaticContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CE1 4.35Å; T56-Y58 PolarHBondContact O-N 2.93Å; Y58-L61 PolarHBondContact O-N 3.38Å; Y58-L62 WeakPolarHBondContact O-CB 3.44Å; Y58-L62 PolarHBondContact O-N 3.44Å
59A81.4Confident81.7Confident0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-65.3-40.517200000111.9E12 L50 T56 L62 A63E12-A59 HydrophobicContact CG-CB 4.14Å; L50-A59 HydrophobicContact CD2-CB 4.35Å; T56-A59 WeakPolarHBondContact O-CB 3.44Å; T56-A59 PolarHBondContact O-N 3.38Å; T56-A59 VanDerWaalsContact O-N 3.12Å; T56-A59 WeakPolarHBondContact OG1-CB 3.27Å; T56-A59 PolarHBondContact OG1-N 3.13Å; A59-L62 WeakPolarHBondContact O-CB 3.49Å; A59-L62 PolarHBondContact O-N 3.31Å; A59-A63 PolarHBondContact O-N 2.85Å
60Q84.8Confident81.7Confident22 Ų2240.5 Ų40.510%0.10320%0.203CC..Hα-helixtrans-67.3-38.3175-61.2168.7-24.500111.6L51 T56 S57 A63 A64 Y92 V103L51-Q60 HydrophobicContact CD2-CB 4.18Å; T56-Q60 PolarHBondContact O-N 2.85Å; S57-Q60 PolarHBondContact O-N 3.43Å; Q60-A63 PolarHBondContact O-N 3.28Å; Q60-A64 PolarHBondContact O-N 3.09Å; Q60-Y92 PolarHBondContact NE2-OH 3.22Å; Q60-V103 HydrophobicContact CB-CG1 3.59Å; Q60-V103 HydrophobicContact CB-CG2 4.23Å
61L83.9Confident81.7Confident30 Ų3040.6 Ų40.616%0.15720%0.204CC..Hα-helixtrans-65-39.6173.6-177.663.6000112.4Y19 S57 Y58 A63 A64 T65 F102 A106Y19-L61 HydrophobicContact CE1-CD2 3.97Å; Y19-L61 HydrophobicContact CE2-CD2 4.42Å; S57-L61 PolarHBondContact O-N 3.42Å; Y58-L61 PolarHBondContact O-N 3.38Å; L61-A63 VanDerWaalsContact C-N 3.35Å; L61-A64 PolarHBondContact O-N 3.47Å; L61-T65 WeakPolarHBondContact O-CB 3.4Å; L61-T65 PolarHBondContact O-N 2.73Å; L61-T65 PolarHBondContact O-OG1 3Å; L61-F102 HydrophobicContact CB-CE2 4.3Å; L61-F102 HydrophobicContact CD1-CD2 4.35Å; L61-F102 HydrophobicContact CD2-CD2 4.07Å; L61-F102 HydrophobicContact CD2-CE2 4.17Å; L61-A106 HydrophobicContact CD1-CB 3.52Å
62L82.6Confident81.3Confident5 Ų543 Ų433%0.02622%0.22CC..Hα-helixtrans-59.2-48.1173.1177.371.2000110.3C15 L34 L50 Y58 A59 A64 T65 C66C15-L62 WeakPolarHBondContact SG-CB 3.28Å; C15-L62 WeakPolarHBondContact SG-CD2 3.41Å; L34-L62 HydrophobicContact CD1-CD1 3.14Å; L34-L62 HydrophobicContact CG-CD1 3.79Å; L50-L62 HydrophobicContact CD1-CD2 4.36Å; Y58-L62 WeakPolarHBondContact O-CB 3.44Å; Y58-L62 PolarHBondContact O-N 3.44Å; A59-L62 WeakPolarHBondContact O-CB 3.49Å; A59-L62 PolarHBondContact O-N 3.31Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.11Å; L62-T65 WeakPolarHBondContact O-CB 3.31Å; L62-T65 PolarHBondContact O-N 3.04Å; L62-T65 VanDerWaalsContact O-N 3.13Å; L62-C66 WeakPolarHBondContact O-CB 3.14Å; L62-C66 PolarHBondContact O-N 3.21Å; L62-C66 PolarHBondContact O-SG 2.89Å; L62-C66 VanDerWaalsContact O-SG 3.38Å
63A84.1Confident81Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-58.4-45.7177.700000111.6C47 L50 L51 A59 Q60 L61 T65 C66 L67C47-A63 HydrophobicContact CB-CB 4.27Å; L50-A63 HydrophobicContact CB-CB 3.96Å; L50-A63 HydrophobicContact CD1-CB 4.37Å; L51-A63 HydrophobicContact CD1-CB 4.46Å; L51-A63 HydrophobicContact CD2-CB 4.02Å; L51-A63 HydrophobicContact CG-CB 3.86Å; A59-A63 PolarHBondContact O-N 2.85Å; Q60-A63 PolarHBondContact O-N 3.28Å; L61-A63 VanDerWaalsContact C-N 3.35Å; A63-T65 VanDerWaalsContact C-N 3.33Å; A63-T65 PolarHBondContact O-N 2.87Å; A63-C66 PolarHBondContact O-N 3.49Å; A63-L67 WeakPolarHBondContact O-CB 3.38Å; A63-L67 VanDerWaalsContact O-CG 3.27Å; A63-L67 WeakPolarHBondContact O-CG 3.45Å; A63-L67 PolarHBondContact O-N 3.43Å
64A85.4Confident80Confident1 Ų139.6 Ų39.61%0.00822%0.219CC..Hα-helixtrans-60.3-41174.900000112.4Q60 L61 L62 L67 S68 A106 L107 V110Q60-A64 PolarHBondContact O-N 3.09Å; L61-A64 PolarHBondContact O-N 3.47Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.11Å; A64-L67 PolarHBondContact O-N 3.48Å; A64-S68 WeakPolarHBondContact O-CB 3.2Å; A64-S68 PolarHBondContact O-N 3.25Å; A64-A106 HydrophobicContact CB-CB 3.73Å; A64-L107 HydrophobicContact CB-CD2 3.76Å; A64-L107 HydrophobicContact CB-CG 4.1Å; A64-V110 VanDerWaalsContact O-CG2 3.31Å; A64-V110 WeakPolarHBondContact O-CG2 3.28Å
65T83.7Confident79.6Confident39 Ų3943.3 Ų43.324%0.23924%0.243CC..Hα-helixtrans-66.4-44178.5-56.10000111.8L61 L62 A63 S68 K69L61-T65 WeakPolarHBondContact O-CB 3.4Å; L61-T65 PolarHBondContact O-N 2.73Å; L61-T65 PolarHBondContact O-OG1 3Å; L62-T65 WeakPolarHBondContact O-CB 3.31Å; L62-T65 PolarHBondContact O-N 3.04Å; L62-T65 VanDerWaalsContact O-N 3.13Å; A63-T65 VanDerWaalsContact C-N 3.33Å; A63-T65 PolarHBondContact O-N 2.87Å; T65-S68 WeakPolarHBondContact O-CB 3.29Å; T65-S68 PolarHBondContact O-N 3.1Å; T65-K69 PolarHBondContact O-N 2.64Å
66C83.1Confident79.3Confident0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-62.5-45.7175.6-72.30000111.3I38 L62 A63 S68 K69 L70I38-C66 HydrophobicContact CG1-CB 4.34Å; L62-C66 WeakPolarHBondContact O-CB 3.14Å; L62-C66 PolarHBondContact O-N 3.21Å; L62-C66 PolarHBondContact O-SG 2.89Å; L62-C66 VanDerWaalsContact O-SG 3.38Å; A63-C66 PolarHBondContact O-N 3.49Å; C66-S68 VanDerWaalsContact C-N 3.35Å; C66-S68 PolarHBondContact O-N 3.35Å; C66-K69 PolarHBondContact O-N 3.35Å; C66-L70 VanDerWaalsContact O-CB 3.24Å; C66-L70 WeakPolarHBondContact O-CB 3.31Å; C66-L70 PolarHBondContact O-N 3.4Å
67L85.1Confident79.1Confident6 Ų640.8 Ų40.83%0.03123%0.227CC..Hα-helixtrans-61.1-41.9174.8-70.8171.6000111.9C47 L51 A63 A64 L70 V71 I85 I89 V110C47-L67 HydrophobicContact CB-CD1 4.24Å; C47-L67 HydrophobicContact CB-CD2 3.96Å; C47-L67 HydrophobicContact CB-CG 3.93Å; L51-L67 HydrophobicContact CD1-CD1 4.22Å; A63-L67 WeakPolarHBondContact O-CB 3.38Å; A63-L67 VanDerWaalsContact O-CG 3.27Å; A63-L67 WeakPolarHBondContact O-CG 3.45Å; A63-L67 PolarHBondContact O-N 3.43Å; A64-L67 PolarHBondContact O-N 3.48Å; L67-L70 PolarHBondContact O-N 3.1Å; L67-V71 WeakPolarHBondContact O-CB 3.49Å; L67-V71 VanDerWaalsContact O-CG2 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.42Å; L67-V71 PolarHBondContact O-N 3.26Å; L67-I85 HydrophobicContact CD2-CG2 4.36Å; L67-I89 HydrophobicContact CD1-CD1 4.25Å; L67-V110 HydrophobicContact CB-CG1 4.17Å; L67-V110 HydrophobicContact CB-CG2 4.3Å
68S85.1Confident79.1Confident17 Ų1742.2 Ų42.212%0.11924%0.235CC..Hα-helixtrans-58.8-49.5176.1-1560000111.5A64 T65 C66 V71 S72 K113A64-S68 WeakPolarHBondContact O-CB 3.2Å; A64-S68 PolarHBondContact O-N 3.25Å; T65-S68 WeakPolarHBondContact O-CB 3.29Å; T65-S68 PolarHBondContact O-N 3.1Å; C66-S68 VanDerWaalsContact C-N 3.35Å; C66-S68 PolarHBondContact O-N 3.35Å; S68-V71 PolarHBondContact O-N 3.41Å; S68-S72 WeakPolarHBondContact O-CB 3.28Å; S68-S72 PolarHBondContact O-N 3.19Å; S68-S72 VanDerWaalsContact O-N 3.09Å; S68-S72 PolarHBondContact O-OG 3.33Å; S68-K113 WeakPolarHBondContact OG-CD 3.32Å; S68-K113 PolarHBondContact OG-NZ 3.44Å
69K81.8Confident79.1Confident96 Ų9639.3 Ų39.342%0.41723%0.229SC..Hα-helixtrans-66.1-38.5178.3-73.7-179.2175.4-179.20112.4L34 I38 T65 C66 V71 S72 R73L34-K69 HydrophobicContact CD2-CD 4.49Å; I38-K69 HydrophobicContact CD1-CB 3.74Å; I38-K69 HydrophobicContact CD1-CD 3.37Å; I38-K69 HydrophobicContact CD1-CG 4.19Å; T65-K69 PolarHBondContact O-N 2.64Å; C66-K69 PolarHBondContact O-N 3.35Å; K69-V71 PolarHBondContact O-N 3.21Å; K69-S72 PolarHBondContact O-N 3.49Å; K69-R73 PolarHBondContact O-N 3.45Å
70L82.3Confident79.1Confident9 Ų945.3 Ų45.35%0.04726%0.257CS..Hα-helixtrans-61.4-43.5177.8-173.173.1000111.5C66 L67 R73 L77C66-L70 VanDerWaalsContact O-CB 3.24Å; C66-L70 WeakPolarHBondContact O-CB 3.31Å; C66-L70 PolarHBondContact O-N 3.4Å; L67-L70 PolarHBondContact O-N 3.1Å; L70-R73 VanDerWaalsContact CD1-NH1 3.27Å; L70-R73 WeakPolarHBondContact O-CG 3.42Å; L70-L77 HydrophobicContact CD2-CD1 4Å; L70-L77 HydrophobicContact CG-CD1 4.01Å
71V79.6Confident79Confident3 Ų348.5 Ų48.52%0.01827%0.271CS..Hα-helixtrans-70.5-32.6178.1169.30000112.1L67 S68 K69 R73 I114 L117L67-V71 WeakPolarHBondContact O-CB 3.49Å; L67-V71 VanDerWaalsContact O-CG2 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.42Å; L67-V71 PolarHBondContact O-N 3.26Å; S68-V71 PolarHBondContact O-N 3.41Å; K69-V71 PolarHBondContact O-N 3.21Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 PolarHBondContact O-N 3.26Å; V71-I114 HydrophobicContact CB-CG1 4.33Å; V71-I114 HydrophobicContact CG1-CG1 3.64Å; V71-I114 HydrophobicContact CG2-CD1 4.04Å; V71-I114 HydrophobicContact CG2-CG1 3.77Å; V71-L117 HydrophobicContact CG1-CD1 3.62Å; V71-L117 WeakPolarHBondContact O-CD1 3.48Å
72S74Confident79Confident52 Ų5247.5 Ų47.536%0.36427%0.266SS..THydrogen-bonded Turntrans-80.30.2-179.1-70.60000115.1S68 K69 R168S68-S72 WeakPolarHBondContact O-CB 3.28Å; S68-S72 PolarHBondContact O-N 3.19Å; S68-S72 VanDerWaalsContact O-N 3.09Å; S68-S72 PolarHBondContact O-OG 3.33Å; K69-S72 PolarHBondContact O-N 3.49Å; S72-R168 PolarHBondContact O-NH2 2.94Å
73R73.5Confident79.1Confident73 Ų7348.9 Ų48.928%0.27527%0.273SS..SBendtrans-54.3153.7179.2-78.4-179.7162.1171.9-3.6113.7I38 D39 K69 L70 V71 S75 R168I38-R73 VanDerWaalsContact CG2-NH2 3.29Å; I38-R73 PolarHBondContact O-NH2 3.42Å; D39-R73 IonicContact OD1-CZ 3Å; D39-R73 IonicContact OD1-NH2 3.9Å; D39-R73 PolarHBondContact OD1-NH2 3.27Å; K69-R73 PolarHBondContact O-N 3.45Å; L70-R73 VanDerWaalsContact CD1-NH1 3.27Å; L70-R73 WeakPolarHBondContact O-CG 3.42Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 PolarHBondContact O-N 3.26Å; R73-S75 VanDerWaalsContact C-N 3.28Å; R73-S75 WeakPolarHBondContact CB-O 3.35Å; R73-S75 PolarHBondContact O-N 3.21Å; R73-R168 PolarHBondContact O-NH2 3.28Å
74V59Low79.1Confident150 Ų15054 Ų5491%0.90930%0.3SS*.SBendtrans-61.5-39.4176-176.50000110.8P76V74-P76 WeakPolarHBondContact O-CD 3.36Å
75S63.2Low79.1Confident93 Ų9354.2 Ų54.265%0.6530%0.301SS*.SBendtrans-88.2113.2167170.70000109.1R73R73-S75 VanDerWaalsContact C-N 3.28Å; R73-S75 WeakPolarHBondContact CB-O 3.35Å; R73-S75 PolarHBondContact O-N 3.21Å
76P67.4Low79.3Confident82 Ų8252.6 Ų52.653%0.53229%0.29SS..PPolyproline II helixtrans-71.114117828.8-32.9000110.8V74V74-P76 WeakPolarHBondContact O-CD 3.36Å
77L78Confident79.6Confident28 Ų2855.1 Ų55.115%0.14730%0.304CS..PPolyproline II helixtrans-60.1154170.4-69.7175.1000111.4L70 R82 I85L70-L77 HydrophobicContact CD2-CD1 4Å; L70-L77 HydrophobicContact CG-CD1 4.01Å; L77-R82 HydrophobicContact CB-CG 3.88Å; L77-R82 PolarHBondContact O-NE 2.99Å; L77-R82 PolarHBondContact O-NH2 3.02Å; L77-R82 VanDerWaalsContact O-NH2 3.15Å; L77-I85 HydrophobicContact CD1-CD1 3.91Å
78P81.5Confident79.7Confident74 Ų7457.2 Ų57.248%0.48131%0.311SS..PPolyproline II helixtrans-50.1145.9170.4-2533.4000112.3E80 Q81 R82P78-E80 VanDerWaalsContact C-N 3.29Å; P78-E80 PolarHBondContact O-N 3.03Å; P78-Q81 HydrophobicContact CB-CB 4.48Å; P78-Q81 HydrophobicContact CB-CG 4.35Å; P78-Q81 HydrophobicContact CG-CG 4.44Å; P78-Q81 PolarHBondContact O-N 3.45Å; P78-R82 PolarHBondContact O-N 3.35Å; P78-R82 VanDerWaalsContact O-N 3.1Å
79V80.6Confident79.9Confident46 Ų4656.4 Ų56.428%0.27931%0.306SS..Hα-helixtrans-57.1-44.1-177.8179.30000111.2Q81 R82 M83 F129V79-Q81 PolarHBondContact O-N 3.11Å; V79-R82 PolarHBondContact O-N 3.12Å; V79-M83 HydrophobicContact CG1-SD 4.31Å; V79-M83 WeakPolarHBondContact O-CG 3.48Å; V79-M83 PolarHBondContact O-N 2.9Å; V79-F129 HydrophobicContact CG1-CE2 3.95Å; V79-F129 HydrophobicContact CG1-CZ 4.28Å
80E82.3Confident80.1Confident126 Ų12652.2 Ų52.259%0.58929%0.288SS*.Hα-helixtrans-59.7-47.7179-63.1-178.3167.400111.8P78 R82 M83 D84P78-E80 VanDerWaalsContact C-N 3.29Å; P78-E80 PolarHBondContact O-N 3.03Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.14Å; E80-M83 WeakPolarHBondContact O-CB 3.42Å; E80-M83 PolarHBondContact O-N 3.46Å; E80-M83 VanDerWaalsContact O-N 3.14Å; E80-D84 VanDerWaalsContact O-CG 3.3Å; E80-D84 PolarHBondContact O-N 3.49Å
81Q82.6Confident80.4Confident88 Ų8857.3 Ų57.341%0.41132%0.315SS..Hα-helixtrans-62.8-37.5177.6-69.6-175.1-7.300112.3P78 V79 D84 I85P78-Q81 HydrophobicContact CB-CB 4.48Å; P78-Q81 HydrophobicContact CB-CG 4.35Å; P78-Q81 HydrophobicContact CG-CG 4.44Å; P78-Q81 PolarHBondContact O-N 3.45Å; V79-Q81 PolarHBondContact O-N 3.11Å; Q81-D84 PolarHBondContact O-N 3.48Å; Q81-I85 WeakPolarHBondContact O-CD1 3.31Å; Q81-I85 WeakPolarHBondContact O-CG1 3.4Å; Q81-I85 PolarHBondContact O-N 3.33Å
82R84.6Confident80.8Confident10 Ų1058.4 Ų58.44%0.03832%0.319CS..Hα-helixtrans-67.4-37175.4-77.1-174-79.5151.1-4.7112.3L77 P78 V79 E80 R86 I114 E121 F129L77-R82 HydrophobicContact CB-CG 3.88Å; L77-R82 PolarHBondContact O-NE 2.99Å; L77-R82 PolarHBondContact O-NH2 3.02Å; L77-R82 VanDerWaalsContact O-NH2 3.15Å; P78-R82 PolarHBondContact O-N 3.35Å; P78-R82 VanDerWaalsContact O-N 3.1Å; V79-R82 PolarHBondContact O-N 3.12Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.14Å; R82-R86 WeakPolarHBondContact O-CB 3.25Å; R82-R86 PolarHBondContact O-N 3.33Å; R82-I114 HydrophobicContact CB-CG2 4.15Å; R82-E121 IonicContact CZ-OE1 2.73Å; R82-E121 IonicContact CZ-OE2 2.82Å; R82-E121 VanDerWaalsContact CZ-OE2 3.27Å; R82-E121 VanDerWaalsContact NH1-CD 3.26Å; R82-E121 IonicContact NH1-OE1 2.7Å; R82-E121 PolarHBondContact NH1-OE1 3.34Å; R82-E121 IonicContact NH1-OE2 3.12Å; R82-E121 PolarHBondContact NH1-OE2 2.93Å; R82-E121 VanDerWaalsContact NH2-CD 3.28Å; R82-E121 IonicContact NH2-OE1 3.19Å; R82-E121 PolarHBondContact NH2-OE1 2.79Å; R82-E121 IonicContact NH2-OE2 3.27Å; R82-E121 PolarHBondContact NH2-OE2 2.89Å; R82-E121 VanDerWaalsContact NH2-OE2 3.12Å; R82-F129 HydrophobicContact CB-CE1 4.47Å; R82-F129 HydrophobicContact CB-CZ 4.17Å
83M83.7Confident81.4Confident34 Ų3456 Ų5617%0.16730%0.302CS..Hα-helixtrans-65.3-43.4173.3-73.7179.750.300111.7V79 E80 R86 N87 Q123 V128 F129V79-M83 HydrophobicContact CG1-SD 4.31Å; V79-M83 WeakPolarHBondContact O-CG 3.48Å; V79-M83 PolarHBondContact O-N 2.9Å; E80-M83 WeakPolarHBondContact O-CB 3.42Å; E80-M83 PolarHBondContact O-N 3.46Å; E80-M83 VanDerWaalsContact O-N 3.14Å; M83-R86 PolarHBondContact O-N 3.46Å; M83-N87 WeakPolarHBondContact O-CB 3.47Å; M83-N87 PolarHBondContact O-N 3.01Å; M83-N87 PolarHBondContact O-ND2 3.35Å; M83-Q123 PolarHBondContact SD-OE1 2.98Å; M83-V128 HydrophobicContact CE-CB 4.48Å; M83-V128 HydrophobicContact CE-CG1 3.37Å; M83-V128 HydrophobicContact CG-CG1 4.42Å; M83-V128 HydrophobicContact SD-CB 4.12Å; M83-V128 HydrophobicContact SD-CG1 3.58Å; M83-V128 VanDerWaalsContact SD-CG1 3.58Å; M83-F129 HydrophobicContact CG-CE1 4.05Å; M83-F129 HydrophobicContact CG-CE2 4.39Å; M83-F129 HydrophobicContact CG-CZ 3.72Å
84D85Confident82Confident106 Ų10653.9 Ų53.957%0.56730%0.3SS*.Hα-helixtrans-61.7-45.2178-68.4-22.5000111.1E80 Q81 R86 N87 Y88E80-D84 VanDerWaalsContact O-CG 3.3Å; E80-D84 PolarHBondContact O-N 3.49Å; Q81-D84 PolarHBondContact O-N 3.48Å; D84-R86 PolarHBondContact O-N 3.01Å; D84-N87 PolarHBondContact O-N 2.99Å; D84-Y88 WeakPolarHBondContact O-CB 3.28Å; D84-Y88 PolarHBondContact O-N 3.35Å
85I85.7Confident83.2Confident6 Ų650.2 Ų50.23%0.03128%0.282CS..Hα-helixtrans-59.2-48.6174.8-64.6162.5000110.5L44 L67 L77 Q81 Y88 I89 I114L44-I85 HydrophobicContact CD1-CD1 3.58Å; L44-I85 HydrophobicContact CD1-CG1 3.68Å; L44-I85 HydrophobicContact CG-CG1 4.48Å; L67-I85 HydrophobicContact CD2-CG2 4.36Å; L77-I85 HydrophobicContact CD1-CD1 3.91Å; Q81-I85 WeakPolarHBondContact O-CD1 3.31Å; Q81-I85 WeakPolarHBondContact O-CG1 3.4Å; Q81-I85 PolarHBondContact O-N 3.33Å; I85-Y88 PolarHBondContact O-N 2.84Å; I85-I89 HydrophobicContact CG2-CD1 3.7Å; I85-I89 HydrophobicContact CG2-CG1 4.39Å; I85-I89 VanDerWaalsContact O-CG1 3.25Å; I85-I89 WeakPolarHBondContact O-CG1 3.24Å; I85-I89 PolarHBondContact O-N 2.82Å; I85-I114 HydrophobicContact CB-CD1 4.13Å; I85-I114 HydrophobicContact CG2-CD1 3.68Å
86R87.9Confident84.1Confident5 Ų550.5 Ų50.52%0.01927%0.273CS..Hα-helixtrans-59.1-51.4-179.9-177.5-163.469179.30.8111.6R82 M83 D84 Y88 I89 L90 I111 I114 V128R82-R86 WeakPolarHBondContact O-CB 3.25Å; R82-R86 PolarHBondContact O-N 3.33Å; M83-R86 PolarHBondContact O-N 3.46Å; D84-R86 PolarHBondContact O-N 3.01Å; R86-Y88 VanDerWaalsContact C-N 3.33Å; R86-Y88 PolarHBondContact O-N 3.36Å; R86-I89 PolarHBondContact O-N 3.4Å; R86-L90 HydrophobicContact CG-CD1 4.12Å; R86-L90 WeakPolarHBondContact O-CG 3.46Å; R86-L90 PolarHBondContact O-N 3.5Å; R86-I111 HydrophobicContact CG-CG2 4.28Å; R86-I114 HydrophobicContact CB-CD1 4.42Å; R86-I114 HydrophobicContact CB-CG2 4.28Å; R86-V128 PolarHBondContact NH1-O 2.91Å
87N88Confident84.5Confident53 Ų5348.1 Ų48.128%0.28326%0.257SS..Hα-helixtrans-66.5-37.6-177-66.4-12.3000111.1M83 D84 L90 N91M83-N87 WeakPolarHBondContact O-CB 3.47Å; M83-N87 PolarHBondContact O-N 3.01Å; M83-N87 PolarHBondContact O-ND2 3.35Å; D84-N87 PolarHBondContact O-N 2.99Å; N87-L90 PolarHBondContact O-N 3.44Å; N87-N91 WeakPolarHBondContact O-CB 3.4Å; N87-N91 VanDerWaalsContact O-CG 3.3Å; N87-N91 PolarHBondContact O-N 3.45Å; N87-N91 PolarHBondContact O-ND2 3.15Å
88Y88.2Confident84.5Confident50 Ų5055.1 Ų55.120%0.19629%0.286CS..Hα-helixtrans-60.4-50.9173.6177.9-94.1000111.5Q48 L51 E52 D84 I85 R86 L90 N91 Y92Q48-Y88 HydrophobicContact CG-CE1 4.1Å; Q48-Y88 HydrophobicContact CG-CE2 4.4Å; L51-Y88 HydrophobicContact CD1-CE1 3.91Å; E52-Y88 WeakPolarHBondContact CG-OH 3.46Å; E52-Y88 PolarHBondContact OE1-OH 3.03Å; D84-Y88 WeakPolarHBondContact O-CB 3.28Å; D84-Y88 PolarHBondContact O-N 3.35Å; I85-Y88 PolarHBondContact O-N 2.84Å; R86-Y88 VanDerWaalsContact C-N 3.33Å; R86-Y88 PolarHBondContact O-N 3.36Å; Y88-L90 VanDerWaalsContact C-N 3.35Å; Y88-L90 PolarHBondContact O-N 2.98Å; Y88-N91 PolarHBondContact O-N 2.87Å; Y88-Y92 VanDerWaalsContact O-CB 3.28Å; Y88-Y92 WeakPolarHBondContact O-CB 3.38Å; Y88-Y92 PolarHBondContact O-N 3.26Å
89I88.3Confident84.6Confident0 Ų052.7 Ų52.70%027%0.269CS..Hα-helixtrans-63.4-41.8-179.7-62168.5000110.8L67 I85 R86 N91 Y92 V93 L107 V110 I111L67-I89 HydrophobicContact CD1-CD1 4.25Å; I85-I89 HydrophobicContact CG2-CD1 3.7Å; I85-I89 HydrophobicContact CG2-CG1 4.39Å; I85-I89 VanDerWaalsContact O-CG1 3.25Å; I85-I89 WeakPolarHBondContact O-CG1 3.24Å; I85-I89 PolarHBondContact O-N 2.82Å; R86-I89 PolarHBondContact O-N 3.4Å; I89-N91 PolarHBondContact O-N 3.3Å; I89-Y92 PolarHBondContact O-N 2.7Å; I89-V93 HydrophobicContact CG2-CG2 4.18Å; I89-V93 WeakPolarHBondContact O-CG2 3.41Å; I89-V93 PolarHBondContact O-N 3.21Å; I89-L107 HydrophobicContact CG1-CD2 4.44Å; I89-L107 HydrophobicContact CG2-CB 3.73Å; I89-L107 HydrophobicContact CG2-CD2 4.08Å; I89-L107 HydrophobicContact CG2-CG 4.34Å; I89-V110 HydrophobicContact CD1-CB 4.09Å; I89-V110 HydrophobicContact CD1-CG1 3.71Å; I89-I111 HydrophobicContact CB-CD1 4Å; I89-I111 HydrophobicContact CB-CG1 4.06Å; I89-I111 HydrophobicContact CG2-CD1 3.49Å; I89-I111 VanDerWaalsContact CG2-CD1 3.49Å; I89-I111 HydrophobicContact CG2-CG1 3.86Å
90L87.1Confident84.8Confident9 Ų951.5 Ų51.55%0.04727%0.265CS..Hα-helixtrans-59-47.4176.6-77.7170.4000111.9R86 N87 Y88 A94 I111 F139 I153R86-L90 HydrophobicContact CG-CD1 4.12Å; R86-L90 WeakPolarHBondContact O-CG 3.46Å; R86-L90 PolarHBondContact O-N 3.5Å; N87-L90 PolarHBondContact O-N 3.44Å; Y88-L90 VanDerWaalsContact C-N 3.35Å; Y88-L90 PolarHBondContact O-N 2.98Å; L90-A94 WeakPolarHBondContact O-CB 3.43Å; L90-A94 PolarHBondContact O-N 3.31Å; L90-I111 HydrophobicContact CD2-CD1 3.77Å; L90-I111 HydrophobicContact CG-CD1 3.9Å; L90-F139 HydrophobicContact CD2-CE2 4.43Å; L90-I153 HydrophobicContact CD2-CD1 3.98Å
91N88.5Confident84.9Confident115 Ų11550.6 Ų50.662%0.61527%0.27SS*.Hα-helixtrans-66.5-38.2177.5-71.7-26.3000112.1N87 Y88 I89 A94 S95N87-N91 WeakPolarHBondContact O-CB 3.4Å; N87-N91 VanDerWaalsContact O-CG 3.3Å; N87-N91 PolarHBondContact O-N 3.45Å; N87-N91 PolarHBondContact O-ND2 3.15Å; Y88-N91 PolarHBondContact O-N 2.87Å; I89-N91 PolarHBondContact O-N 3.3Å; N91-A94 PolarHBondContact O-N 2.95Å; N91-S95 WeakPolarHBondContact O-CB 3.36Å; N91-S95 PolarHBondContact O-N 3.14Å; N91-S95 PolarHBondContact O-OG 3.05Å
92Y87.1Confident85Confident26 Ų2650.7 Ų50.710%0.10227%0.269CS..Hα-helixtrans-62.7-51178.7-178.2-99.6000111.2L51 Q60 Y88 I89 A94 S95 Q96 L99 L107L51-Y92 HydrophobicContact CB-CE2 4.22Å; L51-Y92 HydrophobicContact CD2-CE1 4.22Å; L51-Y92 WeakPolarHBondContact O-CE2 3.5Å; L51-Y92 PolarHBondContact O-OH 3.46Å; Q60-Y92 PolarHBondContact NE2-OH 3.22Å; Y88-Y92 VanDerWaalsContact O-CB 3.28Å; Y88-Y92 WeakPolarHBondContact O-CB 3.38Å; Y88-Y92 PolarHBondContact O-N 3.26Å; I89-Y92 PolarHBondContact O-N 2.7Å; Y92-A94 VanDerWaalsContact C-N 3.3Å; Y92-A94 PolarHBondContact O-N 3.12Å; Y92-S95 PolarHBondContact O-N 2.88Å; Y92-S95 VanDerWaalsContact O-N 3.14Å; Y92-S95 PolarHBondContact O-OG 3.31Å; Y92-Q96 PolarHBondContact O-N 3.14Å; Y92-Q96 VanDerWaalsContact O-N 3.11Å; Y92-L99 HydrophobicContact CD1-CD1 4.1Å; Y92-L99 HydrophobicContact CE1-CD1 3.48Å; Y92-L99 VanDerWaalsContact CE1-CD1 3.48Å; Y92-L107 HydrophobicContact CD1-CD1 3.99Å; Y92-L107 HydrophobicContact CE1-CD1 4.04Å
93V86.9Confident85.1Confident1 Ų150.2 Ų50.21%0.00627%0.267CS..Hα-helixtrans-65-34178178.90000111.4I89 I104 L107 I149I89-V93 HydrophobicContact CG2-CG2 4.18Å; I89-V93 WeakPolarHBondContact O-CG2 3.41Å; I89-V93 PolarHBondContact O-N 3.21Å; V93-I104 HydrophobicContact CG1-CG2 4.22Å; V93-L107 HydrophobicContact CG2-CB 4.28Å; V93-L107 HydrophobicContact CG2-CD1 4.04Å; V93-I149 HydrophobicContact CG1-CD1 3.99Å; V93-I149 HydrophobicContact CG1-CG1 4.31Å; V93-I149 HydrophobicContact CG1-CG2 3.53Å
94A85.4Confident85.2Confident29 Ų2949.1 Ų49.124%0.2426%0.262CS..Hα-helixtrans-64.5-40.6172.400000112.8L90 N91 Y92 Q96 F139 H146L90-A94 WeakPolarHBondContact O-CB 3.43Å; L90-A94 PolarHBondContact O-N 3.31Å; N91-A94 PolarHBondContact O-N 2.95Å; Y92-A94 VanDerWaalsContact C-N 3.3Å; Y92-A94 PolarHBondContact O-N 3.12Å; A94-Q96 VanDerWaalsContact C-N 3.34Å; A94-F139 HydrophobicContact CB-CE1 3.6Å; A94-F139 HydrophobicContact CB-CZ 3.7Å; A94-H146 PolarHBondContact O-NE2 2.85Å; A94-H146 VanDerWaalsContact O-NE2 3.12Å
95S85.6Confident85.3Confident74 Ų7446.7 Ų46.752%0.51725%0.247SC..Hα-helixtrans-75.1-22.2-178.169.70000113.9N91 Y92N91-S95 WeakPolarHBondContact O-CB 3.36Å; N91-S95 PolarHBondContact O-N 3.14Å; N91-S95 PolarHBondContact O-OG 3.05Å; Y92-S95 PolarHBondContact O-N 2.88Å; Y92-S95 VanDerWaalsContact O-N 3.14Å; Y92-S95 PolarHBondContact O-OG 3.31Å
96Q82.2Confident85.4Confident99 Ų9947 Ų4746%0.46325%0.251SS..  trans-130.867.3-173.2-65.6-66.8-19.700112Y92 A94 K98 L99Y92-Q96 PolarHBondContact O-N 3.14Å; Y92-Q96 VanDerWaalsContact O-N 3.11Å; A94-Q96 VanDerWaalsContact C-N 3.34Å; Q96-K98 PolarHBondContact O-N 3.13Å; Q96-K98 VanDerWaalsContact O-N 3.11Å; Q96-L99 HydrophobicContact CB-CD1 3.74Å; Q96-L99 HydrophobicContact CB-CG 3.92Å; Q96-L99 WeakPolarHBondContact O-CD1 3.45Å; Q96-L99 WeakPolarHBondContact O-CG 3.28Å; Q96-L99 PolarHBondContact O-N 2.95Å
97P75.6Confident85.5Confident32 Ų3246.8 Ų46.821%0.20825%0.25CC..THydrogen-bonded Turntrans-67.4-13.3-177.127.2-35000114.2E145 I149P97-E145 HydrophobicContact CB-CB 4.09Å; P97-I149 HydrophobicContact CB-CD1 3.92Å
98K78.8Confident85.6Confident174 Ų17444.3 Ų44.376%0.75724%0.236SC*.THydrogen-bonded Turntrans-93.39.9-178.7-63.5-175.4178.6-178.90114.5Q96Q96-K98 PolarHBondContact O-N 3.13Å; Q96-K98 VanDerWaalsContact O-N 3.11Å
99L83.3Confident85.7Confident23 Ų2345.3 Ų45.312%0.1224%0.243CC..SBendtrans-58.5156.2173.6-78.3162000111.2Y92 Q96 I104Y92-L99 HydrophobicContact CD1-CD1 4.1Å; Y92-L99 HydrophobicContact CE1-CD1 3.48Å; Y92-L99 VanDerWaalsContact CE1-CD1 3.48Å; Q96-L99 HydrophobicContact CB-CD1 3.74Å; Q96-L99 HydrophobicContact CB-CG 3.92Å; Q96-L99 WeakPolarHBondContact O-CD1 3.45Å; Q96-L99 WeakPolarHBondContact O-CG 3.28Å; Q96-L99 PolarHBondContact O-N 2.95Å; L99-I104 HydrophobicContact CB-CD1 3.93Å; L99-I104 HydrophobicContact CB-CG1 3.65Å; L99-I104 WeakPolarHBondContact O-CD1 3.45Å
100A84.4Confident85.7Confident22 Ų2245.3 Ų45.318%0.18224%0.243CC..  trans-58.7134.8176.600000110.4F102 V103 I104A100-F102 VanDerWaalsContact C-N 3.26Å; A100-F102 HydrophobicContact CB-CD1 3.99Å; A100-F102 HydrophobicContact CB-CE1 3.56Å; A100-F102 HydrophobicContact CB-CZ 3.89Å; A100-F102 PolarHBondContact O-N 3.41Å; A100-F102 VanDerWaalsContact O-N 3.13Å; A100-V103 HydrophobicContact CB-CG2 4.09Å; A100-V103 WeakPolarHBondContact O-CB 3.38Å; A100-V103 PolarHBondContact O-N 3.41Å; A100-I104 PolarHBondContact O-N 3.45Å
101P83.3Confident85.8Confident107 Ų10745 Ų4570%0.69524%0.241SC*.Hα-helixtrans-55.3-37.2-172.5-2934.5000114.5V103 I104 Q105P101-V103 VanDerWaalsContact C-N 3.32Å; P101-V103 PolarHBondContact O-N 3.18Å; P101-I104 PolarHBondContact O-N 2.92Å; P101-Q105 WeakPolarHBondContact O-CB 3.42Å; P101-Q105 PolarHBondContact O-N 3.03Å
102F84.7Confident85.9Confident89 Ų8939.6 Ų39.639%0.3921%0.213SC..Hα-helixtrans-69.2-27.5178.364.8-96.7000113.3L61 A100 A106L61-F102 HydrophobicContact CB-CE2 4.3Å; L61-F102 HydrophobicContact CD1-CD2 4.35Å; L61-F102 HydrophobicContact CD2-CD2 4.07Å; L61-F102 HydrophobicContact CD2-CE2 4.17Å; A100-F102 VanDerWaalsContact C-N 3.26Å; A100-F102 HydrophobicContact CB-CD1 3.99Å; A100-F102 HydrophobicContact CB-CE1 3.56Å; A100-F102 HydrophobicContact CB-CZ 3.89Å; A100-F102 PolarHBondContact O-N 3.41Å; A100-F102 VanDerWaalsContact O-N 3.13Å; F102-A106 WeakPolarHBondContact O-CB 3.37Å; F102-A106 PolarHBondContact O-N 3.09Å; F102-A106 VanDerWaalsContact O-N 3.09Å
103V86.9Confident85.9Confident0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-74.1-45.4174.7178.80000109.9S57 Q60 A100 P101 Q105 A106 L107S57-V103 VanDerWaalsContact O-CG2 3.31Å; S57-V103 WeakPolarHBondContact O-CG2 3.24Å; Q60-V103 HydrophobicContact CB-CG1 3.59Å; Q60-V103 HydrophobicContact CB-CG2 4.23Å; A100-V103 HydrophobicContact CB-CG2 4.09Å; A100-V103 WeakPolarHBondContact O-CB 3.38Å; A100-V103 PolarHBondContact O-N 3.41Å; P101-V103 VanDerWaalsContact C-N 3.32Å; P101-V103 PolarHBondContact O-N 3.18Å; V103-Q105 VanDerWaalsContact C-N 3.3Å; V103-Q105 PolarHBondContact O-N 3.09Å; V103-A106 PolarHBondContact O-N 3.43Å; V103-L107 HydrophobicContact CG1-CD1 4.03Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CB 3.4Å; V103-L107 WeakPolarHBondContact O-CG 3.43Å; V103-L107 PolarHBondContact O-N 2.8Å
104I86.8Confident85.9Confident12 Ų1241 Ų416%0.06222%0.219CC..Hα-helixtrans-56.4-48.5174.7-64.5176.6000109.6V93 L99 A100 P101 A106 L107 I108 I149V93-I104 HydrophobicContact CG1-CG2 4.22Å; L99-I104 HydrophobicContact CB-CD1 3.93Å; L99-I104 HydrophobicContact CB-CG1 3.65Å; L99-I104 WeakPolarHBondContact O-CD1 3.45Å; A100-I104 PolarHBondContact O-N 3.45Å; P101-I104 PolarHBondContact O-N 2.92Å; I104-A106 PolarHBondContact O-N 2.92Å; I104-L107 PolarHBondContact O-N 3.2Å; I104-I108 HydrophobicContact CG2-CD1 3.56Å; I104-I108 HydrophobicContact CG2-CG1 4.31Å; I104-I108 WeakPolarHBondContact O-CB 3.44Å; I104-I108 VanDerWaalsContact O-CG1 3.24Å; I104-I108 WeakPolarHBondContact O-CG1 3.38Å; I104-I108 PolarHBondContact O-N 2.87Å; I104-I149 HydrophobicContact CG2-CG1 4.48Å
105Q87.6Confident86Confident55 Ų5539.6 Ų39.626%0.25721%0.208SC..Hα-helixtrans-55.6-50.2176.5-173.772.311.300112.1P101 V103 L107 I108 Q109 E156P101-Q105 WeakPolarHBondContact O-CB 3.42Å; P101-Q105 PolarHBondContact O-N 3.03Å; V103-Q105 VanDerWaalsContact C-N 3.3Å; V103-Q105 PolarHBondContact O-N 3.09Å; Q105-L107 PolarHBondContact O-N 2.96Å; Q105-I108 PolarHBondContact O-N 3.36Å; Q105-Q109 WeakPolarHBondContact O-CG 3.48Å; Q105-Q109 PolarHBondContact O-N 3.49Å; Q105-E156 PolarHBondContact NE2-OE1 3.45Å; Q105-E156 PolarHBondContact NE2-OE2 3.24Å; Q105-E156 VanDerWaalsContact NE2-OE2 3.13Å
106A86.7Confident86.1Confident13 Ų1336.9 Ų36.911%0.10719%0.187CC..Hα-helixtrans-63.4-39.7-179.100000112.7L61 A64 F102 V103 I104 Q109 V110L61-A106 HydrophobicContact CD1-CB 3.52Å; A64-A106 HydrophobicContact CB-CB 3.73Å; F102-A106 WeakPolarHBondContact O-CB 3.37Å; F102-A106 PolarHBondContact O-N 3.09Å; F102-A106 VanDerWaalsContact O-N 3.09Å; V103-A106 PolarHBondContact O-N 3.43Å; I104-A106 PolarHBondContact O-N 2.92Å; A106-Q109 PolarHBondContact O-N 3.42Å; A106-V110 WeakPolarHBondContact O-CG2 3.38Å; A106-V110 PolarHBondContact O-N 3.32Å
107L89.6Confident86.1Confident0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-67-41.4176.3-74174.6000112.1L51 A64 I89 Y92 V93 V103 I104 Q105 Q109 V110 I111L51-L107 HydrophobicContact CD1-CD2 4.34Å; L51-L107 HydrophobicContact CD2-CD1 4.35Å; L51-L107 HydrophobicContact CD2-CD2 4.09Å; A64-L107 HydrophobicContact CB-CD2 3.76Å; A64-L107 HydrophobicContact CB-CG 4.1Å; I89-L107 HydrophobicContact CG1-CD2 4.44Å; I89-L107 HydrophobicContact CG2-CB 3.73Å; I89-L107 HydrophobicContact CG2-CD2 4.08Å; I89-L107 HydrophobicContact CG2-CG 4.34Å; Y92-L107 HydrophobicContact CD1-CD1 3.99Å; Y92-L107 HydrophobicContact CE1-CD1 4.04Å; V93-L107 HydrophobicContact CG2-CB 4.28Å; V93-L107 HydrophobicContact CG2-CD1 4.04Å; V103-L107 HydrophobicContact CG1-CD1 4.03Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CB 3.4Å; V103-L107 WeakPolarHBondContact O-CG 3.43Å; V103-L107 PolarHBondContact O-N 2.8Å; I104-L107 PolarHBondContact O-N 3.2Å; Q105-L107 PolarHBondContact O-N 2.96Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.94Å; L107-V110 WeakPolarHBondContact O-CB 3.49Å; L107-V110 PolarHBondContact O-N 2.89Å; L107-I111 PolarHBondContact O-N 3.34Å
108I90.8Very high86.5Confident0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-64.8-38.1175.9-69.3172.5000111I104 Q105 V110 I111 A112 I152 I153 E156I104-I108 HydrophobicContact CG2-CD1 3.56Å; I104-I108 HydrophobicContact CG2-CG1 4.31Å; I104-I108 WeakPolarHBondContact O-CB 3.44Å; I104-I108 VanDerWaalsContact O-CG1 3.24Å; I104-I108 WeakPolarHBondContact O-CG1 3.38Å; I104-I108 PolarHBondContact O-N 2.87Å; Q105-I108 PolarHBondContact O-N 3.36Å; I108-V110 VanDerWaalsContact C-N 3.27Å; I108-V110 PolarHBondContact O-N 3.11Å; I108-I111 WeakPolarHBondContact O-CA 3.4Å; I108-I111 WeakPolarHBondContact O-CB 3.47Å; I108-I111 PolarHBondContact O-N 3.32Å; I108-A112 PolarHBondContact O-N 3.47Å; I108-I152 HydrophobicContact CD1-CB 3.92Å; I108-I152 HydrophobicContact CD1-CG2 3.48Å; I108-I152 VanDerWaalsContact CD1-CG2 3.48Å; I108-I152 HydrophobicContact CG2-CG2 4.38Å; I108-I153 HydrophobicContact CD1-CG1 3.78Å; I108-I153 HydrophobicContact CG1-CG1 3.83Å; I108-I153 HydrophobicContact CG2-CB 4.31Å; I108-I153 HydrophobicContact CG2-CG1 3.99Å; I108-E156 HydrophobicContact CG2-CB 3.66Å; I108-E156 HydrophobicContact CG2-CG 3.73Å
109Q89.4Confident86.8Confident72 Ų7224 Ų2434%0.33613%0.128SC..Hα-helixtrans-60.3-36.1173.8-76.2176.4-6.800112.5Q105 A106 L107 A112 K113 E156Q105-Q109 WeakPolarHBondContact O-CG 3.48Å; Q105-Q109 PolarHBondContact O-N 3.49Å; A106-Q109 PolarHBondContact O-N 3.42Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.94Å; Q109-A112 PolarHBondContact O-N 3Å; Q109-K113 WeakPolarHBondContact O-CB 3.35Å; Q109-K113 VanDerWaalsContact O-CG 3.32Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 2.86Å; Q109-E156 WeakPolarHBondContact CG-OE2 3.49Å; Q109-E156 PolarHBondContact NE2-OE2 3.07Å; Q109-E156 VanDerWaalsContact NE2-OE2 3.13Å
110V89.3Confident86.7Confident0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-63.1-45.2172.4178.50000110.5A64 L67 I89 A106 L107 I108 A112 K113 I114A64-V110 VanDerWaalsContact O-CG2 3.31Å; A64-V110 WeakPolarHBondContact O-CG2 3.28Å; L67-V110 HydrophobicContact CB-CG1 4.17Å; L67-V110 HydrophobicContact CB-CG2 4.3Å; I89-V110 HydrophobicContact CD1-CB 4.09Å; I89-V110 HydrophobicContact CD1-CG1 3.71Å; A106-V110 WeakPolarHBondContact O-CG2 3.38Å; A106-V110 PolarHBondContact O-N 3.32Å; L107-V110 WeakPolarHBondContact O-CB 3.49Å; L107-V110 PolarHBondContact O-N 2.89Å; I108-V110 VanDerWaalsContact C-N 3.27Å; I108-V110 PolarHBondContact O-N 3.11Å; V110-A112 PolarHBondContact O-N 3.06Å; V110-K113 PolarHBondContact O-N 3.35Å; V110-I114 HydrophobicContact CG1-CD1 3.84Å; V110-I114 HydrophobicContact CG1-CG1 4.34Å; V110-I114 VanDerWaalsContact O-CG1 3.29Å; V110-I114 WeakPolarHBondContact O-CG1 3.31Å; V110-I114 PolarHBondContact O-N 3.31Å
111I89.5Confident86.5Confident1 Ų127.4 Ų27.41%0.00514%0.138CC..Hα-helixtrans-59.3-46.5176.5-68.2163.9000111.1R86 I89 L90 L107 I108 K113 I114 T115 I132R86-I111 HydrophobicContact CG-CG2 4.28Å; I89-I111 HydrophobicContact CB-CD1 4Å; I89-I111 HydrophobicContact CB-CG1 4.06Å; I89-I111 HydrophobicContact CG2-CD1 3.49Å; I89-I111 VanDerWaalsContact CG2-CD1 3.49Å; I89-I111 HydrophobicContact CG2-CG1 3.86Å; L90-I111 HydrophobicContact CD2-CD1 3.77Å; L90-I111 HydrophobicContact CG-CD1 3.9Å; L107-I111 PolarHBondContact O-N 3.34Å; I108-I111 WeakPolarHBondContact O-CA 3.4Å; I108-I111 WeakPolarHBondContact O-CB 3.47Å; I108-I111 PolarHBondContact O-N 3.32Å; I111-K113 PolarHBondContact O-N 3.17Å; I111-I114 PolarHBondContact O-N 3.19Å; I111-T115 WeakPolarHBondContact O-CB 3.47Å; I111-T115 PolarHBondContact O-N 3.44Å; I111-T115 PolarHBondContact O-OG1 3.25Å; I111-I132 HydrophobicContact CG2-CD1 3.32Å
112A89.8Confident86.2Confident3 Ų326.4 Ų26.43%0.02513%0.129CC..Hα-helixtrans-61.5-44.7179.400000111.4I108 Q109 V110 T115 K116 E156 E160I108-A112 PolarHBondContact O-N 3.47Å; Q109-A112 PolarHBondContact O-N 3Å; V110-A112 PolarHBondContact O-N 3.06Å; A112-T115 PolarHBondContact O-N 2.96Å; A112-K116 WeakPolarHBondContact O-CB 3.49Å; A112-K116 PolarHBondContact O-N 3.16Å; A112-E156 HydrophobicContact CB-CB 4.41Å; A112-E160 HydrophobicContact CB-CB 3.75Å; A112-E160 HydrophobicContact CB-CG 3.99Å
113K87.8Confident85.5Confident56 Ų5624.8 Ų24.824%0.24312%0.123CC..Hα-helixtrans-62.6-47.4175.7-76178.6-175.6-175.80112.4S68 Q109 V110 I111 T115 K116 L117 E160S68-K113 WeakPolarHBondContact OG-CD 3.32Å; S68-K113 PolarHBondContact OG-NZ 3.44Å; Q109-K113 WeakPolarHBondContact O-CB 3.35Å; Q109-K113 VanDerWaalsContact O-CG 3.32Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 2.86Å; V110-K113 PolarHBondContact O-N 3.35Å; I111-K113 PolarHBondContact O-N 3.17Å; K113-T115 VanDerWaalsContact C-N 3.26Å; K113-T115 PolarHBondContact O-N 3.34Å; K113-K116 PolarHBondContact O-N 2.98Å; K113-L117 WeakPolarHBondContact O-CB 3.29Å; K113-L117 VanDerWaalsContact O-CG 3.26Å; K113-L117 WeakPolarHBondContact O-CG 3.42Å; K113-L117 PolarHBondContact O-N 3.47Å; K113-E160 HydrophobicContact CG-CG 4.05Å
114I87.6Confident84.7Confident0 Ų034.1 Ų34.10%016%0.164CC..Hα-helixtrans-56.3-46.1176.1-70.2170.3000109.9V71 R82 I85 R86 V110 I111 L117 G118 F129V71-I114 HydrophobicContact CB-CG1 4.33Å; V71-I114 HydrophobicContact CG1-CG1 3.64Å; V71-I114 HydrophobicContact CG2-CD1 4.04Å; V71-I114 HydrophobicContact CG2-CG1 3.77Å; R82-I114 HydrophobicContact CB-CG2 4.15Å; I85-I114 HydrophobicContact CB-CD1 4.13Å; I85-I114 HydrophobicContact CG2-CD1 3.68Å; R86-I114 HydrophobicContact CB-CD1 4.42Å; R86-I114 HydrophobicContact CB-CG2 4.28Å; V110-I114 HydrophobicContact CG1-CD1 3.84Å; V110-I114 HydrophobicContact CG1-CG1 4.34Å; V110-I114 VanDerWaalsContact O-CG1 3.29Å; V110-I114 WeakPolarHBondContact O-CG1 3.31Å; V110-I114 PolarHBondContact O-N 3.31Å; I111-I114 PolarHBondContact O-N 3.19Å; I114-L117 PolarHBondContact O-N 3.35Å; I114-G118 PolarHBondContact O-N 2.91Å; I114-F129 HydrophobicContact CG2-CD1 3.99Å; I114-F129 HydrophobicContact CG2-CE1 3.51Å; I114-F129 HydrophobicContact CG2-CZ 4.44Å
115T86.9Confident83.6Confident0 Ų042.5 Ų42.50%020%0.203CC..Hα-helixtrans-63.5-44.4-178.7-56.10000112.1I111 A112 K113 G118 W119 I132 L157 M161I111-T115 WeakPolarHBondContact O-CB 3.47Å; I111-T115 PolarHBondContact O-N 3.44Å; I111-T115 PolarHBondContact O-OG1 3.25Å; A112-T115 PolarHBondContact O-N 2.96Å; K113-T115 VanDerWaalsContact C-N 3.26Å; K113-T115 PolarHBondContact O-N 3.34Å; T115-G118 CarbonylContact O-C 3.38Å; T115-G118 PolarHBondContact O-N 2.75Å; T115-W119 HydrophobicContact CG2-CE3 4.08Å; T115-W119 HydrophobicContact CG2-CZ3 4.22Å; T115-W119 WeakPolarHBondContact O-CA 3.38Å; T115-W119 PolarHBondContact O-N 2.95Å; T115-I132 HydrophobicContact CG2-CG2 4Å; T115-I132 WeakPolarHBondContact OG1-CD1 3.46Å; T115-L157 HydrophobicContact CG2-CD1 3.67Å; T115-M161 HydrophobicContact CG2-CE 3.92Å
116K86.9Confident82.8Confident17 Ų1745.4 Ų45.47%0.07422%0.216CC..Hα-helixtrans-60.3-46.6174.5175.6178.9177.71770111.8A112 K113 G118 W119 E160 M161 L163 I176A112-K116 WeakPolarHBondContact O-CB 3.49Å; A112-K116 PolarHBondContact O-N 3.16Å; K113-K116 PolarHBondContact O-N 2.98Å; K116-G118 VanDerWaalsContact C-N 3.34Å; K116-G118 PolarHBondContact O-N 2.89Å; K116-W119 WeakPolarHBondContact O-CB 3.45Å; K116-W119 PolarHBondContact O-N 3.5Å; K116-E160 HydrophobicContact CB-CG 4.39Å; K116-E160 HydrophobicContact CD-CG 3.85Å; K116-E160 VanDerWaalsContact CD-O 3.29Å; K116-E160 WeakPolarHBondContact CD-O 3.41Å; K116-E160 WeakPolarHBondContact CD-OE1 3.31Å; K116-E160 WeakPolarHBondContact CE-O 3.49Å; K116-E160 PolarHBondContact NZ-O 3.39Å; K116-E160 IonicContact NZ-OE1 3.61Å; K116-E160 PolarHBondContact NZ-OE1 3.02Å; K116-M161 HydrophobicContact CB-CE 4.1Å; K116-M161 HydrophobicContact CB-SD 3.95Å; K116-M161 HydrophobicContact CG-SD 4.14Å; K116-L163 PolarHBondContact NZ-O 3.02Å; K116-I176 HydrophobicContact CG-CG2 4.37Å; K116-I176 WeakPolarHBondContact O-CD1 3.16Å
117L82.9Confident82.3Confident34 Ų3448.9 Ų48.918%0.17823%0.229CC..Hα-helixtrans-66-36.8-179.6-68.1-179.2000112.7V71 K113 I114V71-L117 HydrophobicContact CG1-CD1 3.62Å; V71-L117 WeakPolarHBondContact O-CD1 3.48Å; K113-L117 WeakPolarHBondContact O-CB 3.29Å; K113-L117 VanDerWaalsContact O-CG 3.26Å; K113-L117 WeakPolarHBondContact O-CG 3.42Å; K113-L117 PolarHBondContact O-N 3.47Å; I114-L117 PolarHBondContact O-N 3.35Å
118G82.9Confident81.7Confident0 Ų049.6 Ų49.60%023%0.234CC..THydrogen-bonded Turntrans-90.34179.500000115.4I114 T115 K116 F120 E121 F129I114-G118 PolarHBondContact O-N 2.91Å; T115-G118 CarbonylContact O-C 3.38Å; T115-G118 PolarHBondContact O-N 2.75Å; K116-G118 VanDerWaalsContact C-N 3.34Å; K116-G118 PolarHBondContact O-N 2.89Å; G118-F120 PolarHBondContact O-N 3.22Å; G118-E121 WeakPolarHBondContact O-CB 3.26Å; G118-E121 PolarHBondContact O-N 3.29Å; G118-F129 WeakPolarHBondContact O-CD2 3.17Å
119W86.9Confident81.3Confident1 Ų149.7 Ų49.70%0.00423%0.234CC..THydrogen-bonded Turntrans-55.7-29.5-167.4-172.9-105.3000115.9T115 K116 R130 M161 I176 S179 F180T115-W119 HydrophobicContact CG2-CE3 4.08Å; T115-W119 HydrophobicContact CG2-CZ3 4.22Å; T115-W119 WeakPolarHBondContact O-CA 3.38Å; T115-W119 PolarHBondContact O-N 2.95Å; K116-W119 WeakPolarHBondContact O-CB 3.45Å; K116-W119 PolarHBondContact O-N 3.5Å; W119-R130 HydrophobicContact CD2-CG 4.26Å; W119-R130 HydrophobicContact CE3-CG 4.05Å; W119-R130 HydrophobicContact CH2-CB 4.44Å; W119-R130 HydrophobicContact CH2-CG 3.85Å; W119-R130 HydrophobicContact CZ2-CG 4.07Å; W119-R130 HydrophobicContact CZ3-CB 4.45Å; W119-R130 HydrophobicContact CZ3-CG 3.86Å; W119-R130 PolarHBondContact O-NE 3.19Å; W119-M161 HydrophobicContact CD2-CE 3.98Å; W119-M161 HydrophobicContact CE3-CE 3.4Å; W119-M161 VanDerWaalsContact CE3-CE 3.4Å; W119-M161 HydrophobicContact CZ3-CE 3.86Å; W119-I176 HydrophobicContact CB-CG1 4.21Å; W119-I176 HydrophobicContact CB-CG2 3.87Å; W119-I176 HydrophobicContact CG-CG2 3.82Å; W119-S179 PolarHBondContact NE1-OG 3.2Å; W119-S179 VanDerWaalsContact NE1-OG 3.07Å; W119-F180 HydrophobicContact CH2-CB 4.48Å; W119-F180 AromaticContact CH2-CD2 3.56Å; W119-F180 HydrophobicContact CH2-CD2 3.56Å; W119-F180 HydrophobicContact CH2-CE2 4.34Å; W119-F180 HydrophobicContact CZ2-CB 3.99Å; W119-F180 AromaticContact CZ2-CD2 3.93Å; W119-F180 HydrophobicContact CZ2-CD2 3.93Å; W119-F180 HydrophobicContact CZ2-CG 4.48Å; W119-F180 HydrophobicContact CZ3-CD2 4.06Å
120F80.8Confident81Confident69 Ų6948.8 Ų48.830%0.30323%0.227SC..THydrogen-bonded Turntrans-109.26.1177.9-71-67.2000113.7G118 K175 I176G118-F120 PolarHBondContact O-N 3.22Å; F120-K175 HydrophobicContact CE2-CB 4.18Å; F120-K175 HydrophobicContact CE2-CD 3.95Å; F120-K175 HydrophobicContact CE2-CG 3.73Å; F120-K175 HydrophobicContact CZ-CD 4.06Å; F120-K175 HydrophobicContact CZ-CG 3.69Å; F120-I176 HydrophobicContact CD2-CG1 3.83Å; F120-I176 HydrophobicContact CE2-CB 4.3Å; F120-I176 HydrophobicContact CE2-CG1 3.61Å
121E80.3Confident80.6Confident47 Ų4752.9 Ų52.922%0.2225%0.247CC..  trans-75.9131.9178.8-67.2179.3174.200110.2R82 G118 F129R82-E121 IonicContact CZ-OE1 2.73Å; R82-E121 IonicContact CZ-OE2 2.82Å; R82-E121 VanDerWaalsContact CZ-OE2 3.27Å; R82-E121 VanDerWaalsContact NH1-CD 3.26Å; R82-E121 IonicContact NH1-OE1 2.7Å; R82-E121 PolarHBondContact NH1-OE1 3.34Å; R82-E121 IonicContact NH1-OE2 3.12Å; R82-E121 PolarHBondContact NH1-OE2 2.93Å; R82-E121 VanDerWaalsContact NH2-CD 3.28Å; R82-E121 IonicContact NH2-OE1 3.19Å; R82-E121 PolarHBondContact NH2-OE1 2.79Å; R82-E121 IonicContact NH2-OE2 3.27Å; R82-E121 PolarHBondContact NH2-OE2 2.89Å; R82-E121 VanDerWaalsContact NH2-OE2 3.12Å; G118-E121 WeakPolarHBondContact O-CB 3.26Å; G118-E121 PolarHBondContact O-N 3.29Å; E121-F129 HydrophobicContact CB-CD2 4.18Å; E121-F129 HydrophobicContact CB-CE2 4.13Å; E121-F129 VanDerWaalsContact OE2-CE2 3.25Å; E121-F129 WeakPolarHBondContact OE2-CE2 3.44Å
122V75.8Confident80.2Confident85 Ų8552.9 Ų52.952%0.51525%0.247SC..  trans-114.9127.8-177.1-179.10000108.5Q126 F127V122-Q126 WeakPolarHBondContact CA-O 3.48Å; V122-F127 HydrophobicContact CG2-CD1 3.78Å; V122-F127 HydrophobicContact CG2-CE1 3.51Å; V122-F127 HydrophobicContact CG2-CZ 4.16Å
123Q70.6Confident79.8Confident56 Ų5654 Ų5426%0.26225%0.252SS..BIsolated β-bridgetrans-132.2128.9170.8-161.9173.4300107.5M83 E125 Q126 V128M83-Q123 PolarHBondContact SD-OE1 2.98Å; Q123-E125 VanDerWaalsContact C-N 3.29Å; Q123-E125 PolarHBondContact O-N 3.09Å; Q123-Q126 PolarHBondContact N-O 3.32Å; Q123-Q126 VanDerWaalsContact N-O 3.15Å; Q123-Q126 PolarHBondContact O-N 3.4Å; Q123-V128 HydrophobicContact CB-CG2 3.81Å
124K70.4Confident79.6Confident196 Ų19654.2 Ų54.285%0.85226%0.264SS*.THydrogen-bonded Turntrans51.145-174.5-56.4178.1-179.2176.20113.2Q126K124-Q126 PolarHBondContact O-N 2.96Å; K124-Q126 VanDerWaalsContact O-N 3.14Å
125E62.9Low79.4Confident187 Ų18756.1 Ų56.187%0.87427%0.274SS*.THydrogen-bonded Turntrans64.78.5178.5-54.3-174.1163.500116.4Q123Q123-E125 VanDerWaalsContact C-N 3.29Å; Q123-E125 PolarHBondContact O-N 3.09Å
126Q70.3Confident79.4Confident117 Ų11756.2 Ų56.255%0.54728%0.275SS..BIsolated β-bridgetrans-117.6147.7177.1-66.9-178.3-14.600112.2V122 Q123 K124 V128V122-Q126 WeakPolarHBondContact CA-O 3.48Å; Q123-Q126 PolarHBondContact N-O 3.32Å; Q123-Q126 VanDerWaalsContact N-O 3.15Å; Q123-Q126 PolarHBondContact O-N 3.4Å; K124-Q126 PolarHBondContact O-N 2.96Å; K124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-V128 PolarHBondContact O-N 3.3Å; Q126-V128 VanDerWaalsContact O-N 3.12Å
127F77.3Confident79.2Confident85 Ų8560.3 Ų60.337%0.37329%0.293SS..  trans-81.682.5173.3-67.6-73.8000110.3V122 F129 R130V122-F127 HydrophobicContact CG2-CD1 3.78Å; V122-F127 HydrophobicContact CG2-CE1 3.51Å; V122-F127 HydrophobicContact CG2-CZ 4.16Å; F127-F129 PolarHBondContact O-N 3.32Å; F127-F129 VanDerWaalsContact O-N 3.1Å; F127-R130 HydrophobicContact CB-CB 4.16Å; F127-R130 HydrophobicContact CB-CG 3.75Å; F127-R130 WeakPolarHBondContact O-CB 3.46Å; F127-R130 PolarHBondContact O-N 3.36Å
128V77.6Confident79.4Confident16 Ų1665 Ų6510%0.09731%0.311CS..THydrogen-bonded Turntrans-61.4-26.4-168.4-167.60000113.9M83 R86 Q123 Q126M83-V128 HydrophobicContact CE-CB 4.48Å; M83-V128 HydrophobicContact CE-CG1 3.37Å; M83-V128 HydrophobicContact CG-CG1 4.42Å; M83-V128 HydrophobicContact SD-CB 4.12Å; M83-V128 HydrophobicContact SD-CG1 3.58Å; M83-V128 VanDerWaalsContact SD-CG1 3.58Å; R86-V128 PolarHBondContact NH1-O 2.91Å; Q123-V128 HydrophobicContact CB-CG2 3.81Å; Q126-V128 PolarHBondContact O-N 3.3Å; Q126-V128 VanDerWaalsContact O-N 3.12Å
129F82.1Confident79.5Confident1 Ų166.1 Ų66.10%0.00432%0.316CS..THydrogen-bonded Turntrans-78.9-17.8176.5-65.8-80.5000114.1V79 R82 M83 I114 G118 E121 F127 I132V79-F129 HydrophobicContact CG1-CE2 3.95Å; V79-F129 HydrophobicContact CG1-CZ 4.28Å; R82-F129 HydrophobicContact CB-CE1 4.47Å; R82-F129 HydrophobicContact CB-CZ 4.17Å; M83-F129 HydrophobicContact CG-CE1 4.05Å; M83-F129 HydrophobicContact CG-CE2 4.39Å; M83-F129 HydrophobicContact CG-CZ 3.72Å; I114-F129 HydrophobicContact CG2-CD1 3.99Å; I114-F129 HydrophobicContact CG2-CE1 3.51Å; I114-F129 HydrophobicContact CG2-CZ 4.44Å; G118-F129 WeakPolarHBondContact O-CD2 3.17Å; E121-F129 HydrophobicContact CB-CD2 4.18Å; E121-F129 HydrophobicContact CB-CE2 4.13Å; E121-F129 VanDerWaalsContact OE2-CE2 3.25Å; E121-F129 WeakPolarHBondContact OE2-CE2 3.44Å; F127-F129 PolarHBondContact O-N 3.32Å; F127-F129 VanDerWaalsContact O-N 3.1Å; F129-I132 WeakPolarHBondContact O-CG2 3.25Å
130R82.4Confident79.3Confident53 Ų5367.3 Ų67.320%0.232%0.322CS..THydrogen-bonded Turntrans-79.4-19.3177.7-61.3-175.6-172.7-164.3-7.4113.2W119 F127 I132 S179W119-R130 HydrophobicContact CD2-CG 4.26Å; W119-R130 HydrophobicContact CE3-CG 4.05Å; W119-R130 HydrophobicContact CH2-CB 4.44Å; W119-R130 HydrophobicContact CH2-CG 3.85Å; W119-R130 HydrophobicContact CZ2-CG 4.07Å; W119-R130 HydrophobicContact CZ3-CB 4.45Å; W119-R130 HydrophobicContact CZ3-CG 3.86Å; W119-R130 PolarHBondContact O-NE 3.19Å; F127-R130 HydrophobicContact CB-CB 4.16Å; F127-R130 HydrophobicContact CB-CG 3.75Å; F127-R130 WeakPolarHBondContact O-CB 3.46Å; F127-R130 PolarHBondContact O-N 3.36Å; R130-I132 PolarHBondContact O-N 3.1Å; R130-I132 VanDerWaalsContact O-N 3.1Å; R130-S179 PolarHBondContact NH2-OG 3.36Å; R130-S179 VanDerWaalsContact NH2-OG 3.14Å
131E80.8Confident79.4Confident87 Ų8772 Ų7241%0.40735%0.345SS..THydrogen-bonded Turntrans-63.2-14.9178.3-63.9-169.8147.700113.8I133 A134 D135E131-I133 PolarHBondContact O-N 3.4Å; E131-A134 WeakPolarHBondContact O-CA 3.47Å; E131-A134 WeakPolarHBondContact O-CB 3.48Å; E131-A134 PolarHBondContact O-N 3.46Å; E131-D135 PolarHBondContact O-N 3.23Å
132I82.1Confident79.4Confident1 Ų171.9 Ų71.91%0.00536%0.357CS..Hα-helixtrans-52-32.4179.2-168162.7000113.1I111 T115 F129 R130 A134 D135 V136 I153 L157I111-I132 HydrophobicContact CG2-CD1 3.32Å; T115-I132 HydrophobicContact CG2-CG2 4Å; T115-I132 WeakPolarHBondContact OG1-CD1 3.46Å; F129-I132 WeakPolarHBondContact O-CG2 3.25Å; R130-I132 PolarHBondContact O-N 3.1Å; R130-I132 VanDerWaalsContact O-N 3.1Å; I132-A134 VanDerWaalsContact C-N 3.32Å; I132-A134 PolarHBondContact O-N 2.83Å; I132-D135 PolarHBondContact O-N 3.02Å; I132-V136 HydrophobicContact CG1-CG2 4.21Å; I132-V136 VanDerWaalsContact O-CG2 3.23Å; I132-V136 WeakPolarHBondContact O-CG2 3.48Å; I132-V136 PolarHBondContact O-N 3.01Å; I132-I153 HydrophobicContact CD1-CG2 4.44Å; I132-L157 HydrophobicContact CG2-CD2 4.11Å
133I80.4Confident79.7Confident27 Ų2771.6 Ų71.614%0.13836%0.355CS..Hα-helixtrans-66.4-37.5178.5-59.3172.7000110.9E131 K137 S184E131-I133 PolarHBondContact O-N 3.4Å; I133-K137 WeakPolarHBondContact O-CG 3.16Å; I133-K137 PolarHBondContact O-N 3Å; I133-K137 VanDerWaalsContact O-N 3.16Å; I133-S184 WeakPolarHBondContact CD1-OG 3.37Å
134A83.4Confident80.2Confident59 Ų5972.2 Ų72.249%0.48836%0.363SS..Hα-helixtrans-70-36.5176.500000111.5E131 I132 K137E131-A134 WeakPolarHBondContact O-CA 3.47Å; E131-A134 WeakPolarHBondContact O-CB 3.48Å; E131-A134 PolarHBondContact O-N 3.46Å; I132-A134 VanDerWaalsContact C-N 3.32Å; I132-A134 PolarHBondContact O-N 2.83Å; A134-K137 PolarHBondContact O-N 2.89Å
135D83.9Confident80.7Confident40 Ų4066.5 Ų66.521%0.21434%0.339CS..Hα-helixtrans-68.7-42.1175.5-72.3-34000112.1E131 I132 K137 K138 F139E131-D135 PolarHBondContact O-N 3.23Å; I132-D135 PolarHBondContact O-N 3.02Å; D135-K137 VanDerWaalsContact C-N 3.28Å; D135-K137 PolarHBondContact O-N 2.8Å; D135-K138 VanDerWaalsContact O-CB 3.31Å; D135-K138 WeakPolarHBondContact O-CB 3.37Å; D135-K138 PolarHBondContact O-N 3.47Å; D135-K138 IonicContact OD1-NZ 3.77Å; D135-K138 PolarHBondContact OD1-NZ 3.15Å; D135-F139 WeakPolarHBondContact O-CD2 3.45Å
136V86.1Confident81.8Confident2 Ų259.9 Ų59.91%0.01231%0.308CS..Hα-helixtrans-63.8-32.7177176.10000112I132 K138 F139 L140 G150 I153 L154I132-V136 HydrophobicContact CG1-CG2 4.21Å; I132-V136 VanDerWaalsContact O-CG2 3.23Å; I132-V136 WeakPolarHBondContact O-CG2 3.48Å; I132-V136 PolarHBondContact O-N 3.01Å; V136-K138 PolarHBondContact O-N 3.1Å; V136-K138 VanDerWaalsContact O-N 3.16Å; V136-F139 WeakPolarHBondContact O-CB 3.28Å; V136-F139 PolarHBondContact O-N 3Å; V136-L140 PolarHBondContact O-N 2.98Å; V136-G150 WeakPolarHBondContact CG1-O 3.28Å; V136-I153 HydrophobicContact CG2-CB 4.09Å; V136-I153 HydrophobicContact CG2-CD1 4.29Å; V136-I153 HydrophobicContact CG2-CG2 3.53Å; V136-L154 HydrophobicContact CB-CD2 4.3Å; V136-L154 HydrophobicContact CG1-CD1 4.09Å; V136-L154 HydrophobicContact CG1-CD2 3.91Å; V136-L154 HydrophobicContact CG1-CG 3.76Å
137K84.5Confident82.5Confident104 Ų10454.8 Ų54.845%0.45229%0.285SS..Hα-helixtrans-57-30.4173.3-77.6176-179.4-179.50113I133 A134 D135 L140 Q141I133-K137 WeakPolarHBondContact O-CG 3.16Å; I133-K137 PolarHBondContact O-N 3Å; I133-K137 VanDerWaalsContact O-N 3.16Å; A134-K137 PolarHBondContact O-N 2.89Å; D135-K137 VanDerWaalsContact C-N 3.28Å; D135-K137 PolarHBondContact O-N 2.8Å; K137-L140 PolarHBondContact O-N 3.27Å; K137-Q141 PolarHBondContact O-N 3.37Å
138K86.6Confident82.9Confident132 Ų13251.3 Ų51.357%0.57427%0.271SS*.Hα-helixtrans-69.1-37.4175.6-58.2169.2-173.5156.60111.7D135 V136 L140 Q141D135-K138 VanDerWaalsContact O-CB 3.31Å; D135-K138 WeakPolarHBondContact O-CB 3.37Å; D135-K138 PolarHBondContact O-N 3.47Å; D135-K138 IonicContact OD1-NZ 3.77Å; D135-K138 PolarHBondContact OD1-NZ 3.15Å; V136-K138 PolarHBondContact O-N 3.1Å; V136-K138 VanDerWaalsContact O-N 3.16Å; K138-L140 VanDerWaalsContact C-N 3.31Å; K138-L140 PolarHBondContact O-N 3.12Å; K138-Q141 PolarHBondContact O-N 2.94Å
139F84.1Confident83.3Confident24 Ų2450.8 Ų50.811%0.10527%0.268CS..Hα-helixtrans-63.5-37.9175.2-76-98.1000112L90 A94 D135 V136 Q141 G142 H146 C147 I149L90-F139 HydrophobicContact CD2-CE2 4.43Å; A94-F139 HydrophobicContact CB-CE1 3.6Å; A94-F139 HydrophobicContact CB-CZ 3.7Å; D135-F139 WeakPolarHBondContact O-CD2 3.45Å; V136-F139 WeakPolarHBondContact O-CB 3.28Å; V136-F139 PolarHBondContact O-N 3Å; F139-Q141 VanDerWaalsContact C-N 3.26Å; F139-Q141 PolarHBondContact O-N 3.42Å; F139-G142 PolarHBondContact O-N 3.47Å; F139-G142 VanDerWaalsContact O-N 3.11Å; F139-H146 CarbonylContact O-C 3.55Å; F139-C147 PolarHBondContact O-N 2.99Å; F139-I149 HydrophobicContact CD1-CG2 4.12Å; F139-I149 HydrophobicContact CE1-CG2 4.16Å
140L82.6Confident83.7Confident25 Ų2550.7 Ų50.713%0.13127%0.267CS..Hα-helixtrans-67.5-25.4179.5-61175.7000113.3V136 K137 K138 G142 V151 L191 L195V136-L140 PolarHBondContact O-N 2.98Å; K137-L140 PolarHBondContact O-N 3.27Å; K138-L140 VanDerWaalsContact C-N 3.31Å; K138-L140 PolarHBondContact O-N 3.12Å; L140-G142 VanDerWaalsContact C-N 3.31Å; L140-V151 HydrophobicContact CD2-CG2 3.9Å; L140-L191 HydrophobicContact CD1-CD1 4.1Å; L140-L191 HydrophobicContact CD1-CD2 3.4Å; L140-L191 VanDerWaalsContact CD1-CD2 3.4Å; L140-L191 HydrophobicContact CD1-CG 3.93Å; L140-L195 HydrophobicContact CD2-CD1 4.13Å
141Q82.8Confident84Confident168 Ų16848.2 Ų48.279%0.78526%0.258SS*.THydrogen-bonded Turntrans-84-5.3175.2-66.1175.4-3.400113.2K137 K138 F139K137-Q141 PolarHBondContact O-N 3.37Å; K138-Q141 PolarHBondContact O-N 2.94Å; F139-Q141 VanDerWaalsContact C-N 3.26Å; F139-Q141 PolarHBondContact O-N 3.42Å
142G80.7Confident84.3Confident45 Ų4544.9 Ų44.946%0.46424%0.243SC..SBendtrans-82.5-154.3-178.200000114.1F139 L140F139-G142 PolarHBondContact O-N 3.47Å; F139-G142 VanDerWaalsContact O-N 3.11Å; L140-G142 VanDerWaalsContact C-N 3.31Å
143T82.3Confident84.7Confident78 Ų7845 Ų4548%0.47924%0.243SC..  trans-70.4167.7173.7710000111.3E145 H146 C147T143-E145 PolarHBondContact O-N 3.06Å; T143-H146 PolarHBondContact O-N 3.4Å; T143-H146 PolarHBondContact OG1-ND1 3.3Å; T143-C147 PolarHBondContact O-N 2.96Å
144V80.3Confident85.2Confident69 Ų6943.9 Ų43.942%0.41824%0.238SC..Hα-helixtrans-53.7-39.9177179.60000111.7C147 V148 C210 L214V144-C147 WeakPolarHBondContact O-CB 3.41Å; V144-C147 PolarHBondContact O-N 3.29Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.31Å; V144-V148 PolarHBondContact O-N 3.27Å; V144-C210 HydrophobicContact CG1-CB 4.33Å; V144-L214 HydrophobicContact CG1-CD2 4.35Å
145E81.8Confident85.6Confident77 Ų7741.2 Ų41.236%0.3622%0.216SC..Hα-helixtrans-64.1-42.1176.8-62.7176.416800112.3P97 T143 C147 V148 I149P97-E145 HydrophobicContact CB-CB 4.09Å; T143-E145 PolarHBondContact O-N 3.06Å; E145-C147 VanDerWaalsContact C-N 3.34Å; E145-V148 PolarHBondContact O-N 3.49Å; E145-I149 WeakPolarHBondContact O-CG1 3.44Å; E145-I149 PolarHBondContact O-N 3.34Å; E145-I149 VanDerWaalsContact O-N 3.09Å
146H85.1Confident85.9Confident47 Ų4740.1 Ų40.122%0.21821%0.209CC..Hα-helixtrans-67.1-37174.9-67.887.4000111.6A94 F139 T143 I149 G150A94-H146 PolarHBondContact O-NE2 2.85Å; A94-H146 VanDerWaalsContact O-NE2 3.12Å; F139-H146 CarbonylContact O-C 3.55Å; T143-H146 PolarHBondContact O-N 3.4Å; T143-H146 PolarHBondContact OG1-ND1 3.3Å; H146-I149 PolarHBondContact O-N 2.87Å; H146-G150 PolarHBondContact O-N 2.95Å
147C85.4Confident86.1Confident10 Ų1040.1 Ų40.17%0.06821%0.209CC..Hα-helixtrans-63.8-44.5175.8-172.20000111.1F139 T143 V144 E145 I149 G150 V151 L214F139-C147 PolarHBondContact O-N 2.99Å; T143-C147 PolarHBondContact O-N 2.96Å; V144-C147 WeakPolarHBondContact O-CB 3.41Å; V144-C147 PolarHBondContact O-N 3.29Å; E145-C147 VanDerWaalsContact C-N 3.34Å; C147-I149 VanDerWaalsContact C-N 3.34Å; C147-I149 PolarHBondContact O-N 3.03Å; C147-G150 PolarHBondContact O-N 3.45Å; C147-V151 VanDerWaalsContact O-CG2 3.31Å; C147-V151 WeakPolarHBondContact O-CG2 3.37Å; C147-V151 PolarHBondContact O-N 3.28Å; C147-L214 HydrophobicContact CB-CD1 4.35Å
148V86.2Confident86.4Confident13 Ų1335.2 Ų35.28%0.07919%0.188CC..Hα-helixtrans-56-48.5173.5169.90000111V144 E145 G150 V151 I152 L214 Q217V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.31Å; V144-V148 PolarHBondContact O-N 3.27Å; E145-V148 PolarHBondContact O-N 3.49Å; V148-G150 VanDerWaalsContact C-N 3.35Å; V148-G150 PolarHBondContact O-N 2.91Å; V148-V151 PolarHBondContact O-N 3.4Å; V148-I152 HydrophobicContact CG1-CD1 3.79Å; V148-I152 HydrophobicContact CG1-CG1 4.45Å; V148-I152 VanDerWaalsContact O-CG1 3.28Å; V148-I152 WeakPolarHBondContact O-CG1 3.2Å; V148-I152 PolarHBondContact O-N 3.39Å; V148-L214 HydrophobicContact CG2-CB 3.86Å; V148-L214 HydrophobicContact CG2-CD1 3.86Å; V148-L214 HydrophobicContact CG2-CG 4.46Å; V148-Q217 HydrophobicContact CG1-CG 4.29Å
149I86.7Confident86.5Confident4 Ų433 Ų332%0.02118%0.18CC..Hα-helixtrans-59.6-45.9177-70.5164.9000110.9V93 P97 I104 F139 E145 H146 C147 V151 I152 I153V93-I149 HydrophobicContact CG1-CD1 3.99Å; V93-I149 HydrophobicContact CG1-CG1 4.31Å; V93-I149 HydrophobicContact CG1-CG2 3.53Å; P97-I149 HydrophobicContact CB-CD1 3.92Å; I104-I149 HydrophobicContact CG2-CG1 4.48Å; F139-I149 HydrophobicContact CD1-CG2 4.12Å; F139-I149 HydrophobicContact CE1-CG2 4.16Å; E145-I149 WeakPolarHBondContact O-CG1 3.44Å; E145-I149 PolarHBondContact O-N 3.34Å; E145-I149 VanDerWaalsContact O-N 3.09Å; H146-I149 PolarHBondContact O-N 2.87Å; C147-I149 VanDerWaalsContact C-N 3.34Å; C147-I149 PolarHBondContact O-N 3.03Å; I149-V151 VanDerWaalsContact C-N 3.31Å; I149-V151 PolarHBondContact O-N 2.69Å; I149-I152 PolarHBondContact O-N 3.26Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 WeakPolarHBondContact O-CG1 3.48Å; I149-I153 PolarHBondContact O-N 2.99Å
150G88.8Confident86.7Confident0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans-57.9-42.8177.300000112.6V136 H146 C147 V148 I153 L154V136-G150 WeakPolarHBondContact CG1-O 3.28Å; H146-G150 PolarHBondContact O-N 2.95Å; C147-G150 PolarHBondContact O-N 3.45Å; V148-G150 VanDerWaalsContact C-N 3.35Å; V148-G150 PolarHBondContact O-N 2.91Å; G150-I153 PolarHBondContact O-N 2.92Å; G150-L154 WeakPolarHBondContact O-CG 3.34Å; G150-L154 PolarHBondContact O-N 3.43Å; G150-L154 VanDerWaalsContact O-N 3.13Å
151V88.7Confident86.8Confident0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-66.4-41.4176.4175.50000111.6L140 C147 V148 I149 I153 L154 S155 L195 L214 Q217 V218 L221L140-V151 HydrophobicContact CD2-CG2 3.9Å; C147-V151 VanDerWaalsContact O-CG2 3.31Å; C147-V151 WeakPolarHBondContact O-CG2 3.37Å; C147-V151 PolarHBondContact O-N 3.28Å; V148-V151 PolarHBondContact O-N 3.4Å; I149-V151 VanDerWaalsContact C-N 3.31Å; I149-V151 PolarHBondContact O-N 2.69Å; V151-I153 VanDerWaalsContact C-N 3.31Å; V151-I153 PolarHBondContact O-N 3.13Å; V151-L154 PolarHBondContact O-N 3.2Å; V151-S155 WeakPolarHBondContact O-CB 3.31Å; V151-S155 PolarHBondContact O-N 2.94Å; V151-L195 HydrophobicContact CG2-CD1 4.13Å; V151-L214 HydrophobicContact CG2-CD1 4.34Å; V151-Q217 HydrophobicContact CB-CB 4.4Å; V151-Q217 VanDerWaalsContact CG1-C 3.42Å; V151-Q217 HydrophobicContact CG1-CB 3.73Å; V151-Q217 WeakPolarHBondContact CG1-O 3.38Å; V151-V218 HydrophobicContact CB-CG2 4.45Å; V151-V218 HydrophobicContact CG1-CB 4.42Å; V151-V218 HydrophobicContact CG1-CG2 3.89Å; V151-V218 HydrophobicContact CG2-CG2 3.77Å; V151-L221 HydrophobicContact CG1-CB 4.12Å; V151-L221 HydrophobicContact CG1-CD2 4.05Å
152I88.3Confident86.8Confident17 Ų1726.2 Ų26.29%0.08715%0.149CC..Hα-helixtrans-61.6-41.3175.3-64.2165000110.3I108 V148 I149 L154 S155 E156 Q217I108-I152 HydrophobicContact CD1-CB 3.92Å; I108-I152 HydrophobicContact CD1-CG2 3.48Å; I108-I152 VanDerWaalsContact CD1-CG2 3.48Å; I108-I152 HydrophobicContact CG2-CG2 4.38Å; V148-I152 HydrophobicContact CG1-CD1 3.79Å; V148-I152 HydrophobicContact CG1-CG1 4.45Å; V148-I152 VanDerWaalsContact O-CG1 3.28Å; V148-I152 WeakPolarHBondContact O-CG1 3.2Å; V148-I152 PolarHBondContact O-N 3.39Å; I149-I152 PolarHBondContact O-N 3.26Å; I152-L154 PolarHBondContact O-N 2.93Å; I152-S155 PolarHBondContact O-N 3.46Å; I152-E156 HydrophobicContact CG2-CG 4.19Å; I152-E156 WeakPolarHBondContact O-CG 3.33Å; I152-E156 PolarHBondContact O-N 3.17Å; I152-Q217 HydrophobicContact CD1-CG 4.38Å; I152-Q217 HydrophobicContact CG1-CB 4.48Å; I152-Q217 HydrophobicContact CG1-CG 3.97Å
153I90.3Very high86.9Confident3 Ų328.1 Ų28.12%0.01515%0.148CC..Hα-helixtrans-58.5-47.7175.6-65.1164.8000111L90 I108 I132 V136 I149 G150 V151 S155 L157L90-I153 HydrophobicContact CD2-CD1 3.98Å; I108-I153 HydrophobicContact CD1-CG1 3.78Å; I108-I153 HydrophobicContact CG1-CG1 3.83Å; I108-I153 HydrophobicContact CG2-CB 4.31Å; I108-I153 HydrophobicContact CG2-CG1 3.99Å; I132-I153 HydrophobicContact CD1-CG2 4.44Å; V136-I153 HydrophobicContact CG2-CB 4.09Å; V136-I153 HydrophobicContact CG2-CD1 4.29Å; V136-I153 HydrophobicContact CG2-CG2 3.53Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 WeakPolarHBondContact O-CG1 3.48Å; I149-I153 PolarHBondContact O-N 2.99Å; G150-I153 PolarHBondContact O-N 2.92Å; V151-I153 VanDerWaalsContact C-N 3.31Å; V151-I153 PolarHBondContact O-N 3.13Å; I153-S155 VanDerWaalsContact C-N 3.32Å; I153-S155 PolarHBondContact O-N 3.42Å; I153-L157 WeakPolarHBondContact O-CB 3.48Å; I153-L157 PolarHBondContact O-N 3.23Å
154L91.4Very high86.2Confident4 Ų426.8 Ų26.82%0.02114%0.14CC..Hα-helixtrans-64.9-37.3178.1-64.2175.8000112.3V136 G150 V151 I152 T158 I188 L191 L221V136-L154 HydrophobicContact CB-CD2 4.3Å; V136-L154 HydrophobicContact CG1-CD1 4.09Å; V136-L154 HydrophobicContact CG1-CD2 3.91Å; V136-L154 HydrophobicContact CG1-CG 3.76Å; G150-L154 WeakPolarHBondContact O-CG 3.34Å; G150-L154 PolarHBondContact O-N 3.43Å; G150-L154 VanDerWaalsContact O-N 3.13Å; V151-L154 PolarHBondContact O-N 3.2Å; I152-L154 PolarHBondContact O-N 2.93Å; L154-T158 WeakPolarHBondContact O-CB 3.15Å; L154-T158 PolarHBondContact O-N 3.45Å; L154-T158 PolarHBondContact O-OG1 3.13Å; L154-I188 HydrophobicContact CB-CG2 4.22Å; L154-I188 HydrophobicContact CD1-CG2 4.35Å; L154-I188 HydrophobicContact CD2-CD1 4.22Å; L154-I188 HydrophobicContact CD2-CG1 4.21Å; L154-L191 HydrophobicContact CD1-CD2 4.14Å; L154-L221 HydrophobicContact CB-CD1 3.74Å; L154-L221 HydrophobicContact CB-CD2 3.87Å; L154-L221 HydrophobicContact CB-CG 4.49Å; L154-L221 HydrophobicContact CD1-CD2 4.07Å
155S90.9Very high85.5Confident4 Ų426.6 Ų26.63%0.02814%0.136CC..Hα-helixtrans-66-52.1-179.9-179.20000111.1V151 I152 I153 L157 T158 Q159 N224V151-S155 WeakPolarHBondContact O-CB 3.31Å; V151-S155 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-N 3.46Å; I153-S155 VanDerWaalsContact C-N 3.32Å; I153-S155 PolarHBondContact O-N 3.42Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.47Å; S155-T158 PolarHBondContact O-N 2.93Å; S155-Q159 PolarHBondContact O-N 3.35Å; S155-N224 PolarHBondContact OG-ND2 2.9Å
156E89.9Confident84.3Confident17 Ų1731.1 Ų31.18%0.07915%0.151CC..Hα-helixtrans-65.1-37.5177.7-69.7-56117.600112Q105 I108 Q109 A112 I152 T158 Q159 E160Q105-E156 PolarHBondContact NE2-OE1 3.45Å; Q105-E156 PolarHBondContact NE2-OE2 3.24Å; Q105-E156 VanDerWaalsContact NE2-OE2 3.13Å; I108-E156 HydrophobicContact CG2-CB 3.66Å; I108-E156 HydrophobicContact CG2-CG 3.73Å; Q109-E156 WeakPolarHBondContact CG-OE2 3.49Å; Q109-E156 PolarHBondContact NE2-OE2 3.07Å; Q109-E156 VanDerWaalsContact NE2-OE2 3.13Å; A112-E156 HydrophobicContact CB-CB 4.41Å; I152-E156 HydrophobicContact CG2-CG 4.19Å; I152-E156 WeakPolarHBondContact O-CG 3.33Å; I152-E156 PolarHBondContact O-N 3.17Å; E156-T158 VanDerWaalsContact C-N 3.32Å; E156-T158 PolarHBondContact O-N 3.22Å; E156-Q159 PolarHBondContact O-N 3.16Å; E156-E160 VanDerWaalsContact O-CB 3.22Å; E156-E160 WeakPolarHBondContact O-CB 3.38Å; E156-E160 PolarHBondContact O-N 2.87Å
157L90.8Very high82.7Confident2 Ų233.5 Ų33.51%0.0117%0.173CC..Hα-helixtrans-60.1-44.9174.4-178.565.4000110.9T115 I132 I153 S155 M161 F180T115-L157 HydrophobicContact CG2-CD1 3.67Å; I132-L157 HydrophobicContact CG2-CD2 4.11Å; I153-L157 WeakPolarHBondContact O-CB 3.48Å; I153-L157 PolarHBondContact O-N 3.23Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.47Å; L157-M161 HydrophobicContact CD1-CE 3.72Å; L157-M161 HydrophobicContact CD1-CG 4.29Å; L157-M161 WeakPolarHBondContact O-CB 3.23Å; L157-M161 WeakPolarHBondContact O-CG 3.4Å; L157-M161 PolarHBondContact O-N 3.45Å; L157-F180 HydrophobicContact CD2-CE2 4.03Å; L157-F180 HydrophobicContact CD2-CZ 4.4Å; L157-F180 HydrophobicContact CG-CE2 4.18Å; L157-F180 HydrophobicContact CG-CZ 4.29Å
158T90.4Very high81.4Confident1 Ų137 Ų371%0.00619%0.185CC..Hα-helixtrans-65.1-43.1179.8-56.90000111.1L154 S155 E156 N162 F180 L185 N224 F228L154-T158 WeakPolarHBondContact O-CB 3.15Å; L154-T158 PolarHBondContact O-N 3.45Å; L154-T158 PolarHBondContact O-OG1 3.13Å; S155-T158 PolarHBondContact O-N 2.93Å; E156-T158 VanDerWaalsContact C-N 3.32Å; E156-T158 PolarHBondContact O-N 3.22Å; T158-N162 PolarHBondContact O-N 3.13Å; T158-F180 HydrophobicContact CG2-CE1 4.42Å; T158-L185 HydrophobicContact CG2-CD1 3.69Å; T158-N224 HydrophobicContact CG2-CB 4.2Å; T158-F228 HydrophobicContact CG2-CD2 4.06Å
159Q89.1Confident79.9Confident85 Ų8540.5 Ų40.540%0.39721%0.208SC..Hα-helixtrans-66.1-47.6177.2-173.3172.60.100112.1S155 E156 M161 N162 L163S155-Q159 PolarHBondContact O-N 3.35Å; E156-Q159 PolarHBondContact O-N 3.16Å; Q159-M161 VanDerWaalsContact C-N 3.33Å; Q159-M161 PolarHBondContact O-N 3.48Å; Q159-N162 CarbonylContact O-C 3.24Å; Q159-N162 WeakPolarHBondContact O-CA 3.42Å; Q159-N162 WeakPolarHBondContact O-CB 3.22Å; Q159-N162 PolarHBondContact O-N 3.07Å; Q159-L163 HydrophobicContact CG-CD1 4.27Å; Q159-L163 HydrophobicContact CG-CG 4.44Å; Q159-L163 WeakPolarHBondContact O-CG 3.29Å; Q159-L163 PolarHBondContact O-N 3.46Å
160E87.6Confident78.6Confident29 Ų2941.8 Ų41.814%0.13622%0.218CC..Hα-helixtrans-63.1-38.7178.9-174.656.9-127.500111.6A112 K113 K116 E156 N162 L163A112-E160 HydrophobicContact CB-CB 3.75Å; A112-E160 HydrophobicContact CB-CG 3.99Å; K113-E160 HydrophobicContact CG-CG 4.05Å; K116-E160 HydrophobicContact CB-CG 4.39Å; K116-E160 HydrophobicContact CD-CG 3.85Å; K116-E160 VanDerWaalsContact CD-O 3.29Å; K116-E160 WeakPolarHBondContact CD-O 3.41Å; K116-E160 WeakPolarHBondContact CD-OE1 3.31Å; K116-E160 WeakPolarHBondContact CE-O 3.49Å; K116-E160 PolarHBondContact NZ-O 3.39Å; K116-E160 IonicContact NZ-OE1 3.61Å; K116-E160 PolarHBondContact NZ-OE1 3.02Å; E156-E160 VanDerWaalsContact O-CB 3.22Å; E156-E160 WeakPolarHBondContact O-CB 3.38Å; E156-E160 PolarHBondContact O-N 2.87Å; E160-N162 PolarHBondContact O-N 3.01Å; E160-L163 PolarHBondContact O-N 3.17Å
161M85.8Confident77.2Confident0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-63.8-26.5173.8-70.9-66.3-178.600113.1T115 K116 W119 L157 Q159 H173 I176 F180 F228T115-M161 HydrophobicContact CG2-CE 3.92Å; K116-M161 HydrophobicContact CB-CE 4.1Å; K116-M161 HydrophobicContact CB-SD 3.95Å; K116-M161 HydrophobicContact CG-SD 4.14Å; W119-M161 HydrophobicContact CD2-CE 3.98Å; W119-M161 HydrophobicContact CE3-CE 3.4Å; W119-M161 VanDerWaalsContact CE3-CE 3.4Å; W119-M161 HydrophobicContact CZ3-CE 3.86Å; L157-M161 HydrophobicContact CD1-CE 3.72Å; L157-M161 HydrophobicContact CD1-CG 4.29Å; L157-M161 WeakPolarHBondContact O-CB 3.23Å; L157-M161 WeakPolarHBondContact O-CG 3.4Å; L157-M161 PolarHBondContact O-N 3.45Å; Q159-M161 VanDerWaalsContact C-N 3.33Å; Q159-M161 PolarHBondContact O-N 3.48Å; M161-H173 PolarHBondContact O-CE1 2.98Å; M161-I176 HydrophobicContact CE-CG2 4.45Å; M161-I176 HydrophobicContact SD-CG2 3.45Å; M161-I176 WeakPolarHBondContact SD-CG2 3.32Å; M161-F180 HydrophobicContact CB-CD1 3.81Å; M161-F180 HydrophobicContact CB-CE1 4.1Å; M161-F180 HydrophobicContact CB-CG 4.19Å; M161-F180 HydrophobicContact CE-CD2 4.48Å; M161-F180 HydrophobicContact CG-CB 4.45Å; M161-F180 HydrophobicContact CG-CD1 3.97Å; M161-F180 HydrophobicContact CG-CD2 4.11Å; M161-F180 HydrophobicContact CG-CE1 4.18Å; M161-F180 HydrophobicContact CG-CE2 4.35Å; M161-F180 HydrophobicContact CG-CG 3.91Å; M161-F180 HydrophobicContact CG-CZ 4.38Å; M161-F228 HydrophobicContact CB-CE2 4.16Å
162N83.5Confident76.1Confident45 Ų4548 Ų4824%0.24125%0.247CC..Hα-helixtrans-89.6-19.7177.5-156.839.8000113.5T158 Q159 E160 V164 F228 D229T158-N162 PolarHBondContact O-N 3.13Å; Q159-N162 CarbonylContact O-C 3.24Å; Q159-N162 WeakPolarHBondContact O-CA 3.42Å; Q159-N162 WeakPolarHBondContact O-CB 3.22Å; Q159-N162 PolarHBondContact O-N 3.07Å; E160-N162 PolarHBondContact O-N 3.01Å; N162-V164 PolarHBondContact O-N 2.91Å; N162-F228 HydrophobicContact CB-CD2 3.94Å; N162-F228 HydrophobicContact CB-CE2 3.89Å; N162-D229 WeakPolarHBondContact OD1-CB 3.35Å; N162-D229 PolarHBondContact OD1-N 3.47Å
163L81.7Confident75.4Confident86 Ų8648.3 Ų48.345%0.4525%0.248SC..  trans-71.6117.9-178.5-80.3169.2000112.2K116 Q159 E160 D165 H173K116-L163 PolarHBondContact NZ-O 3.02Å; Q159-L163 HydrophobicContact CG-CD1 4.27Å; Q159-L163 HydrophobicContact CG-CG 4.44Å; Q159-L163 WeakPolarHBondContact O-CG 3.29Å; Q159-L163 PolarHBondContact O-N 3.46Å; E160-L163 PolarHBondContact O-N 3.17Å; L163-D165 PolarHBondContact O-N 2.99Å; L163-H173 VanDerWaalsContact C-CE1 3.47Å; L163-H173 PolarHBondContact O-CE1 2.84Å; L163-H173 PolarHBondContact O-ND1 2.6Å
164V67.9Low74.5Confident50 Ų5050.5 Ų50.530%0.30326%0.256SS..  trans-77.9115.2175.1-172.80000109.8N162 Y166N162-V164 PolarHBondContact O-N 2.91Å; V164-Y166 PolarHBondContact O-N 2.61Å
165D65.3Low73.7Confident65 Ų6554.3 Ų54.335%0.34827%0.272SS..  trans-87.1103.9173.4-175.8-4.1000109.9L163 S167 R168L163-D165 PolarHBondContact O-N 2.99Å; D165-S167 PolarHBondContact O-N 3.44Å; D165-S167 VanDerWaalsContact O-N 3.13Å; D165-S167 WeakPolarHBondContact OD1-CB 3.5Å; D165-S167 PolarHBondContact OD1-N 3.42Å; D165-S167 PolarHBondContact OD1-OG 3.48Å; D165-S167 PolarHBondContact OD2-OG 3.34Å; D165-R168 PolarHBondContact O-N 2.66Å; D165-R168 VanDerWaalsContact O-N 3.14Å; D165-R168 IonicContact OD2-NE 2.88Å
166Y57.3Low73.1Confident172 Ų17254.5 Ų54.568%0.67527%0.273SS*.THydrogen-bonded Turntrans-63.7-13.2179.9-63.8-78.3000113.9V164 R168V164-Y166 PolarHBondContact O-N 2.61Å; Y166-R168 VanDerWaalsContact C-N 3.28Å
167S51.4Low72.8Confident96 Ų9654.1 Ų54.167%0.67127%0.273SS*.THydrogen-bonded Turntrans-79.3-8.617673.80000113.6D165D165-S167 PolarHBondContact O-N 3.44Å; D165-S167 VanDerWaalsContact O-N 3.13Å; D165-S167 WeakPolarHBondContact OD1-CB 3.5Å; D165-S167 PolarHBondContact OD1-N 3.42Å; D165-S167 PolarHBondContact OD1-OG 3.48Å; D165-S167 PolarHBondContact OD2-OG 3.34Å
168R57Low72.3Confident83 Ų8356.9 Ų56.931%0.31329%0.29SS..SBendtrans-129.8158.1-174.8-64.4-178-176.4-141.7-4.3112S72 R73 D165 Y166 S170S72-R168 PolarHBondContact O-NH2 2.94Å; R73-R168 PolarHBondContact O-NH2 3.28Å; D165-R168 PolarHBondContact O-N 2.66Å; D165-R168 VanDerWaalsContact O-N 3.14Å; D165-R168 IonicContact OD2-NE 2.88Å; Y166-R168 VanDerWaalsContact C-N 3.28Å; R168-S170 PolarHBondContact O-N 3.18Å; R168-S170 VanDerWaalsContact O-N 3.15Å
169P56Low71.9Confident88 Ų8857.8 Ų57.857%0.57130%0.296SS*.  trans-58.3120.2179.6-23.633.2000112.2A171 K172P169-A171 PolarHBondContact O-N 3.23Å; P169-A171 VanDerWaalsContact O-N 3.08Å; P169-K172 PolarHBondContact O-N 3.42Å
170S58.4Low71.8Confident31 Ų3153.7 Ų53.722%0.21728%0.277CS..Hα-helixtrans-54.4-28.7-180169.70000113R168 H173 R174R168-S170 PolarHBondContact O-N 3.18Å; R168-S170 VanDerWaalsContact O-N 3.15Å; S170-H173 PolarHBondContact O-N 2.98Å; S170-R174 WeakPolarHBondContact O-CB 3.42Å; S170-R174 WeakPolarHBondContact O-CG 3.42Å; S170-R174 PolarHBondContact O-N 2.97Å; S170-R174 PolarHBondContact OG-NE 3.14Å
171A58.8Low71.7Confident12 Ų1254.7 Ų54.710%0.09928%0.28CS..Hα-helixtrans-54-50.2172.600000114.1P169 H173 R174 K175 F992 E993P169-A171 PolarHBondContact O-N 3.23Å; P169-A171 VanDerWaalsContact O-N 3.08Å; A171-H173 VanDerWaalsContact C-N 3.33Å; A171-H173 PolarHBondContact O-N 3.18Å; A171-R174 PolarHBondContact O-N 3.21Å; A171-K175 PolarHBondContact O-N 3.45Å; A171-F992 HydrophobicContact CB-CB 3.57Å; A171-F992 VanDerWaalsContact CB-O 3.23Å; A171-F992 WeakPolarHBondContact CB-O 3.42Å; A171-E993 HydrophobicContact CB-CG 3.61Å
172K65.6Low71.5Confident119 Ų11959.1 Ų59.152%0.51730%0.303SS..Hα-helixtrans-66.1-41.1-177.3-173.3176.3178.3178.10110.2P169 K175 I176P169-K172 PolarHBondContact O-N 3.42Å; K172-K175 PolarHBondContact O-N 3.18Å; K172-I176 HydrophobicContact CG-CD1 4.13Å; K172-I176 WeakPolarHBondContact O-CD1 3.41Å; K172-I176 VanDerWaalsContact O-CG1 3.26Å; K172-I176 WeakPolarHBondContact O-CG1 3.33Å; K172-I176 PolarHBondContact O-N 3.18Å; K172-I176 VanDerWaalsContact O-N 3.12Å
173H73.6Confident71.5Confident23 Ų2360 Ų6011%0.10631%0.31CS..Hα-helixtrans-61-50.7174.6172.862.2000112M161 L163 S170 A171 K175 I176 A177M161-H173 PolarHBondContact O-CE1 2.98Å; L163-H173 VanDerWaalsContact C-CE1 3.47Å; L163-H173 PolarHBondContact O-CE1 2.84Å; L163-H173 PolarHBondContact O-ND1 2.6Å; S170-H173 PolarHBondContact O-N 2.98Å; A171-H173 VanDerWaalsContact C-N 3.33Å; A171-H173 PolarHBondContact O-N 3.18Å; H173-K175 VanDerWaalsContact C-N 3.31Å; H173-K175 PolarHBondContact O-N 2.71Å; H173-I176 WeakPolarHBondContact O-CB 3.49Å; H173-I176 PolarHBondContact O-N 3.03Å; H173-I176 VanDerWaalsContact O-N 3.07Å; H173-A177 PolarHBondContact O-N 3Å
174R71.4Confident71.7Confident48 Ų4856.4 Ų56.418%0.18129%0.292CS..Hα-helixtrans-58-40.2177.6-80-174.2-78.4-176.4-8.7112.9S170 A171 T178 D994S170-R174 WeakPolarHBondContact O-CB 3.42Å; S170-R174 WeakPolarHBondContact O-CG 3.42Å; S170-R174 PolarHBondContact O-N 2.97Å; S170-R174 PolarHBondContact OG-NE 3.14Å; A171-R174 PolarHBondContact O-N 3.21Å; R174-T178 VanDerWaalsContact O-CB 3.24Å; R174-T178 WeakPolarHBondContact O-CB 3.4Å; R174-T178 PolarHBondContact O-N 3.34Å; R174-T178 PolarHBondContact O-OG1 3.12Å; R174-D994 IonicContact NH1-OD2 2.67Å; R174-D994 PolarHBondContact NH1-OD2 3.31Å
175K74.6Confident72.7Confident84 Ų8454 Ų5437%0.36528%0.278SS..Hα-helixtrans-62.8-42.7175.7-166.9-175.3176.4174.10111.7F120 A171 K172 H173 S179F120-K175 HydrophobicContact CE2-CB 4.18Å; F120-K175 HydrophobicContact CE2-CD 3.95Å; F120-K175 HydrophobicContact CE2-CG 3.73Å; F120-K175 HydrophobicContact CZ-CD 4.06Å; F120-K175 HydrophobicContact CZ-CG 3.69Å; A171-K175 PolarHBondContact O-N 3.45Å; K172-K175 PolarHBondContact O-N 3.18Å; H173-K175 VanDerWaalsContact C-N 3.31Å; H173-K175 PolarHBondContact O-N 2.71Å; K175-S179 WeakPolarHBondContact O-CB 3.43Å; K175-S179 PolarHBondContact O-N 3.16Å
176I79.4Confident73.9Confident8 Ų853.9 Ų53.94%0.04127%0.274CS..Hα-helixtrans-64.1-52.5177.5-67.3161.9000110K116 W119 F120 M161 K172 H173 T178 S179 F180K116-I176 HydrophobicContact CG-CG2 4.37Å; K116-I176 WeakPolarHBondContact O-CD1 3.16Å; W119-I176 HydrophobicContact CB-CG1 4.21Å; W119-I176 HydrophobicContact CB-CG2 3.87Å; W119-I176 HydrophobicContact CG-CG2 3.82Å; F120-I176 HydrophobicContact CD2-CG1 3.83Å; F120-I176 HydrophobicContact CE2-CB 4.3Å; F120-I176 HydrophobicContact CE2-CG1 3.61Å; M161-I176 HydrophobicContact CE-CG2 4.45Å; M161-I176 HydrophobicContact SD-CG2 3.45Å; M161-I176 WeakPolarHBondContact SD-CG2 3.32Å; K172-I176 HydrophobicContact CG-CD1 4.13Å; K172-I176 WeakPolarHBondContact O-CD1 3.41Å; K172-I176 VanDerWaalsContact O-CG1 3.26Å; K172-I176 WeakPolarHBondContact O-CG1 3.33Å; K172-I176 PolarHBondContact O-N 3.18Å; K172-I176 VanDerWaalsContact O-N 3.12Å; H173-I176 WeakPolarHBondContact O-CB 3.49Å; H173-I176 PolarHBondContact O-N 3.03Å; H173-I176 VanDerWaalsContact O-N 3.07Å; I176-T178 VanDerWaalsContact C-N 3.34Å; I176-T178 PolarHBondContact O-N 3.37Å; I176-S179 PolarHBondContact O-N 2.98Å; I176-F180 WeakPolarHBondContact O-CB 3.39Å; I176-F180 PolarHBondContact O-N 3.37Å
177A82.7Confident75.3Confident9 Ų950.2 Ų50.27%0.07427%0.266CS..Hα-helixtrans-58.3-44.1179.900000112.2H173 F180 R181 F228H173-A177 PolarHBondContact O-N 3Å; A177-F180 PolarHBondContact O-N 2.89Å; A177-R181 WeakPolarHBondContact O-CB 3.18Å; A177-R181 PolarHBondContact O-N 3.28Å; A177-F228 HydrophobicContact CB-CE1 4.42Å; A177-F228 HydrophobicContact CB-CZ 4Å
178T81.1Confident77.2Confident60 Ų6045.7 Ų45.737%0.36823%0.234SC..Hα-helixtrans-62.7-45.7176.9-57.40000111.7R174 I176 R181 D182R174-T178 VanDerWaalsContact O-CB 3.24Å; R174-T178 WeakPolarHBondContact O-CB 3.4Å; R174-T178 PolarHBondContact O-N 3.34Å; R174-T178 PolarHBondContact O-OG1 3.12Å; I176-T178 VanDerWaalsContact C-N 3.34Å; I176-T178 PolarHBondContact O-N 3.37Å; T178-R181 WeakPolarHBondContact O-CB 3.19Å; T178-R181 PolarHBondContact O-N 3.09Å; T178-D182 PolarHBondContact O-N 3.2Å; T178-D182 VanDerWaalsContact O-N 3.13Å
179S82.9Confident78.8Confident20 Ų2041.8 Ų41.814%0.1422%0.22CC..Hα-helixtrans-63.6-42.7176.9175.40000111.8W119 R130 K175 I176 D182 T183W119-S179 PolarHBondContact NE1-OG 3.2Å; W119-S179 VanDerWaalsContact NE1-OG 3.07Å; R130-S179 PolarHBondContact NH2-OG 3.36Å; R130-S179 VanDerWaalsContact NH2-OG 3.14Å; K175-S179 WeakPolarHBondContact O-CB 3.43Å; K175-S179 PolarHBondContact O-N 3.16Å; I176-S179 PolarHBondContact O-N 2.98Å; S179-D182 PolarHBondContact O-N 2.88Å; S179-T183 WeakPolarHBondContact O-CB 3.17Å; S179-T183 WeakPolarHBondContact O-CG2 3.46Å; S179-T183 PolarHBondContact O-N 3.29Å; S179-T183 PolarHBondContact O-OG1 3.32Å
180F86.6Confident80.4Confident0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-63.1-42.3178177.9-105.8000112.3W119 L157 T158 M161 I176 A177 D182 S184 L185 I188 F228W119-F180 HydrophobicContact CH2-CB 4.48Å; W119-F180 AromaticContact CH2-CD2 3.56Å; W119-F180 HydrophobicContact CH2-CD2 3.56Å; W119-F180 HydrophobicContact CH2-CE2 4.34Å; W119-F180 HydrophobicContact CZ2-CB 3.99Å; W119-F180 AromaticContact CZ2-CD2 3.93Å; W119-F180 HydrophobicContact CZ2-CD2 3.93Å; W119-F180 HydrophobicContact CZ2-CG 4.48Å; W119-F180 HydrophobicContact CZ3-CD2 4.06Å; L157-F180 HydrophobicContact CD2-CE2 4.03Å; L157-F180 HydrophobicContact CD2-CZ 4.4Å; L157-F180 HydrophobicContact CG-CE2 4.18Å; L157-F180 HydrophobicContact CG-CZ 4.29Å; T158-F180 HydrophobicContact CG2-CE1 4.42Å; M161-F180 HydrophobicContact CB-CD1 3.81Å; M161-F180 HydrophobicContact CB-CE1 4.1Å; M161-F180 HydrophobicContact CB-CG 4.19Å; M161-F180 HydrophobicContact CE-CD2 4.48Å; M161-F180 HydrophobicContact CG-CB 4.45Å; M161-F180 HydrophobicContact CG-CD1 3.97Å; M161-F180 HydrophobicContact CG-CD2 4.11Å; M161-F180 HydrophobicContact CG-CE1 4.18Å; M161-F180 HydrophobicContact CG-CE2 4.35Å; M161-F180 HydrophobicContact CG-CG 3.91Å; M161-F180 HydrophobicContact CG-CZ 4.38Å; I176-F180 WeakPolarHBondContact O-CB 3.39Å; I176-F180 PolarHBondContact O-N 3.37Å; A177-F180 PolarHBondContact O-N 2.89Å; F180-D182 VanDerWaalsContact C-N 3.33Å; F180-D182 PolarHBondContact O-N 3.47Å; F180-S184 PolarHBondContact O-N 3.02Å; F180-L185 HydrophobicContact CD1-CB 4.45Å; F180-L185 HydrophobicContact CE1-CB 4.33Å; F180-L185 HydrophobicContact CE1-CD1 3.82Å; F180-L185 PolarHBondContact O-N 2.93Å; F180-I188 HydrophobicContact CE2-CD1 4.04Å; F180-I188 HydrophobicContact CZ-CD1 3.66Å; F180-F228 AromaticContact CD1-CE2 3.86Å; F180-F228 HydrophobicContact CD1-CE2 3.86Å; F180-F228 HydrophobicContact CD1-CZ 4Å; F180-F228 HydrophobicContact CE1-CE2 4.17Å
181R85Confident81.8Confident50 Ų5041.5 Ų41.519%0.18921%0.213CC..Iπ-helixtrans-54.6-47.5173.9-179.7-161.871.7-170.5-1.2111.9A177 T178 L185 F228 F230 P248A177-R181 WeakPolarHBondContact O-CB 3.18Å; A177-R181 PolarHBondContact O-N 3.28Å; T178-R181 WeakPolarHBondContact O-CB 3.19Å; T178-R181 PolarHBondContact O-N 3.09Å; R181-L185 HydrophobicContact CB-CD2 4.47Å; R181-L185 HydrophobicContact CG-CD2 4.31Å; R181-F228 HydrophobicContact CB-CD1 4.48Å; R181-F228 HydrophobicContact CB-CE1 3.95Å; R181-F228 HydrophobicContact CG-CE1 4.47Å; R181-F230 HydrophobicContact CG-CD1 3.79Å; R181-F230 HydrophobicContact CG-CE1 4.23Å; R181-F230 PolarHBondContact NH1-O 2.7Å; R181-P248 HydrophobicContact CG-CG 4.21Å
182D81.9Confident83.3Confident92 Ų9240.9 Ų40.949%0.49221%0.208SC..Iπ-helixtrans-80.2-33.2-172.9-65-20.5000112.8T178 S179 F180T178-D182 PolarHBondContact O-N 3.2Å; T178-D182 VanDerWaalsContact O-N 3.13Å; S179-D182 PolarHBondContact O-N 2.88Å; F180-D182 VanDerWaalsContact C-N 3.33Å; F180-D182 PolarHBondContact O-N 3.47Å
183T83.7Confident84.4Confident65 Ų6535.8 Ų35.840%0.39919%0.188SC..Iπ-helixtrans-93.3-31.3-175.862.40000114.8S179S179-T183 WeakPolarHBondContact O-CB 3.17Å; S179-T183 WeakPolarHBondContact O-CG2 3.46Å; S179-T183 PolarHBondContact O-N 3.29Å; S179-T183 PolarHBondContact O-OG1 3.32Å
184S85.8Confident85.1Confident9 Ų936.7 Ų36.76%0.06320%0.196CC..Iπ-helixtrans-135-36.7-158.7-62.20000114.5I133 F180 K186 D187 I188I133-S184 WeakPolarHBondContact CD1-OG 3.37Å; F180-S184 PolarHBondContact O-N 3.02Å; S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 2.99Å; S184-D187 PolarHBondContact O-N 2.7Å; S184-I188 WeakPolarHBondContact O-CG1 3.43Å; S184-I188 PolarHBondContact O-N 3.25Å; S184-I188 VanDerWaalsContact O-N 3.17Å
185L89.3Confident85.8Confident0 Ų035.5 Ų35.50%019%0.193CC..Iπ-helixtrans-61.1-37.9-173.1-173.568.1000113.1T158 F180 R181 D187 I188 L189 C225 F228 F230 W251T158-L185 HydrophobicContact CG2-CD1 3.69Å; F180-L185 HydrophobicContact CD1-CB 4.45Å; F180-L185 HydrophobicContact CE1-CB 4.33Å; F180-L185 HydrophobicContact CE1-CD1 3.82Å; F180-L185 PolarHBondContact O-N 2.93Å; R181-L185 HydrophobicContact CB-CD2 4.47Å; R181-L185 HydrophobicContact CG-CD2 4.31Å; L185-D187 PolarHBondContact O-N 2.93Å; L185-I188 PolarHBondContact O-N 3.04Å; L185-L189 PolarHBondContact O-N 3.46Å; L185-C225 HydrophobicContact CD1-CB 4.22Å; L185-F228 HydrophobicContact CD1-CD2 4.33Å; L185-F228 HydrophobicContact CD2-CB 3.79Å; L185-F228 HydrophobicContact CD2-CD1 3.73Å; L185-F228 HydrophobicContact CD2-CD2 4.12Å; L185-F228 HydrophobicContact CD2-CE1 4.37Å; L185-F228 HydrophobicContact CD2-CG 3.59Å; L185-F230 HydrophobicContact CD2-CE1 3.81Å; L185-F230 HydrophobicContact CD2-CZ 4.32Å; L185-W251 HydrophobicContact CB-CZ2 4.04Å; L185-W251 HydrophobicContact CD2-CH2 3.73Å; L185-W251 HydrophobicContact CD2-CZ2 3.74Å; L185-W251 HydrophobicContact CG-CH2 3.69Å; L185-W251 HydrophobicContact CG-CZ2 3.64Å
186K88.4Confident86.4Confident63 Ų6331.6 Ų31.627%0.27418%0.176SC..Hα-helixtrans-59.5-47177.2-171.7-179.8167179.30111.7S184 I188 L189 V190 T250 W251 I254S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 2.99Å; K186-I188 VanDerWaalsContact C-N 3.32Å; K186-I188 PolarHBondContact O-N 2.8Å; K186-L189 PolarHBondContact O-N 3.16Å; K186-V190 WeakPolarHBondContact O-CG2 3.42Å; K186-V190 PolarHBondContact O-N 2.96Å; K186-T250 WeakPolarHBondContact CE-O 3.39Å; K186-T250 PolarHBondContact NZ-O 3.41Å; K186-W251 HydrophobicContact CB-CZ2 4.24Å; K186-W251 HydrophobicContact CG-CG 4.34Å; K186-I254 HydrophobicContact CG-CD1 4.19Å
187D88.6Confident86.7Confident95 Ų9534.6 Ų34.651%0.50819%0.189SC..Hα-helixtrans-67.5-36.4-177.1-66.8-13.2000111.2S184 L185 V190 L191S184-D187 PolarHBondContact O-N 2.7Å; L185-D187 PolarHBondContact O-N 2.93Å; D187-V190 PolarHBondContact O-N 3.16Å; D187-L191 VanDerWaalsContact O-CB 3.26Å; D187-L191 WeakPolarHBondContact O-CB 3.47Å; D187-L191 PolarHBondContact O-N 3.46Å
188I90.4Very high86.7Confident1 Ų140 Ų401%0.00521%0.213CC..Hα-helixtrans-62.4-44.3174.3-65.5170.9000110.6L154 F180 S184 L185 K186 L191 A192 L221L154-I188 HydrophobicContact CB-CG2 4.22Å; L154-I188 HydrophobicContact CD1-CG2 4.35Å; L154-I188 HydrophobicContact CD2-CD1 4.22Å; L154-I188 HydrophobicContact CD2-CG1 4.21Å; F180-I188 HydrophobicContact CE2-CD1 4.04Å; F180-I188 HydrophobicContact CZ-CD1 3.66Å; S184-I188 WeakPolarHBondContact O-CG1 3.43Å; S184-I188 PolarHBondContact O-N 3.25Å; S184-I188 VanDerWaalsContact O-N 3.17Å; L185-I188 PolarHBondContact O-N 3.04Å; K186-I188 VanDerWaalsContact C-N 3.32Å; K186-I188 PolarHBondContact O-N 2.8Å; I188-L191 PolarHBondContact O-N 2.88Å; I188-A192 WeakPolarHBondContact O-CB 3.2Å; I188-A192 PolarHBondContact O-N 3.42Å; I188-L221 HydrophobicContact CG2-CD1 3.75Å; I188-L221 HydrophobicContact CG2-CD2 4.19Å; I188-L221 HydrophobicContact CG2-CG 4.23Å
189L89.7Confident86.5Confident0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-62.8-46.6176.9178.565.5000111.9L185 K186 L191 A192 C193 V222 C225 L226 W251 I254L185-L189 PolarHBondContact O-N 3.46Å; K186-L189 PolarHBondContact O-N 3.16Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 3.33Å; L189-A192 PolarHBondContact O-N 3.35Å; L189-C193 PolarHBondContact O-N 2.83Å; L189-C193 PolarHBondContact O-SG 3.26Å; L189-V222 HydrophobicContact CD1-CG1 4.02Å; L189-V222 HydrophobicContact CD1-CG2 4.48Å; L189-C225 HydrophobicContact CB-CB 4.29Å; L189-C225 HydrophobicContact CD1-CB 4.06Å; L189-L226 HydrophobicContact CD2-CD2 4.41Å; L189-W251 HydrophobicContact CB-CH2 4.5Å; L189-W251 HydrophobicContact CD2-CD2 4.49Å; L189-W251 HydrophobicContact CD2-CE3 3.6Å; L189-W251 HydrophobicContact CD2-CH2 4.08Å; L189-W251 HydrophobicContact CD2-CZ3 3.38Å; L189-I254 HydrophobicContact CD2-CD1 4.37Å
190V89.8Confident86.1Confident72 Ų7240.5 Ų40.544%0.43621%0.213SC..Hα-helixtrans-60.4-42.6179.3172.30000110.9K186 D187 C193 S194 I254K186-V190 WeakPolarHBondContact O-CG2 3.42Å; K186-V190 PolarHBondContact O-N 2.96Å; D187-V190 PolarHBondContact O-N 3.16Å; V190-C193 PolarHBondContact O-N 3.23Å; V190-S194 PolarHBondContact O-N 3.42Å; V190-I254 HydrophobicContact CG2-CD1 3.68Å; V190-I254 HydrophobicContact CG2-CG1 4.31Å
191L88.9Confident85.6Confident41 Ų4144.7 Ų44.722%0.21525%0.247CC..Hα-helixtrans-64-41.9176.4-17763.2000112.5L140 L154 D187 I188 L189 C193 S194 L195L140-L191 HydrophobicContact CD1-CD1 4.1Å; L140-L191 HydrophobicContact CD1-CD2 3.4Å; L140-L191 VanDerWaalsContact CD1-CD2 3.4Å; L140-L191 HydrophobicContact CD1-CG 3.93Å; L154-L191 HydrophobicContact CD1-CD2 4.14Å; D187-L191 VanDerWaalsContact O-CB 3.26Å; D187-L191 WeakPolarHBondContact O-CB 3.47Å; D187-L191 PolarHBondContact O-N 3.46Å; I188-L191 PolarHBondContact O-N 2.88Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 3.33Å; L191-C193 VanDerWaalsContact C-N 3.35Å; L191-S194 PolarHBondContact O-N 2.85Å; L191-S194 PolarHBondContact O-OG 2.86Å; L191-L195 WeakPolarHBondContact O-CG 3.38Å; L191-L195 PolarHBondContact O-N 3.49Å
192A90.2Very high85Confident0 Ų049.6 Ų49.60%027%0.27CS..Hα-helixtrans-63.2-42.4175.900000111.5I188 L189 L195 L196 V218 L221 V222I188-A192 WeakPolarHBondContact O-CB 3.2Å; I188-A192 PolarHBondContact O-N 3.42Å; L189-A192 PolarHBondContact O-N 3.35Å; A192-L195 PolarHBondContact O-N 3.42Å; A192-L196 PolarHBondContact O-N 3.3Å; A192-L196 VanDerWaalsContact O-N 3.14Å; A192-V218 HydrophobicContact CB-CG1 4.19Å; A192-V218 WeakPolarHBondContact O-CG1 3.39Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L221 HydrophobicContact CB-CG 4.09Å; A192-V222 HydrophobicContact CB-CG2 3.66Å
193C88.3Confident84Confident12 Ų1251.4 Ų51.48%0.08129%0.286CS..Hα-helixtrans-64.4-39.8175.4-71.70000112.6L189 V190 L191 L196 K197L189-C193 PolarHBondContact O-N 2.83Å; L189-C193 PolarHBondContact O-SG 3.26Å; V190-C193 PolarHBondContact O-N 3.23Å; L191-C193 VanDerWaalsContact C-N 3.35Å; C193-L196 PolarHBondContact O-N 2.89Å; C193-K197 WeakPolarHBondContact O-CG 3.46Å; C193-K197 PolarHBondContact O-N 3.5Å
194S88.5Confident83Confident42 Ų4250.7 Ų50.729%0.29428%0.28SS..Hα-helixtrans-65.4-40.5177.265.20000111.9V190 L191 L196 K197 E198V190-S194 PolarHBondContact O-N 3.42Å; L191-S194 PolarHBondContact O-N 2.85Å; L191-S194 PolarHBondContact O-OG 2.86Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 3.42Å; S194-K197 PolarHBondContact O-N 3.44Å; S194-E198 WeakPolarHBondContact O-CG 3.33Å; S194-E198 PolarHBondContact O-N 3.43Å
195L85.9Confident82.1Confident22 Ų2254.5 Ų54.512%0.11530%0.3CS..Hα-helixtrans-60.3-41.5174.6-70.2170.8000111.7L140 V151 L191 A192 E198 V199 V218L140-L195 HydrophobicContact CD2-CD1 4.13Å; V151-L195 HydrophobicContact CG2-CD1 4.13Å; L191-L195 WeakPolarHBondContact O-CG 3.38Å; L191-L195 PolarHBondContact O-N 3.49Å; A192-L195 PolarHBondContact O-N 3.42Å; L195-E198 PolarHBondContact O-N 3.33Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.34Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V218 HydrophobicContact CB-CG1 4.35Å; L195-V218 HydrophobicContact CD1-CG2 4.48Å
196L86.4Confident80.7Confident2 Ų258.2 Ų58.21%0.0132%0.319CS..Hα-helixtrans-64.3-41.5174.8-70.4173.5000112.4A192 C193 S194 E198 V199 L200 V218 L219 V222 L263 F264 L267A192-L196 PolarHBondContact O-N 3.3Å; A192-L196 VanDerWaalsContact O-N 3.14Å; C193-L196 PolarHBondContact O-N 2.89Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 3.42Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 2.8Å; L196-V199 PolarHBondContact O-N 3.48Å; L196-L200 WeakPolarHBondContact O-CB 3.39Å; L196-L200 PolarHBondContact O-N 3.21Å; L196-V218 HydrophobicContact CD1-CG1 4.14Å; L196-V218 HydrophobicContact CD2-CB 4.06Å; L196-V218 HydrophobicContact CD2-CG1 3.74Å; L196-V218 HydrophobicContact CG-CB 4.42Å; L196-V218 HydrophobicContact CG-CG1 3.55Å; L196-L219 HydrophobicContact CD1-CD2 4.04Å; L196-L219 HydrophobicContact CD2-CD2 4.37Å; L196-L219 HydrophobicContact CD2-CG 4.39Å; L196-V222 HydrophobicContact CD1-CG2 4.06Å; L196-L263 HydrophobicContact CB-CD2 4.03Å; L196-F264 HydrophobicContact CD1-CE1 3.92Å; L196-F264 HydrophobicContact CD1-CZ 4.06Å; L196-L267 HydrophobicContact CB-CD1 4.46Å; L196-L267 HydrophobicContact CD1-CD1 4.18Å; L196-L267 HydrophobicContact CD2-CD1 4.37Å
197K85.9Confident79.4Confident71 Ų7163.8 Ų63.831%0.30935%0.346SS..Hα-helixtrans-60.8-42.7175.7-71.6-173.3-178.4-169.50111.2C193 S194 L200 A201 E259 L263C193-K197 WeakPolarHBondContact O-CG 3.46Å; C193-K197 PolarHBondContact O-N 3.5Å; S194-K197 PolarHBondContact O-N 3.44Å; K197-L200 PolarHBondContact O-N 3.25Å; K197-A201 WeakPolarHBondContact O-CB 3.31Å; K197-A201 PolarHBondContact O-N 2.95Å; K197-E259 IonicContact NZ-OE2 2.84Å; K197-E259 PolarHBondContact NZ-OE2 2.99Å; K197-L263 HydrophobicContact CG-CD1 4.23Å; K197-L263 HydrophobicContact CG-CD2 3.81Å
198E82.9Confident78.8Confident123 Ų12362 Ų6258%0.57534%0.337SS*.Hα-helixtrans-65.2-40.3177.8-74.1179.1-168.600113.1S194 L195 L196 L200 A201S194-E198 WeakPolarHBondContact O-CG 3.33Å; S194-E198 PolarHBondContact O-N 3.43Å; L195-E198 PolarHBondContact O-N 3.33Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 2.8Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-A201 PolarHBondContact O-N 3.49Å
199V78Confident78Confident33 Ų3369.6 Ų69.620%0.237%0.372CS..Hα-helixtrans-66.1-39.3176.9173.30000110.9L195 L196 K202 L204 L214 V215L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.34Å; L195-V199 PolarHBondContact O-N 3.36Å; L196-V199 PolarHBondContact O-N 3.48Å; V199-K202 PolarHBondContact O-N 3.29Å; V199-L204 HydrophobicContact CG1-CD2 3.9Å; V199-L214 HydrophobicContact CG2-CD2 4.26Å; V199-V215 HydrophobicContact CG1-CG2 3.71Å
200L74.4Confident77.2Confident58 Ų5872.3 Ų72.330%0.30439%0.391SS..Hα-helixtrans-75.4-22.7-179.8-157.9123.1000113.5L196 K197 E198 K202 L263 L267L196-L200 WeakPolarHBondContact O-CB 3.39Å; L196-L200 PolarHBondContact O-N 3.21Å; K197-L200 PolarHBondContact O-N 3.25Å; E198-L200 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.05Å; L200-L263 HydrophobicContact CB-CD1 4.39Å; L200-L263 HydrophobicContact CD1-CD1 4.24Å; L200-L263 HydrophobicContact CD2-CD1 4.48Å; L200-L267 HydrophobicContact CD1-CD2 3.38Å; L200-L267 HydrophobicContact CD1-CG 3.73Å
201A74.6Confident76.6Confident87 Ų8772 Ų7272%0.71938%0.384SS*.THydrogen-bonded Turntrans-70.9-17.6175.800000113.3K197 E198K197-A201 WeakPolarHBondContact O-CB 3.31Å; K197-A201 PolarHBondContact O-N 2.95Å; E198-A201 PolarHBondContact O-N 3.49Å
202K72.4Confident76.2Confident154 Ų15473.2 Ų73.267%0.6739%0.389SS*.SBendtrans-100146.7173.2-66176-177.1171.30109.4V199 L200 L204V199-K202 PolarHBondContact O-N 3.29Å; L200-K202 PolarHBondContact O-N 3.05Å; K202-L204 PolarHBondContact O-N 3.39Å
203P61.5Low75.9Confident129 Ų12976 Ų7684%0.83840%0.404SS*.  trans-59.7115.4174.624.1-31.3000109.2N205P203-N205 PolarHBondContact O-N 3.1Å; P203-N205 VanDerWaalsContact O-N 3.09Å
204L63.7Low75.8Confident50 Ų5076.3 Ų76.326%0.26240%0.404SS..  trans-58.6111.7-178.6-79.2158.8000109.6V199 K202 L206 L271V199-L204 HydrophobicContact CG1-CD2 3.9Å; K202-L204 PolarHBondContact O-N 3.39Å; L204-L206 HydrophobicContact CB-CD2 4.41Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact O-N 3.12Å; L204-L271 HydrophobicContact CD1-CD2 4.48Å
205N66.3Low75.7Confident89 Ų8974.5 Ų74.548%0.47639%0.392SS..  trans-83.388.6170.2-168.3-4.1000108.6P203 Q207 D208P203-N205 PolarHBondContact O-N 3.1Å; P203-N205 VanDerWaalsContact O-N 3.09Å; N205-Q207 PolarHBondContact O-N 2.85Å; N205-Q207 PolarHBondContact OD1-N 3.01Å; N205-D208 HydrophobicContact CB-CB 4.46Å; N205-D208 PolarHBondContact O-N 3.42Å
206L60.5Low75.8Confident79 Ų7975.3 Ų75.341%0.41440%0.395SS..THydrogen-bonded Turntrans-61.4-5.7-178.5-65.2174.5000114L204 Q212 P272L204-L206 HydrophobicContact CB-CD2 4.41Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact O-N 3.12Å; L206-Q212 PolarHBondContact O-NE2 3.47Å; L206-P272 HydrophobicContact CD2-CG 4.2Å
207Q60Low75.9Confident179 Ų17976.4 Ų76.484%0.83640%0.401SS*.THydrogen-bonded Turntrans-92.4-14.6174.2-63.7-178-10.200113.6N205 Q209N205-Q207 PolarHBondContact O-N 2.85Å; N205-Q207 PolarHBondContact OD1-N 3.01Å; Q207-Q209 PolarHBondContact O-N 3.48Å
208D75.5Confident76.1Confident58 Ų5873.2 Ų73.231%0.3139%0.387SS..  trans-83.4105.9-179.6-174-7.9000111.1N205 C210 Q211 Q212N205-D208 HydrophobicContact CB-CB 4.46Å; N205-D208 PolarHBondContact O-N 3.42Å; D208-C210 PolarHBondContact O-N 3.21Å; D208-C210 WeakPolarHBondContact OD1-CB 3.35Å; D208-C210 PolarHBondContact OD1-N 3.33Å; D208-Q211 HydrophobicContact CB-CB 4.15Å; D208-Q211 HydrophobicContact CB-CG 4.16Å; D208-Q211 PolarHBondContact O-N 3.18Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.3Å; D208-Q212 PolarHBondContact O-N 3.49Å
209Q74.9Confident76.4Confident160 Ų16067.3 Ų67.375%0.74836%0.359SS*.Hα-helixtrans-62.2-28-179-163.5166.77.900112.9Q207 N213Q207-Q209 PolarHBondContact O-N 3.48Å; Q209-N213 WeakPolarHBondContact O-CB 3.38Å; Q209-N213 PolarHBondContact O-N 3.47Å
210C72.9Confident77Confident58 Ų5869.3 Ų69.339%0.39237%0.365SS..Hα-helixtrans-72.3-40176.4-74.20000111.7V144 D208 N213 L214V144-C210 HydrophobicContact CG1-CB 4.33Å; D208-C210 PolarHBondContact O-N 3.21Å; D208-C210 WeakPolarHBondContact OD1-CB 3.35Å; D208-C210 PolarHBondContact OD1-N 3.33Å; C210-N213 PolarHBondContact O-N 2.94Å; C210-L214 PolarHBondContact O-N 3.36Å
211Q76.7Confident77.9Confident66 Ų6666.6 Ų66.631%0.30835%0.351SS..Hα-helixtrans-67.2-42.1174.8-73.3-175.62.300111.8D208 N213 L214 V215D208-Q211 HydrophobicContact CB-CB 4.15Å; D208-Q211 HydrophobicContact CB-CG 4.16Å; D208-Q211 PolarHBondContact O-N 3.18Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.3Å; Q211-N213 VanDerWaalsContact C-N 3.33Å; Q211-N213 PolarHBondContact O-N 3.45Å; Q211-L214 PolarHBondContact O-N 3.37Å; Q211-V215 WeakPolarHBondContact O-CG2 3.38Å; Q211-V215 PolarHBondContact O-N 3.06Å
212Q80.9Confident78.7Confident66 Ų6662.4 Ų62.431%0.30832%0.317SS..Hα-helixtrans-60.1-43.6174.7-70.7-171.1-6.300111.9L206 D208 V215 M216 L275L206-Q212 PolarHBondContact O-NE2 3.47Å; D208-Q212 PolarHBondContact O-N 3.49Å; Q212-V215 PolarHBondContact O-N 3.19Å; Q212-M216 WeakPolarHBondContact O-CB 3.28Å; Q212-M216 PolarHBondContact O-N 3Å; Q212-L275 HydrophobicContact CB-CD1 4.25Å; Q212-L275 HydrophobicContact CG-CD1 4.37Å
213N83.9Confident79.5Confident58 Ų5856.3 Ų56.331%0.3129%0.291SS..Hα-helixtrans-63.8-41.2177-170.828.8000111.5Q209 C210 Q211 M216 Q217Q209-N213 WeakPolarHBondContact O-CB 3.38Å; Q209-N213 PolarHBondContact O-N 3.47Å; C210-N213 PolarHBondContact O-N 2.94Å; Q211-N213 VanDerWaalsContact C-N 3.33Å; Q211-N213 PolarHBondContact O-N 3.45Å; N213-M216 WeakPolarHBondContact O-CB 3.49Å; N213-M216 PolarHBondContact O-N 2.92Å; N213-M216 WeakPolarHBondContact OD1-CE 3.24Å; N213-Q217 VanDerWaalsContact O-CG 3.32Å; N213-Q217 WeakPolarHBondContact O-CG 3.41Å; N213-Q217 PolarHBondContact O-N 2.93Å
214L85.3Confident80.8Confident18 Ų1851.9 Ų51.99%0.09426%0.261CS..Hα-helixtrans-58.6-50.9174.2-179.964.7000111.5V144 C147 V148 V151 V199 C210 Q211 M216 Q217 V218V144-L214 HydrophobicContact CG1-CD2 4.35Å; C147-L214 HydrophobicContact CB-CD1 4.35Å; V148-L214 HydrophobicContact CG2-CB 3.86Å; V148-L214 HydrophobicContact CG2-CD1 3.86Å; V148-L214 HydrophobicContact CG2-CG 4.46Å; V151-L214 HydrophobicContact CG2-CD1 4.34Å; V199-L214 HydrophobicContact CG2-CD2 4.26Å; C210-L214 PolarHBondContact O-N 3.36Å; Q211-L214 PolarHBondContact O-N 3.37Å; L214-M216 VanDerWaalsContact C-N 3.3Å; L214-M216 PolarHBondContact O-N 3.26Å; L214-Q217 PolarHBondContact O-N 3.37Å; L214-V218 HydrophobicContact CD1-CG2 4.03Å; L214-V218 HydrophobicContact CG-CG2 4.34Å; L214-V218 VanDerWaalsContact O-CG2 3.25Å; L214-V218 WeakPolarHBondContact O-CG2 3.2Å; L214-V218 PolarHBondContact O-N 2.98Å
215V86.2Confident82.1Confident5 Ų549.5 Ų49.53%0.0325%0.248CC..Hα-helixtrans-58.9-43178.1174.40000111.1V199 Q211 Q212 Q217 V218 L219 L271 L275V199-V215 HydrophobicContact CG1-CG2 3.71Å; Q211-V215 WeakPolarHBondContact O-CG2 3.38Å; Q211-V215 PolarHBondContact O-N 3.06Å; Q212-V215 PolarHBondContact O-N 3.19Å; V215-Q217 PolarHBondContact O-N 2.91Å; V215-V218 PolarHBondContact O-N 2.97Å; V215-L219 HydrophobicContact CG1-CD1 3.83Å; V215-L219 HydrophobicContact CG1-CG 4.28Å; V215-L219 WeakPolarHBondContact O-CB 3.39Å; V215-L219 WeakPolarHBondContact O-CG 3.43Å; V215-L219 PolarHBondContact O-N 3.48Å; V215-L271 HydrophobicContact CG1-CD1 3.99Å; V215-L271 HydrophobicContact CG1-CD2 4.15Å; V215-L275 HydrophobicContact CB-CD1 4.47Å; V215-L275 HydrophobicContact CG1-CD1 4.32Å
216M88.4Confident83Confident39 Ų3945.3 Ų45.319%0.19223%0.226CC..Hα-helixtrans-57.3-50176.6-171.9176.85100111.9Q212 N213 L214 L219 K220 L274 L275 L278Q212-M216 WeakPolarHBondContact O-CB 3.28Å; Q212-M216 PolarHBondContact O-N 3Å; N213-M216 WeakPolarHBondContact O-CB 3.49Å; N213-M216 PolarHBondContact O-N 2.92Å; N213-M216 WeakPolarHBondContact OD1-CE 3.24Å; L214-M216 VanDerWaalsContact C-N 3.3Å; L214-M216 PolarHBondContact O-N 3.26Å; M216-L219 PolarHBondContact O-N 3.23Å; M216-K220 HydrophobicContact CG-CD 4.41Å; M216-K220 WeakPolarHBondContact O-CG 3.2Å; M216-K220 PolarHBondContact O-N 3.32Å; M216-L274 HydrophobicContact SD-CD2 4.49Å; M216-L275 HydrophobicContact CB-CD2 3.54Å; M216-L275 HydrophobicContact CG-CD2 3.98Å; M216-L278 HydrophobicContact CG-CD1 3.83Å
217Q88.4Confident84.3Confident25 Ų2545 Ų4512%0.11722%0.224CC..Hα-helixtrans-67.9-37-178.1-63.3-58.6-20.100111.7V148 V151 I152 N213 L214 V215 K220 L221V148-Q217 HydrophobicContact CG1-CG 4.29Å; V151-Q217 HydrophobicContact CB-CB 4.4Å; V151-Q217 VanDerWaalsContact CG1-C 3.42Å; V151-Q217 HydrophobicContact CG1-CB 3.73Å; V151-Q217 WeakPolarHBondContact CG1-O 3.38Å; I152-Q217 HydrophobicContact CD1-CG 4.38Å; I152-Q217 HydrophobicContact CG1-CB 4.48Å; I152-Q217 HydrophobicContact CG1-CG 3.97Å; N213-Q217 VanDerWaalsContact O-CG 3.32Å; N213-Q217 WeakPolarHBondContact O-CG 3.41Å; N213-Q217 PolarHBondContact O-N 2.93Å; L214-Q217 PolarHBondContact O-N 3.37Å; V215-Q217 PolarHBondContact O-N 2.91Å; Q217-K220 PolarHBondContact O-N 3.4Å; Q217-L221 WeakPolarHBondContact O-CB 3.3Å; Q217-L221 PolarHBondContact O-N 2.89Å
218V90.3Very high85.5Confident3 Ų336.7 Ų36.72%0.01819%0.185CC..Hα-helixtrans-69.4-40.2177.8-178.50000111V151 A192 L195 L196 L214 V215 L221 V222V151-V218 HydrophobicContact CB-CG2 4.45Å; V151-V218 HydrophobicContact CG1-CB 4.42Å; V151-V218 HydrophobicContact CG1-CG2 3.89Å; V151-V218 HydrophobicContact CG2-CG2 3.77Å; A192-V218 HydrophobicContact CB-CG1 4.19Å; A192-V218 WeakPolarHBondContact O-CG1 3.39Å; L195-V218 HydrophobicContact CB-CG1 4.35Å; L195-V218 HydrophobicContact CD1-CG2 4.48Å; L196-V218 HydrophobicContact CD1-CG1 4.14Å; L196-V218 HydrophobicContact CD2-CB 4.06Å; L196-V218 HydrophobicContact CD2-CG1 3.74Å; L196-V218 HydrophobicContact CG-CB 4.42Å; L196-V218 HydrophobicContact CG-CG1 3.55Å; L214-V218 HydrophobicContact CD1-CG2 4.03Å; L214-V218 HydrophobicContact CG-CG2 4.34Å; L214-V218 VanDerWaalsContact O-CG2 3.25Å; L214-V218 WeakPolarHBondContact O-CG2 3.2Å; L214-V218 PolarHBondContact O-N 2.98Å; V215-V218 PolarHBondContact O-N 2.97Å; V218-L221 WeakPolarHBondContact O-CB 3.32Å; V218-L221 PolarHBondContact O-N 3.47Å; V218-V222 WeakPolarHBondContact O-CG2 3.2Å; V218-V222 PolarHBondContact O-N 3Å
219L90.7Very high85.6Confident0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-63.2-41.6173.6-73.8172.5000111.9L196 V215 M216 L221 V222 L223 F264 L267 L271 L278 A279L196-L219 HydrophobicContact CD1-CD2 4.04Å; L196-L219 HydrophobicContact CD2-CD2 4.37Å; L196-L219 HydrophobicContact CD2-CG 4.39Å; V215-L219 HydrophobicContact CG1-CD1 3.83Å; V215-L219 HydrophobicContact CG1-CG 4.28Å; V215-L219 WeakPolarHBondContact O-CB 3.39Å; V215-L219 WeakPolarHBondContact O-CG 3.43Å; V215-L219 PolarHBondContact O-N 3.48Å; M216-L219 PolarHBondContact O-N 3.23Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 2.99Å; L219-V222 PolarHBondContact O-N 3.45Å; L219-L223 WeakPolarHBondContact O-CB 3.25Å; L219-L223 PolarHBondContact O-N 3.26Å; L219-F264 HydrophobicContact CD2-CD1 4.32Å; L219-F264 HydrophobicContact CD2-CE1 4.02Å; L219-L267 HydrophobicContact CD2-CD1 4.41Å; L219-L271 HydrophobicContact CD1-CD1 4.19Å; L219-L278 HydrophobicContact CB-CB 3.99Å; L219-L278 HydrophobicContact CB-CD1 4.42Å; L219-L278 HydrophobicContact CD1-CB 4.05Å; L219-A279 HydrophobicContact CD1-CB 4.48Å; L219-A279 HydrophobicContact CD2-CB 4.44Å
220K90.1Very high85.5Confident74 Ų7428.2 Ų28.232%0.32215%0.145SC..Hα-helixtrans-60-41.5172.8-75.7176.3178.5179.90112M216 Q217 L223 N224 L278M216-K220 HydrophobicContact CG-CD 4.41Å; M216-K220 WeakPolarHBondContact O-CG 3.2Å; M216-K220 PolarHBondContact O-N 3.32Å; Q217-K220 PolarHBondContact O-N 3.4Å; K220-L223 PolarHBondContact O-N 2.93Å; K220-N224 WeakPolarHBondContact O-CB 3.43Å; K220-N224 VanDerWaalsContact O-CG 3.26Å; K220-N224 PolarHBondContact O-N 3.22Å; K220-L278 HydrophobicContact CG-CD1 4.18Å; K220-L278 HydrophobicContact CG-CD2 4.4Å
221L91.9Very high85.1Confident1 Ų129.5 Ų29.51%0.00515%0.147CC..Hα-helixtrans-61.3-47.7175.617660000111.6V151 L154 I188 A192 Q217 V218 L219 L223 N224 C225V151-L221 HydrophobicContact CG1-CB 4.12Å; V151-L221 HydrophobicContact CG1-CD2 4.05Å; L154-L221 HydrophobicContact CB-CD1 3.74Å; L154-L221 HydrophobicContact CB-CD2 3.87Å; L154-L221 HydrophobicContact CB-CG 4.49Å; L154-L221 HydrophobicContact CD1-CD2 4.07Å; I188-L221 HydrophobicContact CG2-CD1 3.75Å; I188-L221 HydrophobicContact CG2-CD2 4.19Å; I188-L221 HydrophobicContact CG2-CG 4.23Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L221 HydrophobicContact CB-CG 4.09Å; Q217-L221 WeakPolarHBondContact O-CB 3.3Å; Q217-L221 PolarHBondContact O-N 2.89Å; V218-L221 WeakPolarHBondContact O-CB 3.32Å; V218-L221 PolarHBondContact O-N 3.47Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 2.99Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.73Å; L221-N224 PolarHBondContact O-N 2.94Å; L221-C225 PolarHBondContact O-N 3.41Å; L221-C225 PolarHBondContact O-SG 2.73Å
222V91.7Very high84.3Confident0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-58.1-47.1175.7173.10000110.6L189 A192 L196 V218 L219 N224 C225 L226 F264 C282L189-V222 HydrophobicContact CD1-CG1 4.02Å; L189-V222 HydrophobicContact CD1-CG2 4.48Å; A192-V222 HydrophobicContact CB-CG2 3.66Å; L196-V222 HydrophobicContact CD1-CG2 4.06Å; V218-V222 WeakPolarHBondContact O-CG2 3.2Å; V218-V222 PolarHBondContact O-N 3Å; L219-V222 PolarHBondContact O-N 3.45Å; V222-N224 PolarHBondContact O-N 2.83Å; V222-C225 WeakPolarHBondContact O-CB 3.45Å; V222-C225 PolarHBondContact O-N 2.95Å; V222-L226 HydrophobicContact CG1-CD1 3.88Å; V222-L226 HydrophobicContact CG1-CG 4.38Å; V222-L226 WeakPolarHBondContact O-CG 3.25Å; V222-L226 PolarHBondContact O-N 3.25Å; V222-F264 HydrophobicContact CG1-CE1 4.08Å; V222-F264 HydrophobicContact CG1-CZ 3.79Å; V222-F264 HydrophobicContact CG2-CZ 4.4Å; V222-C282 HydrophobicContact CG1-CB 4.42Å
223L89.6Confident82.8Confident25 Ų2528.5 Ų28.513%0.13116%0.16CC..Hα-helixtrans-60.6-44.5179.6-176.160.4000111.7L219 K220 L221 C225 L226 N227 L278 Q285L219-L223 WeakPolarHBondContact O-CB 3.25Å; L219-L223 PolarHBondContact O-N 3.26Å; K220-L223 PolarHBondContact O-N 2.93Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.73Å; L223-C225 VanDerWaalsContact C-N 3.32Å; L223-C225 PolarHBondContact O-N 3.39Å; L223-L226 PolarHBondContact O-N 3.46Å; L223-N227 VanDerWaalsContact O-CB 3.31Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 2.97Å; L223-L278 HydrophobicContact CD2-CD2 4.46Å; L223-Q285 HydrophobicContact CD1-CG 3.94Å
224N89.4Confident81.2Confident37 Ų3728.9 Ų28.920%0.19817%0.167CC..Hα-helixtrans-62.9-37.3176.4-75-14.3000112.2S155 T158 K220 L221 V222 F228S155-N224 PolarHBondContact OG-ND2 2.9Å; T158-N224 HydrophobicContact CG2-CB 4.2Å; K220-N224 WeakPolarHBondContact O-CB 3.43Å; K220-N224 VanDerWaalsContact O-CG 3.26Å; K220-N224 PolarHBondContact O-N 3.22Å; L221-N224 PolarHBondContact O-N 2.94Å; V222-N224 PolarHBondContact O-N 2.83Å; N224-F228 PolarHBondContact O-N 3.02Å
225C89.8Confident79.1Confident0 Ų031 Ų310%019%0.187CC..Hα-helixtrans-65.9-38.2174.2-70.80000112.7L185 L189 L221 V222 L223 F228L185-C225 HydrophobicContact CD1-CB 4.22Å; L189-C225 HydrophobicContact CB-CB 4.29Å; L189-C225 HydrophobicContact CD1-CB 4.06Å; L221-C225 PolarHBondContact O-N 3.41Å; L221-C225 PolarHBondContact O-SG 2.73Å; V222-C225 WeakPolarHBondContact O-CB 3.45Å; V222-C225 PolarHBondContact O-N 2.95Å; L223-C225 VanDerWaalsContact C-N 3.32Å; L223-C225 PolarHBondContact O-N 3.39Å; C225-F228 WeakPolarHBondContact O-CB 3.39Å
226L86.8Confident77Confident1 Ų135.3 Ų35.31%0.00521%0.21CC..Hα-helixtrans-77.9-31.3179.7-66.1174000112.8L189 V222 L223 F228 F255 Q285 F286L189-L226 HydrophobicContact CD2-CD2 4.41Å; V222-L226 HydrophobicContact CG1-CD1 3.88Å; V222-L226 HydrophobicContact CG1-CG 4.38Å; V222-L226 WeakPolarHBondContact O-CG 3.25Å; V222-L226 PolarHBondContact O-N 3.25Å; L223-L226 PolarHBondContact O-N 3.46Å; L226-F228 VanDerWaalsContact C-N 3.27Å; L226-F228 PolarHBondContact O-N 3.04Å; L226-F255 HydrophobicContact CD2-CZ 4.11Å; L226-Q285 HydrophobicContact CB-CB 3.75Å; L226-Q285 HydrophobicContact CB-CG 4.12Å; L226-Q285 HydrophobicContact CD1-CB 3.93Å; L226-Q285 HydrophobicContact CG-CB 4.41Å; L226-F286 HydrophobicContact CD1-CD2 4.12Å; L226-F286 HydrophobicContact CD1-CE1 4.44Å; L226-F286 HydrophobicContact CD1-CE2 3.74Å; L226-F286 HydrophobicContact CD1-CZ 3.9Å; L226-F286 HydrophobicContact CD2-CE1 4.41Å; L226-F286 HydrophobicContact CD2-CZ 4.48Å
227N86.3Confident74.6Confident71 Ų7143.3 Ų43.338%0.3825%0.247SC..SBendtrans-81.8-0.2176.7-74.1-15.6000113.9L223 Q285L223-N227 VanDerWaalsContact O-CB 3.31Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 2.97Å; N227-Q285 VanDerWaalsContact OD1-CG 3.25Å; N227-Q285 WeakPolarHBondContact OD1-CG 3.36Å; N227-Q285 PolarHBondContact OD1-NE2 2.98Å; N227-Q285 PolarHBondContact OD1-OE1 3.42Å
228F85Confident72.2Confident5 Ų546.6 Ų46.62%0.02227%0.273CS..SBendtrans-60.3138.3-179.1-165-90.1000111.2T158 M161 N162 A177 F180 R181 L185 N224 C225 L226 F230T158-F228 HydrophobicContact CG2-CD2 4.06Å; M161-F228 HydrophobicContact CB-CE2 4.16Å; N162-F228 HydrophobicContact CB-CD2 3.94Å; N162-F228 HydrophobicContact CB-CE2 3.89Å; A177-F228 HydrophobicContact CB-CE1 4.42Å; A177-F228 HydrophobicContact CB-CZ 4Å; F180-F228 AromaticContact CD1-CE2 3.86Å; F180-F228 HydrophobicContact CD1-CE2 3.86Å; F180-F228 HydrophobicContact CD1-CZ 4Å; F180-F228 HydrophobicContact CE1-CE2 4.17Å; R181-F228 HydrophobicContact CB-CD1 4.48Å; R181-F228 HydrophobicContact CB-CE1 3.95Å; R181-F228 HydrophobicContact CG-CE1 4.47Å; L185-F228 HydrophobicContact CD1-CD2 4.33Å; L185-F228 HydrophobicContact CD2-CB 3.79Å; L185-F228 HydrophobicContact CD2-CD1 3.73Å; L185-F228 HydrophobicContact CD2-CD2 4.12Å; L185-F228 HydrophobicContact CD2-CE1 4.37Å; L185-F228 HydrophobicContact CD2-CG 3.59Å; N224-F228 PolarHBondContact O-N 3.02Å; C225-F228 WeakPolarHBondContact O-CB 3.39Å; L226-F228 VanDerWaalsContact C-N 3.27Å; L226-F228 PolarHBondContact O-N 3.04Å; F228-F230 HydrophobicContact CB-CE1 4.5Å; F228-F230 HydrophobicContact CB-CE2 4.37Å; F228-F230 HydrophobicContact CB-CZ 4.19Å; F228-F230 HydrophobicContact CD1-CD1 4.47Å; F228-F230 WeakPolarHBondContact O-CD2 3.33Å; F228-F230 VanDerWaalsContact O-CE2 3.24Å; F228-F230 WeakPolarHBondContact O-CE2 3.39Å; F228-F230 PolarHBondContact O-N 3.45Å
229D77.8Confident69.9Low30 Ų3049.3 Ų49.316%0.1630%0.295CS..  trans-76.194177.9-173.3-1.8000110.6N162 I231 G232 S233 S234N162-D229 WeakPolarHBondContact OD1-CB 3.35Å; N162-D229 PolarHBondContact OD1-N 3.47Å; D229-I231 PolarHBondContact O-N 3.43Å; D229-I231 PolarHBondContact OD1-N 3.02Å; D229-G232 VanDerWaalsContact CG-N 3.27Å; D229-G232 PolarHBondContact OD1-N 3.28Å; D229-G232 VanDerWaalsContact OD2-C 3.23Å; D229-G232 WeakPolarHBondContact OD2-CA 3.26Å; D229-G232 PolarHBondContact OD2-N 3.41Å; D229-S233 PolarHBondContact OD1-N 3.44Å; D229-S233 PolarHBondContact OD2-N 3.36Å; D229-S234 WeakPolarHBondContact CB-OG 3.49Å; D229-S234 WeakPolarHBondContact OD2-CB 3.49Å; D229-S234 PolarHBondContact OD2-N 3.27Å; D229-S234 PolarHBondContact OD2-OG 2.74Å
230F74.3Confident67.9Low10 Ų1054.3 Ų54.34%0.04432%0.322CS..SBendtrans-70.5-17.3-179.8-60.7-80000113.8R181 L185 F228 V245 Q246 I247 P248 W251R181-F230 HydrophobicContact CG-CD1 3.79Å; R181-F230 HydrophobicContact CG-CE1 4.23Å; R181-F230 PolarHBondContact NH1-O 2.7Å; L185-F230 HydrophobicContact CD2-CE1 3.81Å; L185-F230 HydrophobicContact CD2-CZ 4.32Å; F228-F230 HydrophobicContact CB-CE1 4.5Å; F228-F230 HydrophobicContact CB-CE2 4.37Å; F228-F230 HydrophobicContact CB-CZ 4.19Å; F228-F230 HydrophobicContact CD1-CD1 4.47Å; F228-F230 WeakPolarHBondContact O-CD2 3.33Å; F228-F230 VanDerWaalsContact O-CE2 3.24Å; F228-F230 WeakPolarHBondContact O-CE2 3.39Å; F228-F230 PolarHBondContact O-N 3.45Å; F230-V245 HydrophobicContact CD2-CG1 3.67Å; F230-V245 HydrophobicContact CE2-CG1 3.6Å; F230-Q246 WeakPolarHBondContact CB-O 3.42Å; F230-Q246 WeakPolarHBondContact CG-O 3.36Å; F230-I247 HydrophobicContact CE2-CG1 4.16Å; F230-I247 HydrophobicContact CZ-CG1 4.48Å; F230-P248 HydrophobicContact CD1-CG 3.83Å; F230-P248 HydrophobicContact CE1-CG 4.25Å; F230-W251 AromaticContact CE1-CH2 3.87Å; F230-W251 HydrophobicContact CE1-CH2 3.87Å; F230-W251 HydrophobicContact CE1-CZ2 4.07Å; F230-W251 HydrophobicContact CE1-CZ3 4.21Å; F230-W251 AromaticContact CZ-CH2 3.87Å; F230-W251 HydrophobicContact CZ-CH2 3.87Å; F230-W251 AromaticContact CZ-CZ3 3.89Å; F230-W251 HydrophobicContact CZ-CZ3 3.89Å
231I64.4Low66.2Low85 Ų8554.3 Ų54.344%0.43633%0.325SS..SBendtrans-111.2-22.7-171.2-50.5168.8000111.9D229 Q246D229-I231 PolarHBondContact O-N 3.43Å; D229-I231 PolarHBondContact OD1-N 3.02Å; I231-Q246 HydrophobicContact CD1-CB 3.69Å; I231-Q246 HydrophobicContact CD1-CG 3.55Å; I231-Q246 HydrophobicContact CG1-CB 3.87Å; I231-Q246 HydrophobicContact CG1-CG 4.27Å
232G59.1Low64.6Low33 Ų3354.7 Ų54.734%0.3433%0.327SS..SBendtrans7626-17200000112.8D229D229-G232 VanDerWaalsContact CG-N 3.27Å; D229-G232 PolarHBondContact OD1-N 3.28Å; D229-G232 VanDerWaalsContact OD2-C 3.23Å; D229-G232 WeakPolarHBondContact OD2-CA 3.26Å; D229-G232 PolarHBondContact OD2-N 3.41Å
233S50.3Low63.2Low78 Ų7858.4 Ų58.455%0.54535%0.352SS..  trans-101.7-9.5-176.253.50000114.4D229 A235D229-S233 PolarHBondContact OD1-N 3.44Å; D229-S233 PolarHBondContact OD2-N 3.36Å; S233-A235 PolarHBondContact O-N 3.19Å
234S49.7Very low62.2Low67 Ų6759.5 Ų59.547%0.46936%0.36SS..  trans-80.862.1-17963.20000111.9D229 D236D229-S234 WeakPolarHBondContact CB-OG 3.49Å; D229-S234 WeakPolarHBondContact OD2-CB 3.49Å; D229-S234 PolarHBondContact OD2-N 3.27Å; D229-S234 PolarHBondContact OD2-OG 2.74Å; S234-D236 VanDerWaalsContact C-N 3.28Å
235A42.2Very low61.5Low63 Ų6358.8 Ų58.852%0.52136%0.357SS..  trans-84.3-5.4170.500000112.7S233S233-A235 PolarHBondContact O-N 3.19Å
236D41.6Very low60.8Low95 Ų9562.7 Ų62.751%0.50838%0.376SS..  trans-135.4105.5-169.4-156.531.8000110.4S234 S238 A239S234-D236 VanDerWaalsContact C-N 3.28Å; D236-S238 PolarHBondContact O-N 3.31Å; D236-S238 VanDerWaalsContact O-N 3.17Å; D236-S238 PolarHBondContact OD1-OG 3.23Å; D236-S238 PolarHBondContact OD2-OG 3.05Å; D236-A239 WeakPolarHBondContact O-CB 3.12Å; D236-A239 PolarHBondContact O-N 3.06Å; D236-A239 VanDerWaalsContact O-N 3.11Å
237E36.8Very low60.6Low207 Ų20763.4 Ų63.497%0.96738%0.379SS*.THydrogen-bonded Turntrans-63.4-12.6173.7-68.6-176.4163.600112.1
238S39.1Very low60.4Low94 Ų9461.2 Ų61.266%0.65737%0.369SS*.THydrogen-bonded Turntrans-87.62.5172.748.50000115.4D236D236-S238 PolarHBondContact O-N 3.31Å; D236-S238 VanDerWaalsContact O-N 3.17Å; D236-S238 PolarHBondContact OD1-OG 3.23Å; D236-S238 PolarHBondContact OD2-OG 3.05Å
239A41Very low60.1Low59 Ų5966.6 Ų66.649%0.48840%0.402SS..SBendtrans-66.8137.1176.100000111.1D236 D241D236-A239 WeakPolarHBondContact O-CB 3.12Å; D236-A239 PolarHBondContact O-N 3.06Å; D236-A239 VanDerWaalsContact O-N 3.11Å; A239-D241 PolarHBondContact O-N 3.07Å
240D48.6Very low60.3Low106 Ų10669.1 Ų69.157%0.56742%0.419SS*.  trans-42.7121.3-177.1-118.1-3.6000112.3L242 C243D240-L242 PolarHBondContact O-N 3.34Å; D240-C243 PolarHBondContact O-N 3.25Å; D240-C243 PolarHBondContact O-SG 3.01Å
241D54.4Low60.9Low73 Ų7368.7 Ų68.739%0.3942%0.417SS..THydrogen-bonded Turntrans-69.623-177.7-152.141.2000112.8A239 R331 R335 Y378A239-D241 PolarHBondContact O-N 3.07Å; D241-R331 IonicContact OD1-NH2 3Å; D241-R331 PolarHBondContact OD1-NH2 3.48Å; D241-R331 IonicContact OD2-CZ 2.9Å; D241-R331 IonicContact OD2-NE 3.04Å; D241-R331 PolarHBondContact OD2-NE 3.17Å; D241-R331 IonicContact OD2-NH2 3.68Å; D241-R331 PolarHBondContact OD2-NH2 3.38Å; D241-R335 PolarHBondContact O-NE 3.36Å; D241-R335 PolarHBondContact O-NH2 2.92Å; D241-Y378 PolarHBondContact OD2-OH 3.41Å
242L58.1Low61.8Low9 Ų967.5 Ų67.55%0.04741%0.407CS..THydrogen-bonded Turntrans-121.13.5-179-76.4154.8000112.5D240 A334 R335 T338 T381D240-L242 PolarHBondContact O-N 3.34Å; L242-A334 HydrophobicContact CD2-CB 4Å; L242-R335 VanDerWaalsContact CA-CZ 3.44Å; L242-R335 PolarHBondContact O-NH1 3.37Å; L242-R335 VanDerWaalsContact O-NH1 3.14Å; L242-T338 VanDerWaalsContact O-CG2 3.25Å; L242-T338 WeakPolarHBondContact O-CG2 3.34Å; L242-T381 HydrophobicContact CD1-CG2 3.87Å; L242-T381 HydrophobicContact CD2-CG2 4.48Å
243C62.8Low63.1Low78 Ų7870 Ų7053%0.52742%0.416SS..PPolyproline II helixtrans-66.7136.5-179-70.80000113.8D240 R335D240-C243 PolarHBondContact O-N 3.25Å; D240-C243 PolarHBondContact O-SG 3.01Å; C243-R335 PolarHBondContact O-NH1 2.91Å
244T68.6Low64.7Low48 Ų4866.9 Ų66.929%0.29439%0.393SS..PPolyproline II helixtrans-72.2137.8175.757.70000111.6S288 N339T244-S288 CarbonylContact C-O 3.58Å; T244-S288 WeakPolarHBondContact CA-O 3.39Å; T244-N339 HydrophobicContact CG2-CB 4.35Å
245V75.2Confident66.3Low23 Ų2363.9 Ų63.914%0.13937%0.371CS..BIsolated β-bridgetrans-79.4126.8176.5-174.70000109.5F230 I247 S288 R290F230-V245 HydrophobicContact CD2-CG1 3.67Å; F230-V245 HydrophobicContact CE2-CG1 3.6Å; V245-I247 HydrophobicContact CB-CG1 4.39Å; V245-I247 HydrophobicContact CG1-CD1 4.35Å; V245-I247 HydrophobicContact CG1-CG1 3.71Å; V245-I247 PolarHBondContact O-N 3.01Å; V245-S288 PolarHBondContact N-O 3.44Å; V245-R290 PolarHBondContact O-N 2.98Å
246Q75.6Confident68.2Low82 Ų8263.5 Ų63.538%0.38336%0.361SS..  trans-95.380178.6-65.2-170.927.900111.3F230 I231F230-Q246 WeakPolarHBondContact CB-O 3.42Å; F230-Q246 WeakPolarHBondContact CG-O 3.36Å; I231-Q246 HydrophobicContact CD1-CB 3.69Å; I231-Q246 HydrophobicContact CD1-CG 3.55Å; I231-Q246 HydrophobicContact CG1-CB 3.87Å; I231-Q246 HydrophobicContact CG1-CG 4.27Å
247I82.1Confident70.2Confident16 Ų1663.4 Ų63.48%0.08236%0.357CS..  trans-72.6139.1179.9-54.2-173.4000110.3F230 V245 W251 F255 T289F230-I247 HydrophobicContact CE2-CG1 4.16Å; F230-I247 HydrophobicContact CZ-CG1 4.48Å; V245-I247 HydrophobicContact CB-CG1 4.39Å; V245-I247 HydrophobicContact CG1-CD1 4.35Å; V245-I247 HydrophobicContact CG1-CG1 3.71Å; V245-I247 PolarHBondContact O-N 3.01Å; I247-W251 HydrophobicContact CG2-CB 3.64Å; I247-W251 HydrophobicContact CG2-CD2 3.74Å; I247-W251 HydrophobicContact CG2-CE3 3.5Å; I247-W251 HydrophobicContact CG2-CG 3.82Å; I247-W251 HydrophobicContact CG2-CZ3 4.35Å; I247-F255 HydrophobicContact CD1-CE1 3.75Å; I247-F255 HydrophobicContact CD1-CE2 3.89Å; I247-F255 HydrophobicContact CD1-CZ 3.21Å; I247-F255 HydrophobicContact CG2-CE2 4.09Å; I247-F255 HydrophobicContact CG2-CZ 4.42Å; I247-T289 HydrophobicContact CD1-CG2 3.83Å; I247-T289 WeakPolarHBondContact CD1-OG1 3.38Å; I247-T289 HydrophobicContact CG1-CG2 4.26Å
248P81.4Confident71.9Confident25 Ų2556.2 Ų56.216%0.16233%0.328CS..  trans-54.9144.4174-27.534.9000113.2R181 F230 T250 W251R181-P248 HydrophobicContact CG-CG 4.21Å; F230-P248 HydrophobicContact CD1-CG 3.83Å; F230-P248 HydrophobicContact CE1-CG 4.25Å; P248-T250 PolarHBondContact O-N 3.15Å; P248-T250 VanDerWaalsContact O-N 3.15Å; P248-W251 PolarHBondContact O-N 3.36Å
249T79.7Confident73.9Confident117 Ų11757.5 Ų57.572%0.71832%0.324SS*.G310 helixtrans-59.9-27.4179.849.20000113.2W251 R252 L293T249-W251 PolarHBondContact O-N 3.37Å; T249-W251 VanDerWaalsContact O-N 3.16Å; T249-R252 WeakPolarHBondContact O-CB 3.33Å; T249-R252 PolarHBondContact O-N 3.41Å; T249-R252 VanDerWaalsContact O-N 3.12Å; T249-L293 HydrophobicContact CG2-CD1 4.46Å
250T81.9Confident75.9Confident84 Ų8455 Ų5552%0.51530%0.302SS..G310 helixtrans-62.2-19.1176.754.60000113.4K186 P248K186-T250 WeakPolarHBondContact CE-O 3.39Å; K186-T250 PolarHBondContact NZ-O 3.41Å; P248-T250 PolarHBondContact O-N 3.15Å; P248-T250 VanDerWaalsContact O-N 3.15Å
251W86.6Confident77.7Confident1 Ų150.1 Ų50.10%0.00428%0.276CS..G310 helixtrans-90.5-10.4179.3-67.130000112.9L185 K186 L189 F230 I247 P248 T249 T253 I254 F255L185-W251 HydrophobicContact CB-CZ2 4.04Å; L185-W251 HydrophobicContact CD2-CH2 3.73Å; L185-W251 HydrophobicContact CD2-CZ2 3.74Å; L185-W251 HydrophobicContact CG-CH2 3.69Å; L185-W251 HydrophobicContact CG-CZ2 3.64Å; K186-W251 HydrophobicContact CB-CZ2 4.24Å; K186-W251 HydrophobicContact CG-CG 4.34Å; L189-W251 HydrophobicContact CB-CH2 4.5Å; L189-W251 HydrophobicContact CD2-CD2 4.49Å; L189-W251 HydrophobicContact CD2-CE3 3.6Å; L189-W251 HydrophobicContact CD2-CH2 4.08Å; L189-W251 HydrophobicContact CD2-CZ3 3.38Å; F230-W251 AromaticContact CE1-CH2 3.87Å; F230-W251 HydrophobicContact CE1-CH2 3.87Å; F230-W251 HydrophobicContact CE1-CZ2 4.07Å; F230-W251 HydrophobicContact CE1-CZ3 4.21Å; F230-W251 AromaticContact CZ-CH2 3.87Å; F230-W251 HydrophobicContact CZ-CH2 3.87Å; F230-W251 AromaticContact CZ-CZ3 3.89Å; F230-W251 HydrophobicContact CZ-CZ3 3.89Å; I247-W251 HydrophobicContact CG2-CB 3.64Å; I247-W251 HydrophobicContact CG2-CD2 3.74Å; I247-W251 HydrophobicContact CG2-CE3 3.5Å; I247-W251 HydrophobicContact CG2-CG 3.82Å; I247-W251 HydrophobicContact CG2-CZ3 4.35Å; P248-W251 PolarHBondContact O-N 3.36Å; T249-W251 PolarHBondContact O-N 3.37Å; T249-W251 VanDerWaalsContact O-N 3.16Å; W251-T253 PolarHBondContact O-N 3.43Å; W251-I254 HydrophobicContact CB-CD1 4.49Å; W251-I254 WeakPolarHBondContact O-CB 3.26Å; W251-I254 PolarHBondContact O-N 3.48Å; W251-F255 HydrophobicContact CB-CD2 4.48Å; W251-F255 HydrophobicContact CB-CE2 4.06Å; W251-F255 HydrophobicContact CE3-CE2 4.22Å; W251-F255 WeakPolarHBondContact O-CD2 3.42Å
252R84.2Confident79.2Confident59 Ų5949.8 Ų49.822%0.22328%0.275CS..Hα-helixtrans-48.4-37.7-174-179.6176.4173.4167.1-24.2113.8T249 I254 F255 L256 L293 N295 E298T249-R252 WeakPolarHBondContact O-CB 3.33Å; T249-R252 PolarHBondContact O-N 3.41Å; T249-R252 VanDerWaalsContact O-N 3.12Å; R252-I254 VanDerWaalsContact C-N 3.32Å; R252-I254 PolarHBondContact O-N 2.88Å; R252-F255 PolarHBondContact O-N 3.07Å; R252-L256 HydrophobicContact CG-CD1 3.92Å; R252-L256 HydrophobicContact CG-CG 4.35Å; R252-L256 WeakPolarHBondContact O-CG 3.21Å; R252-L256 PolarHBondContact O-N 3.31Å; R252-L293 HydrophobicContact CB-CD1 4.07Å; R252-L293 HydrophobicContact CB-CG 4.26Å; R252-L293 VanDerWaalsContact CD-O 3.28Å; R252-L293 WeakPolarHBondContact CD-O 3.44Å; R252-L293 HydrophobicContact CG-CG 4.32Å; R252-L293 PolarHBondContact NE-O 3.3Å; R252-L293 PolarHBondContact NH1-O 3.04Å; R252-N295 PolarHBondContact NH1-OD1 2.85Å; R252-N295 VanDerWaalsContact NH1-OD1 3.16Å; R252-N295 PolarHBondContact NH2-ND2 3.15Å; R252-N295 PolarHBondContact NH2-OD1 3.44Å; R252-E298 IonicContact CZ-OE1 3.25Å; R252-E298 IonicContact CZ-OE2 2.76Å; R252-E298 IonicContact NE-OE2 3.58Å; R252-E298 PolarHBondContact NE-OE2 3.43Å; R252-E298 IonicContact NH2-OE1 2.7Å; R252-E298 PolarHBondContact NH2-OE1 3.13Å; R252-E298 IonicContact NH2-OE2 3.33Å; R252-E298 PolarHBondContact NH2-OE2 3.08Å
253T84.7Confident80.7Confident85 Ų8550 Ų5052%0.52128%0.275SS..Hα-helixtrans-60.3-38.7179.8560000112.8W251 F255 L256 E257W251-T253 PolarHBondContact O-N 3.43Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.12Å; T253-L256 PolarHBondContact O-N 2.89Å; T253-E257 PolarHBondContact O-N 3.36Å
254I84.2Confident82Confident14 Ų1446.2 Ų46.27%0.07225%0.25CS..Hα-helixtrans-63.3-37.5-178.6-57.2170.6000111K186 L189 V190 W251 R252 T260K186-I254 HydrophobicContact CG-CD1 4.19Å; L189-I254 HydrophobicContact CD2-CD1 4.37Å; V190-I254 HydrophobicContact CG2-CD1 3.68Å; V190-I254 HydrophobicContact CG2-CG1 4.31Å; W251-I254 HydrophobicContact CB-CD1 4.49Å; W251-I254 WeakPolarHBondContact O-CB 3.26Å; W251-I254 PolarHBondContact O-N 3.48Å; R252-I254 VanDerWaalsContact C-N 3.32Å; R252-I254 PolarHBondContact O-N 2.88Å; I254-T260 HydrophobicContact CG2-CG2 4.38Å; I254-T260 PolarHBondContact O-OG1 3.07Å
255F83.9Confident82.9Confident3 Ų344.1 Ų44.11%0.01324%0.237CC..Hα-helixtrans-80.4-23.8-178.5-67.3-97.1000113L226 I247 W251 R252 T253 F286 T289 L293 F294 Y302L226-F255 HydrophobicContact CD2-CZ 4.11Å; I247-F255 HydrophobicContact CD1-CE1 3.75Å; I247-F255 HydrophobicContact CD1-CE2 3.89Å; I247-F255 HydrophobicContact CD1-CZ 3.21Å; I247-F255 HydrophobicContact CG2-CE2 4.09Å; I247-F255 HydrophobicContact CG2-CZ 4.42Å; W251-F255 HydrophobicContact CB-CD2 4.48Å; W251-F255 HydrophobicContact CB-CE2 4.06Å; W251-F255 HydrophobicContact CE3-CE2 4.22Å; W251-F255 WeakPolarHBondContact O-CD2 3.42Å; R252-F255 PolarHBondContact O-N 3.07Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.12Å; F255-F286 AromaticContact CD1-CD1 3.64Å; F255-F286 HydrophobicContact CD1-CD1 3.64Å; F255-F286 AromaticContact CD1-CE1 3.97Å; F255-F286 HydrophobicContact CD1-CE1 3.97Å; F255-F286 AromaticContact CE1-CD1 3.3Å; F255-F286 HydrophobicContact CE1-CD1 3.3Å; F255-F286 AromaticContact CE1-CE1 3.51Å; F255-F286 HydrophobicContact CE1-CE1 3.51Å; F255-F286 HydrophobicContact CE1-CG 4.48Å; F255-F286 HydrophobicContact CZ-CD1 4.25Å; F255-F286 HydrophobicContact CZ-CE1 4.05Å; F255-T289 HydrophobicContact CD1-CG2 4.31Å; F255-T289 HydrophobicContact CE1-CG2 4.28Å; F255-T289 WeakPolarHBondContact CE1-OG1 3.33Å; F255-L293 HydrophobicContact CD2-CD2 4.46Å; F255-F294 HydrophobicContact CB-CE1 3.78Å; F255-F294 HydrophobicContact CB-CZ 3.81Å; F255-F294 HydrophobicContact CG-CZ 4.43Å; F255-Y302 HydrophobicContact CB-CE2 4.16Å; F255-Y302 HydrophobicContact CD1-CE2 4.49Å; F255-Y302 WeakPolarHBondContact O-CD2 3.44Å; F255-Y302 VanDerWaalsContact O-CE2 3.24Å; F255-Y302 WeakPolarHBondContact O-CE2 2.92Å
256L82.1Confident83.5Confident56 Ų5645.4 Ų45.429%0.29324%0.243SC..Hα-helixtrans-80.8-20178.4-70.2175.8000113R252 T253 P258 F294 E298R252-L256 HydrophobicContact CG-CD1 3.92Å; R252-L256 HydrophobicContact CG-CG 4.35Å; R252-L256 WeakPolarHBondContact O-CG 3.21Å; R252-L256 PolarHBondContact O-N 3.31Å; T253-L256 PolarHBondContact O-N 2.89Å; L256-P258 WeakPolarHBondContact O-CD 3.48Å; L256-F294 HydrophobicContact CD2-CD1 3.77Å; L256-F294 HydrophobicContact CD2-CE1 4.04Å; L256-F294 HydrophobicContact CG-CD1 4.4Å; L256-F294 HydrophobicContact CG-CE1 4.4Å; L256-E298 HydrophobicContact CD1-CG 4.46Å; L256-E298 HydrophobicContact CD2-CB 3.76Å; L256-E298 HydrophobicContact CD2-CG 3.93Å
257E82.4Confident84Confident92 Ų9241.6 Ų41.643%0.4323%0.226SC..  trans-67.4115.6174.4-75.4177-159.800110.2T253 E259 T260T253-E257 PolarHBondContact O-N 3.36Å; E257-E259 PolarHBondContact O-N 3.22Å; E257-T260 PolarHBondContact O-N 3.39Å; E257-T260 VanDerWaalsContact O-N 3.15Å
258P73.3Confident84.3Confident56 Ų5641.3 Ų41.336%0.36422%0.224SC..Hα-helixtrans-62.5-31.4-177.823.2-30.8000112.2L256 T260 L261 D262L256-P258 WeakPolarHBondContact O-CD 3.48Å; P258-T260 PolarHBondContact O-N 3.04Å; P258-L261 PolarHBondContact O-N 2.93Å; P258-D262 PolarHBondContact O-N 3.14Å
259E80.7Confident84.4Confident122 Ų12242.9 Ų42.957%0.5723%0.228SC*.Hα-helixtrans-58.4-29.5177.3-62.7-177.3-176.600113.6K197 E257 L263K197-E259 IonicContact NZ-OE2 2.84Å; K197-E259 PolarHBondContact NZ-OE2 2.99Å; E257-E259 PolarHBondContact O-N 3.22Å; E259-L263 VanDerWaalsContact O-CB 3.3Å; E259-L263 WeakPolarHBondContact O-CB 3.45Å; E259-L263 PolarHBondContact O-N 2.88Å
260T83.6Confident84.6Confident6 Ų639.9 Ų39.94%0.03721%0.213CC..Hα-helixtrans-67.9-49.5-176.7-550000110.9I254 E257 P258 L263 F264 F286I254-T260 HydrophobicContact CG2-CG2 4.38Å; I254-T260 PolarHBondContact O-OG1 3.07Å; E257-T260 PolarHBondContact O-N 3.39Å; E257-T260 VanDerWaalsContact O-N 3.15Å; P258-T260 PolarHBondContact O-N 3.04Å; T260-L263 WeakPolarHBondContact O-CB 3.17Å; T260-L263 PolarHBondContact O-N 3.29Å; T260-F264 HydrophobicContact CG2-CE2 4.33Å; T260-F264 WeakPolarHBondContact O-CD2 3.33Å; T260-F286 HydrophobicContact CG2-CE1 4.25Å; T260-F286 HydrophobicContact CG2-CZ 4.21Å
261L85.7Confident84.7Confident3 Ų336.8 Ų36.82%0.01619%0.192CC..Hα-helixtrans-68.1-42.1177.3-74.4178.5000111.4P258 L263 F264 F265 L283 F286 Y302 N305 L306P258-L261 PolarHBondContact O-N 2.93Å; L261-L263 PolarHBondContact O-N 3.25Å; L261-F264 PolarHBondContact O-N 2.84Å; L261-F265 HydrophobicContact CB-CD2 4.48Å; L261-F265 HydrophobicContact CB-CE2 4.38Å; L261-F265 WeakPolarHBondContact O-CD2 3.45Å; L261-F265 PolarHBondContact O-N 3.42Å; L261-F265 VanDerWaalsContact O-N 3.09Å; L261-L283 HydrophobicContact CD2-CD2 4.37Å; L261-F286 HydrophobicContact CD2-CB 3.93Å; L261-F286 HydrophobicContact CD2-CD1 4.35Å; L261-F286 HydrophobicContact CD2-CG 4.06Å; L261-Y302 HydrophobicContact CD1-CD2 3.9Å; L261-Y302 HydrophobicContact CD1-CE2 3.54Å; L261-Y302 HydrophobicContact CD2-CE2 4.39Å; L261-Y302 HydrophobicContact CG-CE2 4.1Å; L261-N305 HydrophobicContact CD1-CB 3.98Å; L261-L306 HydrophobicContact CD1-CD2 4Å; L261-L306 HydrophobicContact CD1-CG 4.27Å; L261-L306 HydrophobicContact CD2-CD2 4Å
262D87.4Confident84.5Confident67 Ų6738.6 Ų38.636%0.35820%0.204SC..Hα-helixtrans-60-35.8179.2-73.9-27.3000111.6P258 F265 N266P258-D262 PolarHBondContact O-N 3.14Å; D262-F265 PolarHBondContact O-N 3.4Å; D262-N266 VanDerWaalsContact O-CB 3.31Å; D262-N266 WeakPolarHBondContact O-CB 3.44Å; D262-N266 PolarHBondContact O-N 3.06Å; D262-N266 PolarHBondContact O-ND2 3.46Å
263L88.4Confident84.2Confident12 Ų1239 Ų396%0.06322%0.215CC..Hα-helixtrans-56.1-52.2173.8177.766.5000111.8L196 K197 L200 E259 T260 L261 N266 L267L196-L263 HydrophobicContact CB-CD2 4.03Å; K197-L263 HydrophobicContact CG-CD1 4.23Å; K197-L263 HydrophobicContact CG-CD2 3.81Å; L200-L263 HydrophobicContact CB-CD1 4.39Å; L200-L263 HydrophobicContact CD1-CD1 4.24Å; L200-L263 HydrophobicContact CD2-CD1 4.48Å; E259-L263 VanDerWaalsContact O-CB 3.3Å; E259-L263 WeakPolarHBondContact O-CB 3.45Å; E259-L263 PolarHBondContact O-N 2.88Å; T260-L263 WeakPolarHBondContact O-CB 3.17Å; T260-L263 PolarHBondContact O-N 3.29Å; L261-L263 PolarHBondContact O-N 3.25Å; L263-N266 PolarHBondContact O-N 3.08Å; L263-L267 HydrophobicContact CD1-CD1 4.22Å; L263-L267 HydrophobicContact CD1-CG 4.43Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.22Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 2.98Å
264F89.6Confident83.9Confident0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-69.8-36.1-177.6-69.4-80.5000112.7L196 L219 V222 T260 L261 L267 Y268 C282 L283 F286L196-F264 HydrophobicContact CD1-CE1 3.92Å; L196-F264 HydrophobicContact CD1-CZ 4.06Å; L219-F264 HydrophobicContact CD2-CD1 4.32Å; L219-F264 HydrophobicContact CD2-CE1 4.02Å; V222-F264 HydrophobicContact CG1-CE1 4.08Å; V222-F264 HydrophobicContact CG1-CZ 3.79Å; V222-F264 HydrophobicContact CG2-CZ 4.4Å; T260-F264 HydrophobicContact CG2-CE2 4.33Å; T260-F264 WeakPolarHBondContact O-CD2 3.33Å; L261-F264 PolarHBondContact O-N 2.84Å; F264-L267 HydrophobicContact CD1-CD1 4.23Å; F264-L267 PolarHBondContact O-N 3.38Å; F264-Y268 PolarHBondContact O-N 2.87Å; F264-C282 HydrophobicContact CD1-CB 3.89Å; F264-C282 HydrophobicContact CE1-CB 3.91Å; F264-L283 HydrophobicContact CB-CD1 4.3Å; F264-L283 HydrophobicContact CB-CD2 3.71Å; F264-L283 HydrophobicContact CB-CG 3.83Å; F264-F286 HydrophobicContact CD2-CD2 4.22Å; F264-F286 AromaticContact CD2-CE2 3.52Å; F264-F286 HydrophobicContact CD2-CE2 3.52Å; F264-F286 HydrophobicContact CD2-CZ 4.13Å; F264-F286 HydrophobicContact CE1-CE2 4.43Å; F264-F286 HydrophobicContact CE2-CD2 4.45Å; F264-F286 AromaticContact CE2-CE2 3.36Å; F264-F286 HydrophobicContact CE2-CE2 3.36Å; F264-F286 AromaticContact CE2-CZ 3.64Å; F264-F286 HydrophobicContact CE2-CZ 3.64Å; F264-F286 HydrophobicContact CG-CE2 4.19Å; F264-F286 AromaticContact CZ-CE2 3.87Å; F264-F286 HydrophobicContact CZ-CE2 3.87Å; F264-F286 HydrophobicContact CZ-CZ 4.24Å
265F89.3Confident84Confident3 Ų340.2 Ų40.21%0.01322%0.217CC..Hα-helixtrans-64.5-39.5171.8-74.6-62.6000111.8L261 D262 Y268 H269 L283 I313 F332L261-F265 HydrophobicContact CB-CD2 4.48Å; L261-F265 HydrophobicContact CB-CE2 4.38Å; L261-F265 WeakPolarHBondContact O-CD2 3.45Å; L261-F265 PolarHBondContact O-N 3.42Å; L261-F265 VanDerWaalsContact O-N 3.09Å; D262-F265 PolarHBondContact O-N 3.4Å; F265-Y268 PolarHBondContact O-N 3.19Å; F265-H269 PolarHBondContact O-N 3.22Å; F265-H269 PolarHBondContact O-ND1 3.31Å; F265-L283 HydrophobicContact CD1-CD1 3.72Å; F265-L283 HydrophobicContact CD1-CD2 4.37Å; F265-L283 HydrophobicContact CD2-CD2 4.21Å; F265-L283 HydrophobicContact CE1-CD1 3.69Å; F265-L283 HydrophobicContact CE1-CD2 4.07Å; F265-L283 HydrophobicContact CE1-CG 4.49Å; F265-L283 HydrophobicContact CE2-CD2 3.9Å; F265-L283 HydrophobicContact CG-CD1 4.34Å; F265-L283 HydrophobicContact CG-CD2 4.42Å; F265-L283 HydrophobicContact CZ-CD1 4.28Å; F265-L283 HydrophobicContact CZ-CD2 3.8Å; F265-I313 HydrophobicContact CD1-CD1 4.01Å; F265-I313 HydrophobicContact CE1-CD1 3.88Å; F265-F332 HydrophobicContact CE1-CE1 4.42Å; F265-F332 HydrophobicContact CE1-CZ 4.38Å; F265-F332 HydrophobicContact CZ-CE1 4.44Å; F265-F332 AromaticContact CZ-CZ 4Å; F265-F332 HydrophobicContact CZ-CZ 4Å
266N87.4Confident84.1Confident50 Ų5040.2 Ų40.227%0.26722%0.218SC..Hα-helixtrans-68.8-37.9176.4-70.3-29.4000112.1D262 L263 H269 S270 R312D262-N266 VanDerWaalsContact O-CB 3.31Å; D262-N266 WeakPolarHBondContact O-CB 3.44Å; D262-N266 PolarHBondContact O-N 3.06Å; D262-N266 PolarHBondContact O-ND2 3.46Å; L263-N266 PolarHBondContact O-N 3.08Å; N266-H269 PolarHBondContact O-N 3.28Å; N266-S270 WeakPolarHBondContact O-CB 3.26Å; N266-S270 PolarHBondContact O-N 3.46Å; N266-S270 VanDerWaalsContact O-N 3.14Å; N266-S270 PolarHBondContact O-OG 3.18Å; N266-R312 PolarHBondContact OD1-NH1 3.42Å; N266-R312 PolarHBondContact OD1-NH2 2.99Å
267L86.1Confident84.5Confident3 Ų340.5 Ų40.52%0.01622%0.218CC..Hα-helixtrans-60-45.6174.3-75.5167000110.6L196 L200 L219 L263 F264 H269 S270 L271 A279L196-L267 HydrophobicContact CB-CD1 4.46Å; L196-L267 HydrophobicContact CD1-CD1 4.18Å; L196-L267 HydrophobicContact CD2-CD1 4.37Å; L200-L267 HydrophobicContact CD1-CD2 3.38Å; L200-L267 HydrophobicContact CD1-CG 3.73Å; L219-L267 HydrophobicContact CD2-CD1 4.41Å; L263-L267 HydrophobicContact CD1-CD1 4.22Å; L263-L267 HydrophobicContact CD1-CG 4.43Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.22Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 2.98Å; F264-L267 HydrophobicContact CD1-CD1 4.23Å; F264-L267 PolarHBondContact O-N 3.38Å; L267-H269 VanDerWaalsContact C-N 3.32Å; L267-H269 PolarHBondContact O-N 2.96Å; L267-S270 PolarHBondContact O-N 3.45Å; L267-S270 VanDerWaalsContact O-N 3.16Å; L267-L271 HydrophobicContact CB-CD1 3.87Å; L267-L271 HydrophobicContact CD2-CD1 3.88Å; L267-L271 HydrophobicContact CD2-CG 4.41Å; L267-L271 HydrophobicContact CG-CD1 4.46Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.48Å; L267-L271 WeakPolarHBondContact O-CD1 3.38Å; L267-L271 WeakPolarHBondContact O-CG 3.43Å; L267-L271 PolarHBondContact O-N 3.41Å; L267-A279 HydrophobicContact CB-CB 4.31Å
268Y86.9Confident84.8Confident10 Ų1037.5 Ų37.54%0.03920%0.204CC..Hα-helixtrans-55.2-44.4177170.3-103.1000112.9F264 F265 S270 L280 I313F264-Y268 PolarHBondContact O-N 2.87Å; F265-Y268 PolarHBondContact O-N 3.19Å; Y268-S270 VanDerWaalsContact C-N 3.34Å; Y268-S270 PolarHBondContact O-N 2.95Å; Y268-L280 HydrophobicContact CD2-CD1 3.73Å; Y268-L280 HydrophobicContact CD2-CD2 4Å; Y268-L280 HydrophobicContact CD2-CG 3.52Å; Y268-L280 HydrophobicContact CE2-CD1 3.36Å; Y268-L280 HydrophobicContact CE2-CD2 4.19Å; Y268-L280 HydrophobicContact CE2-CG 3.73Å; Y268-L280 HydrophobicContact CG-CD2 4.4Å; Y268-L280 HydrophobicContact CG-CG 4.34Å; Y268-I313 HydrophobicContact CD1-CD1 4.24Å; Y268-I313 HydrophobicContact CD1-CG1 3.97Å; Y268-I313 HydrophobicContact CE1-CB 4.41Å; Y268-I313 HydrophobicContact CE1-CD1 4.25Å; Y268-I313 HydrophobicContact CE1-CG1 3.79Å; Y268-I313 HydrophobicContact CE1-CG2 3.98Å
269H85Confident85.6Confident57 Ų5734.8 Ų34.826%0.26419%0.187SC..Hα-helixtrans-75.9-20.4-178.5-67.188.3000114F265 N266 L267F265-H269 PolarHBondContact O-N 3.22Å; F265-H269 PolarHBondContact O-ND1 3.31Å; N266-H269 PolarHBondContact O-N 3.28Å; L267-H269 VanDerWaalsContact C-N 3.32Å; L267-H269 PolarHBondContact O-N 2.96Å
270S83.3Confident86Confident55 Ų5529 Ų2939%0.38516%0.16SC..Hα-helixtrans-101.5-16.5-172.8-50.50000113.3N266 L267 Y268N266-S270 WeakPolarHBondContact O-CB 3.26Å; N266-S270 PolarHBondContact O-N 3.46Å; N266-S270 VanDerWaalsContact O-N 3.14Å; N266-S270 PolarHBondContact O-OG 3.18Å; L267-S270 PolarHBondContact O-N 3.45Å; L267-S270 VanDerWaalsContact O-N 3.16Å; Y268-S270 VanDerWaalsContact C-N 3.34Å; Y268-S270 PolarHBondContact O-N 2.95Å
271L83.4Confident86.3Confident18 Ų1829.2 Ų29.29%0.09416%0.162CC..SBendtrans-101.6154.1-171.1-67.9174.3000112.7L204 V215 L219 L267 L275L204-L271 HydrophobicContact CD1-CD2 4.48Å; V215-L271 HydrophobicContact CG1-CD1 3.99Å; V215-L271 HydrophobicContact CG1-CD2 4.15Å; L219-L271 HydrophobicContact CD1-CD1 4.19Å; L267-L271 HydrophobicContact CB-CD1 3.87Å; L267-L271 HydrophobicContact CD2-CD1 3.88Å; L267-L271 HydrophobicContact CD2-CG 4.41Å; L267-L271 HydrophobicContact CG-CD1 4.46Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.48Å; L267-L271 WeakPolarHBondContact O-CD1 3.38Å; L267-L271 WeakPolarHBondContact O-CG 3.43Å; L267-L271 PolarHBondContact O-N 3.41Å; L271-L275 HydrophobicContact CB-CB 3.94Å; L271-L275 HydrophobicContact CD1-CB 4.04Å; L271-L275 HydrophobicContact CD2-CD1 4.2Å; L271-L275 HydrophobicContact CG-CB 4.4Å
272P82.8Confident86.6Confident39 Ų3929.1 Ų29.125%0.25316%0.161SC..  trans-64.3161.8171.4-19.131.9000113.1L206 L274 L275 S276L206-P272 HydrophobicContact CD2-CG 4.2Å; P272-L274 PolarHBondContact O-N 2.96Å; P272-L274 VanDerWaalsContact O-N 3.15Å; P272-L275 PolarHBondContact O-N 2.73Å; P272-S276 PolarHBondContact O-N 2.66Å; P272-S276 PolarHBondContact O-OG 3.04Å
273P77.8Confident86.8Confident68 Ų6825.9 Ų25.944%0.44214%0.144SC..Hα-helixtrans-49-45.6-172.3-30.435.5000115.9L275 S276 Q277 D322P273-L275 VanDerWaalsContact C-N 3.3Å; P273-L275 PolarHBondContact O-N 3.28Å; P273-S276 VanDerWaalsContact CA-OG 3.22Å; P273-S276 WeakPolarHBondContact CA-OG 3.5Å; P273-S276 PolarHBondContact O-N 3.49Å; P273-S276 PolarHBondContact O-OG 2.91Å; P273-Q277 WeakPolarHBondContact O-CB 3.39Å; P273-Q277 PolarHBondContact O-N 2.98Å; P273-D322 HydrophobicContact CB-CB 4.2Å
274L79.6Confident86.9Confident117 Ų11725.3 Ų25.361%0.61314%0.141SC*.Hα-helixtrans-62.5-37.2-179.9-174.971000112.7M216 P272M216-L274 HydrophobicContact SD-CD2 4.49Å; P272-L274 PolarHBondContact O-N 2.96Å; P272-L274 VanDerWaalsContact O-N 3.15Å
275L84.6Confident86.8Confident7 Ų726.1 Ų26.14%0.03715%0.145CC..Hα-helixtrans-86.1-33.8-178.5-60.8-177.5000111.3Q212 V215 M216 L271 P272 P273 Q277 L278 A279Q212-L275 HydrophobicContact CB-CD1 4.25Å; Q212-L275 HydrophobicContact CG-CD1 4.37Å; V215-L275 HydrophobicContact CB-CD1 4.47Å; V215-L275 HydrophobicContact CG1-CD1 4.32Å; M216-L275 HydrophobicContact CB-CD2 3.54Å; M216-L275 HydrophobicContact CG-CD2 3.98Å; L271-L275 HydrophobicContact CB-CB 3.94Å; L271-L275 HydrophobicContact CD1-CB 4.04Å; L271-L275 HydrophobicContact CD2-CD1 4.2Å; L271-L275 HydrophobicContact CG-CB 4.4Å; P272-L275 PolarHBondContact O-N 2.73Å; P273-L275 VanDerWaalsContact C-N 3.3Å; P273-L275 PolarHBondContact O-N 3.28Å; L275-Q277 VanDerWaalsContact C-N 3.26Å; L275-Q277 PolarHBondContact O-N 3.08Å; L275-L278 PolarHBondContact O-N 3.39Å; L275-A279 PolarHBondContact O-N 3.46Å; L275-A279 VanDerWaalsContact O-N 3.1Å
276S87.2Confident86.8Confident4 Ų426 Ų263%0.02814%0.144CC..Hα-helixtrans-64.6-33.3174.267.20000111.6P272 P273 A279 L280 N325P272-S276 PolarHBondContact O-N 2.66Å; P272-S276 PolarHBondContact O-OG 3.04Å; P273-S276 VanDerWaalsContact CA-OG 3.22Å; P273-S276 WeakPolarHBondContact CA-OG 3.5Å; P273-S276 PolarHBondContact O-N 3.49Å; P273-S276 PolarHBondContact O-OG 2.91Å; S276-A279 PolarHBondContact O-N 3.4Å; S276-L280 PolarHBondContact O-N 2.84Å; S276-N325 VanDerWaalsContact C-OD1 3.28Å; S276-N325 VanDerWaalsContact OG-CG 3.27Å; S276-N325 PolarHBondContact OG-ND2 3.23Å; S276-N325 PolarHBondContact OG-OD1 3.25Å
277Q89.9Confident86.8Confident62 Ų6223.7 Ų23.729%0.2913%0.132SC..Hα-helixtrans-61.2-47.5175.1-178.3-174.9-8.700110.7P273 L275 A279 L280 S281 N325 E328P273-Q277 WeakPolarHBondContact O-CB 3.39Å; P273-Q277 PolarHBondContact O-N 2.98Å; L275-Q277 VanDerWaalsContact C-N 3.26Å; L275-Q277 PolarHBondContact O-N 3.08Å; Q277-A279 VanDerWaalsContact C-N 3.32Å; Q277-A279 PolarHBondContact O-N 2.84Å; Q277-L280 WeakPolarHBondContact O-CB 3.34Å; Q277-L280 PolarHBondContact O-N 3.23Å; Q277-S281 PolarHBondContact O-N 3.42Å; Q277-S281 PolarHBondContact O-OG 3.5Å; Q277-N325 WeakPolarHBondContact CA-OD1 3.37Å; Q277-N325 PolarHBondContact N-OD1 2.66Å; Q277-E328 HydrophobicContact CG-CG 3.98Å
278L87.9Confident86.9Confident28 Ų2823.6 Ų23.615%0.14713%0.131CC..Hα-helixtrans-63.9-37.2177.3-68.5172.6000112.2M216 L219 K220 L223 L275 L280 S281 C282M216-L278 HydrophobicContact CG-CD1 3.83Å; L219-L278 HydrophobicContact CB-CB 3.99Å; L219-L278 HydrophobicContact CB-CD1 4.42Å; L219-L278 HydrophobicContact CD1-CB 4.05Å; K220-L278 HydrophobicContact CG-CD1 4.18Å; K220-L278 HydrophobicContact CG-CD2 4.4Å; L223-L278 HydrophobicContact CD2-CD2 4.46Å; L275-L278 PolarHBondContact O-N 3.39Å; L278-L280 VanDerWaalsContact C-N 3.34Å; L278-S281 PolarHBondContact O-N 3.04Å; L278-C282 PolarHBondContact O-N 2.99Å; L278-C282 PolarHBondContact O-SG 3.16Å; L278-C282 VanDerWaalsContact O-SG 3.41Å
279A90.4Very high86.8Confident0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-63.4-40.1174.200000111.8L219 L267 L275 S276 Q277 C282 L283L219-A279 HydrophobicContact CD1-CB 4.48Å; L219-A279 HydrophobicContact CD2-CB 4.44Å; L267-A279 HydrophobicContact CB-CB 4.31Å; L275-A279 PolarHBondContact O-N 3.46Å; L275-A279 VanDerWaalsContact O-N 3.1Å; S276-A279 PolarHBondContact O-N 3.4Å; Q277-A279 VanDerWaalsContact C-N 3.32Å; Q277-A279 PolarHBondContact O-N 2.84Å; A279-C282 WeakPolarHBondContact O-CB 3.45Å; A279-C282 PolarHBondContact O-N 2.94Å; A279-L283 PolarHBondContact O-N 3.37Å; A279-L283 VanDerWaalsContact O-N 3.12Å
280L90.3Very high86.7Confident0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-64.9-42.6172.3-79.1174.2000112.1Y268 S276 Q277 L278 C282 L283 V284 I313 N325 E328 F329Y268-L280 HydrophobicContact CD2-CD1 3.73Å; Y268-L280 HydrophobicContact CD2-CD2 4Å; Y268-L280 HydrophobicContact CD2-CG 3.52Å; Y268-L280 HydrophobicContact CE2-CD1 3.36Å; Y268-L280 HydrophobicContact CE2-CD2 4.19Å; Y268-L280 HydrophobicContact CE2-CG 3.73Å; Y268-L280 HydrophobicContact CG-CD2 4.4Å; Y268-L280 HydrophobicContact CG-CG 4.34Å; S276-L280 PolarHBondContact O-N 2.84Å; Q277-L280 WeakPolarHBondContact O-CB 3.34Å; Q277-L280 PolarHBondContact O-N 3.23Å; L278-L280 VanDerWaalsContact C-N 3.34Å; L280-C282 VanDerWaalsContact C-N 3.26Å; L280-C282 PolarHBondContact O-N 3.39Å; L280-L283 HydrophobicContact CD2-CD1 4.12Å; L280-L283 CarbonylContact O-C 3.47Å; L280-L283 WeakPolarHBondContact O-CA 3.37Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 2.83Å; L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 2.85Å; L280-I313 HydrophobicContact CD2-CD1 4.03Å; L280-N325 HydrophobicContact CD1-CB 3.98Å; L280-N325 WeakPolarHBondContact CD1-O 3.39Å; L280-E328 HydrophobicContact CB-CB 3.84Å; L280-E328 HydrophobicContact CD1-CB 4.46Å; L280-F329 HydrophobicContact CD1-CB 4.43Å
281S90.1Very high86.6Confident11 Ų1125.4 Ų25.48%0.07713%0.128CC..Hα-helixtrans-58.3-39175.5-63.20000112.4Q277 L278 V284 Q285 E328Q277-S281 PolarHBondContact O-N 3.42Å; Q277-S281 PolarHBondContact O-OG 3.5Å; L278-S281 PolarHBondContact O-N 3.04Å; S281-V284 WeakPolarHBondContact O-CB 3.36Å; S281-V284 PolarHBondContact O-N 3.22Å; S281-Q285 PolarHBondContact O-N 3.21Å; S281-E328 VanDerWaalsContact CA-OE2 3.29Å; S281-E328 WeakPolarHBondContact CA-OE2 3.46Å; S281-E328 WeakPolarHBondContact CB-OE2 3.38Å; S281-E328 WeakPolarHBondContact OG-CG 3.43Å; S281-E328 PolarHBondContact OG-OE2 2.97Å
282C91.1Very high86.6Confident0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-61.5-45171-68.30000111.4V222 F264 L278 A279 L280 V284 Q285 F286V222-C282 HydrophobicContact CG1-CB 4.42Å; F264-C282 HydrophobicContact CD1-CB 3.89Å; F264-C282 HydrophobicContact CE1-CB 3.91Å; L278-C282 PolarHBondContact O-N 2.99Å; L278-C282 PolarHBondContact O-SG 3.16Å; L278-C282 VanDerWaalsContact O-SG 3.41Å; A279-C282 WeakPolarHBondContact O-CB 3.45Å; A279-C282 PolarHBondContact O-N 2.94Å; L280-C282 VanDerWaalsContact C-N 3.26Å; L280-C282 PolarHBondContact O-N 3.39Å; C282-V284 VanDerWaalsContact C-N 3.33Å; C282-V284 PolarHBondContact O-N 3.41Å; C282-Q285 PolarHBondContact O-N 2.86Å; C282-Q285 VanDerWaalsContact O-N 3.11Å; C282-F286 HydrophobicContact CB-CE2 4.35Å; C282-F286 WeakPolarHBondContact O-CD2 3.44Å; C282-F286 PolarHBondContact O-N 3.26Å
283L91.3Very high86.5Confident0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-61.2-36.8176.4-73167.1000113L261 F264 F265 A279 L280 Q285 F286 A287 F332L261-L283 HydrophobicContact CD2-CD2 4.37Å; F264-L283 HydrophobicContact CB-CD1 4.3Å; F264-L283 HydrophobicContact CB-CD2 3.71Å; F264-L283 HydrophobicContact CB-CG 3.83Å; F265-L283 HydrophobicContact CD1-CD1 3.72Å; F265-L283 HydrophobicContact CD1-CD2 4.37Å; F265-L283 HydrophobicContact CD2-CD2 4.21Å; F265-L283 HydrophobicContact CE1-CD1 3.69Å; F265-L283 HydrophobicContact CE1-CD2 4.07Å; F265-L283 HydrophobicContact CE1-CG 4.49Å; F265-L283 HydrophobicContact CE2-CD2 3.9Å; F265-L283 HydrophobicContact CG-CD1 4.34Å; F265-L283 HydrophobicContact CG-CD2 4.42Å; F265-L283 HydrophobicContact CZ-CD1 4.28Å; F265-L283 HydrophobicContact CZ-CD2 3.8Å; A279-L283 PolarHBondContact O-N 3.37Å; A279-L283 VanDerWaalsContact O-N 3.12Å; L280-L283 HydrophobicContact CD2-CD1 4.12Å; L280-L283 CarbonylContact O-C 3.47Å; L280-L283 WeakPolarHBondContact O-CA 3.37Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 2.83Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 PolarHBondContact O-N 3.38Å; L283-F286 PolarHBondContact O-N 3.41Å; L283-A287 PolarHBondContact O-N 2.99Å; L283-F332 HydrophobicContact CB-CD2 4.42Å; L283-F332 HydrophobicContact CB-CE2 4.26Å; L283-F332 WeakPolarHBondContact O-CE2 3.38Å
284V90.3Very high86.8Confident0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-57.5-44172.5175.70000110.6L280 S281 C282 A287 S288 E328 R331 F332 R335L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 2.85Å; S281-V284 WeakPolarHBondContact O-CB 3.36Å; S281-V284 PolarHBondContact O-N 3.22Å; C282-V284 VanDerWaalsContact C-N 3.33Å; C282-V284 PolarHBondContact O-N 3.41Å; V284-A287 PolarHBondContact O-N 3.48Å; V284-S288 WeakPolarHBondContact O-CB 3.31Å; V284-S288 PolarHBondContact O-N 2.95Å; V284-S288 PolarHBondContact O-OG 3.44Å; V284-E328 VanDerWaalsContact CG2-O 3.25Å; V284-E328 WeakPolarHBondContact CG2-O 3.39Å; V284-R331 HydrophobicContact CG1-CB 4.17Å; V284-R331 HydrophobicContact CG2-CB 4.12Å; V284-F332 HydrophobicContact CG2-CB 3.8Å; V284-R335 HydrophobicContact CG1-CG 3.99Å
285Q88.3Confident87Confident17 Ų1723 Ų238%0.07912%0.115CC..Hα-helixtrans-69.8-39.6177.3-61.6-52.6-31.600112.3L223 L226 N227 S281 C282 L283 A287 S288 T289L223-Q285 HydrophobicContact CD1-CG 3.94Å; L226-Q285 HydrophobicContact CB-CB 3.75Å; L226-Q285 HydrophobicContact CB-CG 4.12Å; L226-Q285 HydrophobicContact CD1-CB 3.93Å; L226-Q285 HydrophobicContact CG-CB 4.41Å; N227-Q285 VanDerWaalsContact OD1-CG 3.25Å; N227-Q285 WeakPolarHBondContact OD1-CG 3.36Å; N227-Q285 PolarHBondContact OD1-NE2 2.98Å; N227-Q285 PolarHBondContact OD1-OE1 3.42Å; S281-Q285 PolarHBondContact O-N 3.21Å; C282-Q285 PolarHBondContact O-N 2.86Å; C282-Q285 VanDerWaalsContact O-N 3.11Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 PolarHBondContact O-N 3.38Å; Q285-A287 VanDerWaalsContact C-N 3.29Å; Q285-A287 PolarHBondContact O-N 3.36Å; Q285-S288 WeakPolarHBondContact O-CA 3.38Å; Q285-S288 WeakPolarHBondContact O-CB 3.32Å; Q285-S288 PolarHBondContact O-N 2.85Å; Q285-T289 PolarHBondContact O-N 3.11Å; Q285-T289 PolarHBondContact O-OG1 3.19Å
286F88.9Confident86.8Confident1 Ų126.4 Ų26.40%0.00414%0.14CC..Hα-helixtrans-59.2-37.7172.7-77.8-68.3000112.9L226 F255 T260 L261 F264 C282 L283 S288 T289 Y302L226-F286 HydrophobicContact CD1-CD2 4.12Å; L226-F286 HydrophobicContact CD1-CE1 4.44Å; L226-F286 HydrophobicContact CD1-CE2 3.74Å; L226-F286 HydrophobicContact CD1-CZ 3.9Å; L226-F286 HydrophobicContact CD2-CE1 4.41Å; L226-F286 HydrophobicContact CD2-CZ 4.48Å; F255-F286 AromaticContact CD1-CD1 3.64Å; F255-F286 HydrophobicContact CD1-CD1 3.64Å; F255-F286 AromaticContact CD1-CE1 3.97Å; F255-F286 HydrophobicContact CD1-CE1 3.97Å; F255-F286 AromaticContact CE1-CD1 3.3Å; F255-F286 HydrophobicContact CE1-CD1 3.3Å; F255-F286 AromaticContact CE1-CE1 3.51Å; F255-F286 HydrophobicContact CE1-CE1 3.51Å; F255-F286 HydrophobicContact CE1-CG 4.48Å; F255-F286 HydrophobicContact CZ-CD1 4.25Å; F255-F286 HydrophobicContact CZ-CE1 4.05Å; T260-F286 HydrophobicContact CG2-CE1 4.25Å; T260-F286 HydrophobicContact CG2-CZ 4.21Å; L261-F286 HydrophobicContact CD2-CB 3.93Å; L261-F286 HydrophobicContact CD2-CD1 4.35Å; L261-F286 HydrophobicContact CD2-CG 4.06Å; F264-F286 HydrophobicContact CD2-CD2 4.22Å; F264-F286 AromaticContact CD2-CE2 3.52Å; F264-F286 HydrophobicContact CD2-CE2 3.52Å; F264-F286 HydrophobicContact CD2-CZ 4.13Å; F264-F286 HydrophobicContact CE1-CE2 4.43Å; F264-F286 HydrophobicContact CE2-CD2 4.45Å; F264-F286 AromaticContact CE2-CE2 3.36Å; F264-F286 HydrophobicContact CE2-CE2 3.36Å; F264-F286 AromaticContact CE2-CZ 3.64Å; F264-F286 HydrophobicContact CE2-CZ 3.64Å; F264-F286 HydrophobicContact CG-CE2 4.19Å; F264-F286 AromaticContact CZ-CE2 3.87Å; F264-F286 HydrophobicContact CZ-CE2 3.87Å; F264-F286 HydrophobicContact CZ-CZ 4.24Å; C282-F286 HydrophobicContact CB-CE2 4.35Å; C282-F286 WeakPolarHBondContact O-CD2 3.44Å; C282-F286 PolarHBondContact O-N 3.26Å; L283-F286 PolarHBondContact O-N 3.41Å; F286-S288 VanDerWaalsContact C-N 3.32Å; F286-T289 PolarHBondContact O-OG1 3.26Å; F286-Y302 PolarHBondContact O-OH 3.04Å
287A87.6Confident86.6Confident0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-72.7-24.117300000113.4L283 V284 Q285 T289 L306 F332 R335 L336 N339L283-A287 PolarHBondContact O-N 2.99Å; V284-A287 PolarHBondContact O-N 3.48Å; Q285-A287 VanDerWaalsContact C-N 3.29Å; Q285-A287 PolarHBondContact O-N 3.36Å; A287-T289 VanDerWaalsContact C-N 3.32Å; A287-L306 HydrophobicContact CB-CD1 4.49Å; A287-F332 HydrophobicContact CB-CD2 3.66Å; A287-F332 HydrophobicContact CB-CE2 3.52Å; A287-R335 HydrophobicContact CB-CB 4.11Å; A287-L336 HydrophobicContact CB-CD2 4.37Å; A287-N339 PolarHBondContact O-ND2 2.95Å
288S87.5Confident86.4Confident1 Ų130.5 Ų30.51%0.00717%0.167CC..Hα-helixtrans-80.7-10.2180-60.60000113.6T244 V245 V284 Q285 F286 R290 R335T244-S288 CarbonylContact C-O 3.58Å; T244-S288 WeakPolarHBondContact CA-O 3.39Å; V245-S288 PolarHBondContact N-O 3.44Å; V284-S288 WeakPolarHBondContact O-CB 3.31Å; V284-S288 PolarHBondContact O-N 2.95Å; V284-S288 PolarHBondContact O-OG 3.44Å; Q285-S288 WeakPolarHBondContact O-CA 3.38Å; Q285-S288 WeakPolarHBondContact O-CB 3.32Å; Q285-S288 PolarHBondContact O-N 2.85Å; F286-S288 VanDerWaalsContact C-N 3.32Å; S288-R290 PolarHBondContact O-N 3.2Å; S288-R335 WeakPolarHBondContact OG-CG 3.43Å; S288-R335 PolarHBondContact OG-NH1 3.42Å
289T86.1Confident86.3Confident1 Ų131.2 Ų31.21%0.00617%0.168CC..BIsolated β-bridgetrans-59.8115.1178.3-58.10000112.1I247 F255 Q285 F286 A287 R291 L293 F294 N339I247-T289 HydrophobicContact CD1-CG2 3.83Å; I247-T289 WeakPolarHBondContact CD1-OG1 3.38Å; I247-T289 HydrophobicContact CG1-CG2 4.26Å; F255-T289 HydrophobicContact CD1-CG2 4.31Å; F255-T289 HydrophobicContact CE1-CG2 4.28Å; F255-T289 WeakPolarHBondContact CE1-OG1 3.33Å; Q285-T289 PolarHBondContact O-N 3.11Å; Q285-T289 PolarHBondContact O-OG1 3.19Å; F286-T289 PolarHBondContact O-OG1 3.26Å; A287-T289 VanDerWaalsContact C-N 3.32Å; T289-R291 PolarHBondContact O-N 2.89Å; T289-L293 HydrophobicContact CG2-CD2 3.51Å; T289-F294 HydrophobicContact CG2-CE2 4.24Å; T289-F294 HydrophobicContact CG2-CZ 4.29Å; T289-N339 PolarHBondContact O-ND2 3.28Å
290R82.3Confident86.1Confident105 Ų10534.2 Ų34.240%0.39619%0.193SC..  trans-50.1129-173-168.3178.4179.6-175.51.6113.3V245 S288 S292 L293V245-R290 PolarHBondContact O-N 2.98Å; S288-R290 PolarHBondContact O-N 3.2Å; R290-S292 VanDerWaalsContact CD-OG 3.26Å; R290-S292 WeakPolarHBondContact CD-OG 3.44Å; R290-S292 WeakPolarHBondContact CG-OG 3.48Å; R290-S292 PolarHBondContact NE-OG 3.25Å; R290-S292 PolarHBondContact O-N 2.86Å; R290-L293 WeakPolarHBondContact O-CB 3.35Å; R290-L293 PolarHBondContact O-N 3.47Å
291R81.6Confident85.9Confident55 Ų5540.5 Ų40.521%0.20822%0.22CC..G310 helixtrans-50.8-24.9178.663.3174.7-88.5153.8-4.8116.2T289 L293 F294 N339 Y340 E344T289-R291 PolarHBondContact O-N 2.89Å; R291-L293 PolarHBondContact O-N 2.96Å; R291-F294 PolarHBondContact O-N 3.15Å; R291-N339 VanDerWaalsContact CD-O 3.28Å; R291-N339 WeakPolarHBondContact CD-O 3.34Å; R291-N339 PolarHBondContact N-OD1 3.05Å; R291-Y340 HydrophobicContact CB-CD1 4.49Å; R291-Y340 HydrophobicContact CB-CE1 4.36Å; R291-E344 IonicContact CZ-OE1 3.67Å; R291-E344 IonicContact CZ-OE2 2.85Å; R291-E344 VanDerWaalsContact NH1-CD 3.3Å; R291-E344 IonicContact NH1-OE1 3.85Å; R291-E344 PolarHBondContact NH1-OE1 3.17Å; R291-E344 VanDerWaalsContact NH1-OE1 3.12Å; R291-E344 IonicContact NH1-OE2 3.46Å; R291-E344 PolarHBondContact NH1-OE2 3.08Å; R291-E344 IonicContact NH2-OE1 3.63Å; R291-E344 PolarHBondContact NH2-OE1 3.2Å; R291-E344 VanDerWaalsContact NH2-OE1 3.07Å
292S82.6Confident85.8Confident82 Ų8240.3 Ų40.357%0.57322%0.218SC*.G310 helixtrans-71.3-11.6-179.958.20000113.5R290 F294R290-S292 VanDerWaalsContact CD-OG 3.26Å; R290-S292 WeakPolarHBondContact CD-OG 3.44Å; R290-S292 WeakPolarHBondContact CG-OG 3.48Å; R290-S292 PolarHBondContact NE-OG 3.25Å; R290-S292 PolarHBondContact O-N 2.86Å; S292-F294 VanDerWaalsContact C-N 3.27Å
293L81.9Confident85.7Confident13 Ų1340.4 Ų40.47%0.06822%0.218CC..G310 helixtrans-65.9-32.2174.1-173.964.8000111.9T249 R252 F255 T289 R290 R291T249-L293 HydrophobicContact CG2-CD1 4.46Å; R252-L293 HydrophobicContact CB-CD1 4.07Å; R252-L293 HydrophobicContact CB-CG 4.26Å; R252-L293 VanDerWaalsContact CD-O 3.28Å; R252-L293 WeakPolarHBondContact CD-O 3.44Å; R252-L293 HydrophobicContact CG-CG 4.32Å; R252-L293 PolarHBondContact NE-O 3.3Å; R252-L293 PolarHBondContact NH1-O 3.04Å; F255-L293 HydrophobicContact CD2-CD2 4.46Å; T289-L293 HydrophobicContact CG2-CD2 3.51Å; R290-L293 WeakPolarHBondContact O-CB 3.35Å; R290-L293 PolarHBondContact O-N 3.47Å; R291-L293 PolarHBondContact O-N 2.96Å
294F83.9Confident85.6Confident7 Ų741.1 Ų41.13%0.03123%0.226CC..SBendtrans-104.7144.2-171.8-51.9-69.6000112.5F255 L256 T289 R291 S292 E298 R299 Y302F255-F294 HydrophobicContact CB-CE1 3.78Å; F255-F294 HydrophobicContact CB-CZ 3.81Å; F255-F294 HydrophobicContact CG-CZ 4.43Å; L256-F294 HydrophobicContact CD2-CD1 3.77Å; L256-F294 HydrophobicContact CD2-CE1 4.04Å; L256-F294 HydrophobicContact CG-CD1 4.4Å; L256-F294 HydrophobicContact CG-CE1 4.4Å; T289-F294 HydrophobicContact CG2-CE2 4.24Å; T289-F294 HydrophobicContact CG2-CZ 4.29Å; R291-F294 PolarHBondContact O-N 3.15Å; S292-F294 VanDerWaalsContact C-N 3.27Å; F294-E298 HydrophobicContact CB-CB 4.29Å; F294-R299 HydrophobicContact CB-CB 3.96Å; F294-Y302 HydrophobicContact CE1-CD2 4.46Å; F294-Y302 HydrophobicContact CE1-CG 4.5Å; F294-Y302 AromaticContact CE2-CD1 3.87Å; F294-Y302 HydrophobicContact CE2-CD1 3.87Å; F294-Y302 AromaticContact CE2-CE1 3.98Å; F294-Y302 HydrophobicContact CE2-CE1 3.98Å; F294-Y302 HydrophobicContact CE2-CG 4.27Å; F294-Y302 HydrophobicContact CZ-CD1 4.04Å; F294-Y302 HydrophobicContact CZ-CD2 4.16Å; F294-Y302 HydrophobicContact CZ-CE1 4.04Å; F294-Y302 HydrophobicContact CZ-CE2 4.18Å; F294-Y302 HydrophobicContact CZ-CG 4.09Å
295N83.8Confident85.6Confident88 Ų8843.1 Ų43.147%0.47124%0.237SC..  trans-71.7162.1168.6-68.4-1.5000110.5R252 E298 R299R252-N295 PolarHBondContact NH1-OD1 2.85Å; R252-N295 VanDerWaalsContact NH1-OD1 3.16Å; R252-N295 PolarHBondContact NH2-ND2 3.15Å; R252-N295 PolarHBondContact NH2-OD1 3.44Å; N295-E298 PolarHBondContact O-N 3.26Å; N295-R299 VanDerWaalsContact O-CB 3.32Å; N295-R299 WeakPolarHBondContact O-CB 3.43Å; N295-R299 PolarHBondContact O-N 2.87Å
296S80.6Confident85.7Confident79 Ų7942.3 Ų42.355%0.55223%0.233SC*.Hα-helixtrans-49.1-49.4-176.9-163.80000115.6R299 A300S296-R299 PolarHBondContact O-N 3.37Å; S296-A300 PolarHBondContact O-N 3.28Å
297P82.8Confident85.8Confident100 Ų10042.5 Ų42.565%0.64923%0.234SC*.Hα-helixtrans-71.8-38-179.528.1-34.4000112.8R299 A300 K301P297-R299 VanDerWaalsContact C-N 3.31Å; P297-R299 PolarHBondContact O-N 3.36Å; P297-A300 PolarHBondContact O-N 3.49Å; P297-K301 PolarHBondContact O-N 3.45Å; P297-K301 VanDerWaalsContact O-N 3.16Å
298E85.1Confident85.9Confident52 Ų5248.6 Ų48.624%0.24326%0.26CS..Hα-helixtrans-64-39.7176.6-71.6171.3-155.600111.6R252 L256 F294 N295 A300 K301 Y302R252-E298 IonicContact CZ-OE1 3.25Å; R252-E298 IonicContact CZ-OE2 2.76Å; R252-E298 IonicContact NE-OE2 3.58Å; R252-E298 PolarHBondContact NE-OE2 3.43Å; R252-E298 IonicContact NH2-OE1 2.7Å; R252-E298 PolarHBondContact NH2-OE1 3.13Å; R252-E298 IonicContact NH2-OE2 3.33Å; R252-E298 PolarHBondContact NH2-OE2 3.08Å; L256-E298 HydrophobicContact CD1-CG 4.46Å; L256-E298 HydrophobicContact CD2-CB 3.76Å; L256-E298 HydrophobicContact CD2-CG 3.93Å; F294-E298 HydrophobicContact CB-CB 4.29Å; N295-E298 PolarHBondContact O-N 3.26Å; E298-A300 VanDerWaalsContact C-N 3.34Å; E298-A300 PolarHBondContact O-N 3.16Å; E298-K301 PolarHBondContact O-N 3.39Å; E298-Y302 WeakPolarHBondContact O-CB 3.41Å; E298-Y302 PolarHBondContact O-N 2.96Å
299R85.9Confident86Confident43 Ų4348.8 Ų48.816%0.16226%0.262CS..Hα-helixtrans-60.9-43.7177.1-173.3175.462.1-151.55.7111.4F294 N295 S296 P297 K301 Y302 L303 Y340 E344F294-R299 HydrophobicContact CB-CB 3.96Å; N295-R299 VanDerWaalsContact O-CB 3.32Å; N295-R299 WeakPolarHBondContact O-CB 3.43Å; N295-R299 PolarHBondContact O-N 2.87Å; S296-R299 PolarHBondContact O-N 3.37Å; P297-R299 VanDerWaalsContact C-N 3.31Å; P297-R299 PolarHBondContact O-N 3.36Å; R299-K301 VanDerWaalsContact C-N 3.35Å; R299-Y302 PolarHBondContact O-N 3.49Å; R299-L303 VanDerWaalsContact O-CB 3.24Å; R299-L303 WeakPolarHBondContact O-CB 3.3Å; R299-L303 PolarHBondContact O-N 3.11Å; R299-Y340 HydrophobicContact CG-CD1 4.23Å; R299-Y340 HydrophobicContact CG-CE1 3.89Å; R299-E344 IonicContact CZ-OE1 3.83Å; R299-E344 IonicContact NE-OE1 3.47Å; R299-E344 PolarHBondContact NE-OE1 2.87Å; R299-E344 IonicContact NH1-OE1 2.88Å; R299-E344 IonicContact NH2-OE1 3.1Å; R299-E344 PolarHBondContact NH2-OE1 3.37Å
300A85.4Confident86.2Confident63 Ų6348.7 Ų48.752%0.52126%0.262SS..Hα-helixtrans-62.7-42.4176.600000111.6S296 P297 E298 G304S296-A300 PolarHBondContact O-N 3.28Å; P297-A300 PolarHBondContact O-N 3.49Å; E298-A300 VanDerWaalsContact C-N 3.34Å; E298-A300 PolarHBondContact O-N 3.16Å; A300-G304 PolarHBondContact O-N 3.4Å
301K86.9Confident86.7Confident133 Ų13345.6 Ų45.658%0.57825%0.252SS*.Hα-helixtrans-64-47.3176.8-171.5-178.3180-173.70112.2P297 E298 R299 G304 N305P297-K301 PolarHBondContact O-N 3.45Å; P297-K301 VanDerWaalsContact O-N 3.16Å; E298-K301 PolarHBondContact O-N 3.39Å; R299-K301 VanDerWaalsContact C-N 3.35Å; K301-G304 PolarHBondContact O-N 3.33Å; K301-N305 PolarHBondContact O-N 3.11Å; K301-N305 VanDerWaalsContact O-N 3.12Å
302Y88.9Confident87.1Confident6 Ų648 Ų482%0.02426%0.261CS..Hα-helixtrans-63.7-44.2179.4-175.1-99.1000111.7F255 L261 F286 F294 E298 R299 G304 N305 L306 Y340F255-Y302 HydrophobicContact CB-CE2 4.16Å; F255-Y302 HydrophobicContact CD1-CE2 4.49Å; F255-Y302 WeakPolarHBondContact O-CD2 3.44Å; F255-Y302 VanDerWaalsContact O-CE2 3.24Å; F255-Y302 WeakPolarHBondContact O-CE2 2.92Å; L261-Y302 HydrophobicContact CD1-CD2 3.9Å; L261-Y302 HydrophobicContact CD1-CE2 3.54Å; L261-Y302 HydrophobicContact CD2-CE2 4.39Å; L261-Y302 HydrophobicContact CG-CE2 4.1Å; F286-Y302 PolarHBondContact O-OH 3.04Å; F294-Y302 HydrophobicContact CE1-CD2 4.46Å; F294-Y302 HydrophobicContact CE1-CG 4.5Å; F294-Y302 AromaticContact CE2-CD1 3.87Å; F294-Y302 HydrophobicContact CE2-CD1 3.87Å; F294-Y302 AromaticContact CE2-CE1 3.98Å; F294-Y302 HydrophobicContact CE2-CE1 3.98Å; F294-Y302 HydrophobicContact CE2-CG 4.27Å; F294-Y302 HydrophobicContact CZ-CD1 4.04Å; F294-Y302 HydrophobicContact CZ-CD2 4.16Å; F294-Y302 HydrophobicContact CZ-CE1 4.04Å; F294-Y302 HydrophobicContact CZ-CE2 4.18Å; F294-Y302 HydrophobicContact CZ-CG 4.09Å; E298-Y302 WeakPolarHBondContact O-CB 3.41Å; E298-Y302 PolarHBondContact O-N 2.96Å; R299-Y302 PolarHBondContact O-N 3.49Å; Y302-G304 PolarHBondContact O-N 3.35Å; Y302-N305 PolarHBondContact O-N 2.97Å; Y302-L306 HydrophobicContact CD1-CD1 3.97Å; Y302-L306 HydrophobicContact CD1-CG 4.47Å; Y302-L306 HydrophobicContact CE1-CD1 3.63Å; Y302-L306 HydrophobicContact CE1-CG 4.21Å; Y302-L306 PolarHBondContact O-N 3.21Å; Y302-L306 VanDerWaalsContact O-N 3.13Å; Y302-Y340 WeakPolarHBondContact CD1-OH 3.04Å; Y302-Y340 VanDerWaalsContact CE1-OH 3.3Å; Y302-Y340 WeakPolarHBondContact CE1-OH 3.29Å
303L89Confident87.5Confident2 Ų244.1 Ų44.11%0.0123%0.233CC..Hα-helixtrans-61.8-42.4175.3-17758.6000111.9R299 N305 L306 I307 Y340 E344 L345 V348R299-L303 VanDerWaalsContact O-CB 3.24Å; R299-L303 WeakPolarHBondContact O-CB 3.3Å; R299-L303 PolarHBondContact O-N 3.11Å; L303-N305 VanDerWaalsContact C-N 3.31Å; L303-N305 PolarHBondContact O-N 2.63Å; L303-L306 PolarHBondContact O-N 3.44Å; L303-I307 HydrophobicContact CD1-CG1 4.27Å; L303-I307 HydrophobicContact CG-CG1 4.44Å; L303-I307 WeakPolarHBondContact O-CG1 3.27Å; L303-I307 PolarHBondContact O-N 3.33Å; L303-Y340 HydrophobicContact CD1-CD1 4.17Å; L303-Y340 HydrophobicContact CD1-CD2 3.68Å; L303-Y340 HydrophobicContact CD1-CE1 4.47Å; L303-Y340 HydrophobicContact CD1-CE2 4.01Å; L303-Y340 HydrophobicContact CD1-CG 3.77Å; L303-Y340 HydrophobicContact CD2-CD1 4.16Å; L303-Y340 HydrophobicContact CD2-CG 4.19Å; L303-E344 HydrophobicContact CD2-CB 4.08Å; L303-L345 HydrophobicContact CD1-CD2 3.86Å; L303-L345 HydrophobicContact CD2-CD2 4.08Å; L303-L345 HydrophobicContact CD2-CG 4.5Å; L303-L345 HydrophobicContact CG-CD2 4.34Å; L303-V348 HydrophobicContact CD2-CG2 4.15Å; L303-V348 HydrophobicContact CG-CG2 4.13Å
304G89.3Confident87.9Confident16 Ų1644.4 Ų44.417%0.16524%0.235CC..Hα-helixtrans-57.2-42.117500000112.8A300 K301 Y302 I307 K308A300-G304 PolarHBondContact O-N 3.4Å; K301-G304 PolarHBondContact O-N 3.33Å; Y302-G304 PolarHBondContact O-N 3.35Å; G304-I307 PolarHBondContact O-N 3.42Å; G304-K308 WeakPolarHBondContact O-CB 3.45Å; G304-K308 PolarHBondContact O-N 2.73Å
305N89Confident88.1Confident41 Ų4149.2 Ų49.222%0.21926%0.257CS..Hα-helixtrans-64.9-41.3176.3-70.4-11.5000112.5L261 K301 Y302 L303 K308 G309L261-N305 HydrophobicContact CD1-CB 3.98Å; K301-N305 PolarHBondContact O-N 3.11Å; K301-N305 VanDerWaalsContact O-N 3.12Å; Y302-N305 PolarHBondContact O-N 2.97Å; L303-N305 VanDerWaalsContact C-N 3.31Å; L303-N305 PolarHBondContact O-N 2.63Å; N305-K308 PolarHBondContact O-N 3.12Å; N305-G309 PolarHBondContact O-N 3.02Å
306L90.6Very high88.2Confident0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-61.7-47.2175.3-70.3174.8000111.6L261 A287 Y302 L303 K308 G309 V310 F332 L336 Y340L261-L306 HydrophobicContact CD1-CD2 4Å; L261-L306 HydrophobicContact CD1-CG 4.27Å; L261-L306 HydrophobicContact CD2-CD2 4Å; A287-L306 HydrophobicContact CB-CD1 4.49Å; Y302-L306 HydrophobicContact CD1-CD1 3.97Å; Y302-L306 HydrophobicContact CD1-CG 4.47Å; Y302-L306 HydrophobicContact CE1-CD1 3.63Å; Y302-L306 HydrophobicContact CE1-CG 4.21Å; Y302-L306 PolarHBondContact O-N 3.21Å; Y302-L306 VanDerWaalsContact O-N 3.13Å; L303-L306 PolarHBondContact O-N 3.44Å; L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.09Å; L306-G309 PolarHBondContact O-N 3.02Å; L306-G309 VanDerWaalsContact O-N 3.14Å; L306-V310 WeakPolarHBondContact O-CG2 3.37Å; L306-V310 PolarHBondContact O-N 3.46Å; L306-F332 HydrophobicContact CD2-CE2 4.21Å; L306-F332 HydrophobicContact CD2-CZ 4.2Å; L306-L336 HydrophobicContact CB-CD2 4.2Å; L306-L336 HydrophobicContact CD1-CD2 4.15Å; L306-Y340 HydrophobicContact CD1-CE2 4.11Å
307I90.9Very high88.2Confident6 Ų648 Ų483%0.03125%0.249CC..Hα-helixtrans-64.3-39179.6-65.6-62.1000111.5L303 G304 G309 V310 K311 L336 L345 V348 E350 V354L303-I307 HydrophobicContact CD1-CG1 4.27Å; L303-I307 HydrophobicContact CG-CG1 4.44Å; L303-I307 WeakPolarHBondContact O-CG1 3.27Å; L303-I307 PolarHBondContact O-N 3.33Å; G304-I307 PolarHBondContact O-N 3.42Å; I307-G309 VanDerWaalsContact C-N 3.31Å; I307-G309 PolarHBondContact O-N 3.38Å; I307-V310 WeakPolarHBondContact O-CB 3.44Å; I307-V310 PolarHBondContact O-N 3.41Å; I307-K311 PolarHBondContact O-N 2.99Å; I307-L336 HydrophobicContact CD1-CD1 4.27Å; I307-L345 HydrophobicContact CD1-CD2 3.97Å; I307-V348 HydrophobicContact CB-CG1 4.18Å; I307-V348 HydrophobicContact CG1-CG1 4.44Å; I307-V348 HydrophobicContact CG2-CG1 4.05Å; I307-E350 HydrophobicContact CG2-CB 4.32Å; I307-V354 HydrophobicContact CG2-CB 4.18Å; I307-V354 HydrophobicContact CG2-CG1 4.24Å; I307-V354 HydrophobicContact CG2-CG2 3.81Å
308K90.6Very high87.9Confident127 Ų12750.7 Ų50.755%0.55225%0.252SS*.Hα-helixtrans-61-40172.8-174.4-177.2177.7-171.30112G304 N305 L306 K311 R312G304-K308 WeakPolarHBondContact O-CB 3.45Å; G304-K308 PolarHBondContact O-N 2.73Å; N305-K308 PolarHBondContact O-N 3.12Å; L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.09Å; K308-K311 WeakPolarHBondContact O-CB 3.36Å; K308-K311 PolarHBondContact O-N 3.46Å; K308-R312 PolarHBondContact O-N 3.02Å; K308-R312 VanDerWaalsContact O-N 3.12Å
309G88.8Confident87.5Confident5 Ų549.4 Ų49.45%0.05225%0.254CS..Hα-helixtrans-65.6-43.3174.500000113.3N305 L306 I307 K311 R312 I313N305-G309 PolarHBondContact O-N 3.02Å; L306-G309 PolarHBondContact O-N 3.02Å; L306-G309 VanDerWaalsContact O-N 3.14Å; I307-G309 VanDerWaalsContact C-N 3.31Å; I307-G309 PolarHBondContact O-N 3.38Å; G309-K311 VanDerWaalsContact C-N 3.32Å; G309-K311 PolarHBondContact O-N 2.91Å; G309-R312 PolarHBondContact O-N 3.2Å; G309-I313 WeakPolarHBondContact O-CG1 3.28Å; G309-I313 PolarHBondContact O-N 3.38Å; G309-I313 VanDerWaalsContact O-N 3.13Å
310V91.4Very high87.4Confident0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-56.5-47.4172.3174.70000110.8L306 I307 R312 I313 L314 F329 F332 L333 L336 V354 I358L306-V310 WeakPolarHBondContact O-CG2 3.37Å; L306-V310 PolarHBondContact O-N 3.46Å; I307-V310 WeakPolarHBondContact O-CB 3.44Å; I307-V310 PolarHBondContact O-N 3.41Å; V310-R312 VanDerWaalsContact C-N 3.34Å; V310-R312 PolarHBondContact O-N 3.45Å; V310-I313 PolarHBondContact O-N 3.03Å; V310-L314 HydrophobicContact CG1-CD1 3.71Å; V310-L314 HydrophobicContact CG1-CG 4.37Å; V310-L314 WeakPolarHBondContact O-CG 3.38Å; V310-L314 PolarHBondContact O-N 3.33Å; V310-F329 HydrophobicContact CG1-CZ 4.26Å; V310-F332 HydrophobicContact CG2-CD1 4.12Å; V310-F332 HydrophobicContact CG2-CE1 3.34Å; V310-F332 HydrophobicContact CG2-CZ 4.04Å; V310-L333 HydrophobicContact CG1-CD2 3.75Å; V310-L333 HydrophobicContact CG2-CD2 4.31Å; V310-L336 HydrophobicContact CG2-CD1 3.77Å; V310-V354 HydrophobicContact CB-CG1 4.43Å; V310-V354 HydrophobicContact CG1-CG1 3.85Å; V310-I358 HydrophobicContact CG1-CD1 4.32Å; V310-I358 HydrophobicContact CG1-CG1 4.44Å
311K92.3Very high87.2Confident40 Ų4049.8 Ų49.817%0.17426%0.258CS..Hα-helixtrans-54.2-51.2177.8-172.5178163.1172.90111.1I307 K308 G309 I313 L314 E315 E353 V354 L357I307-K311 PolarHBondContact O-N 2.99Å; K308-K311 WeakPolarHBondContact O-CB 3.36Å; K308-K311 PolarHBondContact O-N 3.46Å; G309-K311 VanDerWaalsContact C-N 3.32Å; G309-K311 PolarHBondContact O-N 2.91Å; K311-I313 VanDerWaalsContact C-N 3.31Å; K311-I313 PolarHBondContact O-N 3.49Å; K311-L314 PolarHBondContact O-N 3.14Å; K311-L314 VanDerWaalsContact O-N 3.15Å; K311-E315 VanDerWaalsContact CE-CD 3.5Å; K311-E315 WeakPolarHBondContact CE-OE1 3.44Å; K311-E315 HydrophobicContact CG-CG 4.35Å; K311-E315 IonicContact NZ-OE1 3.63Å; K311-E315 WeakPolarHBondContact O-CG 3.22Å; K311-E315 PolarHBondContact O-N 3.43Å; K311-E353 VanDerWaalsContact CE-CD 3.5Å; K311-E353 WeakPolarHBondContact CE-OE1 3.44Å; K311-E353 WeakPolarHBondContact CE-OE2 3.38Å; K311-E353 IonicContact NZ-OE1 3.55Å; K311-E353 PolarHBondContact NZ-OE1 2.95Å; K311-E353 VanDerWaalsContact NZ-OE1 3.12Å; K311-E353 IonicContact NZ-OE2 3.9Å; K311-E353 PolarHBondContact NZ-OE2 3.37Å; K311-V354 HydrophobicContact CB-CG2 3.61Å; K311-V354 HydrophobicContact CD-CG2 4.3Å; K311-V354 HydrophobicContact CG-CG2 4Å; K311-L357 HydrophobicContact CG-CD1 4.36Å
312R90.4Very high87.2Confident106 Ų10646 Ų4640%0.424%0.244SC..Hα-helixtrans-59.4-39.7-178.3-171-178.6175.5-175.7-2.2112.7N266 K308 G309 V310 N316N266-R312 PolarHBondContact OD1-NH1 3.42Å; N266-R312 PolarHBondContact OD1-NH2 2.99Å; K308-R312 PolarHBondContact O-N 3.02Å; K308-R312 VanDerWaalsContact O-N 3.12Å; G309-R312 PolarHBondContact O-N 3.2Å; V310-R312 VanDerWaalsContact C-N 3.34Å; V310-R312 PolarHBondContact O-N 3.45Å; R312-N316 PolarHBondContact O-N 3.02Å
313I90.7Very high87Confident0 Ų049.4 Ų49.40%027%0.267CS..Hα-helixtrans-67.8-42.4177-64.8171.4000110.9F265 Y268 L280 G309 V310 K311 N316 L320 F329F265-I313 HydrophobicContact CD1-CD1 4.01Å; F265-I313 HydrophobicContact CE1-CD1 3.88Å; Y268-I313 HydrophobicContact CD1-CD1 4.24Å; Y268-I313 HydrophobicContact CD1-CG1 3.97Å; Y268-I313 HydrophobicContact CE1-CB 4.41Å; Y268-I313 HydrophobicContact CE1-CD1 4.25Å; Y268-I313 HydrophobicContact CE1-CG1 3.79Å; Y268-I313 HydrophobicContact CE1-CG2 3.98Å; L280-I313 HydrophobicContact CD2-CD1 4.03Å; G309-I313 WeakPolarHBondContact O-CG1 3.28Å; G309-I313 PolarHBondContact O-N 3.38Å; G309-I313 VanDerWaalsContact O-N 3.13Å; V310-I313 PolarHBondContact O-N 3.03Å; K311-I313 VanDerWaalsContact C-N 3.31Å; K311-I313 PolarHBondContact O-N 3.49Å; I313-N316 CarbonylContact O-C 3.29Å; I313-N316 PolarHBondContact O-N 3.37Å; I313-N316 VanDerWaalsContact O-O 3.08Å; I313-L320 HydrophobicContact CG2-CD1 4.2Å; I313-L320 HydrophobicContact CG2-CD2 4.29Å; I313-L320 HydrophobicContact CG2-CG 4.36Å; I313-F329 HydrophobicContact CB-CE2 4Å; I313-F329 HydrophobicContact CB-CZ 4.4Å; I313-F329 HydrophobicContact CD1-CD2 4.18Å; I313-F329 HydrophobicContact CD1-CE2 3.97Å; I313-F329 HydrophobicContact CG2-CD2 3.94Å; I313-F329 HydrophobicContact CG2-CE2 3.66Å; I313-F329 HydrophobicContact CG2-CZ 3.99Å
314L89.8Confident86.8Confident18 Ų1850 Ų509%0.09427%0.273CS..Hα-helixtrans-71.7-30.1-179.5-70.7172.1000113.3V310 K311 N316 F329 L357 I358 F361V310-L314 HydrophobicContact CG1-CD1 3.71Å; V310-L314 HydrophobicContact CG1-CG 4.37Å; V310-L314 WeakPolarHBondContact O-CG 3.38Å; V310-L314 PolarHBondContact O-N 3.33Å; K311-L314 PolarHBondContact O-N 3.14Å; K311-L314 VanDerWaalsContact O-N 3.15Å; L314-N316 VanDerWaalsContact C-N 3.3Å; L314-F329 HydrophobicContact CD1-CZ 4.41Å; L314-F329 HydrophobicContact CD2-CE1 3.63Å; L314-F329 HydrophobicContact CD2-CZ 3.8Å; L314-F329 HydrophobicContact CG-CE1 4.21Å; L314-F329 HydrophobicContact CG-CZ 3.85Å; L314-L357 HydrophobicContact CB-CB 3.98Å; L314-L357 HydrophobicContact CB-CD1 4.04Å; L314-L357 HydrophobicContact CD1-CB 3.67Å; L314-L357 HydrophobicContact CG-CB 4.38Å; L314-I358 HydrophobicContact CD1-CG1 3.68Å; L314-F361 HydrophobicContact CD2-CB 3.94Å; L314-F361 HydrophobicContact CD2-CD2 4.29Å; L314-F361 HydrophobicContact CD2-CG 4.03Å
315E88.3Confident86.7Confident109 Ų10949.3 Ų49.351%0.50927%0.266SS..Hα-helixtrans-70.7-25.7173.3-73.9177.3151.600112.5K311 L357K311-E315 VanDerWaalsContact CE-CD 3.5Å; K311-E315 WeakPolarHBondContact CE-OE1 3.44Å; K311-E315 HydrophobicContact CG-CG 4.35Å; K311-E315 IonicContact NZ-OE1 3.63Å; K311-E315 WeakPolarHBondContact O-CG 3.22Å; K311-E315 PolarHBondContact O-N 3.43Å; E315-L357 HydrophobicContact CG-CD1 4.23Å
316N86.4Confident86.7Confident71 Ų7148.8 Ų48.838%0.3826%0.261SS..  trans-126.178.7175.9-170.52.5000111.9R312 I313 L314 Q318R312-N316 PolarHBondContact O-N 3.02Å; I313-N316 CarbonylContact O-C 3.29Å; I313-N316 PolarHBondContact O-N 3.37Å; I313-N316 VanDerWaalsContact O-O 3.08Å; L314-N316 VanDerWaalsContact C-N 3.3Å; N316-Q318 PolarHBondContact O-N 3.46Å; N316-Q318 VanDerWaalsContact O-N 3.13Å; N316-Q318 WeakPolarHBondContact OD1-CG 3.24Å
317P80Confident86.6Confident71 Ų7151.1 Ų51.146%0.46127%0.272SS..G310 helixtrans-78.16.2-170.932.8-36.9000114.3G319 L320P317-G319 PolarHBondContact O-N 2.96Å; P317-L320 HydrophobicContact CB-CD1 4.33Å; P317-L320 WeakPolarHBondContact O-CB 3.17Å; P317-L320 PolarHBondContact O-N 2.87Å
318Q75.9Confident86.5Confident155 Ų15551.3 Ų51.372%0.72427%0.273SS*.G310 helixtrans-55.1-39.3-175.6-68.6-178.1-6.500112.6N316 L320 S321N316-Q318 PolarHBondContact O-N 3.46Å; N316-Q318 VanDerWaalsContact O-N 3.13Å; N316-Q318 WeakPolarHBondContact OD1-CG 3.24Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 2.92Å; Q318-S321 PolarHBondContact O-N 3.31Å; Q318-S321 PolarHBondContact O-OG 2.96Å
319G77.1Confident86.6Confident26 Ų2645.3 Ų45.327%0.26825%0.246SC..G310 helixtrans-68.6-20.7177.200000114.8P317 S321 N325P317-G319 PolarHBondContact O-N 2.96Å; G319-S321 VanDerWaalsContact C-N 3.29Å; G319-S321 PolarHBondContact O-N 3.24Å; G319-N325 VanDerWaalsContact O-CB 3.23Å; G319-N325 WeakPolarHBondContact O-CB 3.3Å; G319-N325 PolarHBondContact O-ND2 3.33Å
320L82.9Confident86.6Confident14 Ų1445 Ų457%0.07324%0.244CC..G310 helixtrans-83.5-1.8-178.6-60.3176000113.5I313 P317 Q318 D322 F329 F361I313-L320 HydrophobicContact CG2-CD1 4.2Å; I313-L320 HydrophobicContact CG2-CD2 4.29Å; I313-L320 HydrophobicContact CG2-CG 4.36Å; P317-L320 HydrophobicContact CB-CD1 4.33Å; P317-L320 WeakPolarHBondContact O-CB 3.17Å; P317-L320 PolarHBondContact O-N 2.87Å; Q318-L320 VanDerWaalsContact C-N 3.28Å; Q318-L320 PolarHBondContact O-N 2.92Å; L320-D322 PolarHBondContact O-N 3.42Å; L320-F329 HydrophobicContact CD1-CD1 4.05Å; L320-F329 HydrophobicContact CD1-CE1 4.17Å; L320-F329 HydrophobicContact CD2-CB 3.69Å; L320-F329 HydrophobicContact CD2-CD1 3.83Å; L320-F329 HydrophobicContact CD2-CG 3.78Å; L320-F361 HydrophobicContact CD1-CD2 4.31Å; L320-F361 HydrophobicContact CD1-CE2 3.79Å; L320-F361 HydrophobicContact CD1-CZ 4.41Å
321S83.1Confident86.5Confident100 Ų10046.7 Ų46.770%0.69925%0.25SS*.G310 helixtrans-70.7-20.8171-560000112Q318 G319Q318-S321 PolarHBondContact O-N 3.31Å; Q318-S321 PolarHBondContact O-OG 2.96Å; G319-S321 VanDerWaalsContact C-N 3.29Å; G319-S321 PolarHBondContact O-N 3.24Å
322D85.3Confident86.5Confident53 Ų5344.8 Ų44.828%0.28324%0.242SC..SBendtrans-80.6129.2174178.881.7000110.9P273 L320 G324 N325 Y326P273-D322 HydrophobicContact CB-CB 4.2Å; L320-D322 PolarHBondContact O-N 3.42Å; D322-G324 VanDerWaalsContact C-N 3.28Å; D322-G324 PolarHBondContact O-N 3.06Å; D322-G324 WeakPolarHBondContact OD2-CA 3.21Å; D322-G324 PolarHBondContact OD2-N 2.97Å; D322-N325 HydrophobicContact CB-CB 4.26Å; D322-N325 PolarHBondContact O-N 3.35Å; D322-N325 PolarHBondContact OD2-N 3.2Å; D322-N325 VanDerWaalsContact OD2-N 3.08Å; D322-Y326 WeakPolarHBondContact O-CB 3.44Å; D322-Y326 PolarHBondContact O-N 2.94Å
323P84.8Confident86.5Confident78 Ų7839.8 Ų39.851%0.50622%0.223SC..Hα-helixtrans-58.9-34.1-178.3-26.134.3000114.5H327P323-H327 WeakPolarHBondContact O-CB 3.38Å; P323-H327 PolarHBondContact O-N 3.36Å
324G84.8Confident86.4Confident14 Ų1439.8 Ų39.814%0.14422%0.223CC..Hα-helixtrans-70-48.3-179.500000111.8D322 Y326 H327 E328D322-G324 VanDerWaalsContact C-N 3.28Å; D322-G324 PolarHBondContact O-N 3.06Å; D322-G324 WeakPolarHBondContact OD2-CA 3.21Å; D322-G324 PolarHBondContact OD2-N 2.97Å; G324-Y326 VanDerWaalsContact C-N 3.32Å; G324-Y326 PolarHBondContact O-N 2.86Å; G324-H327 PolarHBondContact O-N 2.96Å; G324-E328 PolarHBondContact O-N 3.44Å; G324-E328 VanDerWaalsContact O-N 3.15Å
325N88Confident86.3Confident2 Ų239.5 Ų39.51%0.01122%0.221CC..Hα-helixtrans-60.6-42.8173.3-74.2-26.6000111.9S276 Q277 L280 G319 D322 E328 F329S276-N325 VanDerWaalsContact C-OD1 3.28Å; S276-N325 VanDerWaalsContact OG-CG 3.27Å; S276-N325 PolarHBondContact OG-ND2 3.23Å; S276-N325 PolarHBondContact OG-OD1 3.25Å; Q277-N325 WeakPolarHBondContact CA-OD1 3.37Å; Q277-N325 PolarHBondContact N-OD1 2.66Å; L280-N325 HydrophobicContact CD1-CB 3.98Å; L280-N325 WeakPolarHBondContact CD1-O 3.39Å; G319-N325 VanDerWaalsContact O-CB 3.23Å; G319-N325 WeakPolarHBondContact O-CB 3.3Å; G319-N325 PolarHBondContact O-ND2 3.33Å; D322-N325 HydrophobicContact CB-CB 4.26Å; D322-N325 PolarHBondContact O-N 3.35Å; D322-N325 PolarHBondContact OD2-N 3.2Å; D322-N325 VanDerWaalsContact OD2-N 3.08Å; N325-E328 PolarHBondContact O-N 3.31Å; N325-F329 VanDerWaalsContact O-CB 3.29Å; N325-F329 WeakPolarHBondContact O-CB 2.99Å; N325-F329 PolarHBondContact O-N 3.45Å
326Y88.8Confident86.1Confident29 Ų2934.6 Ų34.611%0.11420%0.198CC..Hα-helixtrans-58.4-49.5178.3178.1-92.2000111.6D322 G324 F329 C330 F361 S365 A372D322-Y326 WeakPolarHBondContact O-CB 3.44Å; D322-Y326 PolarHBondContact O-N 2.94Å; G324-Y326 VanDerWaalsContact C-N 3.32Å; G324-Y326 PolarHBondContact O-N 2.86Å; Y326-F329 PolarHBondContact O-N 3.29Å; Y326-C330 PolarHBondContact O-N 3.24Å; Y326-C330 PolarHBondContact O-SG 2.94Å; Y326-C330 VanDerWaalsContact O-SG 3.34Å; Y326-F361 HydrophobicContact CD2-CE2 4Å; Y326-F361 AromaticContact CD2-CZ 3.7Å; Y326-F361 HydrophobicContact CD2-CZ 3.7Å; Y326-F361 HydrophobicContact CE2-CE1 4.23Å; Y326-F361 AromaticContact CE2-CE2 3.64Å; Y326-F361 HydrophobicContact CE2-CE2 3.64Å; Y326-F361 AromaticContact CE2-CZ 3.26Å; Y326-F361 HydrophobicContact CE2-CZ 3.26Å; Y326-S365 WeakPolarHBondContact CE2-OG 3.48Å; Y326-S365 WeakPolarHBondContact OH-CB 3.47Å; Y326-S365 PolarHBondContact OH-OG 3.15Å; Y326-A372 HydrophobicContact CD1-CB 4.12Å; Y326-A372 HydrophobicContact CE1-CB 4.03Å
327H89.1Confident86Confident49 Ų4932.4 Ų32.423%0.22719%0.185CC..Hα-helixtrans-59.7-49.9178.7-177.375.2000112.7P323 G324 F329 C330 R331 S375 Y378P323-H327 WeakPolarHBondContact O-CB 3.38Å; P323-H327 PolarHBondContact O-N 3.36Å; G324-H327 PolarHBondContact O-N 2.96Å; H327-F329 VanDerWaalsContact C-N 3.28Å; H327-F329 PolarHBondContact O-N 3.41Å; H327-C330 WeakPolarHBondContact O-CB 3.34Å; H327-C330 PolarHBondContact O-N 3.43Å; H327-R331 WeakPolarHBondContact O-CG 3.32Å; H327-R331 PolarHBondContact O-N 3.3Å; H327-S375 WeakPolarHBondContact CA-OG 3.23Å; H327-S375 PolarHBondContact ND1-OG 2.99Å; H327-Y378 AromaticContact CE1-CE2 3.67Å
328E88.6Confident86.1Confident11 Ų1130.9 Ų30.95%0.05117%0.174CC..Hα-helixtrans-65-33.6-179.8-69.3-62.6125.300112.2Q277 L280 S281 V284 G324 N325 R331 F332Q277-E328 HydrophobicContact CG-CG 3.98Å; L280-E328 HydrophobicContact CB-CB 3.84Å; L280-E328 HydrophobicContact CD1-CB 4.46Å; S281-E328 VanDerWaalsContact CA-OE2 3.29Å; S281-E328 WeakPolarHBondContact CA-OE2 3.46Å; S281-E328 WeakPolarHBondContact CB-OE2 3.38Å; S281-E328 WeakPolarHBondContact OG-CG 3.43Å; S281-E328 PolarHBondContact OG-OE2 2.97Å; V284-E328 VanDerWaalsContact CG2-O 3.25Å; V284-E328 WeakPolarHBondContact CG2-O 3.39Å; G324-E328 PolarHBondContact O-N 3.44Å; G324-E328 VanDerWaalsContact O-N 3.15Å; N325-E328 PolarHBondContact O-N 3.31Å; E328-R331 WeakPolarHBondContact O-CB 3.47Å; E328-R331 PolarHBondContact O-N 3.07Å; E328-R331 WeakPolarHBondContact OE1-CD 3.49Å; E328-R331 IonicContact OE1-CZ 3.12Å; E328-R331 IonicContact OE1-NH1 2.79Å; E328-R331 PolarHBondContact OE1-NH1 3.05Å; E328-R331 IonicContact OE2-NH1 2.78Å; E328-R331 PolarHBondContact OE2-NH1 3.2Å; E328-F332 WeakPolarHBondContact O-CB 3.39Å; E328-F332 PolarHBondContact O-N 3.44Å
329F91.6Very high86.4Confident0 Ų024 Ų240%014%0.142CC..Hα-helixtrans-68.5-40.2174.2-173.3-110.9000112.5L280 V310 I313 L314 L320 N325 Y326 H327 R331 F332 L333 F361L280-F329 HydrophobicContact CD1-CB 4.43Å; V310-F329 HydrophobicContact CG1-CZ 4.26Å; I313-F329 HydrophobicContact CB-CE2 4Å; I313-F329 HydrophobicContact CB-CZ 4.4Å; I313-F329 HydrophobicContact CD1-CD2 4.18Å; I313-F329 HydrophobicContact CD1-CE2 3.97Å; I313-F329 HydrophobicContact CG2-CD2 3.94Å; I313-F329 HydrophobicContact CG2-CE2 3.66Å; I313-F329 HydrophobicContact CG2-CZ 3.99Å; L314-F329 HydrophobicContact CD1-CZ 4.41Å; L314-F329 HydrophobicContact CD2-CE1 3.63Å; L314-F329 HydrophobicContact CD2-CZ 3.8Å; L314-F329 HydrophobicContact CG-CE1 4.21Å; L314-F329 HydrophobicContact CG-CZ 3.85Å; L320-F329 HydrophobicContact CD1-CD1 4.05Å; L320-F329 HydrophobicContact CD1-CE1 4.17Å; L320-F329 HydrophobicContact CD2-CB 3.69Å; L320-F329 HydrophobicContact CD2-CD1 3.83Å; L320-F329 HydrophobicContact CD2-CG 3.78Å; N325-F329 VanDerWaalsContact O-CB 3.29Å; N325-F329 WeakPolarHBondContact O-CB 2.99Å; N325-F329 PolarHBondContact O-N 3.45Å; Y326-F329 PolarHBondContact O-N 3.29Å; H327-F329 VanDerWaalsContact C-N 3.28Å; H327-F329 PolarHBondContact O-N 3.41Å; F329-R331 VanDerWaalsContact C-N 3.32Å; F329-R331 PolarHBondContact O-N 3.26Å; F329-F332 HydrophobicContact CD2-CD1 4.08Å; F329-F332 HydrophobicContact CE2-CD1 4.04Å; F329-F332 WeakPolarHBondContact O-CB 3.42Å; F329-F332 PolarHBondContact O-N 3.44Å; F329-L333 HydrophobicContact CD1-CD1 4.1Å; F329-L333 HydrophobicContact CD1-CG 4.41Å; F329-L333 HydrophobicContact CE1-CD1 3.64Å; F329-L333 HydrophobicContact CE1-CD2 4.38Å; F329-L333 HydrophobicContact CE1-CG 4.04Å; F329-L333 HydrophobicContact CE2-CD2 4.42Å; F329-L333 HydrophobicContact CE2-CG 4.49Å; F329-L333 HydrophobicContact CZ-CD1 4.1Å; F329-L333 HydrophobicContact CZ-CD2 3.97Å; F329-L333 HydrophobicContact CZ-CG 4.07Å; F329-L333 WeakPolarHBondContact O-CG 3.34Å; F329-L333 PolarHBondContact O-N 2.79Å; F329-F361 HydrophobicContact CD1-CE1 4.02Å; F329-F361 AromaticContact CD1-CZ 3.93Å; F329-F361 HydrophobicContact CD1-CZ 3.93Å; F329-F361 HydrophobicContact CE1-CD1 4.42Å; F329-F361 HydrophobicContact CE1-CE1 4.14Å; F329-F361 HydrophobicContact CE1-CZ 4.3Å
330C90.3Very high86.8Confident0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-58.8-43.2171.7-69.60000111.7Y326 H327 L333 A334 Y378 L379Y326-C330 PolarHBondContact O-N 3.24Å; Y326-C330 PolarHBondContact O-SG 2.94Å; Y326-C330 VanDerWaalsContact O-SG 3.34Å; H327-C330 WeakPolarHBondContact O-CB 3.34Å; H327-C330 PolarHBondContact O-N 3.43Å; C330-L333 PolarHBondContact O-N 2.79Å; C330-A334 PolarHBondContact O-N 2.75Å; C330-A334 VanDerWaalsContact O-N 3.13Å; C330-Y378 WeakPolarHBondContact O-CB 3.29Å; C330-L379 HydrophobicContact CB-CD2 4.23Å; C330-L379 HydrophobicContact CB-CG 4.28Å
331R89.4Confident87Confident35 Ų3527.6 Ų27.613%0.13215%0.152CC..Hα-helixtrans-58.9-48.7173.5-67.5176.380.3-1587.9110.8D241 V284 H327 E328 F329 L333 A334 R335 Y378D241-R331 IonicContact OD1-NH2 3Å; D241-R331 PolarHBondContact OD1-NH2 3.48Å; D241-R331 IonicContact OD2-CZ 2.9Å; D241-R331 IonicContact OD2-NE 3.04Å; D241-R331 PolarHBondContact OD2-NE 3.17Å; D241-R331 IonicContact OD2-NH2 3.68Å; D241-R331 PolarHBondContact OD2-NH2 3.38Å; V284-R331 HydrophobicContact CG1-CB 4.17Å; V284-R331 HydrophobicContact CG2-CB 4.12Å; H327-R331 WeakPolarHBondContact O-CG 3.32Å; H327-R331 PolarHBondContact O-N 3.3Å; E328-R331 WeakPolarHBondContact O-CB 3.47Å; E328-R331 PolarHBondContact O-N 3.07Å; E328-R331 WeakPolarHBondContact OE1-CD 3.49Å; E328-R331 IonicContact OE1-CZ 3.12Å; E328-R331 IonicContact OE1-NH1 2.79Å; E328-R331 PolarHBondContact OE1-NH1 3.05Å; E328-R331 IonicContact OE2-NH1 2.78Å; E328-R331 PolarHBondContact OE2-NH1 3.2Å; F329-R331 VanDerWaalsContact C-N 3.32Å; F329-R331 PolarHBondContact O-N 3.26Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-L333 PolarHBondContact O-N 3.3Å; R331-A334 PolarHBondContact O-N 3.38Å; R331-A334 VanDerWaalsContact O-N 3.15Å; R331-R335 WeakPolarHBondContact O-CG 3.46Å; R331-R335 PolarHBondContact O-N 3.48Å; R331-Y378 HydrophobicContact CG-CD1 4.15Å; R331-Y378 HydrophobicContact CG-CD2 3.83Å; R331-Y378 HydrophobicContact CG-CE1 3.89Å; R331-Y378 HydrophobicContact CG-CE2 3.56Å; R331-Y378 HydrophobicContact CG-CG 4.12Å
332F90.9Very high87.1Confident0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-55-47.7179.4178.6-124.7000111.8F265 L283 V284 A287 L306 V310 E328 F329 A334 R335 L336F265-F332 HydrophobicContact CE1-CE1 4.42Å; F265-F332 HydrophobicContact CE1-CZ 4.38Å; F265-F332 HydrophobicContact CZ-CE1 4.44Å; F265-F332 AromaticContact CZ-CZ 4Å; F265-F332 HydrophobicContact CZ-CZ 4Å; L283-F332 HydrophobicContact CB-CD2 4.42Å; L283-F332 HydrophobicContact CB-CE2 4.26Å; L283-F332 WeakPolarHBondContact O-CE2 3.38Å; V284-F332 HydrophobicContact CG2-CB 3.8Å; A287-F332 HydrophobicContact CB-CD2 3.66Å; A287-F332 HydrophobicContact CB-CE2 3.52Å; L306-F332 HydrophobicContact CD2-CE2 4.21Å; L306-F332 HydrophobicContact CD2-CZ 4.2Å; V310-F332 HydrophobicContact CG2-CD1 4.12Å; V310-F332 HydrophobicContact CG2-CE1 3.34Å; V310-F332 HydrophobicContact CG2-CZ 4.04Å; E328-F332 WeakPolarHBondContact O-CB 3.39Å; E328-F332 PolarHBondContact O-N 3.44Å; F329-F332 HydrophobicContact CD2-CD1 4.08Å; F329-F332 HydrophobicContact CE2-CD1 4.04Å; F329-F332 WeakPolarHBondContact O-CB 3.42Å; F329-F332 PolarHBondContact O-N 3.44Å; F332-A334 PolarHBondContact O-N 3.08Å; F332-R335 PolarHBondContact O-N 3.15Å; F332-L336 PolarHBondContact O-N 3.03Å
333L90.9Very high87Confident1 Ų121.8 Ų21.81%0.00512%0.12CC..Hα-helixtrans-60.4-44.1177.5-68.7-179.8000112.3V310 F329 C330 R331 R335 L336 I358 F361 L379 L382V310-L333 HydrophobicContact CG1-CD2 3.75Å; V310-L333 HydrophobicContact CG2-CD2 4.31Å; F329-L333 HydrophobicContact CD1-CD1 4.1Å; F329-L333 HydrophobicContact CD1-CG 4.41Å; F329-L333 HydrophobicContact CE1-CD1 3.64Å; F329-L333 HydrophobicContact CE1-CD2 4.38Å; F329-L333 HydrophobicContact CE1-CG 4.04Å; F329-L333 HydrophobicContact CE2-CD2 4.42Å; F329-L333 HydrophobicContact CE2-CG 4.49Å; F329-L333 HydrophobicContact CZ-CD1 4.1Å; F329-L333 HydrophobicContact CZ-CD2 3.97Å; F329-L333 HydrophobicContact CZ-CG 4.07Å; F329-L333 WeakPolarHBondContact O-CG 3.34Å; F329-L333 PolarHBondContact O-N 2.79Å; C330-L333 PolarHBondContact O-N 2.79Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-L333 PolarHBondContact O-N 3.3Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-R335 PolarHBondContact O-N 3.23Å; L333-L336 HydrophobicContact CD2-CD1 4.26Å; L333-L336 WeakPolarHBondContact O-CB 3.42Å; L333-L336 PolarHBondContact O-N 2.99Å; L333-I358 HydrophobicContact CD1-CG2 4.45Å; L333-I358 HydrophobicContact CD2-CD1 3.98Å; L333-I358 HydrophobicContact CD2-CG1 4.14Å; L333-F361 HydrophobicContact CD1-CD1 4.2Å; L333-F361 HydrophobicContact CD1-CE1 4.22Å; L333-L379 HydrophobicContact CD1-CD2 3.94Å; L333-L382 HydrophobicContact CB-CD2 3.85Å
334A88.8Confident87Confident0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-64.2-31.8177.800000113.5L242 C330 R331 F332 T338 Y378L242-A334 HydrophobicContact CD2-CB 4Å; C330-A334 PolarHBondContact O-N 2.75Å; C330-A334 VanDerWaalsContact O-N 3.13Å; R331-A334 PolarHBondContact O-N 3.38Å; R331-A334 VanDerWaalsContact O-N 3.15Å; F332-A334 PolarHBondContact O-N 3.08Å; A334-T338 PolarHBondContact O-N 3.21Å; A334-T338 PolarHBondContact O-OG1 3.43Å; A334-Y378 HydrophobicContact CB-CD1 4.1Å; A334-Y378 HydrophobicContact CB-CG 4.44Å; A334-Y378 WeakPolarHBondContact CB-O 3.4Å
335R86.7Confident87.1Confident12 Ų1219.3 Ų19.35%0.04510%0.098CC..Hα-helixtrans-67.7-33.7177.5-63.8-43.8-168.1119.37.1113D241 L242 C243 V284 A287 S288 R331 F332 L333 K337 T338 N339D241-R335 PolarHBondContact O-NE 3.36Å; D241-R335 PolarHBondContact O-NH2 2.92Å; L242-R335 VanDerWaalsContact CA-CZ 3.44Å; L242-R335 PolarHBondContact O-NH1 3.37Å; L242-R335 VanDerWaalsContact O-NH1 3.14Å; C243-R335 PolarHBondContact O-NH1 2.91Å; V284-R335 HydrophobicContact CG1-CG 3.99Å; A287-R335 HydrophobicContact CB-CB 4.11Å; S288-R335 WeakPolarHBondContact OG-CG 3.43Å; S288-R335 PolarHBondContact OG-NH1 3.42Å; R331-R335 WeakPolarHBondContact O-CG 3.46Å; R331-R335 PolarHBondContact O-N 3.48Å; F332-R335 PolarHBondContact O-N 3.15Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-R335 PolarHBondContact O-N 3.23Å; R335-K337 PolarHBondContact O-N 3.12Å; R335-T338 PolarHBondContact O-N 2.89Å; R335-N339 WeakPolarHBondContact O-CB 3.45Å; R335-N339 PolarHBondContact O-N 3.46Å
336L85.6Confident87Confident6 Ų619.6 Ų19.63%0.03110%0.1CC..Hα-helixtrans-56-52.6-179.9-66.1171.1000111.9A287 L306 I307 V310 F332 L333 Y340A287-L336 HydrophobicContact CB-CD2 4.37Å; L306-L336 HydrophobicContact CB-CD2 4.2Å; L306-L336 HydrophobicContact CD1-CD2 4.15Å; I307-L336 HydrophobicContact CD1-CD1 4.27Å; V310-L336 HydrophobicContact CG2-CD1 3.77Å; F332-L336 PolarHBondContact O-N 3.03Å; L333-L336 HydrophobicContact CD2-CD1 4.26Å; L333-L336 WeakPolarHBondContact O-CB 3.42Å; L333-L336 PolarHBondContact O-N 2.99Å; L336-Y340 WeakPolarHBondContact O-CB 3.46Å; L336-Y340 WeakPolarHBondContact O-CD2 3.45Å; L336-Y340 PolarHBondContact O-N 3.04Å
337K84.4Confident86.8Confident25 Ų2523.5 Ų23.511%0.10912%0.12CC..Hα-helixtrans-74.9-26.4-179.4179.157-17362.40113.7R335 N339 Y340 L345 L382 R385 M386 S389R335-K337 PolarHBondContact O-N 3.12Å; K337-N339 VanDerWaalsContact C-N 3.31Å; K337-Y340 VanDerWaalsContact O-O 3.06Å; K337-L345 HydrophobicContact CD-CD1 4.14Å; K337-L382 HydrophobicContact CB-CD1 3.43Å; K337-L382 VanDerWaalsContact CB-CD1 3.43Å; K337-L382 HydrophobicContact CG-CD1 4.33Å; K337-R385 WeakPolarHBondContact CE-O 3.33Å; K337-R385 HydrophobicContact CG-CB 3.76Å; K337-R385 PolarHBondContact NZ-O 3.38Å; K337-M386 HydrophobicContact CB-CG 4.21Å; K337-M386 HydrophobicContact CD-CG 3.86Å; K337-M386 HydrophobicContact CG-CG 3.72Å; K337-S389 WeakPolarHBondContact CE-OG 3.33Å
338T81.7Confident86.7Confident39 Ų3921.9 Ų21.924%0.23911%0.114CC..Hα-helixtrans-68.4-35.4178.1-60.10000111.5L242 A334 R335 R385L242-T338 VanDerWaalsContact O-CG2 3.25Å; L242-T338 WeakPolarHBondContact O-CG2 3.34Å; A334-T338 PolarHBondContact O-N 3.21Å; A334-T338 PolarHBondContact O-OG1 3.43Å; R335-T338 PolarHBondContact O-N 2.89Å; T338-R385 PolarHBondContact OG1-NH1 3.36Å
339N81.9Confident86.5Confident9 Ų930.4 Ų30.45%0.04815%0.151CC..Hα-helixtrans-94.2-40.2-176.8-168.614.5000113.1T244 A287 T289 R291 R335 K337T244-N339 HydrophobicContact CG2-CB 4.35Å; A287-N339 PolarHBondContact O-ND2 2.95Å; T289-N339 PolarHBondContact O-ND2 3.28Å; R291-N339 VanDerWaalsContact CD-O 3.28Å; R291-N339 WeakPolarHBondContact CD-O 3.34Å; R291-N339 PolarHBondContact N-OD1 3.05Å; R335-N339 WeakPolarHBondContact O-CB 3.45Å; R335-N339 PolarHBondContact O-N 3.46Å; K337-N339 VanDerWaalsContact C-N 3.31Å
340Y85.1Confident86.4Confident3 Ų333.7 Ų33.71%0.01217%0.166CC..SBendtrans-104.2145-176.6-58.9-80.6000112.5R291 R299 Y302 L303 L306 L336 K337R291-Y340 HydrophobicContact CB-CD1 4.49Å; R291-Y340 HydrophobicContact CB-CE1 4.36Å; R299-Y340 HydrophobicContact CG-CD1 4.23Å; R299-Y340 HydrophobicContact CG-CE1 3.89Å; Y302-Y340 WeakPolarHBondContact CD1-OH 3.04Å; Y302-Y340 VanDerWaalsContact CE1-OH 3.3Å; Y302-Y340 WeakPolarHBondContact CE1-OH 3.29Å; L303-Y340 HydrophobicContact CD1-CD1 4.17Å; L303-Y340 HydrophobicContact CD1-CD2 3.68Å; L303-Y340 HydrophobicContact CD1-CE1 4.47Å; L303-Y340 HydrophobicContact CD1-CE2 4.01Å; L303-Y340 HydrophobicContact CD1-CG 3.77Å; L303-Y340 HydrophobicContact CD2-CD1 4.16Å; L303-Y340 HydrophobicContact CD2-CG 4.19Å; L306-Y340 HydrophobicContact CD1-CE2 4.11Å; L336-Y340 WeakPolarHBondContact O-CB 3.46Å; L336-Y340 WeakPolarHBondContact O-CD2 3.45Å; L336-Y340 PolarHBondContact O-N 3.04Å; K337-Y340 VanDerWaalsContact O-O 3.06Å
341Q86.9Confident86.3Confident113 Ų11334.1 Ų34.153%0.52817%0.168SC..  trans-75.8149178.4-78.6167.1-10.500110.6G343 E344 L345Q341-G343 VanDerWaalsContact C-N 3.27Å; Q341-G343 PolarHBondContact O-N 3.42Å; Q341-E344 HydrophobicContact CB-CG 4.2Å; Q341-E344 PolarHBondContact N-OE2 3.22Å; Q341-E344 WeakPolarHBondContact O-CB 3.26Å; Q341-E344 PolarHBondContact O-N 3.12Å; Q341-L345 PolarHBondContact O-N 2.93Å
342L85Confident86.3Confident4 Ų435.7 Ų35.72%0.02118%0.182CC..Hα-helixtrans-58.7-40178.8179.759.2000111.9E344 L345 V346 M386 S389 V390 V393 L401L342-E344 PolarHBondContact O-N 3.14Å; L342-E344 VanDerWaalsContact O-N 3.12Å; L342-L345 PolarHBondContact O-N 3.33Å; L342-L345 VanDerWaalsContact O-N 3.12Å; L342-V346 HydrophobicContact CD1-CG2 3.95Å; L342-V346 HydrophobicContact CG-CG2 4.22Å; L342-V346 WeakPolarHBondContact O-CG2 3.41Å; L342-V346 PolarHBondContact O-N 2.89Å; L342-M386 WeakPolarHBondContact CD2-O 3.34Å; L342-S389 VanDerWaalsContact CB-OG 3.25Å; L342-S389 WeakPolarHBondContact CB-OG 3.1Å; L342-S389 VanDerWaalsContact CD2-OG 3.28Å; L342-S389 WeakPolarHBondContact CD2-OG 3.48Å; L342-V390 HydrophobicContact CD2-CG2 4.17Å; L342-V393 HydrophobicContact CB-CG2 3.92Å; L342-V393 HydrophobicContact CD2-CG2 3.59Å; L342-V393 HydrophobicContact CG-CG2 3.73Å; L342-L401 HydrophobicContact CD1-CD1 4.39Å; L342-L401 HydrophobicContact CD2-CD1 3.73Å
343G83.7Confident86.3Confident28 Ų2839.2 Ų39.229%0.28920%0.199SC..Hα-helixtrans-60.5-21.7175.500000114.4Q341 M347Q341-G343 VanDerWaalsContact C-N 3.27Å; Q341-G343 PolarHBondContact O-N 3.42Å; G343-M347 WeakPolarHBondContact O-CG 3.5Å
344E85.1Confident86.3Confident32 Ų3239.2 Ų39.215%0.1520%0.199CC..Hα-helixtrans-86.1-36.3175.7-61.1168.815400111.5R291 R299 L303 Q341 L342 M347R291-E344 IonicContact CZ-OE1 3.67Å; R291-E344 IonicContact CZ-OE2 2.85Å; R291-E344 VanDerWaalsContact NH1-CD 3.3Å; R291-E344 IonicContact NH1-OE1 3.85Å; R291-E344 PolarHBondContact NH1-OE1 3.17Å; R291-E344 VanDerWaalsContact NH1-OE1 3.12Å; R291-E344 IonicContact NH1-OE2 3.46Å; R291-E344 PolarHBondContact NH1-OE2 3.08Å; R291-E344 IonicContact NH2-OE1 3.63Å; R291-E344 PolarHBondContact NH2-OE1 3.2Å; R291-E344 VanDerWaalsContact NH2-OE1 3.07Å; R299-E344 IonicContact CZ-OE1 3.83Å; R299-E344 IonicContact NE-OE1 3.47Å; R299-E344 PolarHBondContact NE-OE1 2.87Å; R299-E344 IonicContact NH1-OE1 2.88Å; R299-E344 IonicContact NH2-OE1 3.1Å; R299-E344 PolarHBondContact NH2-OE1 3.37Å; L303-E344 HydrophobicContact CD2-CB 4.08Å; Q341-E344 HydrophobicContact CB-CG 4.2Å; Q341-E344 PolarHBondContact N-OE2 3.22Å; Q341-E344 WeakPolarHBondContact O-CB 3.26Å; Q341-E344 PolarHBondContact O-N 3.12Å; L342-E344 PolarHBondContact O-N 3.14Å; L342-E344 VanDerWaalsContact O-N 3.12Å; E344-M347 PolarHBondContact O-N 3.38Å
345L86.1Confident86.5Confident8 Ų839.4 Ų39.44%0.04220%0.2CC..Hα-helixtrans-63.8-44.4176.3-71.6167.1000111.4L303 I307 K337 Q341 L342 M347 V348 Y351L303-L345 HydrophobicContact CD1-CD2 3.86Å; L303-L345 HydrophobicContact CD2-CD2 4.08Å; L303-L345 HydrophobicContact CD2-CG 4.5Å; L303-L345 HydrophobicContact CG-CD2 4.34Å; I307-L345 HydrophobicContact CD1-CD2 3.97Å; K337-L345 HydrophobicContact CD-CD1 4.14Å; Q341-L345 PolarHBondContact O-N 2.93Å; L342-L345 PolarHBondContact O-N 3.33Å; L342-L345 VanDerWaalsContact O-N 3.12Å; L345-M347 PolarHBondContact O-N 2.69Å; L345-V348 WeakPolarHBondContact O-CB 3.15Å; L345-V348 PolarHBondContact O-N 2.91Å; L345-V348 VanDerWaalsContact O-N 3.14Å; L345-Y351 HydrophobicContact CB-CD2 4.11Å; L345-Y351 HydrophobicContact CB-CE2 4.06Å; L345-Y351 WeakPolarHBondContact O-CB 3.43Å; L345-Y351 WeakPolarHBondContact O-CD2 3.25Å
346V86.6Confident86.8Confident8 Ų843.6 Ų43.65%0.04822%0.216CC..THydrogen-bonded Turntrans-65.4-26.1-178.3179.20000112.1L342 V348 Y351 E397 H399L342-V346 HydrophobicContact CD1-CG2 3.95Å; L342-V346 HydrophobicContact CG-CG2 4.22Å; L342-V346 WeakPolarHBondContact O-CG2 3.41Å; L342-V346 PolarHBondContact O-N 2.89Å; V346-V348 VanDerWaalsContact C-N 3.26Å; V346-V348 PolarHBondContact O-N 3.13Å; V346-Y351 HydrophobicContact CB-CD1 4.5Å; V346-Y351 HydrophobicContact CB-CE1 4.45Å; V346-Y351 HydrophobicContact CG2-CD1 4.39Å; V346-Y351 HydrophobicContact CG2-CE1 3.87Å; V346-Y351 HydrophobicContact CG2-CE2 4.47Å; V346-E397 HydrophobicContact CG1-CB 3.55Å; V346-H399 HydrophobicContact CG2-CB 4.17Å
347M84.9Confident87.1Confident111 Ų11144.6 Ų44.655%0.54722%0.221SC..THydrogen-bonded Turntrans-77.4-7.9178.2-66.8-68172.700113.8G343 E344 L345 S395 E397G343-M347 WeakPolarHBondContact O-CG 3.5Å; E344-M347 PolarHBondContact O-N 3.38Å; L345-M347 PolarHBondContact O-N 2.69Å; M347-S395 WeakPolarHBondContact CE-OG 3.48Å; M347-E397 HydrophobicContact SD-CG 4.46Å
348V86.4Confident87.5Confident15 Ų1543.9 Ų43.99%0.09122%0.218CC..SBendtrans-77.7130.9177.1-178.20000109.3L303 I307 L345 V346 E350 Y351L303-V348 HydrophobicContact CD2-CG2 4.15Å; L303-V348 HydrophobicContact CG-CG2 4.13Å; I307-V348 HydrophobicContact CB-CG1 4.18Å; I307-V348 HydrophobicContact CG1-CG1 4.44Å; I307-V348 HydrophobicContact CG2-CG1 4.05Å; L345-V348 WeakPolarHBondContact O-CB 3.15Å; L345-V348 PolarHBondContact O-N 2.91Å; L345-V348 VanDerWaalsContact O-N 3.14Å; V346-V348 VanDerWaalsContact C-N 3.26Å; V346-V348 PolarHBondContact O-N 3.13Å; V348-E350 VanDerWaalsContact C-N 3.25Å; V348-E350 WeakPolarHBondContact CG1-OE2 3.26Å; V348-E350 PolarHBondContact O-N 2.99Å; V348-Y351 WeakPolarHBondContact O-CB 3.39Å; V348-Y351 PolarHBondContact O-N 3.35Å
349K85.4Confident88Confident190 Ų19042 Ų4283%0.82621%0.207SC*.THydrogen-bonded Turntrans-56.9-37.3-174.3-66.7-177.1177.8-1780113.3Y351K349-Y351 VanDerWaalsContact C-N 3.34Å
350E88.2Confident88.5Confident69 Ų6945.1 Ų45.132%0.32222%0.223SC..THydrogen-bonded Turntrans-84.7-3.4-178.2-61.279.7-175.600113.8I307 V348 E353 V354I307-E350 HydrophobicContact CG2-CB 4.32Å; V348-E350 VanDerWaalsContact C-N 3.25Å; V348-E350 WeakPolarHBondContact CG1-OE2 3.26Å; V348-E350 PolarHBondContact O-N 2.99Å; E350-E353 PolarHBondContact O-N 3.03Å; E350-V354 HydrophobicContact CB-CG2 4.43Å; E350-V354 WeakPolarHBondContact O-CG2 3.37Å; E350-V354 PolarHBondContact O-N 3.1Å; E350-V354 VanDerWaalsContact O-N 3.13Å
351Y89Confident88.8Confident9 Ų946.3 Ų46.34%0.03523%0.229CC..Hα-helixtrans-54.7-47-175.2174.1-94.5000114.3L345 V346 V348 K349 E353 V354 I355 H399L345-Y351 HydrophobicContact CB-CD2 4.11Å; L345-Y351 HydrophobicContact CB-CE2 4.06Å; L345-Y351 WeakPolarHBondContact O-CB 3.43Å; L345-Y351 WeakPolarHBondContact O-CD2 3.25Å; V346-Y351 HydrophobicContact CB-CD1 4.5Å; V346-Y351 HydrophobicContact CB-CE1 4.45Å; V346-Y351 HydrophobicContact CG2-CD1 4.39Å; V346-Y351 HydrophobicContact CG2-CE1 3.87Å; V346-Y351 HydrophobicContact CG2-CE2 4.47Å; V348-Y351 WeakPolarHBondContact O-CB 3.39Å; V348-Y351 PolarHBondContact O-N 3.35Å; K349-Y351 VanDerWaalsContact C-N 3.34Å; Y351-E353 VanDerWaalsContact C-N 3.26Å; Y351-E353 PolarHBondContact O-N 3.43Å; Y351-V354 PolarHBondContact O-N 3.4Å; Y351-I355 HydrophobicContact CE1-CB 4.39Å; Y351-I355 HydrophobicContact CE1-CG2 4.14Å; Y351-I355 HydrophobicContact CE2-CB 4.29Å; Y351-I355 WeakPolarHBondContact O-CG2 3.45Å; Y351-I355 PolarHBondContact O-N 3.18Å; Y351-H399 WeakPolarHBondContact CE1-O 3.34Å; Y351-H399 PolarHBondContact OH-O 2.95Å
352P89.3Confident89Confident68 Ų6841 Ų4144%0.44220%0.204SC..Hα-helixtrans-59-35.3-176.4-26.936.7000114.1I355 L400P352-I355 WeakPolarHBondContact O-CG2 3.35Å; P352-L400 HydrophobicContact CB-CD1 3.89Å
353E90.4Very high89.3Confident73 Ų7342.2 Ų42.234%0.34121%0.21SC..Hα-helixtrans-79.1-40.9178.9-170.5178.5178.100111.4K311 E350 Y351 R356 L357K311-E353 VanDerWaalsContact CE-CD 3.5Å; K311-E353 WeakPolarHBondContact CE-OE1 3.44Å; K311-E353 WeakPolarHBondContact CE-OE2 3.38Å; K311-E353 IonicContact NZ-OE1 3.55Å; K311-E353 PolarHBondContact NZ-OE1 2.95Å; K311-E353 VanDerWaalsContact NZ-OE1 3.12Å; K311-E353 IonicContact NZ-OE2 3.9Å; K311-E353 PolarHBondContact NZ-OE2 3.37Å; E350-E353 PolarHBondContact O-N 3.03Å; Y351-E353 VanDerWaalsContact C-N 3.26Å; Y351-E353 PolarHBondContact O-N 3.43Å; E353-R356 WeakPolarHBondContact O-CB 3.4Å; E353-R356 PolarHBondContact O-N 3.08Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 2.9Å; E353-L357 VanDerWaalsContact O-N 3.11Å
354V91.8Very high89.5Confident2 Ų244.3 Ų44.31%0.01222%0.217CC..Hα-helixtrans-67-42.4-179.7172.80000111.7I307 V310 K311 E350 Y351 R356 L357 I358I307-V354 HydrophobicContact CG2-CB 4.18Å; I307-V354 HydrophobicContact CG2-CG1 4.24Å; I307-V354 HydrophobicContact CG2-CG2 3.81Å; V310-V354 HydrophobicContact CB-CG1 4.43Å; V310-V354 HydrophobicContact CG1-CG1 3.85Å; K311-V354 HydrophobicContact CB-CG2 3.61Å; K311-V354 HydrophobicContact CD-CG2 4.3Å; K311-V354 HydrophobicContact CG-CG2 4Å; E350-V354 HydrophobicContact CB-CG2 4.43Å; E350-V354 WeakPolarHBondContact O-CG2 3.37Å; E350-V354 PolarHBondContact O-N 3.1Å; E350-V354 VanDerWaalsContact O-N 3.13Å; Y351-V354 PolarHBondContact O-N 3.4Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 3.36Å; V354-L357 PolarHBondContact O-N 2.89Å; V354-L357 VanDerWaalsContact O-N 3.15Å; V354-I358 HydrophobicContact CG1-CD1 3.71Å; V354-I358 HydrophobicContact CG1-CG1 4.2Å; V354-I358 VanDerWaalsContact O-CG1 3.32Å; V354-I358 WeakPolarHBondContact O-CG1 3.33Å; V354-I358 PolarHBondContact O-N 3.5Å
355I91.9Very high89.6Confident3 Ų343.1 Ų43.12%0.01521%0.213CC..Hα-helixtrans-63.5-36178.7-167.760.8000111.8Y351 P352 I358 A359 W383 M386 L400 L401 Y404Y351-I355 HydrophobicContact CE1-CB 4.39Å; Y351-I355 HydrophobicContact CE1-CG2 4.14Å; Y351-I355 HydrophobicContact CE2-CB 4.29Å; Y351-I355 WeakPolarHBondContact O-CG2 3.45Å; Y351-I355 PolarHBondContact O-N 3.18Å; P352-I355 WeakPolarHBondContact O-CG2 3.35Å; I355-I358 PolarHBondContact O-N 2.89Å; I355-A359 WeakPolarHBondContact O-CB 3.5Å; I355-A359 PolarHBondContact O-N 3Å; I355-W383 HydrophobicContact CD1-CH2 3.6Å; I355-W383 HydrophobicContact CD1-CZ2 4.22Å; I355-W383 HydrophobicContact CD1-CZ3 4.12Å; I355-W383 HydrophobicContact CG1-CH2 4.12Å; I355-M386 HydrophobicContact CD1-CE 3.89Å; I355-M386 HydrophobicContact CD1-SD 3.99Å; I355-L400 HydrophobicContact CG2-CB 4.37Å; I355-L400 HydrophobicContact CG2-CD1 4.04Å; I355-L401 HydrophobicContact CD1-CD2 4.29Å; I355-L401 HydrophobicContact CG1-CD2 4.48Å; I355-Y404 HydrophobicContact CG1-CD2 4.43Å; I355-Y404 HydrophobicContact CG2-CE2 4.14Å
356R93.2Very high89.5Confident100 Ų10043.1 Ų43.138%0.37721%0.212SC..Hα-helixtrans-62.3-45.5172.8-176.3-174.468.687.43111.6E353 V354 A359 N360 Y404E353-R356 WeakPolarHBondContact O-CB 3.4Å; E353-R356 PolarHBondContact O-N 3.08Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 3.36Å; R356-A359 PolarHBondContact O-N 2.71Å; R356-N360 PolarHBondContact O-N 2.95Å; R356-Y404 HydrophobicContact CB-CE1 4.4Å; R356-Y404 HydrophobicContact CB-CE2 4.41Å; R356-Y404 VanDerWaalsContact CB-OH 3.3Å; R356-Y404 WeakPolarHBondContact CB-OH 3.32Å; R356-Y404 HydrophobicContact CG-CE1 4.14Å; R356-Y404 VanDerWaalsContact CG-OH 3.3Å; R356-Y404 WeakPolarHBondContact CG-OH 3.38Å
357L92.8Very high89.4Confident27 Ų2747.4 Ų47.414%0.14123%0.232CC..Hα-helixtrans-64.9-41.2177.8-68.9173.2000111.6K311 L314 E315 E353 V354 A359 N360 F361K311-L357 HydrophobicContact CG-CD1 4.36Å; L314-L357 HydrophobicContact CB-CB 3.98Å; L314-L357 HydrophobicContact CB-CD1 4.04Å; L314-L357 HydrophobicContact CD1-CB 3.67Å; L314-L357 HydrophobicContact CG-CB 4.38Å; E315-L357 HydrophobicContact CG-CD1 4.23Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 2.9Å; E353-L357 VanDerWaalsContact O-N 3.11Å; V354-L357 PolarHBondContact O-N 2.89Å; V354-L357 VanDerWaalsContact O-N 3.15Å; L357-A359 VanDerWaalsContact C-N 3.34Å; L357-N360 PolarHBondContact O-N 3.45Å; L357-F361 WeakPolarHBondContact O-CB 3.46Å; L357-F361 PolarHBondContact O-N 3.49Å
358I93.1Very high89.1Confident11 Ų1146.9 Ų46.96%0.05623%0.228CC..Hα-helixtrans-63.2-41.2175.3-66.9169.5000110.7V310 L314 L333 V354 I355 F361 T362 L382 W383V310-I358 HydrophobicContact CG1-CD1 4.32Å; V310-I358 HydrophobicContact CG1-CG1 4.44Å; L314-I358 HydrophobicContact CD1-CG1 3.68Å; L333-I358 HydrophobicContact CD1-CG2 4.45Å; L333-I358 HydrophobicContact CD2-CD1 3.98Å; L333-I358 HydrophobicContact CD2-CG1 4.14Å; V354-I358 HydrophobicContact CG1-CD1 3.71Å; V354-I358 HydrophobicContact CG1-CG1 4.2Å; V354-I358 VanDerWaalsContact O-CG1 3.32Å; V354-I358 WeakPolarHBondContact O-CG1 3.33Å; V354-I358 PolarHBondContact O-N 3.5Å; I355-I358 PolarHBondContact O-N 2.89Å; I358-F361 PolarHBondContact O-N 2.92Å; I358-T362 WeakPolarHBondContact O-CB 3.37Å; I358-T362 PolarHBondContact O-N 3.33Å; I358-T362 PolarHBondContact O-OG1 2.68Å; I358-L382 HydrophobicContact CG2-CD2 4.13Å; I358-W383 HydrophobicContact CG2-CZ2 3.94Å
359A92.1Very high88.1Confident0 Ų048.2 Ų48.20%023%0.231CC..Hα-helixtrans-61.8-49.9176.600000111.4I355 R356 L357 F361 T362 I363 W383 Y404 I408I355-A359 WeakPolarHBondContact O-CB 3.5Å; I355-A359 PolarHBondContact O-N 3Å; R356-A359 PolarHBondContact O-N 2.71Å; L357-A359 VanDerWaalsContact C-N 3.34Å; A359-F361 VanDerWaalsContact C-N 3.34Å; A359-F361 PolarHBondContact O-N 2.98Å; A359-T362 WeakPolarHBondContact O-CB 3.48Å; A359-T362 PolarHBondContact O-N 3.1Å; A359-T362 VanDerWaalsContact O-N 3.15Å; A359-I363 WeakPolarHBondContact O-CG1 3.24Å; A359-I363 PolarHBondContact O-N 2.91Å; A359-W383 HydrophobicContact CB-CH2 3.99Å; A359-W383 HydrophobicContact CB-CZ2 3.98Å; A359-Y404 HydrophobicContact CB-CD1 3.56Å; A359-Y404 HydrophobicContact CB-CD2 4.4Å; A359-Y404 HydrophobicContact CB-CE1 4.28Å; A359-Y404 HydrophobicContact CB-CG 3.65Å; A359-I408 HydrophobicContact CB-CD1 4.48Å
360N91.9Very high87.1Confident74 Ų7444.9 Ų44.940%0.39622%0.219SC..Hα-helixtrans-59.1-44.9176.5-72.6-7.9000111.8R356 L357 T362 I363 T364R356-N360 PolarHBondContact O-N 2.95Å; L357-N360 PolarHBondContact O-N 3.45Å; N360-T362 VanDerWaalsContact C-N 3.32Å; N360-T362 PolarHBondContact O-N 3.45Å; N360-I363 PolarHBondContact O-N 3.34Å; N360-T364 PolarHBondContact O-N 3.16Å; N360-T364 PolarHBondContact O-OG1 3.33Å; N360-T364 VanDerWaalsContact O-OG1 3.08Å
361F91.2Very high85.8Confident28 Ų2848 Ų4812%0.12323%0.231CC..Hα-helixtrans-60.2-42.3175.7175.4-104000112L314 L320 Y326 F329 L333 L357 I358 A359 S365 L379L314-F361 HydrophobicContact CD2-CB 3.94Å; L314-F361 HydrophobicContact CD2-CD2 4.29Å; L314-F361 HydrophobicContact CD2-CG 4.03Å; L320-F361 HydrophobicContact CD1-CD2 4.31Å; L320-F361 HydrophobicContact CD1-CE2 3.79Å; L320-F361 HydrophobicContact CD1-CZ 4.41Å; Y326-F361 HydrophobicContact CD2-CE2 4Å; Y326-F361 AromaticContact CD2-CZ 3.7Å; Y326-F361 HydrophobicContact CD2-CZ 3.7Å; Y326-F361 HydrophobicContact CE2-CE1 4.23Å; Y326-F361 AromaticContact CE2-CE2 3.64Å; Y326-F361 HydrophobicContact CE2-CE2 3.64Å; Y326-F361 AromaticContact CE2-CZ 3.26Å; Y326-F361 HydrophobicContact CE2-CZ 3.26Å; F329-F361 HydrophobicContact CD1-CE1 4.02Å; F329-F361 AromaticContact CD1-CZ 3.93Å; F329-F361 HydrophobicContact CD1-CZ 3.93Å; F329-F361 HydrophobicContact CE1-CD1 4.42Å; F329-F361 HydrophobicContact CE1-CE1 4.14Å; F329-F361 HydrophobicContact CE1-CZ 4.3Å; L333-F361 HydrophobicContact CD1-CD1 4.2Å; L333-F361 HydrophobicContact CD1-CE1 4.22Å; L357-F361 WeakPolarHBondContact O-CB 3.46Å; L357-F361 PolarHBondContact O-N 3.49Å; I358-F361 PolarHBondContact O-N 2.92Å; A359-F361 VanDerWaalsContact C-N 3.34Å; A359-F361 PolarHBondContact O-N 2.98Å; F361-S365 WeakPolarHBondContact O-CB 3.48Å; F361-S365 PolarHBondContact O-N 2.94Å; F361-S365 PolarHBondContact O-OG 2.93Å; F361-L379 HydrophobicContact CD1-CD2 4.42Å; F361-L379 HydrophobicContact CE1-CD1 4.15Å; F361-L379 HydrophobicContact CE1-CD2 4.11Å
362T90.9Very high84.6Confident0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-64-43.9177.3-54.80000111I358 A359 N360 S365 L366 L379 W383 I408I358-T362 WeakPolarHBondContact O-CB 3.37Å; I358-T362 PolarHBondContact O-N 3.33Å; I358-T362 PolarHBondContact O-OG1 2.68Å; A359-T362 WeakPolarHBondContact O-CB 3.48Å; A359-T362 PolarHBondContact O-N 3.1Å; A359-T362 VanDerWaalsContact O-N 3.15Å; N360-T362 VanDerWaalsContact C-N 3.32Å; N360-T362 PolarHBondContact O-N 3.45Å; T362-S365 WeakPolarHBondContact O-CB 3.45Å; T362-S365 PolarHBondContact O-N 2.77Å; T362-L366 HydrophobicContact CG2-CD1 4.07Å; T362-L366 HydrophobicContact CG2-CG 4.37Å; T362-L366 VanDerWaalsContact O-CG 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.38Å; T362-L366 PolarHBondContact O-N 2.86Å; T362-L379 HydrophobicContact CG2-CB 4.31Å; T362-L379 HydrophobicContact CG2-CD1 4.5Å; T362-W383 PolarHBondContact OG1-NE1 3.15Å; T362-I408 HydrophobicContact CG2-CD1 4.42Å; T362-I408 HydrophobicContact CG2-CG1 4.33Å; T362-I408 HydrophobicContact CG2-CG2 4.01Å
363I90.8Very high83.4Confident31 Ų3148.8 Ų48.816%0.15924%0.24CC..Hα-helixtrans-61.8-49.7178.7-69.4164.4000110.7A359 N360 S365 L366 Q367 E407 I408 A411A359-I363 WeakPolarHBondContact O-CG1 3.24Å; A359-I363 PolarHBondContact O-N 2.91Å; N360-I363 PolarHBondContact O-N 3.34Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-S365 PolarHBondContact O-N 3.34Å; I363-L366 PolarHBondContact O-N 3.09Å; I363-Q367 WeakPolarHBondContact O-CG 3.41Å; I363-Q367 PolarHBondContact O-N 3.23Å; I363-Q367 VanDerWaalsContact O-N 3.11Å; I363-E407 HydrophobicContact CD1-CB 3.98Å; I363-I408 HydrophobicContact CG1-CG1 4.07Å; I363-A411 HydrophobicContact CB-CB 4.34Å; I363-A411 HydrophobicContact CG1-CB 4.17Å; I363-A411 HydrophobicContact CG2-CB 3.88Å
364T88.1Confident82.6Confident71 Ų7150.9 Ų50.944%0.43625%0.253SS..Hα-helixtrans-60.9-40177.5-540000111.6N360 Q367 H368N360-T364 PolarHBondContact O-N 3.16Å; N360-T364 PolarHBondContact O-OG1 3.33Å; N360-T364 VanDerWaalsContact O-OG1 3.08Å; T364-Q367 PolarHBondContact O-N 3.22Å; T364-H368 PolarHBondContact O-N 3.48Å; T364-H368 VanDerWaalsContact O-N 3.15Å; T364-H368 PolarHBondContact O-ND1 2.88Å
365S87.1Confident82.1Confident8 Ų850.9 Ų50.96%0.05625%0.253CS..Hα-helixtrans-62.2-41.9177-69.10000112.9Y326 F361 T362 I363 Q367 H368Y326-S365 WeakPolarHBondContact CE2-OG 3.48Å; Y326-S365 WeakPolarHBondContact OH-CB 3.47Å; Y326-S365 PolarHBondContact OH-OG 3.15Å; F361-S365 WeakPolarHBondContact O-CB 3.48Å; F361-S365 PolarHBondContact O-N 2.94Å; F361-S365 PolarHBondContact O-OG 2.93Å; T362-S365 WeakPolarHBondContact O-CB 3.45Å; T362-S365 PolarHBondContact O-N 2.77Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-S365 PolarHBondContact O-N 3.34Å; S365-Q367 VanDerWaalsContact C-N 3.33Å; S365-H368 PolarHBondContact O-N 3.3Å
366L85.8Confident81.6Confident7 Ų751 Ų514%0.03725%0.254CS..Hα-helixtrans-69.2-31.8178.5-71.9175.1000112.3T362 I363 V376 I408 F412 S415T362-L366 HydrophobicContact CG2-CD1 4.07Å; T362-L366 HydrophobicContact CG2-CG 4.37Å; T362-L366 VanDerWaalsContact O-CG 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.38Å; T362-L366 PolarHBondContact O-N 2.86Å; I363-L366 PolarHBondContact O-N 3.09Å; L366-V376 HydrophobicContact CD2-CG1 3.55Å; L366-I408 HydrophobicContact CD1-CG2 3.86Å; L366-F412 HydrophobicContact CD1-CB 4.07Å; L366-F412 HydrophobicContact CD1-CD2 4.42Å; L366-F412 HydrophobicContact CD2-CD2 3.77Å; L366-F412 HydrophobicContact CD2-CE2 4.45Å; L366-S415 VanDerWaalsContact O-CB 3.28Å; L366-S415 WeakPolarHBondContact O-CB 3.44Å; L366-S415 PolarHBondContact O-OG 3.36Å
367Q83.5Confident81.3Confident99 Ų9947.6 Ų47.646%0.46324%0.242SC..Hα-helixtrans-70.8-35.3175.6-70.5171-16.300112.2I363 T364 S365 W369I363-Q367 WeakPolarHBondContact O-CG 3.41Å; I363-Q367 PolarHBondContact O-N 3.23Å; I363-Q367 VanDerWaalsContact O-N 3.11Å; T364-Q367 PolarHBondContact O-N 3.22Å; S365-Q367 VanDerWaalsContact C-N 3.33Å; Q367-W369 VanDerWaalsContact C-N 3.34Å; Q367-W369 PolarHBondContact O-N 2.79Å
368H78.4Confident81.1Confident99 Ų9947.4 Ų47.446%0.45824%0.24SC..  trans-92.761.2178.6-64.882.8000111.4T364 S365 E370 F371T364-H368 PolarHBondContact O-N 3.48Å; T364-H368 VanDerWaalsContact O-N 3.15Å; T364-H368 PolarHBondContact O-ND1 2.88Å; S365-H368 PolarHBondContact O-N 3.3Å; H368-E370 PolarHBondContact O-N 2.78Å; H368-E370 VanDerWaalsContact O-N 3.13Å; H368-F371 HydrophobicContact CB-CD2 3.92Å; H368-F371 PolarHBondContact O-N 3.15Å
369W66Low80.9Confident43 Ų4346.9 Ų46.916%0.16324%0.237CC..THydrogen-bonded Turntrans-62.5-20.6-174.459.9-90.5000114.5Q367 F371 I422 V423 L428Q367-W369 VanDerWaalsContact C-N 3.34Å; Q367-W369 PolarHBondContact O-N 2.79Å; W369-F371 VanDerWaalsContact C-N 3.32Å; W369-F371 PolarHBondContact O-N 3.33Å; W369-I422 HydrophobicContact CZ2-CB 4.29Å; W369-I422 HydrophobicContact CZ2-CD1 4.34Å; W369-I422 HydrophobicContact CZ2-CG2 4.14Å; W369-V423 HydrophobicContact CH2-CG2 3.96Å; W369-V423 HydrophobicContact CZ3-CG2 4.5Å; W369-L428 HydrophobicContact CH2-CD1 3.98Å
370E64.8Low80.7Confident121 Ų12146.9 Ų46.957%0.56524%0.237SC*.THydrogen-bonded Turntrans-68.6-25.5-179.7-62.6174-176.800113.6H368H368-E370 PolarHBondContact O-N 2.78Å; H368-E370 VanDerWaalsContact O-N 3.13Å
371F60.4Low80.6Confident133 Ų13343.6 Ų43.658%0.58322%0.22SC*.SBendtrans-85.6-29.3-164.1-79.2-94.4000115H368 W369H368-F371 HydrophobicContact CB-CD2 3.92Å; H368-F371 PolarHBondContact O-N 3.15Å; W369-F371 VanDerWaalsContact C-N 3.32Å; W369-F371 PolarHBondContact O-N 3.33Å
372A62.5Low80.6Confident18 Ų1842.5 Ų42.515%0.14922%0.215CC..  trans-171.291.8175.100000114.1Y326 N374 S375Y326-A372 HydrophobicContact CD1-CB 4.12Å; Y326-A372 HydrophobicContact CE1-CB 4.03Å; A372-N374 VanDerWaalsContact C-N 3.32Å; A372-N374 PolarHBondContact O-N 3.37Å; A372-S375 WeakPolarHBondContact CB-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.45Å
373P64.8Low80.6Confident77 Ų7742.5 Ų42.550%0.522%0.215SC..Hα-helixtrans-63-35.7179.223.6-32.7000113.1S375 V376P373-S375 VanDerWaalsContact C-N 3.29Å; P373-S375 PolarHBondContact O-N 3.17Å; P373-V376 PolarHBondContact O-N 2.71Å
374N73.4Confident80.5Confident117 Ų11743 Ų4363%0.62622%0.217SC*.Hα-helixtrans-70-23.9-179.5-65.5-19.7000113.2A372A372-N374 VanDerWaalsContact C-N 3.32Å; A372-N374 PolarHBondContact O-N 3.37Å
375S81.6Confident80.5Confident1 Ų143.2 Ų43.21%0.00721%0.21CC..Hα-helixtrans-80.2-30.9-179.6-59.50000112.6H327 A372 P373 H377 Y378H327-S375 WeakPolarHBondContact CA-OG 3.23Å; H327-S375 PolarHBondContact ND1-OG 2.99Å; A372-S375 WeakPolarHBondContact CB-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.45Å; P373-S375 VanDerWaalsContact C-N 3.29Å; P373-S375 PolarHBondContact O-N 3.17Å; S375-H377 PolarHBondContact O-N 3.49Å; S375-Y378 PolarHBondContact O-N 3.25Å; S375-Y378 VanDerWaalsContact O-N 3.15Å
376V82.3Confident80.6Confident6 Ų643.1 Ų43.14%0.03621%0.208CC..Hα-helixtrans-60.3-34.9-179.8174.30000111.5L366 P373 Y378 L379 L380L366-V376 HydrophobicContact CD2-CG1 3.55Å; P373-V376 PolarHBondContact O-N 2.71Å; V376-Y378 VanDerWaalsContact C-N 3.28Å; V376-Y378 PolarHBondContact O-N 3.3Å; V376-L379 PolarHBondContact O-N 3.27Å; V376-L379 VanDerWaalsContact O-N 3.11Å; V376-L380 HydrophobicContact CG1-CD1 3.89Å; V376-L380 HydrophobicContact CG1-CG 4.03Å; V376-L380 PolarHBondContact O-N 3.37Å
377H85.8Confident80.6Confident28 Ų2843.4 Ų43.413%0.1321%0.21CC..Hα-helixtrans-51.8-44.1175172.387.9000112.8S375 L380 T381 Q440 Q444S375-H377 PolarHBondContact O-N 3.49Å; H377-L380 PolarHBondContact O-N 2.93Å; H377-T381 WeakPolarHBondContact O-CB 3.34Å; H377-T381 PolarHBondContact O-N 2.93Å; H377-T381 PolarHBondContact O-OG1 3.02Å; H377-Q440 PolarHBondContact CE1-NE2 2.97Å; H377-Q440 VanDerWaalsContact ND1-CD 3.26Å; H377-Q440 PolarHBondContact ND1-OE1 3.3Å; H377-Q444 PolarHBondContact CE1-NE2 3.2Å; H377-Q444 PolarHBondContact ND1-NE2 2.83Å
378Y87.8Confident80.7Confident23 Ų2341 Ų419%0.0921%0.207CC..Hα-helixtrans-67.4-38.8-179.9-65.5-72.9000111.9D241 H327 C330 R331 A334 S375 V376 L382D241-Y378 PolarHBondContact OD2-OH 3.41Å; H327-Y378 AromaticContact CE1-CE2 3.67Å; C330-Y378 WeakPolarHBondContact O-CB 3.29Å; R331-Y378 HydrophobicContact CG-CD1 4.15Å; R331-Y378 HydrophobicContact CG-CD2 3.83Å; R331-Y378 HydrophobicContact CG-CE1 3.89Å; R331-Y378 HydrophobicContact CG-CE2 3.56Å; R331-Y378 HydrophobicContact CG-CG 4.12Å; A334-Y378 HydrophobicContact CB-CD1 4.1Å; A334-Y378 HydrophobicContact CB-CG 4.44Å; A334-Y378 WeakPolarHBondContact CB-O 3.4Å; S375-Y378 PolarHBondContact O-N 3.25Å; S375-Y378 VanDerWaalsContact O-N 3.15Å; V376-Y378 VanDerWaalsContact C-N 3.28Å; V376-Y378 PolarHBondContact O-N 3.3Å; Y378-L382 WeakPolarHBondContact O-CB 3.38Å; Y378-L382 PolarHBondContact O-N 2.93Å
379L89.8Confident81Confident0 Ų037.2 Ų37.20%019%0.192CC..Hα-helixtrans-66.9-46177-62.3-179.9000111.4C330 L333 F361 T362 V376 T381 L382 W383C330-L379 HydrophobicContact CB-CD2 4.23Å; C330-L379 HydrophobicContact CB-CG 4.28Å; L333-L379 HydrophobicContact CD1-CD2 3.94Å; F361-L379 HydrophobicContact CD1-CD2 4.42Å; F361-L379 HydrophobicContact CE1-CD1 4.15Å; F361-L379 HydrophobicContact CE1-CD2 4.11Å; T362-L379 HydrophobicContact CG2-CB 4.31Å; T362-L379 HydrophobicContact CG2-CD1 4.5Å; V376-L379 PolarHBondContact O-N 3.27Å; V376-L379 VanDerWaalsContact O-N 3.11Å; L379-T381 PolarHBondContact O-N 2.91Å; L379-L382 WeakPolarHBondContact O-CB 3.3Å; L379-L382 PolarHBondContact O-N 3.32Å; L379-W383 PolarHBondContact O-N 3.39Å; L379-W383 VanDerWaalsContact O-N 3.13Å
380L88.8Confident81.9Confident1 Ų136.9 Ų36.91%0.00519%0.194CC..Hα-helixtrans-63.9-40.9176.7-67.6178.8000111.7V376 H377 L382 W383 Q384 F412 Q441 Q444V376-L380 HydrophobicContact CG1-CD1 3.89Å; V376-L380 HydrophobicContact CG1-CG 4.03Å; V376-L380 PolarHBondContact O-N 3.37Å; H377-L380 PolarHBondContact O-N 2.93Å; L380-L382 VanDerWaalsContact C-N 3.3Å; L380-L382 PolarHBondContact O-N 3.46Å; L380-W383 PolarHBondContact O-N 3.27Å; L380-Q384 VanDerWaalsContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CB 3.42Å; L380-Q384 PolarHBondContact O-N 3.27Å; L380-F412 HydrophobicContact CD1-CD2 4.31Å; L380-F412 HydrophobicContact CD1-CE2 3.87Å; L380-F412 HydrophobicContact CD2-CD2 4.31Å; L380-Q441 HydrophobicContact CD1-CB 4.01Å; L380-Q441 HydrophobicContact CD1-CG 4.07Å; L380-Q444 HydrophobicContact CB-CB 3.89Å
381T88.8Confident82.5Confident4 Ų435.7 Ų35.73%0.02520%0.197CC..Hα-helixtrans-58.7-42.3174-57.50000112L242 H377 L379 R385 Q444L242-T381 HydrophobicContact CD1-CG2 3.87Å; L242-T381 HydrophobicContact CD2-CG2 4.48Å; H377-T381 WeakPolarHBondContact O-CB 3.34Å; H377-T381 PolarHBondContact O-N 2.93Å; H377-T381 PolarHBondContact O-OG1 3.02Å; L379-T381 PolarHBondContact O-N 2.91Å; T381-R385 HydrophobicContact CG2-CG 4.34Å; T381-R385 WeakPolarHBondContact O-CB 3.2Å; T381-R385 WeakPolarHBondContact O-CG 3.16Å; T381-R385 PolarHBondContact O-N 2.84Å; T381-Q444 PolarHBondContact OG1-NE2 2.91Å
382L90.4Very high83.4Confident6 Ų637.6 Ų37.63%0.03121%0.206CC..Hα-helixtrans-57.6-53176.4168.762.1000110.5L333 K337 I358 Y378 L379 L380 R385 M386L333-L382 HydrophobicContact CB-CD2 3.85Å; K337-L382 HydrophobicContact CB-CD1 3.43Å; K337-L382 VanDerWaalsContact CB-CD1 3.43Å; K337-L382 HydrophobicContact CG-CD1 4.33Å; I358-L382 HydrophobicContact CG2-CD2 4.13Å; Y378-L382 WeakPolarHBondContact O-CB 3.38Å; Y378-L382 PolarHBondContact O-N 2.93Å; L379-L382 WeakPolarHBondContact O-CB 3.3Å; L379-L382 PolarHBondContact O-N 3.32Å; L380-L382 VanDerWaalsContact C-N 3.3Å; L380-L382 PolarHBondContact O-N 3.46Å; L382-R385 PolarHBondContact O-N 3.24Å; L382-M386 HydrophobicContact CD1-CE 3.67Å; L382-M386 HydrophobicContact CD1-CG 4.09Å; L382-M386 HydrophobicContact CD1-SD 4.07Å; L382-M386 HydrophobicContact CD2-CE 4.01Å; L382-M386 HydrophobicContact CG-CE 3.46Å; L382-M386 VanDerWaalsContact CG-CE 3.46Å; L382-M386 WeakPolarHBondContact O-CB 3.27Å; L382-M386 VanDerWaalsContact O-CG 3.3Å; L382-M386 WeakPolarHBondContact O-CG 3.46Å; L382-M386 PolarHBondContact O-N 2.9Å
383W91.9Very high84.1Confident0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-65.3-42.9-179.4-73106.2000112.6I355 I358 A359 T362 L379 L380 R385 M386 V387 L401 I408 V448I355-W383 HydrophobicContact CD1-CH2 3.6Å; I355-W383 HydrophobicContact CD1-CZ2 4.22Å; I355-W383 HydrophobicContact CD1-CZ3 4.12Å; I355-W383 HydrophobicContact CG1-CH2 4.12Å; I358-W383 HydrophobicContact CG2-CZ2 3.94Å; A359-W383 HydrophobicContact CB-CH2 3.99Å; A359-W383 HydrophobicContact CB-CZ2 3.98Å; T362-W383 PolarHBondContact OG1-NE1 3.15Å; L379-W383 PolarHBondContact O-N 3.39Å; L379-W383 VanDerWaalsContact O-N 3.13Å; L380-W383 PolarHBondContact O-N 3.27Å; W383-R385 PolarHBondContact O-N 3.35Å; W383-M386 HydrophobicContact CD2-CE 3.73Å; W383-M386 HydrophobicContact CE3-CE 3.71Å; W383-M386 HydrophobicContact CG-CE 4.33Å; W383-M386 HydrophobicContact CH2-CE 4.2Å; W383-M386 HydrophobicContact CZ2-CE 4.19Å; W383-M386 HydrophobicContact CZ3-CE 3.98Å; W383-M386 PolarHBondContact O-N 2.91Å; W383-V387 WeakPolarHBondContact O-CG2 3.48Å; W383-V387 PolarHBondContact O-N 3.41Å; W383-L401 HydrophobicContact CE3-CD2 4.09Å; W383-L401 HydrophobicContact CH2-CD2 4.48Å; W383-L401 HydrophobicContact CZ3-CD2 3.54Å; W383-I408 HydrophobicContact CD2-CD1 3.4Å; W383-I408 HydrophobicContact CE3-CD1 3.75Å; W383-I408 HydrophobicContact CG-CD1 3.99Å; W383-I408 HydrophobicContact CH2-CD1 3.66Å; W383-I408 HydrophobicContact CZ2-CD1 3.31Å; W383-I408 HydrophobicContact CZ3-CD1 3.84Å; W383-V448 HydrophobicContact CB-CG1 4.4Å; W383-V448 HydrophobicContact CB-CG2 3.81Å
384Q89.6Confident84.4Confident42 Ų4244.5 Ų44.520%0.19623%0.227CC..Hα-helixtrans-54.4-51.8174.4-175.1-16421.800110.8L380 M386 V387 A388 E443 Q444 V448L380-Q384 VanDerWaalsContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CB 3.42Å; L380-Q384 PolarHBondContact O-N 3.27Å; Q384-M386 VanDerWaalsContact C-N 3.34Å; Q384-M386 PolarHBondContact O-N 3.09Å; Q384-V387 PolarHBondContact O-N 3.29Å; Q384-A388 WeakPolarHBondContact O-CB 3.19Å; Q384-A388 PolarHBondContact O-N 3.14Å; Q384-E443 PolarHBondContact NE2-O 2.92Å; Q384-Q444 HydrophobicContact CB-CB 4.49Å; Q384-Q444 WeakPolarHBondContact CB-O 3.21Å; Q384-Q444 WeakPolarHBondContact CG-O 3.31Å; Q384-V448 HydrophobicContact CB-CG2 4.31Å
385R87.8Confident84.1Confident75 Ų7540.2 Ų40.228%0.28321%0.206SC..Hα-helixtrans-69-30.7-179.4-70.3-176.7177.9-172.9-2.4112.7K337 T338 T381 L382 W383 S389K337-R385 WeakPolarHBondContact CE-O 3.33Å; K337-R385 HydrophobicContact CG-CB 3.76Å; K337-R385 PolarHBondContact NZ-O 3.38Å; T338-R385 PolarHBondContact OG1-NH1 3.36Å; T381-R385 HydrophobicContact CG2-CG 4.34Å; T381-R385 WeakPolarHBondContact O-CB 3.2Å; T381-R385 WeakPolarHBondContact O-CG 3.16Å; T381-R385 PolarHBondContact O-N 2.84Å; L382-R385 PolarHBondContact O-N 3.24Å; W383-R385 PolarHBondContact O-N 3.35Å; R385-S389 PolarHBondContact O-N 3.31Å; R385-S389 PolarHBondContact O-OG 3.42Å
386M88Confident83.5Confident6 Ų646.7 Ų46.73%0.0325%0.246CC..Hα-helixtrans-65.7-55.8173.2-77.3-161.7-7500110.6K337 L342 I355 L382 W383 Q384 A388 S389 L401K337-M386 HydrophobicContact CB-CG 4.21Å; K337-M386 HydrophobicContact CD-CG 3.86Å; K337-M386 HydrophobicContact CG-CG 3.72Å; L342-M386 WeakPolarHBondContact CD2-O 3.34Å; I355-M386 HydrophobicContact CD1-CE 3.89Å; I355-M386 HydrophobicContact CD1-SD 3.99Å; L382-M386 HydrophobicContact CD1-CE 3.67Å; L382-M386 HydrophobicContact CD1-CG 4.09Å; L382-M386 HydrophobicContact CD1-SD 4.07Å; L382-M386 HydrophobicContact CD2-CE 4.01Å; L382-M386 HydrophobicContact CG-CE 3.46Å; L382-M386 VanDerWaalsContact CG-CE 3.46Å; L382-M386 WeakPolarHBondContact O-CB 3.27Å; L382-M386 VanDerWaalsContact O-CG 3.3Å; L382-M386 WeakPolarHBondContact O-CG 3.46Å; L382-M386 PolarHBondContact O-N 2.9Å; W383-M386 HydrophobicContact CD2-CE 3.73Å; W383-M386 HydrophobicContact CE3-CE 3.71Å; W383-M386 HydrophobicContact CG-CE 4.33Å; W383-M386 HydrophobicContact CH2-CE 4.2Å; W383-M386 HydrophobicContact CZ2-CE 4.19Å; W383-M386 HydrophobicContact CZ3-CE 3.98Å; W383-M386 PolarHBondContact O-N 2.91Å; Q384-M386 VanDerWaalsContact C-N 3.34Å; Q384-M386 PolarHBondContact O-N 3.09Å; M386-A388 PolarHBondContact O-N 2.95Å; M386-S389 PolarHBondContact O-N 3Å; M386-S389 VanDerWaalsContact O-N 3.1Å; M386-S389 PolarHBondContact O-OG 3.42Å; M386-L401 HydrophobicContact CB-CD1 3.96Å; M386-L401 HydrophobicContact CB-CD2 4.19Å; M386-L401 HydrophobicContact SD-CD2 4.23Å
387V87.1Confident83.1Confident13 Ų1351.5 Ų51.58%0.07927%0.268CS..Hα-helixtrans-62.2-44.1-179.3175.60000111.7W383 Q384 S389 V390 A405 T447 C451W383-V387 WeakPolarHBondContact O-CG2 3.48Å; W383-V387 PolarHBondContact O-N 3.41Å; Q384-V387 PolarHBondContact O-N 3.29Å; V387-S389 PolarHBondContact O-N 3.22Å; V387-V390 WeakPolarHBondContact O-CB 3.42Å; V387-V390 WeakPolarHBondContact O-CG2 3.48Å; V387-V390 PolarHBondContact O-N 3.2Å; V387-A405 HydrophobicContact CG2-CB 4.1Å; V387-T447 HydrophobicContact CB-CG2 4.4Å; V387-T447 HydrophobicContact CG1-CG2 4.12Å; V387-T447 WeakPolarHBondContact CG1-O 2.99Å; V387-C451 HydrophobicContact CG1-CB 3.82Å; V387-C451 HydrophobicContact CG2-CB 4.37Å
388A85.6Confident82.8Confident48 Ų4854 Ų5440%0.39729%0.287SS..Hα-helixtrans-57.2-26.2176.900000113.4Q384 M386 T447Q384-A388 WeakPolarHBondContact O-CB 3.19Å; Q384-A388 PolarHBondContact O-N 3.14Å; M386-A388 PolarHBondContact O-N 2.95Å; A388-T447 HydrophobicContact CB-CG2 4.02Å
389S84.7Confident82.6Confident19 Ų1954.6 Ų54.613%0.13329%0.29CS..Hα-helixtrans-88.5-10.5-179.362.80000114.7K337 L342 R385 M386 V387 P391 F392K337-S389 WeakPolarHBondContact CE-OG 3.33Å; L342-S389 VanDerWaalsContact CB-OG 3.25Å; L342-S389 WeakPolarHBondContact CB-OG 3.1Å; L342-S389 VanDerWaalsContact CD2-OG 3.28Å; L342-S389 WeakPolarHBondContact CD2-OG 3.48Å; R385-S389 PolarHBondContact O-N 3.31Å; R385-S389 PolarHBondContact O-OG 3.42Å; M386-S389 PolarHBondContact O-N 3Å; M386-S389 VanDerWaalsContact O-N 3.1Å; M386-S389 PolarHBondContact O-OG 3.42Å; V387-S389 PolarHBondContact O-N 3.22Å; S389-P391 VanDerWaalsContact C-CD 3.47Å; S389-F392 PolarHBondContact O-N 3.45Å
390V83.8Confident82.4Confident36 Ų3657 Ų5722%0.21830%0.303CS..G310 helixtrans-52.8-46.4-179.11730000112.9L342 V387 F392 V393 L401L342-V390 HydrophobicContact CD2-CG2 4.17Å; V387-V390 WeakPolarHBondContact O-CB 3.42Å; V387-V390 WeakPolarHBondContact O-CG2 3.48Å; V387-V390 PolarHBondContact O-N 3.2Å; V390-F392 PolarHBondContact O-N 2.98Å; V390-V393 PolarHBondContact O-N 3.47Å; V390-V393 VanDerWaalsContact O-N 3.1Å; V390-L401 HydrophobicContact CG2-CD1 3.56Å
391P78Confident82.3Confident96 Ų9656.9 Ų56.962%0.62330%0.302SS*.G310 helixtrans-61.5-19-179.2-23.234.8000114.4S389S389-P391 VanDerWaalsContact C-CD 3.47Å
392F78.6Confident82.1Confident173 Ų17359.6 Ų59.676%0.75932%0.316SS*.G310 helixtrans-99.5-2.9-176.3-54.5-76.9000113.1S389 V390 K394S389-F392 PolarHBondContact O-N 3.45Å; V390-F392 PolarHBondContact O-N 2.98Å; F392-K394 PolarHBondContact O-N 2.87Å
393V78.1Confident82Confident32 Ų3263.4 Ų63.419%0.19434%0.34CS..  trans-80.7117.2179.7176.80000109.6L342 V390L342-V393 HydrophobicContact CB-CG2 3.92Å; L342-V393 HydrophobicContact CD2-CG2 3.59Å; L342-V393 HydrophobicContact CG-CG2 3.73Å; V390-V393 PolarHBondContact O-N 3.47Å; V390-V393 VanDerWaalsContact O-N 3.1Å
394K70.6Confident81.9Confident209 Ų20965.3 Ų65.391%0.90935%0.347SS*.  trans-98.610.1173.9-59.6-174.8-179.9-176.90113.4F392F392-K394 PolarHBondContact O-N 2.87Å
395S68.1Low81.9Confident27 Ų2763.3 Ų63.319%0.18934%0.338CS..  trans-68.7144.5-178178.30000111.2M347 E397M347-S395 WeakPolarHBondContact CE-OG 3.48Å; S395-E397 VanDerWaalsContact C-N 3.35Å; S395-E397 PolarHBondContact OG-N 3.26Å; S395-E397 VanDerWaalsContact OG-N 3.15Å
396T67.6Low81.9Confident137 Ų13760.4 Ų60.484%0.8433%0.329SS*.SBendtrans-77.1-21.8171.248.90000113.1
397E73.5Confident82.1Confident107 Ų10764.6 Ų64.650%0.535%0.349SS..SBendtrans-79.7141.9-179.4-67.2-62.3149.800111.9V346 M347 S395V346-E397 HydrophobicContact CG1-CB 3.55Å; M347-E397 HydrophobicContact SD-CG 4.46Å; S395-E397 VanDerWaalsContact C-N 3.35Å; S395-E397 PolarHBondContact OG-N 3.26Å; S395-E397 VanDerWaalsContact OG-N 3.15Å
398P80.6Confident82.3Confident80 Ų8064 Ų6452%0.51935%0.345SS..  trans-71.6131.5-17629.3-34.2000111.9L400P398-L400 HydrophobicContact CB-CD2 4.37Å
399H82.7Confident82.5Confident36 Ų3661.7 Ų61.717%0.16733%0.326CS..  trans-77.2-18.6179.450.581.9000114.2V346 Y351 L401 D402V346-H399 HydrophobicContact CG2-CB 4.17Å; Y351-H399 WeakPolarHBondContact CE1-O 3.34Å; Y351-H399 PolarHBondContact OH-O 2.95Å; H399-L401 HydrophobicContact CB-CD1 4.47Å; H399-L401 HydrophobicContact CB-CG 4.32Å; H399-L401 PolarHBondContact ND1-N 2.94Å; H399-L401 PolarHBondContact O-N 3.02Å; H399-D402 IonicContact CE1-OD1 3.08Å; H399-D402 PolarHBondContact CE1-OD1 2.8Å; H399-D402 IonicContact CE1-OD2 3.92Å; H399-D402 PolarHBondContact CE1-OD2 2.91Å; H399-D402 IonicContact NE2-OD2 2.71Å
400L86.2Confident82.8Confident49 Ų4965.4 Ų65.426%0.25734%0.34SS..  trans60.82.7179.9-56.2173.1000116.1P352 I355 P398 D402 T403 Y404P352-L400 HydrophobicContact CB-CD1 3.89Å; I355-L400 HydrophobicContact CG2-CB 4.37Å; I355-L400 HydrophobicContact CG2-CD1 4.04Å; P398-L400 HydrophobicContact CB-CD2 4.37Å; L400-D402 VanDerWaalsContact C-N 3.31Å; L400-D402 PolarHBondContact O-N 3.48Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-Y404 HydrophobicContact CB-CD2 4.3Å; L400-Y404 HydrophobicContact CB-CE2 4.01Å; L400-Y404 VanDerWaalsContact O-CD2 3.24Å; L400-Y404 WeakPolarHBondContact O-CD2 3.38Å
401L86Confident83.1Confident0 Ų064 Ų640%033%0.332CS..Hα-helixtrans-64.3-31.5179.7-61175.6000113.2L342 I355 W383 M386 V390 H399 T403 Y404 A405L342-L401 HydrophobicContact CD1-CD1 4.39Å; L342-L401 HydrophobicContact CD2-CD1 3.73Å; I355-L401 HydrophobicContact CD1-CD2 4.29Å; I355-L401 HydrophobicContact CG1-CD2 4.48Å; W383-L401 HydrophobicContact CE3-CD2 4.09Å; W383-L401 HydrophobicContact CH2-CD2 4.48Å; W383-L401 HydrophobicContact CZ3-CD2 3.54Å; M386-L401 HydrophobicContact CB-CD1 3.96Å; M386-L401 HydrophobicContact CB-CD2 4.19Å; M386-L401 HydrophobicContact SD-CD2 4.23Å; V390-L401 HydrophobicContact CG2-CD1 3.56Å; H399-L401 HydrophobicContact CB-CD1 4.47Å; H399-L401 HydrophobicContact CB-CG 4.32Å; H399-L401 PolarHBondContact ND1-N 2.94Å; H399-L401 PolarHBondContact O-N 3.02Å; L401-T403 PolarHBondContact O-N 3.38Å; L401-Y404 PolarHBondContact O-N 3.48Å; L401-A405 VanDerWaalsContact O-CB 3.24Å; L401-A405 WeakPolarHBondContact O-CB 3.33Å; L401-A405 PolarHBondContact O-N 3.04Å
402D85.1Confident83.7Confident60 Ų6059.5 Ų59.532%0.32130%0.303SS..Hα-helixtrans-64.7-24.3178.5-52.7-31.8000112.6H399 L400 P406 C451 E452H399-D402 IonicContact CE1-OD1 3.08Å; H399-D402 PolarHBondContact CE1-OD1 2.8Å; H399-D402 IonicContact CE1-OD2 3.92Å; H399-D402 PolarHBondContact CE1-OD2 2.91Å; H399-D402 IonicContact NE2-OD2 2.71Å; L400-D402 VanDerWaalsContact C-N 3.31Å; L400-D402 PolarHBondContact O-N 3.48Å; D402-P406 VanDerWaalsContact O-CD 3.25Å; D402-P406 WeakPolarHBondContact O-CD 3.22Å; D402-P406 WeakPolarHBondContact O-CG 3.42Å; D402-C451 PolarHBondContact OD1-SG 2.82Å; D402-E452 HydrophobicContact CB-CG 3.85Å; D402-E452 WeakPolarHBondContact O-CG 3.49Å
403T87.9Confident84.3Confident86 Ų8651.4 Ų51.453%0.52827%0.267SS..Hα-helixtrans-81.9-42.6176.8-52.60000111.6L400 L401L400-T403 PolarHBondContact O-N 2.86Å; L401-T403 PolarHBondContact O-N 3.38Å
404Y90.2Very high84.9Confident40 Ų4051.6 Ų51.616%0.15727%0.268CS..Hα-helixtrans-94.7-31-169.1-61.8-61.6000114.3I355 R356 A359 L400 L401 E407 I408I355-Y404 HydrophobicContact CG1-CD2 4.43Å; I355-Y404 HydrophobicContact CG2-CE2 4.14Å; R356-Y404 HydrophobicContact CB-CE1 4.4Å; R356-Y404 HydrophobicContact CB-CE2 4.41Å; R356-Y404 VanDerWaalsContact CB-OH 3.3Å; R356-Y404 WeakPolarHBondContact CB-OH 3.32Å; R356-Y404 HydrophobicContact CG-CE1 4.14Å; R356-Y404 VanDerWaalsContact CG-OH 3.3Å; R356-Y404 WeakPolarHBondContact CG-OH 3.38Å; A359-Y404 HydrophobicContact CB-CD1 3.56Å; A359-Y404 HydrophobicContact CB-CD2 4.4Å; A359-Y404 HydrophobicContact CB-CE1 4.28Å; A359-Y404 HydrophobicContact CB-CG 3.65Å; L400-Y404 HydrophobicContact CB-CD2 4.3Å; L400-Y404 HydrophobicContact CB-CE2 4.01Å; L400-Y404 VanDerWaalsContact O-CD2 3.24Å; L400-Y404 WeakPolarHBondContact O-CD2 3.38Å; L401-Y404 PolarHBondContact O-N 3.48Å; Y404-E407 PolarHBondContact O-N 3.27Å; Y404-I408 WeakPolarHBondContact O-CD1 3.41Å; Y404-I408 WeakPolarHBondContact O-CG1 3.33Å; Y404-I408 PolarHBondContact O-N 3.43Å
405A89.4Confident85.7Confident0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-60.9-39.4179.400000113.3V387 L401 I408 T409 V448 C451V387-A405 HydrophobicContact CG2-CB 4.1Å; L401-A405 VanDerWaalsContact O-CB 3.24Å; L401-A405 WeakPolarHBondContact O-CB 3.33Å; L401-A405 PolarHBondContact O-N 3.04Å; A405-I408 PolarHBondContact O-N 2.92Å; A405-T409 WeakPolarHBondContact O-CB 3.38Å; A405-T409 PolarHBondContact O-N 3.48Å; A405-T409 PolarHBondContact O-OG1 3.38Å; A405-V448 HydrophobicContact CB-CG1 3.93Å; A405-C451 HydrophobicContact CB-CB 3.82Å
406P89.3Confident86.6Confident14 Ų1441.3 Ų41.39%0.09122%0.22CC..Hα-helixtrans-65.2-39.5174.6-26.138.7000113.2D402 I408 T409 K410 E452 K455D402-P406 VanDerWaalsContact O-CD 3.25Å; D402-P406 WeakPolarHBondContact O-CD 3.22Å; D402-P406 WeakPolarHBondContact O-CG 3.42Å; P406-I408 PolarHBondContact O-N 3.17Å; P406-T409 PolarHBondContact O-N 3.33Å; P406-K410 WeakPolarHBondContact O-CB 3.46Å; P406-K410 PolarHBondContact O-N 2.91Å; P406-E452 HydrophobicContact CG-CB 3.73Å; P406-E452 HydrophobicContact CG-CG 4.2Å; P406-K455 HydrophobicContact CB-CD 4.36Å; P406-K455 HydrophobicContact CG-CD 4.44Å
407E90.5Very high87.5Confident94 Ų9435.2 Ų35.244%0.43918%0.183SC..Hα-helixtrans-65.8-38.4177.8-67.2-60.2144.500111.8I363 Y404 K410 A411I363-E407 HydrophobicContact CD1-CB 3.98Å; Y404-E407 PolarHBondContact O-N 3.27Å; E407-K410 PolarHBondContact O-N 3.32Å; E407-A411 WeakPolarHBondContact O-CB 3.26Å; E407-A411 PolarHBondContact O-N 3.09Å
408I91.4Very high88.1Confident0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-66.8-43.6174.8-67.6162.5000110.8A359 T362 I363 L366 W383 Y404 A405 P406 K410 A411 F412A359-I408 HydrophobicContact CB-CD1 4.48Å; T362-I408 HydrophobicContact CG2-CD1 4.42Å; T362-I408 HydrophobicContact CG2-CG1 4.33Å; T362-I408 HydrophobicContact CG2-CG2 4.01Å; I363-I408 HydrophobicContact CG1-CG1 4.07Å; L366-I408 HydrophobicContact CD1-CG2 3.86Å; W383-I408 HydrophobicContact CD2-CD1 3.4Å; W383-I408 HydrophobicContact CE3-CD1 3.75Å; W383-I408 HydrophobicContact CG-CD1 3.99Å; W383-I408 HydrophobicContact CH2-CD1 3.66Å; W383-I408 HydrophobicContact CZ2-CD1 3.31Å; W383-I408 HydrophobicContact CZ3-CD1 3.84Å; Y404-I408 WeakPolarHBondContact O-CD1 3.41Å; Y404-I408 WeakPolarHBondContact O-CG1 3.33Å; Y404-I408 PolarHBondContact O-N 3.43Å; A405-I408 PolarHBondContact O-N 2.92Å; P406-I408 PolarHBondContact O-N 3.17Å; I408-K410 VanDerWaalsContact C-N 3.32Å; I408-K410 PolarHBondContact O-N 3.26Å; I408-A411 PolarHBondContact O-N 3.13Å; I408-F412 WeakPolarHBondContact O-CB 3.35Å; I408-F412 PolarHBondContact O-N 3.44Å
409T90.2Very high88.3Confident1 Ų132.3 Ų32.31%0.00616%0.162CC..Hα-helixtrans-60.4-45.4176.4-58.10000110.5A405 P406 F412 I413 L445 T456A405-T409 WeakPolarHBondContact O-CB 3.38Å; A405-T409 PolarHBondContact O-N 3.48Å; A405-T409 PolarHBondContact O-OG1 3.38Å; P406-T409 PolarHBondContact O-N 3.33Å; T409-F412 PolarHBondContact O-N 3.32Å; T409-I413 HydrophobicContact CG2-CD1 3.83Å; T409-I413 VanDerWaalsContact O-CG1 3.24Å; T409-I413 WeakPolarHBondContact O-CG1 3.48Å; T409-I413 PolarHBondContact O-N 3.16Å; T409-L445 HydrophobicContact CG2-CD1 4.45Å; T409-T456 HydrophobicContact CG2-CG2 3.78Å
410K91.4Very high88.3Confident97 Ų9730.8 Ų30.842%0.42216%0.155SC..Hα-helixtrans-59-50.3175177.6179.4176.4-171.30111.8P406 E407 I408 F412 I413 T414 L459P406-K410 WeakPolarHBondContact O-CB 3.46Å; P406-K410 PolarHBondContact O-N 2.91Å; E407-K410 PolarHBondContact O-N 3.32Å; I408-K410 VanDerWaalsContact C-N 3.32Å; I408-K410 PolarHBondContact O-N 3.26Å; K410-F412 VanDerWaalsContact C-N 3.31Å; K410-F412 PolarHBondContact O-N 3.29Å; K410-I413 PolarHBondContact O-N 3.27Å; K410-T414 HydrophobicContact CG-CG2 4.41Å; K410-T414 WeakPolarHBondContact O-CG2 3.31Å; K410-T414 PolarHBondContact O-N 2.99Å; K410-T414 PolarHBondContact O-OG1 2.96Å; K410-T414 VanDerWaalsContact O-OG1 3.09Å; K410-L459 HydrophobicContact CB-CD2 3.72Å; K410-L459 HydrophobicContact CG-CD2 3.7Å
411A90.5Very high88.1Confident6 Ų629.1 Ų29.15%0.0515%0.149CC..Hα-helixtrans-60.6-39.4179.500000112.6I363 E407 I408 T414 S415I363-A411 HydrophobicContact CB-CB 4.34Å; I363-A411 HydrophobicContact CG1-CB 4.17Å; I363-A411 HydrophobicContact CG2-CB 3.88Å; E407-A411 WeakPolarHBondContact O-CB 3.26Å; E407-A411 PolarHBondContact O-N 3.09Å; I408-A411 PolarHBondContact O-N 3.13Å; A411-T414 PolarHBondContact O-OG1 3.34Å; A411-S415 WeakPolarHBondContact O-CB 3.41Å; A411-S415 PolarHBondContact O-N 3.13Å
412F90.5Very high87.9Confident2 Ų231.9 Ų31.91%0.00916%0.163CC..Hα-helixtrans-61.7-50.7174.5-174.1-85.9000111.2L366 L380 I408 T409 K410 S415 R416 Q441 L445 L498L366-F412 HydrophobicContact CD1-CB 4.07Å; L366-F412 HydrophobicContact CD1-CD2 4.42Å; L366-F412 HydrophobicContact CD2-CD2 3.77Å; L366-F412 HydrophobicContact CD2-CE2 4.45Å; L380-F412 HydrophobicContact CD1-CD2 4.31Å; L380-F412 HydrophobicContact CD1-CE2 3.87Å; L380-F412 HydrophobicContact CD2-CD2 4.31Å; I408-F412 WeakPolarHBondContact O-CB 3.35Å; I408-F412 PolarHBondContact O-N 3.44Å; T409-F412 PolarHBondContact O-N 3.32Å; K410-F412 VanDerWaalsContact C-N 3.31Å; K410-F412 PolarHBondContact O-N 3.29Å; F412-S415 PolarHBondContact O-N 3.4Å; F412-R416 HydrophobicContact CD1-CG 4.29Å; F412-R416 HydrophobicContact CE1-CG 3.94Å; F412-R416 HydrophobicContact CZ-CG 4.18Å; F412-R416 WeakPolarHBondContact O-CG 3.28Å; F412-R416 PolarHBondContact O-N 3.44Å; F412-R416 VanDerWaalsContact O-N 3.15Å; F412-Q441 HydrophobicContact CZ-CB 4.45Å; F412-L445 HydrophobicContact CB-CD1 4.33Å; F412-L445 HydrophobicContact CD1-CD1 4.45Å; F412-L445 HydrophobicContact CD1-CD2 3.41Å; F412-L445 VanDerWaalsContact CD1-CD2 3.41Å; F412-L445 HydrophobicContact CE1-CD2 3.67Å; F412-L445 HydrophobicContact CG-CD1 4.27Å; F412-L445 HydrophobicContact CG-CD2 4.06Å; F412-L445 HydrophobicContact CZ-CD2 4.49Å; F412-L498 HydrophobicContact CD1-CD2 4.25Å; F412-L498 HydrophobicContact CE1-CD2 4.12Å
413I90.6Very high87.7Confident2 Ų229.3 Ų29.31%0.0115%0.15CC..Hα-helixtrans-61.7-49.9-178-66.2165.8000110.4T409 K410 S415 R416 L417 L459 L460 L463 L498T409-I413 HydrophobicContact CG2-CD1 3.83Å; T409-I413 VanDerWaalsContact O-CG1 3.24Å; T409-I413 WeakPolarHBondContact O-CG1 3.48Å; T409-I413 PolarHBondContact O-N 3.16Å; K410-I413 PolarHBondContact O-N 3.27Å; I413-S415 PolarHBondContact O-N 2.91Å; I413-R416 PolarHBondContact O-N 2.98Å; I413-L417 HydrophobicContact CG2-CD1 4.03Å; I413-L417 WeakPolarHBondContact O-CG 3.42Å; I413-L417 PolarHBondContact O-N 2.96Å; I413-L459 HydrophobicContact CD1-CD2 4.14Å; I413-L460 HydrophobicContact CD1-CD2 3.8Å; I413-L460 HydrophobicContact CD1-CG 4.22Å; I413-L460 HydrophobicContact CG1-CD2 4.5Å; I413-L460 HydrophobicContact CG2-CD2 4.35Å; I413-L463 HydrophobicContact CG2-CD1 3.6Å; I413-L498 HydrophobicContact CB-CD1 4.27Å; I413-L498 HydrophobicContact CG1-CD1 3.89Å; I413-L498 HydrophobicContact CG1-CD2 4.08Å; I413-L498 HydrophobicContact CG2-CD1 3.91Å
414T90.4Very high87.3Confident36 Ų3626.9 Ų26.922%0.22113%0.134CC..Hα-helixtrans-64.4-43.1-177.7560000111.7K410 A411 R416 L417 E418K410-T414 HydrophobicContact CG-CG2 4.41Å; K410-T414 WeakPolarHBondContact O-CG2 3.31Å; K410-T414 PolarHBondContact O-N 2.99Å; K410-T414 PolarHBondContact O-OG1 2.96Å; K410-T414 VanDerWaalsContact O-OG1 3.09Å; A411-T414 PolarHBondContact O-OG1 3.34Å; T414-R416 PolarHBondContact O-N 3.45Å; T414-L417 PolarHBondContact O-N 3.38Å; T414-E418 WeakPolarHBondContact O-CB 3.46Å; T414-E418 WeakPolarHBondContact O-CG 3.4Å; T414-E418 PolarHBondContact O-N 3.15Å
415S87.9Confident87Confident4 Ų432.4 Ų32.43%0.02816%0.155CC..Hα-helixtrans-58.2-45.3178.4175.60000112.1L366 A411 F412 I413 L417 E418 S419L366-S415 VanDerWaalsContact O-CB 3.28Å; L366-S415 WeakPolarHBondContact O-CB 3.44Å; L366-S415 PolarHBondContact O-OG 3.36Å; A411-S415 WeakPolarHBondContact O-CB 3.41Å; A411-S415 PolarHBondContact O-N 3.13Å; F412-S415 PolarHBondContact O-N 3.4Å; I413-S415 PolarHBondContact O-N 2.91Å; S415-L417 PolarHBondContact O-N 3.32Å; S415-E418 PolarHBondContact O-N 3.4Å; S415-S419 WeakPolarHBondContact O-CB 3.48Å; S415-S419 PolarHBondContact O-N 2.96Å
416R86.9Confident86.5Confident16 Ų1637.4 Ų37.46%0.0618%0.182CC..Hα-helixtrans-67-33.3178.4-65.3-60.4178.9-146.14.1113.3F412 I413 T414 S419 V420 W494F412-R416 HydrophobicContact CD1-CG 4.29Å; F412-R416 HydrophobicContact CE1-CG 3.94Å; F412-R416 HydrophobicContact CZ-CG 4.18Å; F412-R416 WeakPolarHBondContact O-CG 3.28Å; F412-R416 PolarHBondContact O-N 3.44Å; F412-R416 VanDerWaalsContact O-N 3.15Å; I413-R416 PolarHBondContact O-N 2.98Å; T414-R416 PolarHBondContact O-N 3.45Å; R416-S419 PolarHBondContact O-OG 3.15Å; R416-V420 WeakPolarHBondContact O-CG2 3.34Å; R416-W494 HydrophobicContact CB-CD2 3.99Å; R416-W494 HydrophobicContact CB-CE3 4.16Å; R416-W494 HydrophobicContact CB-CG 4.39Å; R416-W494 HydrophobicContact CG-CD2 4.48Å; R416-W494 HydrophobicContact CG-CE3 4.29Å; R416-W494 HydrophobicContact CG-CH2 4.26Å; R416-W494 HydrophobicContact CG-CZ2 4.44Å; R416-W494 HydrophobicContact CG-CZ3 4.18Å
417L86.9Confident85.8Confident10 Ų1044.9 Ų44.95%0.05222%0.215CC..Hα-helixtrans-75.1-32.8176.9-63.3175.6000112.9I413 T414 S415 L463 R491 W494 L495I413-L417 HydrophobicContact CG2-CD1 4.03Å; I413-L417 WeakPolarHBondContact O-CG 3.42Å; I413-L417 PolarHBondContact O-N 2.96Å; T414-L417 PolarHBondContact O-N 3.38Å; S415-L417 PolarHBondContact O-N 3.32Å; L417-L463 HydrophobicContact CD1-CB 4.39Å; L417-L463 HydrophobicContact CD1-CD1 3.86Å; L417-L463 HydrophobicContact CD1-CD2 4.41Å; L417-L463 HydrophobicContact CD1-CG 4.46Å; L417-R491 HydrophobicContact CD2-CB 4.04Å; L417-R491 HydrophobicContact CD2-CG 4.22Å; L417-R491 WeakPolarHBondContact CD2-O 3.28Å; L417-R491 PolarHBondContact O-NE 3.04Å; L417-R491 VanDerWaalsContact O-NE 3.14Å; L417-W494 HydrophobicContact CD2-CB 4.01Å; L417-L495 HydrophobicContact CD1-CD2 4.04Å; L417-L495 HydrophobicContact CD1-CG 4.44Å; L417-L495 HydrophobicContact CD2-CD1 4.49Å; L417-L495 HydrophobicContact CD2-CD2 4.3Å; L417-L495 HydrophobicContact CD2-CG 3.91Å
418E86.3Confident85.2Confident124 Ų12444.2 Ų44.258%0.57921%0.214SC*.Hα-helixtrans-71.2-40.6174.1-72.7171-170.500111T414 S415 V420 A421T414-E418 WeakPolarHBondContact O-CB 3.46Å; T414-E418 WeakPolarHBondContact O-CG 3.4Å; T414-E418 PolarHBondContact O-N 3.15Å; S415-E418 PolarHBondContact O-N 3.4Å; E418-V420 VanDerWaalsContact C-N 3.28Å; E418-V420 PolarHBondContact O-N 2.87Å; E418-A421 PolarHBondContact O-N 3.04Å; E418-A421 VanDerWaalsContact O-N 3.17Å
419S83.4Confident84.3Confident1 Ų151.7 Ų51.71%0.00725%0.254CS..Hα-helixtrans-60.8-34.4-179.871.60000112.9S415 R416 A421 I422 V423S415-S419 WeakPolarHBondContact O-CB 3.48Å; S415-S419 PolarHBondContact O-N 2.96Å; R416-S419 PolarHBondContact O-OG 3.15Å; S419-A421 PolarHBondContact O-N 2.99Å; S419-I422 PolarHBondContact O-N 2.92Å; S419-V423 WeakPolarHBondContact O-CB 3.39Å; S419-V423 VanDerWaalsContact O-CG2 3.27Å; S419-V423 WeakPolarHBondContact O-CG2 3.37Å; S419-V423 PolarHBondContact O-N 3.41Å
420V82.9Confident83.5Confident4 Ų452.7 Ų52.72%0.02426%0.259CS..Hα-helixtrans-55.2-40.9177.71750000111.8R416 E418 I422 V424 I487 R491 W494R416-V420 WeakPolarHBondContact O-CG2 3.34Å; E418-V420 VanDerWaalsContact C-N 3.28Å; E418-V420 PolarHBondContact O-N 2.87Å; V420-I422 VanDerWaalsContact C-N 3.31Å; V420-I422 PolarHBondContact O-N 3.45Å; V420-V424 HydrophobicContact CG1-CG2 4.27Å; V420-V424 WeakPolarHBondContact O-CB 3.21Å; V420-V424 VanDerWaalsContact O-CG2 3.24Å; V420-V424 WeakPolarHBondContact O-CG2 3.37Å; V420-V424 PolarHBondContact O-N 3.34Å; V420-V424 VanDerWaalsContact O-N 3.09Å; V420-I487 HydrophobicContact CG1-CG2 4.35Å; V420-I487 WeakPolarHBondContact CG1-O 3.26Å; V420-R491 HydrophobicContact CB-CG 4.12Å; V420-R491 HydrophobicContact CG1-CG 4.21Å; V420-R491 HydrophobicContact CG2-CG 4.37Å; V420-W494 VanDerWaalsContact CG2-CD1 3.49Å
421A83Confident82.7Confident15 Ų1549.8 Ų49.812%0.12425%0.25CS..Hα-helixtrans-68.3-34.1-178.900000112.1E418 S419 R425 I487E418-A421 PolarHBondContact O-N 3.04Å; E418-A421 VanDerWaalsContact O-N 3.17Å; S419-A421 PolarHBondContact O-N 2.99Å; A421-R425 VanDerWaalsContact O-CB 3.3Å; A421-R425 WeakPolarHBondContact O-CB 3.45Å; A421-R425 WeakPolarHBondContact O-CD 3.35Å; A421-R425 WeakPolarHBondContact O-CG 3.26Å; A421-R425 PolarHBondContact O-N 2.83Å; A421-I487 HydrophobicContact CB-CG2 4.1Å
422I81.9Confident82.1Confident58 Ų5850 Ų5030%0.29725%0.251SS..Hα-helixtrans-73.7-51.5178.4-58.8171.9000109.5W369 S419 V420 V424 R425 D426 L428W369-I422 HydrophobicContact CZ2-CB 4.29Å; W369-I422 HydrophobicContact CZ2-CD1 4.34Å; W369-I422 HydrophobicContact CZ2-CG2 4.14Å; S419-I422 PolarHBondContact O-N 2.92Å; V420-I422 VanDerWaalsContact C-N 3.31Å; V420-I422 PolarHBondContact O-N 3.45Å; I422-V424 VanDerWaalsContact C-N 3.32Å; I422-V424 PolarHBondContact O-N 2.87Å; I422-R425 PolarHBondContact O-N 2.89Å; I422-R425 VanDerWaalsContact O-N 3.17Å; I422-D426 WeakPolarHBondContact CG2-OD2 3.19Å; I422-D426 WeakPolarHBondContact O-CB 3.45Å; I422-D426 PolarHBondContact O-N 3.1Å; I422-L428 HydrophobicContact CG2-CD1 4.17Å
423V81.1Confident81.5Confident6 Ų655 Ų554%0.03628%0.277CS..Hα-helixtrans-54.5-46.6179.9169.70000111.8W369 S419 H427 L428 D430W369-V423 HydrophobicContact CH2-CG2 3.96Å; W369-V423 HydrophobicContact CZ3-CG2 4.5Å; S419-V423 WeakPolarHBondContact O-CB 3.39Å; S419-V423 VanDerWaalsContact O-CG2 3.27Å; S419-V423 WeakPolarHBondContact O-CG2 3.37Å; S419-V423 PolarHBondContact O-N 3.41Å; V423-H427 WeakPolarHBondContact O-CA 3.11Å; V423-H427 PolarHBondContact O-N 3.31Å; V423-L428 WeakPolarHBondContact CG1-O 3.38Å; V423-L428 HydrophobicContact CG2-CB 4.49Å; V423-L428 PolarHBondContact O-N 3.26Å; V423-L428 VanDerWaalsContact O-N 3.14Å; V423-D430 HydrophobicContact CG1-CB 3.86Å
424V79.4Confident81Confident34 Ų3458.6 Ų58.621%0.20630%0.297CS..Hα-helixtrans-71.7-35.8-178.3174.60000112.3V420 I422 V483 T486 I487V420-V424 HydrophobicContact CG1-CG2 4.27Å; V420-V424 WeakPolarHBondContact O-CB 3.21Å; V420-V424 VanDerWaalsContact O-CG2 3.24Å; V420-V424 WeakPolarHBondContact O-CG2 3.37Å; V420-V424 PolarHBondContact O-N 3.34Å; V420-V424 VanDerWaalsContact O-N 3.09Å; I422-V424 VanDerWaalsContact C-N 3.32Å; I422-V424 PolarHBondContact O-N 2.87Å; V424-V483 HydrophobicContact CG1-CG1 4Å; V424-T486 WeakPolarHBondContact CG1-OG1 3.29Å; V424-I487 HydrophobicContact CB-CG1 3.84Å; V424-I487 HydrophobicContact CG1-CD1 4.45Å; V424-I487 HydrophobicContact CG1-CG1 3.76Å; V424-I487 HydrophobicContact CG2-CG1 4.27Å
425R82.6Confident80.3Confident157 Ų15759.2 Ų59.259%0.59230%0.3SS*.Hα-helixtrans-79-36.9-178.5-73176.4-179-172-1.1112.9A421 I422 I487A421-R425 VanDerWaalsContact O-CB 3.3Å; A421-R425 WeakPolarHBondContact O-CB 3.45Å; A421-R425 WeakPolarHBondContact O-CD 3.35Å; A421-R425 WeakPolarHBondContact O-CG 3.26Å; A421-R425 PolarHBondContact O-N 2.83Å; I422-R425 PolarHBondContact O-N 2.89Å; I422-R425 VanDerWaalsContact O-N 3.17Å; R425-I487 HydrophobicContact CG-CD1 4.21Å
426D79.1Confident80Confident105 Ų10562.2 Ų62.256%0.56133%0.325SS*.Hα-helixtrans-97.72.2-175.8-61.7-20.2000112.6I422 L428I422-D426 WeakPolarHBondContact CG2-OD2 3.19Å; I422-D426 WeakPolarHBondContact O-CB 3.45Å; I422-D426 PolarHBondContact O-N 3.1Å; D426-L428 VanDerWaalsContact C-N 3.25Å; D426-L428 HydrophobicContact CB-CD1 4.28Å; D426-L428 HydrophobicContact CB-CG 4Å; D426-L428 PolarHBondContact O-N 3.33Å
427H76Confident79.6Confident171 Ų17163.6 Ų63.679%0.79234%0.336SS*.THydrogen-bonded Turntrans52.839.4-178.5-60.8-59.7000113.7V423V423-H427 WeakPolarHBondContact O-CA 3.11Å; V423-H427 PolarHBondContact O-N 3.31Å
428L75.9Confident79.4Confident79 Ų7963.3 Ų63.341%0.41434%0.335SS..PPolyproline II helixtrans-77.2161.2175.1-58.9174000110.7W369 I422 V423 D426 D430W369-L428 HydrophobicContact CH2-CD1 3.98Å; I422-L428 HydrophobicContact CG2-CD1 4.17Å; V423-L428 WeakPolarHBondContact CG1-O 3.38Å; V423-L428 HydrophobicContact CG2-CB 4.49Å; V423-L428 PolarHBondContact O-N 3.26Å; V423-L428 VanDerWaalsContact O-N 3.14Å; D426-L428 VanDerWaalsContact C-N 3.25Å; D426-L428 HydrophobicContact CB-CD1 4.28Å; D426-L428 HydrophobicContact CB-CG 4Å; D426-L428 PolarHBondContact O-N 3.33Å; L428-D430 PolarHBondContact O-N 2.68Å
429D72.6Confident79.3Confident157 Ų15759.8 Ų59.884%0.8432%0.317SS*.PPolyproline II helixtrans-59.8126173.5-68.5-31.8000110P431D429-P431 WeakPolarHBondContact O-CD 3.33Å
430D73.8Confident79.4Confident23 Ų2363.8 Ų63.812%0.12334%0.336CS..PPolyproline II helixtrans-79.6124.3-178.5-170.6-20.5000110.2V423 L428 L432 D433 K544V423-D430 HydrophobicContact CG1-CB 3.86Å; L428-D430 PolarHBondContact O-N 2.68Å; D430-L432 PolarHBondContact O-N 2.89Å; D430-L432 VanDerWaalsContact O-N 3.07Å; D430-L432 WeakPolarHBondContact OD1-CB 3.25Å; D430-L432 PolarHBondContact OD1-N 3.43Å; D430-D433 WeakPolarHBondContact O-CB 3.4Å; D430-D433 PolarHBondContact O-N 3.18Å; D430-K544 VanDerWaalsContact CG-NZ 3.33Å; D430-K544 IonicContact OD2-NZ 3.26Å; D430-K544 PolarHBondContact OD2-NZ 3.11Å
431P74.9Confident79.5Confident35 Ų3564.3 Ų64.323%0.22734%0.338CS..G310 helixtrans-55.2-26.6174.7-2533.7000114D429 D433 D434 V438 W494D429-P431 WeakPolarHBondContact O-CD 3.33Å; P431-D433 PolarHBondContact O-N 3.31Å; P431-D434 PolarHBondContact O-N 2.85Å; P431-V438 WeakPolarHBondContact O-CG2 3.46Å; P431-W494 HydrophobicContact CB-CZ2 4.24Å
432L78.1Confident79.6Confident11 Ų1163.6 Ų63.66%0.05833%0.332CS..G310 helixtrans-67.3-18.9177.8-69.2177.2000113.9D430 D434 A493 W494 Y497 K544D430-L432 PolarHBondContact O-N 2.89Å; D430-L432 VanDerWaalsContact O-N 3.07Å; D430-L432 WeakPolarHBondContact OD1-CB 3.25Å; D430-L432 PolarHBondContact OD1-N 3.43Å; L432-D434 VanDerWaalsContact C-N 3.31Å; L432-A493 HydrophobicContact CD1-CB 4.22Å; L432-W494 HydrophobicContact CD2-CD2 3.93Å; L432-W494 VanDerWaalsContact CD2-CE2 3.47Å; L432-W494 HydrophobicContact CD2-CE3 4.43Å; L432-W494 HydrophobicContact CD2-CG 4.41Å; L432-W494 HydrophobicContact CD2-CH2 4.14Å; L432-W494 HydrophobicContact CD2-CZ2 3.6Å; L432-W494 HydrophobicContact CG-CZ2 4.03Å; L432-Y497 HydrophobicContact CD2-CD2 3.94Å; L432-Y497 HydrophobicContact CD2-CE2 3.9Å; L432-K544 HydrophobicContact CD1-CD 4.35Å
433D77.1Confident79.8Confident107 Ų10767.4 Ų67.457%0.57235%0.349SS*.G310 helixtrans-74.2-27.1179.2-60.8-20.2000110.9D430 P431 T435 K544D430-D433 WeakPolarHBondContact O-CB 3.4Å; D430-D433 PolarHBondContact O-N 3.18Å; P431-D433 PolarHBondContact O-N 3.31Å; D433-T435 PolarHBondContact O-N 3.05Å; D433-K544 WeakPolarHBondContact OD1-CE 3.27Å; D433-K544 IonicContact OD1-NZ 3.48Å; D433-K544 PolarHBondContact OD1-NZ 3.41Å; D433-K544 IonicContact OD2-NZ 2.94Å
434D80Confident80Confident78 Ų7867.7 Ų67.742%0.41735%0.35SS..  trans-90.775169.6-174.86.1000111.9P431 L432 A436 T437 V438P431-D434 PolarHBondContact O-N 2.85Å; L432-D434 VanDerWaalsContact C-N 3.31Å; D434-A436 PolarHBondContact O-N 2.86Å; D434-A436 VanDerWaalsContact O-N 3.08Å; D434-A436 PolarHBondContact OD1-N 2.9Å; D434-T437 PolarHBondContact O-N 2.63Å; D434-T437 PolarHBondContact O-OG1 3Å; D434-T437 PolarHBondContact OD1-N 3.47Å; D434-T437 WeakPolarHBondContact OD2-CB 3.12Å; D434-T437 WeakPolarHBondContact OD2-CG2 3.22Å; D434-T437 PolarHBondContact OD2-OG1 3.36Å; D434-V438 WeakPolarHBondContact O-CG2 3.12Å; D434-V438 PolarHBondContact O-N 3.44Å
435T76.9Confident80.4Confident48 Ų4866.1 Ų66.129%0.29434%0.34SS..Hα-helixtrans-57-25.5179.759.10000114.1D433 F439D433-T435 PolarHBondContact O-N 3.05Å; T435-F439 HydrophobicContact CG2-CZ 4.45Å; T435-F439 VanDerWaalsContact O-CB 3.3Å; T435-F439 WeakPolarHBondContact O-CB 3.4Å; T435-F439 WeakPolarHBondContact O-CD2 3.14Å; T435-F439 WeakPolarHBondContact O-CG 3.47Å; T435-F439 PolarHBondContact O-N 3.04Å
436A80.6Confident80.5Confident67 Ų6759.5 Ų59.555%0.55432%0.318SS*.Hα-helixtrans-71.9-48.6-177.600000111.6D434 Q440D434-A436 PolarHBondContact O-N 2.86Å; D434-A436 VanDerWaalsContact O-N 3.08Å; D434-A436 PolarHBondContact OD1-N 2.9Å; A436-Q440 WeakPolarHBondContact O-CB 3.44Å; A436-Q440 PolarHBondContact O-N 3.47Å; A436-Q440 VanDerWaalsContact O-N 3.1Å
437T79.9Confident80.8Confident46 Ų4656.3 Ų56.328%0.28230%0.302SS..Hα-helixtrans-69.8-37.1177.756.70000111.6D434 Q440 Q441D434-T437 PolarHBondContact O-N 2.63Å; D434-T437 PolarHBondContact O-OG1 3Å; D434-T437 PolarHBondContact OD1-N 3.47Å; D434-T437 WeakPolarHBondContact OD2-CB 3.12Å; D434-T437 WeakPolarHBondContact OD2-CG2 3.22Å; D434-T437 PolarHBondContact OD2-OG1 3.36Å; T437-Q440 PolarHBondContact O-N 3.5Å; T437-Q441 WeakPolarHBondContact O-CG 3.47Å; T437-Q441 PolarHBondContact O-N 3.2Å
438V83Confident81.4Confident4 Ų448.2 Ų48.22%0.02427%0.265CS..Hα-helixtrans-60.5-51.1174.1173.10000110.8P431 D434 Q440 Q441 L442 W494P431-V438 WeakPolarHBondContact O-CG2 3.46Å; D434-V438 WeakPolarHBondContact O-CG2 3.12Å; D434-V438 PolarHBondContact O-N 3.44Å; V438-Q440 VanDerWaalsContact C-N 3.26Å; V438-Q440 PolarHBondContact O-N 3Å; V438-Q441 PolarHBondContact O-N 2.97Å; V438-L442 HydrophobicContact CG1-CD1 3.75Å; V438-L442 HydrophobicContact CG1-CG 4.15Å; V438-L442 WeakPolarHBondContact O-CB 3.26Å; V438-L442 VanDerWaalsContact O-CG 3.26Å; V438-L442 WeakPolarHBondContact O-CG 3.46Å; V438-L442 PolarHBondContact O-N 3.29Å; V438-W494 HydrophobicContact CG1-CH2 3.96Å; V438-W494 HydrophobicContact CG1-CZ3 4.13Å; V438-W494 HydrophobicContact CG2-CH2 4.07Å
439F84.1Confident81.8Confident50 Ų5044.5 Ų44.522%0.21925%0.245CC..Hα-helixtrans-61.5-36.4179.5-66.3-15.2000112.4T435 L442 E443 Y497 W551T435-F439 HydrophobicContact CG2-CZ 4.45Å; T435-F439 VanDerWaalsContact O-CB 3.3Å; T435-F439 WeakPolarHBondContact O-CB 3.4Å; T435-F439 WeakPolarHBondContact O-CD2 3.14Å; T435-F439 WeakPolarHBondContact O-CG 3.47Å; T435-F439 PolarHBondContact O-N 3.04Å; F439-L442 HydrophobicContact CD1-CD1 4.48Å; F439-L442 PolarHBondContact O-N 2.99Å; F439-E443 WeakPolarHBondContact O-CB 3.24Å; F439-E443 PolarHBondContact O-N 3.49Å; F439-Y497 HydrophobicContact CE1-CD1 4.26Å; F439-Y497 AromaticContact CE1-CE1 3.62Å; F439-Y497 HydrophobicContact CE1-CE1 3.62Å; F439-Y497 HydrophobicContact CZ-CE1 4.33Å; F439-W551 AromaticContact CD1-CD1 3.96Å; F439-W551 AromaticContact CD1-NE1 3.7Å; F439-W551 AromaticContact CE1-CD1 3.45Å; F439-W551 VanDerWaalsContact CE1-CD1 3.45Å; F439-W551 HydrophobicContact CE1-CG 4.14Å; F439-W551 AromaticContact CE1-NE1 3.69Å; F439-W551 AromaticContact CZ-CD1 3.61Å; F439-W551 HydrophobicContact CZ-CG 4.44Å
440Q83.9Confident82.4Confident84 Ų8438.9 Ų38.939%0.39321%0.212SC..Hα-helixtrans-64.5-46174.6-168.8-175.940.900112.2H377 A436 T437 V438 E443 Q444H377-Q440 PolarHBondContact CE1-NE2 2.97Å; H377-Q440 VanDerWaalsContact ND1-CD 3.26Å; H377-Q440 PolarHBondContact ND1-OE1 3.3Å; A436-Q440 WeakPolarHBondContact O-CB 3.44Å; A436-Q440 PolarHBondContact O-N 3.47Å; A436-Q440 VanDerWaalsContact O-N 3.1Å; T437-Q440 PolarHBondContact O-N 3.5Å; V438-Q440 VanDerWaalsContact C-N 3.26Å; V438-Q440 PolarHBondContact O-N 3Å; Q440-E443 PolarHBondContact O-N 3.14Å; Q440-Q444 VanDerWaalsContact O-CG 3.28Å; Q440-Q444 WeakPolarHBondContact O-CG 3.43Å; Q440-Q444 PolarHBondContact O-N 2.92Å; Q440-Q444 VanDerWaalsContact O-N 3.14Å
441Q85.8Confident82.8Confident15 Ų1538.3 Ų38.37%0.0721%0.21CC..Hα-helixtrans-64.2-40.3177-71.6-179.116.700111.9L380 F412 T437 V438 Q444 L445L380-Q441 HydrophobicContact CD1-CB 4.01Å; L380-Q441 HydrophobicContact CD1-CG 4.07Å; F412-Q441 HydrophobicContact CZ-CB 4.45Å; T437-Q441 WeakPolarHBondContact O-CG 3.47Å; T437-Q441 PolarHBondContact O-N 3.2Å; V438-Q441 PolarHBondContact O-N 2.97Å; Q441-Q444 PolarHBondContact O-N 3.2Å; Q441-L445 WeakPolarHBondContact O-CB 3.45Å; Q441-L445 PolarHBondContact O-N 3.48Å
442L85.9Confident83.2Confident1 Ų140.7 Ų40.71%0.00522%0.218CC..Hα-helixtrans-63.7-46.1176.6-69.8178.6000111.1V438 F439 Q444 L445 C446 W494 Y497 L498 T501 W551V438-L442 HydrophobicContact CG1-CD1 3.75Å; V438-L442 HydrophobicContact CG1-CG 4.15Å; V438-L442 WeakPolarHBondContact O-CB 3.26Å; V438-L442 VanDerWaalsContact O-CG 3.26Å; V438-L442 WeakPolarHBondContact O-CG 3.46Å; V438-L442 PolarHBondContact O-N 3.29Å; F439-L442 HydrophobicContact CD1-CD1 4.48Å; F439-L442 PolarHBondContact O-N 2.99Å; L442-Q444 PolarHBondContact O-N 3.07Å; L442-L445 PolarHBondContact O-N 2.87Å; L442-L445 VanDerWaalsContact O-N 3.16Å; L442-C446 WeakPolarHBondContact O-CB 3.38Å; L442-C446 PolarHBondContact O-N 3.02Å; L442-W494 HydrophobicContact CD2-CZ3 4.41Å; L442-Y497 HydrophobicContact CD1-CD1 4.17Å; L442-Y497 HydrophobicContact CD1-CG 4.23Å; L442-L498 HydrophobicContact CD2-CD2 4.01Å; L442-T501 HydrophobicContact CB-CG2 4.02Å; L442-T501 WeakPolarHBondContact CB-OG1 3.47Å; L442-T501 WeakPolarHBondContact CD2-OG1 3.25Å; L442-T501 WeakPolarHBondContact O-CG2 3.4Å; L442-W551 HydrophobicContact CD1-CH2 4.45Å; L442-W551 HydrophobicContact CD1-CZ2 4.4Å
443E84.2Confident83.6Confident138 Ų13840.3 Ų40.365%0.64522%0.216SC*.Hα-helixtrans-58.7-34.4175.9-172.8176.2-17600112.4Q384 F439 Q440 C446Q384-E443 PolarHBondContact NE2-O 2.92Å; F439-E443 WeakPolarHBondContact O-CB 3.24Å; F439-E443 PolarHBondContact O-N 3.49Å; Q440-E443 PolarHBondContact O-N 3.14Å; E443-C446 VanDerWaalsContact O-CB 3.23Å; E443-C446 WeakPolarHBondContact O-CB 3.49Å
444Q86Confident84.1Confident11 Ų1142.2 Ų42.25%0.05122%0.221CC..Hα-helixtrans-71.2-46.5174.7-67.4168.7-18.900112.5H377 L380 T381 Q384 Q440 Q441 L442 C446H377-Q444 PolarHBondContact CE1-NE2 3.2Å; H377-Q444 PolarHBondContact ND1-NE2 2.83Å; L380-Q444 HydrophobicContact CB-CB 3.89Å; T381-Q444 PolarHBondContact OG1-NE2 2.91Å; Q384-Q444 HydrophobicContact CB-CB 4.49Å; Q384-Q444 WeakPolarHBondContact CB-O 3.21Å; Q384-Q444 WeakPolarHBondContact CG-O 3.31Å; Q440-Q444 VanDerWaalsContact O-CG 3.28Å; Q440-Q444 WeakPolarHBondContact O-CG 3.43Å; Q440-Q444 PolarHBondContact O-N 2.92Å; Q440-Q444 VanDerWaalsContact O-N 3.14Å; Q441-Q444 PolarHBondContact O-N 3.2Å; L442-Q444 PolarHBondContact O-N 3.07Å; Q444-C446 PolarHBondContact O-N 2.93Å
445L87.2Confident84.4Confident2 Ų244 Ų441%0.0123%0.225CC..Hα-helixtrans-62.9-34.3179.5-174.469.1000111.9T409 F412 Q441 L442 T447 V448 S449 L498T409-L445 HydrophobicContact CG2-CD1 4.45Å; F412-L445 HydrophobicContact CB-CD1 4.33Å; F412-L445 HydrophobicContact CD1-CD1 4.45Å; F412-L445 HydrophobicContact CD1-CD2 3.41Å; F412-L445 VanDerWaalsContact CD1-CD2 3.41Å; F412-L445 HydrophobicContact CE1-CD2 3.67Å; F412-L445 HydrophobicContact CG-CD1 4.27Å; F412-L445 HydrophobicContact CG-CD2 4.06Å; F412-L445 HydrophobicContact CZ-CD2 4.49Å; Q441-L445 WeakPolarHBondContact O-CB 3.45Å; Q441-L445 PolarHBondContact O-N 3.48Å; L442-L445 PolarHBondContact O-N 2.87Å; L442-L445 VanDerWaalsContact O-N 3.16Å; L445-T447 VanDerWaalsContact C-N 3.27Å; L445-T447 PolarHBondContact O-N 2.85Å; L445-T447 VanDerWaalsContact O-N 3.13Å; L445-V448 CarbonylContact O-C 3.04Å; L445-V448 WeakPolarHBondContact O-CA 3.37Å; L445-V448 WeakPolarHBondContact O-CB 3.23Å; L445-V448 PolarHBondContact O-N 3.29Å; L445-S449 PolarHBondContact O-N 3.44Å; L445-S449 PolarHBondContact O-OG 2.85Å; L445-S449 VanDerWaalsContact O-OG 3.08Å; L445-L498 HydrophobicContact CD2-CD2 3.73Å
446C86.3Confident85Confident18 Ų1841.8 Ų41.812%0.12221%0.212CC..Hα-helixtrans-43.5-46.5-179.2-174.40000114.5L442 E443 Q444 S449 T501 G505L442-C446 WeakPolarHBondContact O-CB 3.38Å; L442-C446 PolarHBondContact O-N 3.02Å; E443-C446 VanDerWaalsContact O-CB 3.23Å; E443-C446 WeakPolarHBondContact O-CB 3.49Å; Q444-C446 PolarHBondContact O-N 2.93Å; C446-S449 PolarHBondContact O-OG 2.96Å; C446-T501 HydrophobicContact CB-CG2 3.62Å; C446-T501 PolarHBondContact SG-O 3.06Å; C446-G505 WeakPolarHBondContact SG-CA 3.26Å; C446-G505 PolarHBondContact SG-N 2.61Å; C446-G505 VanDerWaalsContact SG-N 3.39Å
447T85.2Confident85.4Confident38 Ų3839 Ų3923%0.23319%0.188CC..Hα-helixtrans-75.9-37.3178.3-53.10000111.9V387 A388 L445 R450V387-T447 HydrophobicContact CB-CG2 4.4Å; V387-T447 HydrophobicContact CG1-CG2 4.12Å; V387-T447 WeakPolarHBondContact CG1-O 2.99Å; A388-T447 HydrophobicContact CB-CG2 4.02Å; L445-T447 VanDerWaalsContact C-N 3.27Å; L445-T447 PolarHBondContact O-N 2.85Å; L445-T447 VanDerWaalsContact O-N 3.13Å; T447-R450 PolarHBondContact O-N 3.36Å
448V87.2Confident85.9Confident1 Ų139.7 Ų39.71%0.00620%0.198CC..Hα-helixtrans-66.8-42.9-179-174.70000110.9W383 Q384 A405 L445 R450 C451W383-V448 HydrophobicContact CB-CG1 4.4Å; W383-V448 HydrophobicContact CB-CG2 3.81Å; Q384-V448 HydrophobicContact CB-CG2 4.31Å; A405-V448 HydrophobicContact CB-CG1 3.93Å; L445-V448 CarbonylContact O-C 3.04Å; L445-V448 WeakPolarHBondContact O-CA 3.37Å; L445-V448 WeakPolarHBondContact O-CB 3.23Å; L445-V448 PolarHBondContact O-N 3.29Å; V448-R450 PolarHBondContact O-N 3.02Å; V448-C451 VanDerWaalsContact O-CB 3.29Å; V448-C451 WeakPolarHBondContact O-CB 3.24Å; V448-C451 PolarHBondContact O-N 3.34Å; V448-C451 VanDerWaalsContact O-N 3.12Å
449S85.8Confident86.3Confident0 Ų040.9 Ų40.90%020%0.204CC..THydrogen-bonded Turntrans-64.2-21-178.553.10000114.3L445 C446 T456L445-S449 PolarHBondContact O-N 3.44Å; L445-S449 PolarHBondContact O-OG 2.85Å; L445-S449 VanDerWaalsContact O-OG 3.08Å; C446-S449 PolarHBondContact O-OG 2.96Å; S449-T456 WeakPolarHBondContact O-CB 3.39Å; S449-T456 PolarHBondContact O-OG1 3.39Å
450R84.1Confident86.7Confident39 Ų3938.5 Ų38.515%0.14719%0.194CC..THydrogen-bonded Turntrans-90.7-5.9179.9-75172.3165.1-103.90.2113.3T447 V448 Y453 V502 V503 G505 R506 D519T447-R450 PolarHBondContact O-N 3.36Å; V448-R450 PolarHBondContact O-N 3.02Å; R450-Y453 HydrophobicContact CG-CD2 4.27Å; R450-V502 PolarHBondContact NE-O 3.47Å; R450-V502 PolarHBondContact NH2-O 3.03Å; R450-V503 PolarHBondContact NH2-O 3Å; R450-V503 VanDerWaalsContact NH2-O 3.13Å; R450-G505 WeakPolarHBondContact CD-O 3.42Å; R450-G505 VanDerWaalsContact CZ-O 3.28Å; R450-G505 VanDerWaalsContact NE-CA 3.29Å; R450-G505 PolarHBondContact NE-O 3.49Å; R450-G505 VanDerWaalsContact NE-O 3.13Å; R450-G505 PolarHBondContact NH1-O 3.48Å; R450-R506 VanDerWaalsContact NH2-N 3.15Å; R450-D519 IonicContact NH2-OD2 3.57Å; R450-D519 PolarHBondContact NH2-OD2 2.76Å
451C82.9Confident87.1Confident11 Ų1136 Ų367%0.07419%0.185CC..THydrogen-bonded Turntrans-71.3123.9164.4-172.90000108V387 D402 A405 V448V387-C451 HydrophobicContact CG1-CB 3.82Å; V387-C451 HydrophobicContact CG2-CB 4.37Å; D402-C451 PolarHBondContact OD1-SG 2.82Å; A405-C451 HydrophobicContact CB-CB 3.82Å; V448-C451 VanDerWaalsContact O-CB 3.29Å; V448-C451 WeakPolarHBondContact O-CB 3.24Å; V448-C451 PolarHBondContact O-N 3.34Å; V448-C451 VanDerWaalsContact O-N 3.12Å
452E82.8Confident87.4Confident85 Ų8541.3 Ų41.340%0.39721%0.209SC..THydrogen-bonded Turntrans52.554.6-173.4-65.2-81123.200112.7D402 P406 E454 K455D402-E452 HydrophobicContact CB-CG 3.85Å; D402-E452 WeakPolarHBondContact O-CG 3.49Å; P406-E452 HydrophobicContact CG-CB 3.73Å; P406-E452 HydrophobicContact CG-CG 4.2Å; E452-E454 PolarHBondContact O-N 3.44Å; E452-E454 VanDerWaalsContact O-N 3.08Å; E452-K455 HydrophobicContact CB-CD 4.33Å; E452-K455 PolarHBondContact O-N 2.78Å; E452-K455 VanDerWaalsContact O-N 3.11Å; E452-K455 WeakPolarHBondContact OE2-CE 3.34Å; E452-K455 IonicContact OE2-NZ 2.88Å; E452-K455 PolarHBondContact OE2-NZ 3.03Å
453Y85.9Confident87.7Confident3 Ų342.5 Ų42.51%0.01222%0.215CC..Hα-helixtrans-55.5-34.4-165.3-172.1-142.3000114.6R450 K455 T456 C457 V502 H515 M518 D519R450-Y453 HydrophobicContact CG-CD2 4.27Å; Y453-K455 VanDerWaalsContact C-N 3.32Å; Y453-K455 PolarHBondContact O-N 3.33Å; Y453-T456 PolarHBondContact O-N 3.4Å; Y453-T456 VanDerWaalsContact O-N 3.16Å; Y453-C457 WeakPolarHBondContact CE2-SG 3.21Å; Y453-C457 PolarHBondContact O-N 3.46Å; Y453-C457 PolarHBondContact O-SG 2.98Å; Y453-C457 VanDerWaalsContact O-SG 3.42Å; Y453-C457 PolarHBondContact OH-SG 3.48Å; Y453-C457 VanDerWaalsContact OH-SG 3.33Å; Y453-V502 HydrophobicContact CD2-CG1 4.25Å; Y453-V502 HydrophobicContact CE2-CG1 3.12Å; Y453-V502 VanDerWaalsContact CZ-CG1 3.44Å; Y453-V502 WeakPolarHBondContact OH-CG1 3.34Å; Y453-H515 HydrophobicContact CD1-CB 3.86Å; Y453-H515 AromaticContact CD1-CD2 3.77Å; Y453-H515 AromaticContact CD1-CG 3.67Å; Y453-H515 HydrophobicContact CE1-CB 4.13Å; Y453-M518 HydrophobicContact CD1-CE 3.62Å; Y453-M518 HydrophobicContact CE1-CB 4.14Å; Y453-M518 HydrophobicContact CE1-CE 4.18Å; Y453-M518 HydrophobicContact CG-CE 4.3Å; Y453-D519 PolarHBondContact OH-OD1 2.75Å
454E87.6Confident88.1Confident148 Ų14836.1 Ų36.169%0.69219%0.186SC*.Hα-helixtrans-54-43.5178-173-178.4-179.700113.2E452 T456 C457 A458 M518E452-E454 PolarHBondContact O-N 3.44Å; E452-E454 VanDerWaalsContact O-N 3.08Å; E454-T456 PolarHBondContact O-N 3.29Å; E454-C457 PolarHBondContact O-N 2.9Å; E454-A458 WeakPolarHBondContact O-CB 3.11Å; E454-A458 PolarHBondContact O-N 3Å; E454-M518 HydrophobicContact CB-SD 4.24Å; E454-M518 HydrophobicContact CG-SD 4.44Å
455K87.9Confident88.3Confident114 Ų11438 Ų3850%0.49620%0.196SC..Hα-helixtrans-66.3-40.8-179.6-65.6175.4-172.7152.20111.3P406 E452 Y453 L459P406-K455 HydrophobicContact CB-CD 4.36Å; P406-K455 HydrophobicContact CG-CD 4.44Å; E452-K455 HydrophobicContact CB-CD 4.33Å; E452-K455 PolarHBondContact O-N 2.78Å; E452-K455 VanDerWaalsContact O-N 3.11Å; E452-K455 WeakPolarHBondContact OE2-CE 3.34Å; E452-K455 IonicContact OE2-NZ 2.88Å; E452-K455 PolarHBondContact OE2-NZ 3.03Å; Y453-K455 VanDerWaalsContact C-N 3.32Å; Y453-K455 PolarHBondContact O-N 3.33Å; K455-L459 PolarHBondContact O-N 2.77Å
456T88.3Confident88.5Confident3 Ų342.8 Ų42.82%0.01822%0.219CC..Hα-helixtrans-65.3-44.8177.3-56.90000111.1T409 S449 Y453 E454 L459 L460 V502T409-T456 HydrophobicContact CG2-CG2 3.78Å; S449-T456 WeakPolarHBondContact O-CB 3.39Å; S449-T456 PolarHBondContact O-OG1 3.39Å; Y453-T456 PolarHBondContact O-N 3.4Å; Y453-T456 VanDerWaalsContact O-N 3.16Å; E454-T456 PolarHBondContact O-N 3.29Å; T456-L459 PolarHBondContact O-N 2.97Å; T456-L460 HydrophobicContact CG2-CD1 4.21Å; T456-L460 WeakPolarHBondContact O-CG 3.42Å; T456-L460 PolarHBondContact O-N 3.5Å; T456-V502 HydrophobicContact CG2-CG2 4.5Å
457C88.6Confident88.5Confident7 Ų742.3 Ų42.35%0.04722%0.215CC..Hα-helixtrans-59.4-48.8176.3-72.90000112.3Y453 E454 L459 L460 V461 M518Y453-C457 WeakPolarHBondContact CE2-SG 3.21Å; Y453-C457 PolarHBondContact O-N 3.46Å; Y453-C457 PolarHBondContact O-SG 2.98Å; Y453-C457 VanDerWaalsContact O-SG 3.42Å; Y453-C457 PolarHBondContact OH-SG 3.48Å; Y453-C457 VanDerWaalsContact OH-SG 3.33Å; E454-C457 PolarHBondContact O-N 2.9Å; C457-L459 VanDerWaalsContact C-N 3.27Å; C457-L459 PolarHBondContact O-N 3.25Å; C457-L460 PolarHBondContact O-N 3.23Å; C457-V461 WeakPolarHBondContact O-CB 3.3Å; C457-V461 WeakPolarHBondContact O-CG2 3.48Å; C457-V461 PolarHBondContact O-N 3.46Å; C457-M518 HydrophobicContact CB-CB 4.41Å; C457-M518 HydrophobicContact CB-SD 3.92Å
458A91.6Very high88.5Confident61 Ų6141.4 Ų41.450%0.50421%0.211SC..Hα-helixtrans-58.2-42-179.900000111.7E454 Q462E454-A458 WeakPolarHBondContact O-CB 3.11Å; E454-A458 PolarHBondContact O-N 3Å; A458-Q462 WeakPolarHBondContact O-CB 3.04Å; A458-Q462 PolarHBondContact O-N 3.34Å; A458-Q462 VanDerWaalsContact O-N 3.09Å
459L91.3Very high88.5Confident29 Ų2946.3 Ų46.315%0.15223%0.234CC..Hα-helixtrans-63.4-48.6175.5178.667.4000112.2K410 I413 K455 T456 C457 Q462 L463K410-L459 HydrophobicContact CB-CD2 3.72Å; K410-L459 HydrophobicContact CG-CD2 3.7Å; I413-L459 HydrophobicContact CD1-CD2 4.14Å; K455-L459 PolarHBondContact O-N 2.77Å; T456-L459 PolarHBondContact O-N 2.97Å; C457-L459 VanDerWaalsContact C-N 3.27Å; C457-L459 PolarHBondContact O-N 3.25Å; L459-Q462 PolarHBondContact O-N 3.16Å; L459-L463 HydrophobicContact CD1-CD1 3.86Å; L459-L463 HydrophobicContact CD1-CG 4.21Å; L459-L463 HydrophobicContact CG-CD1 3.9Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.25Å
460L91.6Very high88.5Confident1 Ų148.8 Ų48.81%0.00525%0.247CC..Hα-helixtrans-63-42.5-179.8-76.2175.9000111.8I413 T456 C457 L463 F464 L495 L498 V502 L522I413-L460 HydrophobicContact CD1-CD2 3.8Å; I413-L460 HydrophobicContact CD1-CG 4.22Å; I413-L460 HydrophobicContact CG1-CD2 4.5Å; I413-L460 HydrophobicContact CG2-CD2 4.35Å; T456-L460 HydrophobicContact CG2-CD1 4.21Å; T456-L460 WeakPolarHBondContact O-CG 3.42Å; T456-L460 PolarHBondContact O-N 3.5Å; C457-L460 PolarHBondContact O-N 3.23Å; L460-L463 PolarHBondContact O-N 3.13Å; L460-F464 WeakPolarHBondContact O-CB 3.37Å; L460-F464 PolarHBondContact O-N 3.2Å; L460-L495 HydrophobicContact CD2-CD2 4.27Å; L460-L498 HydrophobicContact CD2-CB 4.16Å; L460-V502 HydrophobicContact CD1-CG2 3.93Å; L460-L522 HydrophobicContact CB-CD2 3.81Å; L460-L522 HydrophobicContact CD1-CD1 4.32Å
461V92.3Very high88.5Confident31 Ų3147.1 Ų47.119%0.18824%0.241CC..Hα-helixtrans-57.1-51.2174.8162.70000110.7C457 L463 F464 D465 E521 L522 R525C457-V461 WeakPolarHBondContact O-CB 3.3Å; C457-V461 WeakPolarHBondContact O-CG2 3.48Å; C457-V461 PolarHBondContact O-N 3.46Å; V461-L463 PolarHBondContact O-N 2.85Å; V461-F464 PolarHBondContact O-N 3.44Å; V461-D465 WeakPolarHBondContact O-CB 3.18Å; V461-D465 PolarHBondContact O-N 3.01Å; V461-E521 HydrophobicContact CG2-CG 4.44Å; V461-L522 HydrophobicContact CG2-CD2 3.71Å; V461-R525 VanDerWaalsContact CG1-NH2 3.27Å
462Q93.6Very high88.5Confident127 Ų12750.6 Ų50.659%0.59326%0.256SS*.Hα-helixtrans-59.5-47.5-179.3-177.1-176.3-0.400112A458 L459 Q466A458-Q462 WeakPolarHBondContact O-CB 3.04Å; A458-Q462 PolarHBondContact O-N 3.34Å; A458-Q462 VanDerWaalsContact O-N 3.09Å; L459-Q462 PolarHBondContact O-N 3.16Å; Q462-Q466 WeakPolarHBondContact O-CB 3.48Å; Q462-Q466 PolarHBondContact O-N 3.4Å; Q462-Q466 VanDerWaalsContact O-N 3.12Å
463L91.6Very high88.5Confident25 Ų2552.7 Ų52.713%0.13126%0.264CS..Hα-helixtrans-68.1-39.7-179.2-68.5172.9000111.7I413 L417 L459 L460 V461 N467 L495I413-L463 HydrophobicContact CG2-CD1 3.6Å; L417-L463 HydrophobicContact CD1-CB 4.39Å; L417-L463 HydrophobicContact CD1-CD1 3.86Å; L417-L463 HydrophobicContact CD1-CD2 4.41Å; L417-L463 HydrophobicContact CD1-CG 4.46Å; L459-L463 HydrophobicContact CD1-CD1 3.86Å; L459-L463 HydrophobicContact CD1-CG 4.21Å; L459-L463 HydrophobicContact CG-CD1 3.9Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.25Å; L460-L463 PolarHBondContact O-N 3.13Å; V461-L463 PolarHBondContact O-N 2.85Å; L463-N467 PolarHBondContact O-N 2.76Å; L463-N467 VanDerWaalsContact O-N 3.08Å; L463-N467 PolarHBondContact O-ND2 3.24Å; L463-L495 HydrophobicContact CB-CD2 4.08Å
464F92.2Very high88.1Confident4 Ų454.3 Ų54.32%0.01827%0.272CS..Hα-helixtrans-65-48.6178.8-158-69.8000111.3L460 V461 Q466 N467 A468 L495 V496 V499 R525 V526 L529L460-F464 WeakPolarHBondContact O-CB 3.37Å; L460-F464 PolarHBondContact O-N 3.2Å; V461-F464 PolarHBondContact O-N 3.44Å; F464-Q466 VanDerWaalsContact C-N 3.31Å; F464-Q466 PolarHBondContact O-N 3.31Å; F464-N467 PolarHBondContact O-N 2.89Å; F464-A468 HydrophobicContact CD1-CB 4.24Å; F464-A468 HydrophobicContact CE1-CB 4.35Å; F464-A468 WeakPolarHBondContact O-CB 3.11Å; F464-A468 PolarHBondContact O-N 3.17Å; F464-L495 HydrophobicContact CB-CD1 4.41Å; F464-L495 HydrophobicContact CD2-CB 3.8Å; F464-L495 HydrophobicContact CD2-CD1 4.3Å; F464-L495 HydrophobicContact CE2-CB 4.11Å; F464-L495 HydrophobicContact CG-CD1 4.5Å; F464-V496 HydrophobicContact CE2-CG2 4.08Å; F464-V496 HydrophobicContact CZ-CG2 4.34Å; F464-V499 HydrophobicContact CD2-CG2 4.39Å; F464-R525 HydrophobicContact CD1-CB 3.71Å; F464-R525 HydrophobicContact CD1-CG 4.28Å; F464-R525 HydrophobicContact CE1-CB 3.7Å; F464-R525 HydrophobicContact CG-CB 4.22Å; F464-R525 HydrophobicContact CZ-CB 4.2Å; F464-V526 HydrophobicContact CE2-CG2 4.13Å; F464-V526 HydrophobicContact CZ-CG2 4.33Å; F464-L529 HydrophobicContact CE1-CB 4.43Å; F464-L529 HydrophobicContact CZ-CB 4.21Å; F464-L529 HydrophobicContact CZ-CD2 3.85Å
465D90.1Very high87.3Confident52 Ų5250.3 Ų50.328%0.27826%0.255SS..Hα-helixtrans-62-40.7-179.7-70.1-15.9000111.2V461 Q469 R525V461-D465 WeakPolarHBondContact O-CB 3.18Å; V461-D465 PolarHBondContact O-N 3.01Å; D465-Q469 WeakPolarHBondContact O-CB 3.48Å; D465-Q469 WeakPolarHBondContact O-CG 3.44Å; D465-Q469 PolarHBondContact O-N 3.19Å; D465-R525 WeakPolarHBondContact OD1-CD 3.26Å; D465-R525 IonicContact OD1-CZ 2.71Å; D465-R525 IonicContact OD1-NE 2.93Å; D465-R525 PolarHBondContact OD1-NE 3.42Å; D465-R525 IonicContact OD1-NH2 3.36Å; D465-R525 IonicContact OD2-CZ 3.54Å; D465-R525 IonicContact OD2-NE 3.73Å; D465-R525 PolarHBondContact OD2-NE 3.15Å; D465-R525 IonicContact OD2-NH2 2.65Å; D465-R525 PolarHBondContact OD2-NH2 3.01Å
466Q91.1Very high86.5Confident102 Ų10250.9 Ų50.948%0.47726%0.259SS..Hα-helixtrans-62.9-48.5176.9-173-179.814.200112.4Q462 F464 N470Q462-Q466 WeakPolarHBondContact O-CB 3.48Å; Q462-Q466 PolarHBondContact O-N 3.4Å; Q462-Q466 VanDerWaalsContact O-N 3.12Å; F464-Q466 VanDerWaalsContact C-N 3.31Å; F464-Q466 PolarHBondContact O-N 3.31Å; Q466-N470 PolarHBondContact O-N 2.98Å; Q466-N470 VanDerWaalsContact O-N 3.15Å; Q466-N470 PolarHBondContact O-ND2 3.24Å
467N87.3Confident84.9Confident8 Ų857.2 Ų57.24%0.04330%0.301CS..Hα-helixtrans-72.7-36.3-178.2-71.2-77.6000111.9L463 F464 N470 Y471 Q488 R491 L492 L495L463-N467 PolarHBondContact O-N 2.76Å; L463-N467 VanDerWaalsContact O-N 3.08Å; L463-N467 PolarHBondContact O-ND2 3.24Å; F464-N467 PolarHBondContact O-N 2.89Å; N467-N470 PolarHBondContact O-N 3.04Å; N467-Y471 WeakPolarHBondContact O-CB 3.33Å; N467-Y471 PolarHBondContact O-N 2.97Å; N467-Q488 PolarHBondContact OD1-OE1 3.17Å; N467-R491 VanDerWaalsContact OD1-CD 3.3Å; N467-R491 WeakPolarHBondContact OD1-CD 3.49Å; N467-L492 HydrophobicContact CB-CD2 4.08Å; N467-L495 HydrophobicContact CB-CD1 4.06Å
468A85.6Confident83.3Confident18 Ų1862.3 Ų62.315%0.14934%0.336CS..Hα-helixtrans-64.7-42.6175.800000112.1F464 N470 Y471 Q472 L492F464-A468 HydrophobicContact CD1-CB 4.24Å; F464-A468 HydrophobicContact CE1-CB 4.35Å; F464-A468 WeakPolarHBondContact O-CB 3.11Å; F464-A468 PolarHBondContact O-N 3.17Å; A468-N470 VanDerWaalsContact C-N 3.34Å; A468-N470 PolarHBondContact O-N 3.04Å; A468-Y471 PolarHBondContact O-N 3.18Å; A468-Q472 WeakPolarHBondContact O-CG 3.39Å; A468-Q472 PolarHBondContact O-N 3.23Å; A468-L492 HydrophobicContact CB-CD2 4.42Å
469Q87.1Confident81.4Confident104 Ų10461.3 Ų61.349%0.48633%0.326SS..Hα-helixtrans-63.7-39174.4-73.7174.12000112.2D465 K473D465-Q469 WeakPolarHBondContact O-CB 3.48Å; D465-Q469 WeakPolarHBondContact O-CG 3.44Å; D465-Q469 PolarHBondContact O-N 3.19Å; Q469-K473 VanDerWaalsContact O-CG 3.28Å; Q469-K473 WeakPolarHBondContact O-CG 3.48Å; Q469-K473 PolarHBondContact O-N 2.67Å
470N85.8Confident79.6Confident52 Ų5264 Ų6428%0.27836%0.36SS..Hα-helixtrans-65.3-42.6176-70.4-20.5000111.5Q466 N467 A468 K473 L474Q466-N470 PolarHBondContact O-N 2.98Å; Q466-N470 VanDerWaalsContact O-N 3.15Å; Q466-N470 PolarHBondContact O-ND2 3.24Å; N467-N470 PolarHBondContact O-N 3.04Å; A468-N470 VanDerWaalsContact C-N 3.34Å; A468-N470 PolarHBondContact O-N 3.04Å; N470-K473 PolarHBondContact O-N 3.3Å; N470-L474 WeakPolarHBondContact O-CG 3.25Å; N470-L474 PolarHBondContact O-N 3.26Å; N470-L474 VanDerWaalsContact O-N 3.1Å
471Y83.5Confident78.1Confident5 Ų567.1 Ų67.12%0.0238%0.379CS..Hα-helixtrans-61.8-46.1175.6-177.2-114.9000112N467 A468 K473 L474 L475 I485 Q488 E489 L492N467-Y471 WeakPolarHBondContact O-CB 3.33Å; N467-Y471 PolarHBondContact O-N 2.97Å; A468-Y471 PolarHBondContact O-N 3.18Å; Y471-K473 VanDerWaalsContact C-N 3.31Å; Y471-K473 PolarHBondContact O-N 3.06Å; Y471-L474 PolarHBondContact O-N 3.41Å; Y471-L474 VanDerWaalsContact O-N 3.1Å; Y471-L475 HydrophobicContact CD1-CD1 3.84Å; Y471-L475 HydrophobicContact CD1-CG 4.48Å; Y471-L475 HydrophobicContact CE1-CD1 3.52Å; Y471-L475 HydrophobicContact CE1-CD2 4.48Å; Y471-L475 HydrophobicContact CE1-CG 4.19Å; Y471-L475 HydrophobicContact CE2-CD2 4.36Å; Y471-L475 HydrophobicContact CE2-CG 4.39Å; Y471-L475 HydrophobicContact CG-CD1 4.5Å; Y471-L475 WeakPolarHBondContact O-CG 3.34Å; Y471-L475 PolarHBondContact O-N 2.92Å; Y471-I485 HydrophobicContact CE2-CG2 4.16Å; Y471-Q488 HydrophobicContact CD2-CB 4.12Å; Y471-E489 HydrophobicContact CD2-CG 4.38Å; Y471-E489 HydrophobicContact CE2-CG 3.66Å; Y471-L492 HydrophobicContact CD1-CD1 3.89Å; Y471-L492 HydrophobicContact CD2-CD1 4.32Å; Y471-L492 HydrophobicContact CG-CD1 3.75Å
472Q82.4Confident77.1Confident84 Ų8470.9 Ų70.939%0.39340%0.403SS..Hα-helixtrans-58.3-40.7174.8-75.3179.5-7.500112.9A468 L474 L475 H476 L532A468-Q472 WeakPolarHBondContact O-CG 3.39Å; A468-Q472 PolarHBondContact O-N 3.23Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 2.78Å; Q472-L475 PolarHBondContact O-N 3.33Å; Q472-H476 PolarHBondContact O-CD2 3.04Å; Q472-L532 HydrophobicContact CG-CD1 4.4Å; Q472-L532 HydrophobicContact CG-CD2 4.12Å
473K82.8Confident76.3Confident129 Ų12967.8 Ų67.856%0.56139%0.392SS*.Hα-helixtrans-62.6-38.9175.9-72.9168.7-172.5170.30112.1Q469 N470 Y471 H476Q469-K473 VanDerWaalsContact O-CG 3.28Å; Q469-K473 WeakPolarHBondContact O-CG 3.48Å; Q469-K473 PolarHBondContact O-N 2.67Å; N470-K473 PolarHBondContact O-N 3.3Å; Y471-K473 VanDerWaalsContact C-N 3.31Å; Y471-K473 PolarHBondContact O-N 3.06Å; K473-H476 PolarHBondContact O-N 2.9Å
474L77.4Confident75.7Confident36 Ų3669.2 Ų69.219%0.18840%0.4CS..Hα-helixtrans-75.8-23.3-179-68.8170.7000113.5N470 Y471 Q472 H476 S479 D484 I485 Q488N470-L474 WeakPolarHBondContact O-CG 3.25Å; N470-L474 PolarHBondContact O-N 3.26Å; N470-L474 VanDerWaalsContact O-N 3.1Å; Y471-L474 PolarHBondContact O-N 3.41Å; Y471-L474 VanDerWaalsContact O-N 3.1Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 2.78Å; L474-H476 PolarHBondContact O-N 3.44Å; L474-S479 PolarHBondContact O-OG 3.38Å; L474-D484 HydrophobicContact CD1-CB 4.28Å; L474-I485 HydrophobicContact CB-CG1 4.22Å; L474-Q488 HydrophobicContact CD1-CG 3.63Å
475L72.1Confident75.2Confident65 Ų6571 Ų7134%0.3441%0.409SS..THydrogen-bonded Turntrans-72-14.6174.8-73.8171.2000113.4Y471 Q472 C540Y471-L475 HydrophobicContact CD1-CD1 3.84Å; Y471-L475 HydrophobicContact CD1-CG 4.48Å; Y471-L475 HydrophobicContact CE1-CD1 3.52Å; Y471-L475 HydrophobicContact CE1-CD2 4.48Å; Y471-L475 HydrophobicContact CE1-CG 4.19Å; Y471-L475 HydrophobicContact CE2-CD2 4.36Å; Y471-L475 HydrophobicContact CE2-CG 4.39Å; Y471-L475 HydrophobicContact CG-CD1 4.5Å; Y471-L475 WeakPolarHBondContact O-CG 3.34Å; Y471-L475 PolarHBondContact O-N 2.92Å; Q472-L475 PolarHBondContact O-N 3.33Å; L475-C540 HydrophobicContact CD2-CB 4.48Å; L475-C540 VanDerWaalsContact CD2-SG 3.58Å
476H69.8Low74.7Confident125 Ų12571 Ų7158%0.57941%0.411SS*.SBendtrans-72139.4173.5-74.7-66.8000111.1Q472 K473 L474 S478Q472-H476 PolarHBondContact O-CD2 3.04Å; K473-H476 PolarHBondContact O-N 2.9Å; L474-H476 PolarHBondContact O-N 3.44Å; H476-S478 PolarHBondContact O-N 3.45Å
477P56.2Low74.4Confident136 Ų13666.3 Ų66.388%0.88339%0.389SS*.THydrogen-bonded Turntrans-67.811.4-162.424.8-34000116.8
478S53.1Low74.3Confident114 Ų11466.8 Ų66.880%0.79739%0.391SS*.THydrogen-bonded Turntrans-108-1.3-175.145.20000115.4H476H476-S478 PolarHBondContact O-N 3.45Å
479S52.2Low74.3Confident41 Ų4166.5 Ų66.529%0.28739%0.387SS..  trans-122.582.8178.351.80000112.4L474 V481L474-S479 PolarHBondContact O-OG 3.38Å; S479-V481 VanDerWaalsContact C-N 3.26Å; S479-V481 PolarHBondContact O-N 3.49Å
480G53.2Low74.2Confident84 Ų8461.8 Ų61.887%0.86637%0.366SS*.  trans-77.457.8179.100000114.7
481V61.8Low74.4Confident67 Ų6762.1 Ų62.141%0.40636%0.363SS..  trans-113.694.7168.3-169.50000108.9S479 V483 D484 I485S479-V481 VanDerWaalsContact C-N 3.26Å; S479-V481 PolarHBondContact O-N 3.49Å; V481-V483 HydrophobicContact CG1-CB 4.23Å; V481-V483 PolarHBondContact O-N 2.95Å; V481-D484 HydrophobicContact CB-CB 4.23Å; V481-D484 HydrophobicContact CG1-CB 4.16Å; V481-D484 WeakPolarHBondContact CG1-OD2 3.47Å; V481-D484 PolarHBondContact O-N 3.39Å; V481-I485 PolarHBondContact O-N 3.14Å
482T69.8Low74.7Confident111 Ų11161.9 Ų61.968%0.68136%0.362SS*.Hα-helixtrans-55.9-33.3178.549.10000112.5I485 T486T482-I485 PolarHBondContact O-N 2.96Å; T482-T486 WeakPolarHBondContact O-CG2 3.49Å; T482-T486 PolarHBondContact O-N 3.02Å; T482-T486 VanDerWaalsContact O-N 3.12Å; T482-T486 PolarHBondContact O-OG1 3.34Å
483V76.3Confident75.1Confident61 Ų6157.9 Ų57.937%0.3734%0.344SS..Hα-helixtrans-66.6-43.9179.2-176.80000111.9V424 V481 I485 T486 I487V424-V483 HydrophobicContact CG1-CG1 4Å; V481-V483 HydrophobicContact CG1-CB 4.23Å; V481-V483 PolarHBondContact O-N 2.95Å; V483-I485 VanDerWaalsContact C-N 3.29Å; V483-I485 PolarHBondContact O-N 3.06Å; V483-T486 WeakPolarHBondContact CA-OG1 3.29Å; V483-T486 PolarHBondContact O-N 3.29Å; V483-T486 PolarHBondContact O-OG1 2.81Å; V483-I487 HydrophobicContact CG1-CD1 4.12Å; V483-I487 WeakPolarHBondContact O-CG1 3.5Å; V483-I487 PolarHBondContact O-N 3Å
484D80.1Confident75.5Confident56 Ų5651.8 Ų51.830%0.29932%0.317SS..Hα-helixtrans-67.9-33-179.4-72-32.2000111.8L474 V481 I487 Q488L474-D484 HydrophobicContact CD1-CB 4.28Å; V481-D484 HydrophobicContact CB-CB 4.23Å; V481-D484 HydrophobicContact CG1-CB 4.16Å; V481-D484 WeakPolarHBondContact CG1-OD2 3.47Å; V481-D484 PolarHBondContact O-N 3.39Å; D484-I487 PolarHBondContact O-N 2.88Å; D484-Q488 WeakPolarHBondContact O-CG 3.41Å; D484-Q488 PolarHBondContact O-N 2.99Å; D484-Q488 VanDerWaalsContact O-N 3.08Å
485I80.6Confident76.2Confident40 Ų4050.1 Ų50.121%0.20531%0.308CS..Hα-helixtrans-62.3-51171.6-63.2171.9000109.6Y471 L474 V481 T482 V483 I487 Q488 E489Y471-I485 HydrophobicContact CE2-CG2 4.16Å; L474-I485 HydrophobicContact CB-CG1 4.22Å; V481-I485 PolarHBondContact O-N 3.14Å; T482-I485 PolarHBondContact O-N 2.96Å; V483-I485 VanDerWaalsContact C-N 3.29Å; V483-I485 PolarHBondContact O-N 3.06Å; I485-I487 VanDerWaalsContact C-N 3.3Å; I485-I487 PolarHBondContact O-N 3.4Å; I485-Q488 PolarHBondContact O-N 3.04Å; I485-Q488 VanDerWaalsContact O-N 3.14Å; I485-E489 HydrophobicContact CG2-CG 4.25Å; I485-E489 VanDerWaalsContact O-CG 3.32Å; I485-E489 WeakPolarHBondContact O-CG 3.46Å; I485-E489 PolarHBondContact O-N 3.48Å
486T80.9Confident77.2Confident52 Ų5247 Ų4732%0.31929%0.292SS..Hα-helixtrans-61.5-34.3179.354.40000113.5V424 T482 V483 E489 G490V424-T486 WeakPolarHBondContact CG1-OG1 3.29Å; T482-T486 WeakPolarHBondContact O-CG2 3.49Å; T482-T486 PolarHBondContact O-N 3.02Å; T482-T486 VanDerWaalsContact O-N 3.12Å; T482-T486 PolarHBondContact O-OG1 3.34Å; V483-T486 WeakPolarHBondContact CA-OG1 3.29Å; V483-T486 PolarHBondContact O-N 3.29Å; V483-T486 PolarHBondContact O-OG1 2.81Å; T486-E489 PolarHBondContact O-N 2.98Å; T486-G490 PolarHBondContact O-N 2.96Å
487I84.7Confident78.2Confident4 Ų441.4 Ų41.42%0.02127%0.266CS..Hα-helixtrans-66-46.2174.8-68169.4000110.7V420 A421 V424 R425 V483 D484 I485 E489 G490 R491V420-I487 HydrophobicContact CG1-CG2 4.35Å; V420-I487 WeakPolarHBondContact CG1-O 3.26Å; A421-I487 HydrophobicContact CB-CG2 4.1Å; V424-I487 HydrophobicContact CB-CG1 3.84Å; V424-I487 HydrophobicContact CG1-CD1 4.45Å; V424-I487 HydrophobicContact CG1-CG1 3.76Å; V424-I487 HydrophobicContact CG2-CG1 4.27Å; R425-I487 HydrophobicContact CG-CD1 4.21Å; V483-I487 HydrophobicContact CG1-CD1 4.12Å; V483-I487 WeakPolarHBondContact O-CG1 3.5Å; V483-I487 PolarHBondContact O-N 3Å; D484-I487 PolarHBondContact O-N 2.88Å; I485-I487 VanDerWaalsContact C-N 3.3Å; I485-I487 PolarHBondContact O-N 3.4Å; I487-E489 VanDerWaalsContact C-N 3.3Å; I487-E489 PolarHBondContact O-N 3.49Å; I487-G490 PolarHBondContact O-N 3.23Å; I487-R491 WeakPolarHBondContact O-CG 3.37Å; I487-R491 PolarHBondContact O-N 3.01Å
488Q85.6Confident79.9Confident18 Ų1835 Ų358%0.08423%0.225CC..Hα-helixtrans-65.2-37.9177-65.9-45.4-5800111.4N467 Y471 L474 D484 I485 R491 L492N467-Q488 PolarHBondContact OD1-OE1 3.17Å; Y471-Q488 HydrophobicContact CD2-CB 4.12Å; L474-Q488 HydrophobicContact CD1-CG 3.63Å; D484-Q488 WeakPolarHBondContact O-CG 3.41Å; D484-Q488 PolarHBondContact O-N 2.99Å; D484-Q488 VanDerWaalsContact O-N 3.08Å; I485-Q488 PolarHBondContact O-N 3.04Å; I485-Q488 VanDerWaalsContact O-N 3.14Å; Q488-R491 PolarHBondContact O-N 3.18Å; Q488-L492 WeakPolarHBondContact O-CB 3.42Å; Q488-L492 WeakPolarHBondContact O-CG 3.35Å; Q488-L492 PolarHBondContact O-N 3Å
489E84.9Confident81.7Confident13 Ų1329.7 Ų29.76%0.06119%0.187CC..Hα-helixtrans-63-44.3176.6-71.9175.9155.900112.1Y471 I485 T486 I487 R491 L492 A493 N542 I545Y471-E489 HydrophobicContact CD2-CG 4.38Å; Y471-E489 HydrophobicContact CE2-CG 3.66Å; I485-E489 HydrophobicContact CG2-CG 4.25Å; I485-E489 VanDerWaalsContact O-CG 3.32Å; I485-E489 WeakPolarHBondContact O-CG 3.46Å; I485-E489 PolarHBondContact O-N 3.48Å; T486-E489 PolarHBondContact O-N 2.98Å; I487-E489 VanDerWaalsContact C-N 3.3Å; I487-E489 PolarHBondContact O-N 3.49Å; E489-R491 PolarHBondContact O-N 3.32Å; E489-L492 PolarHBondContact O-N 2.72Å; E489-A493 WeakPolarHBondContact O-CB 3.39Å; E489-A493 PolarHBondContact O-N 2.97Å; E489-N542 HydrophobicContact CB-CB 4.32Å; E489-N542 WeakPolarHBondContact CB-ND2 3.42Å; E489-N542 HydrophobicContact CG-CB 4.38Å; E489-N542 WeakPolarHBondContact OE2-CB 3.35Å; E489-N542 PolarHBondContact OE2-ND2 3.44Å; E489-I545 HydrophobicContact CB-CD1 3.52Å; E489-I545 HydrophobicContact CB-CG1 4.24Å; E489-I545 HydrophobicContact CG-CD1 3.68Å; E489-I545 VanDerWaalsContact O-CG1 3.26Å; E489-I545 WeakPolarHBondContact O-CG1 3.38Å
490G85.6Confident83.5Confident5 Ų527.7 Ų27.75%0.05217%0.173CC..Hα-helixtrans-63.5-38.2175.200000113T486 I487 A493 W494T486-G490 PolarHBondContact O-N 2.96Å; I487-G490 PolarHBondContact O-N 3.23Å; G490-A493 PolarHBondContact O-N 3.4Å; G490-W494 PolarHBondContact O-N 3.45Å; G490-W494 VanDerWaalsContact O-N 3.08Å
491R89.4Confident85.2Confident58 Ų5824 Ų2422%0.21913%0.133CC..Hα-helixtrans-65.3-43.2174.5-74.5178.7177.5174.53112.1L417 V420 N467 I487 Q488 E489 W494 L495L417-R491 HydrophobicContact CD2-CB 4.04Å; L417-R491 HydrophobicContact CD2-CG 4.22Å; L417-R491 WeakPolarHBondContact CD2-O 3.28Å; L417-R491 PolarHBondContact O-NE 3.04Å; L417-R491 VanDerWaalsContact O-NE 3.14Å; V420-R491 HydrophobicContact CB-CG 4.12Å; V420-R491 HydrophobicContact CG1-CG 4.21Å; V420-R491 HydrophobicContact CG2-CG 4.37Å; N467-R491 VanDerWaalsContact OD1-CD 3.3Å; N467-R491 WeakPolarHBondContact OD1-CD 3.49Å; I487-R491 WeakPolarHBondContact O-CG 3.37Å; I487-R491 PolarHBondContact O-N 3.01Å; Q488-R491 PolarHBondContact O-N 3.18Å; E489-R491 PolarHBondContact O-N 3.32Å; R491-W494 PolarHBondContact O-N 3.42Å; R491-L495 WeakPolarHBondContact O-CG 3.36Å; R491-L495 PolarHBondContact O-N 3.38Å
492L90Very high86.4Confident0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-64.8-39.4175.4-72.2171.9000111.3N467 A468 Y471 Q488 E489 W494 L495 V496 L529N467-L492 HydrophobicContact CB-CD2 4.08Å; A468-L492 HydrophobicContact CB-CD2 4.42Å; Y471-L492 HydrophobicContact CD1-CD1 3.89Å; Y471-L492 HydrophobicContact CD2-CD1 4.32Å; Y471-L492 HydrophobicContact CG-CD1 3.75Å; Q488-L492 WeakPolarHBondContact O-CB 3.42Å; Q488-L492 WeakPolarHBondContact O-CG 3.35Å; Q488-L492 PolarHBondContact O-N 3Å; E489-L492 PolarHBondContact O-N 2.72Å; L492-W494 PolarHBondContact O-N 2.63Å; L492-L495 HydrophobicContact CD2-CD1 4.38Å; L492-L495 PolarHBondContact O-N 2.96Å; L492-V496 VanDerWaalsContact O-CG2 3.29Å; L492-V496 WeakPolarHBondContact O-CG2 3.14Å; L492-V496 PolarHBondContact O-N 3.24Å; L492-L529 HydrophobicContact CB-CD2 4.34Å; L492-L529 HydrophobicContact CD1-CD1 4.11Å; L492-L529 HydrophobicContact CD2-CD2 4.45Å
493A90Very high87.2Confident0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-58.4-48.4174.500000111.7L432 E489 G490 L495 V496 Y497 K544 I545 A548L432-A493 HydrophobicContact CD1-CB 4.22Å; E489-A493 WeakPolarHBondContact O-CB 3.39Å; E489-A493 PolarHBondContact O-N 2.97Å; G490-A493 PolarHBondContact O-N 3.4Å; A493-L495 PolarHBondContact O-N 2.93Å; A493-V496 PolarHBondContact O-N 3.07Å; A493-Y497 VanDerWaalsContact O-CD2 3.25Å; A493-Y497 WeakPolarHBondContact O-CD2 3.41Å; A493-Y497 PolarHBondContact O-N 3.16Å; A493-K544 HydrophobicContact CB-CB 4.35Å; A493-I545 HydrophobicContact CB-CG1 3.96Å; A493-A548 HydrophobicContact CB-CB 4.29Å; A493-A548 WeakPolarHBondContact O-CB 3.44Å
494W91.6Very high87.5Confident2 Ų213.8 Ų13.81%0.0088%0.076CC..Hα-helixtrans-59.5-44174.2-90.1107.8000112.7R416 L417 V420 P431 L432 V438 L442 G490 R491 L492 V496 Y497 L498R416-W494 HydrophobicContact CB-CD2 3.99Å; R416-W494 HydrophobicContact CB-CE3 4.16Å; R416-W494 HydrophobicContact CB-CG 4.39Å; R416-W494 HydrophobicContact CG-CD2 4.48Å; R416-W494 HydrophobicContact CG-CE3 4.29Å; R416-W494 HydrophobicContact CG-CH2 4.26Å; R416-W494 HydrophobicContact CG-CZ2 4.44Å; R416-W494 HydrophobicContact CG-CZ3 4.18Å; L417-W494 HydrophobicContact CD2-CB 4.01Å; V420-W494 VanDerWaalsContact CG2-CD1 3.49Å; P431-W494 HydrophobicContact CB-CZ2 4.24Å; L432-W494 HydrophobicContact CD2-CD2 3.93Å; L432-W494 VanDerWaalsContact CD2-CE2 3.47Å; L432-W494 HydrophobicContact CD2-CE3 4.43Å; L432-W494 HydrophobicContact CD2-CG 4.41Å; L432-W494 HydrophobicContact CD2-CH2 4.14Å; L432-W494 HydrophobicContact CD2-CZ2 3.6Å; L432-W494 HydrophobicContact CG-CZ2 4.03Å; V438-W494 HydrophobicContact CG1-CH2 3.96Å; V438-W494 HydrophobicContact CG1-CZ3 4.13Å; V438-W494 HydrophobicContact CG2-CH2 4.07Å; L442-W494 HydrophobicContact CD2-CZ3 4.41Å; G490-W494 PolarHBondContact O-N 3.45Å; G490-W494 VanDerWaalsContact O-N 3.08Å; R491-W494 PolarHBondContact O-N 3.42Å; L492-W494 PolarHBondContact O-N 2.63Å; W494-V496 PolarHBondContact O-N 2.94Å; W494-Y497 PolarHBondContact O-N 2.88Å; W494-L498 WeakPolarHBondContact O-CB 3.16Å; W494-L498 WeakPolarHBondContact O-CD1 3.39Å; W494-L498 WeakPolarHBondContact O-CG 3.48Å; W494-L498 PolarHBondContact O-N 3.42Å
495L92.8Very high87.3Confident0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-62.4-40.7177.6-75.4169.1000112.3L417 L460 L463 F464 N467 R491 L492 A493 L498 V499L417-L495 HydrophobicContact CD1-CD2 4.04Å; L417-L495 HydrophobicContact CD1-CG 4.44Å; L417-L495 HydrophobicContact CD2-CD1 4.49Å; L417-L495 HydrophobicContact CD2-CD2 4.3Å; L417-L495 HydrophobicContact CD2-CG 3.91Å; L460-L495 HydrophobicContact CD2-CD2 4.27Å; L463-L495 HydrophobicContact CB-CD2 4.08Å; F464-L495 HydrophobicContact CB-CD1 4.41Å; F464-L495 HydrophobicContact CD2-CB 3.8Å; F464-L495 HydrophobicContact CD2-CD1 4.3Å; F464-L495 HydrophobicContact CE2-CB 4.11Å; F464-L495 HydrophobicContact CG-CD1 4.5Å; N467-L495 HydrophobicContact CB-CD1 4.06Å; R491-L495 WeakPolarHBondContact O-CG 3.36Å; R491-L495 PolarHBondContact O-N 3.38Å; L492-L495 HydrophobicContact CD2-CD1 4.38Å; L492-L495 PolarHBondContact O-N 2.96Å; A493-L495 PolarHBondContact O-N 2.93Å; L495-L498 PolarHBondContact O-N 3.49Å; L495-V499 WeakPolarHBondContact O-CB 3.33Å; L495-V499 VanDerWaalsContact O-CG2 3.29Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 3.45Å
496V92.3Very high87.1Confident0 Ų011.7 Ų11.70%07%0.065CC..Hα-helixtrans-65.6-42.8176.3174.80000111F464 L492 A493 W494 L498 V499 G500 V526 L529 A548 I549 F552F464-V496 HydrophobicContact CE2-CG2 4.08Å; F464-V496 HydrophobicContact CZ-CG2 4.34Å; L492-V496 VanDerWaalsContact O-CG2 3.29Å; L492-V496 WeakPolarHBondContact O-CG2 3.14Å; L492-V496 PolarHBondContact O-N 3.24Å; A493-V496 PolarHBondContact O-N 3.07Å; W494-V496 PolarHBondContact O-N 2.94Å; V496-L498 VanDerWaalsContact C-N 3.34Å; V496-L498 PolarHBondContact O-N 2.9Å; V496-V499 PolarHBondContact O-N 3.24Å; V496-G500 PolarHBondContact O-N 3.47Å; V496-V526 HydrophobicContact CG1-CG1 4.03Å; V496-V526 HydrophobicContact CG2-CG1 4.34Å; V496-L529 HydrophobicContact CG2-CD2 3.77Å; V496-A548 HydrophobicContact CB-CB 3.93Å; V496-A548 VanDerWaalsContact CG1-C 3.48Å; V496-A548 HydrophobicContact CG1-CB 3.88Å; V496-A548 WeakPolarHBondContact CG1-O 3.14Å; V496-I549 HydrophobicContact CG1-CG1 4.33Å; V496-F552 HydrophobicContact CG1-CB 3.86Å
497Y92Very high86.5Confident8 Ų814.5 Ų14.53%0.0318%0.078CC..Hα-helixtrans-60.6-41171.7-82-56.3000112.4L432 F439 L442 A493 W494 T501 A548 W551L432-Y497 HydrophobicContact CD2-CD2 3.94Å; L432-Y497 HydrophobicContact CD2-CE2 3.9Å; F439-Y497 HydrophobicContact CE1-CD1 4.26Å; F439-Y497 AromaticContact CE1-CE1 3.62Å; F439-Y497 HydrophobicContact CE1-CE1 3.62Å; F439-Y497 HydrophobicContact CZ-CE1 4.33Å; L442-Y497 HydrophobicContact CD1-CD1 4.17Å; L442-Y497 HydrophobicContact CD1-CG 4.23Å; A493-Y497 VanDerWaalsContact O-CD2 3.25Å; A493-Y497 WeakPolarHBondContact O-CD2 3.41Å; A493-Y497 PolarHBondContact O-N 3.16Å; W494-Y497 PolarHBondContact O-N 2.88Å; Y497-T501 WeakPolarHBondContact O-CB 3.35Å; Y497-T501 PolarHBondContact O-N 3.39Å; Y497-T501 VanDerWaalsContact O-N 3.07Å; Y497-T501 PolarHBondContact O-OG1 2.9Å; Y497-A548 HydrophobicContact CD1-CB 4.24Å; Y497-A548 HydrophobicContact CD2-CB 3.62Å; Y497-A548 HydrophobicContact CE1-CB 4.11Å; Y497-A548 HydrophobicContact CE2-CB 3.49Å; Y497-A548 VanDerWaalsContact CE2-CB 3.49Å; Y497-A548 HydrophobicContact CG-CB 3.99Å; Y497-A548 VanDerWaalsContact CZ-CA 3.44Å; Y497-A548 PolarHBondContact OH-N 2.98Å; Y497-W551 HydrophobicContact CD1-CB 4.08Å; Y497-W551 AromaticContact CD1-CD2 3.75Å; Y497-W551 HydrophobicContact CD1-CD2 3.75Å; Y497-W551 AromaticContact CD1-CE3 3.7Å; Y497-W551 HydrophobicContact CD1-CE3 3.7Å; Y497-W551 AromaticContact CD1-CG 3.91Å; Y497-W551 HydrophobicContact CD1-CG 3.91Å; Y497-W551 HydrophobicContact CD1-CZ3 4.34Å; Y497-W551 HydrophobicContact CE1-CB 3.61Å; Y497-W551 HydrophobicContact CE1-CD2 4.08Å; Y497-W551 HydrophobicContact CE1-CE3 4.38Å; Y497-W551 AromaticContact CE1-CG 3.72Å; Y497-W551 HydrophobicContact CE1-CG 3.72Å; Y497-W551 WeakPolarHBondContact O-CH2 3.46Å; Y497-W551 WeakPolarHBondContact O-CZ3 3.39Å
498L90.6Very high85.3Confident2 Ų219.1 Ų19.11%0.0111%0.106CC..Hα-helixtrans-68-43177.9-71.9163000111.6F412 I413 L442 L445 L460 W494 L495 V496 T501 V502F412-L498 HydrophobicContact CD1-CD2 4.25Å; F412-L498 HydrophobicContact CE1-CD2 4.12Å; I413-L498 HydrophobicContact CB-CD1 4.27Å; I413-L498 HydrophobicContact CG1-CD1 3.89Å; I413-L498 HydrophobicContact CG1-CD2 4.08Å; I413-L498 HydrophobicContact CG2-CD1 3.91Å; L442-L498 HydrophobicContact CD2-CD2 4.01Å; L445-L498 HydrophobicContact CD2-CD2 3.73Å; L460-L498 HydrophobicContact CD2-CB 4.16Å; W494-L498 WeakPolarHBondContact O-CB 3.16Å; W494-L498 WeakPolarHBondContact O-CD1 3.39Å; W494-L498 WeakPolarHBondContact O-CG 3.48Å; W494-L498 PolarHBondContact O-N 3.42Å; L495-L498 PolarHBondContact O-N 3.49Å; V496-L498 VanDerWaalsContact C-N 3.34Å; V496-L498 PolarHBondContact O-N 2.9Å; L498-T501 WeakPolarHBondContact O-CB 3.43Å; L498-T501 PolarHBondContact O-N 3.27Å; L498-T501 VanDerWaalsContact O-N 3.14Å; L498-V502 WeakPolarHBondContact O-CB 3.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.21Å; L498-V502 PolarHBondContact O-N 3.34Å
499V91.7Very high83.9Confident1 Ų129 Ų291%0.00614%0.144CC..Hα-helixtrans-61.7-47.8177.1168.70000111F464 L495 V496 T501 V502 V503 L522 V526 F552F464-V499 HydrophobicContact CD2-CG2 4.39Å; L495-V499 WeakPolarHBondContact O-CB 3.33Å; L495-V499 VanDerWaalsContact O-CG2 3.29Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 3.45Å; V496-V499 PolarHBondContact O-N 3.24Å; V499-T501 PolarHBondContact O-N 2.89Å; V499-V502 PolarHBondContact O-N 2.61Å; V499-V503 HydrophobicContact CG1-CG2 4.34Å; V499-V503 WeakPolarHBondContact O-CB 3.43Å; V499-V503 WeakPolarHBondContact O-CG2 3.3Å; V499-V503 PolarHBondContact O-N 3.2Å; V499-L522 HydrophobicContact CG1-CB 3.91Å; V499-L522 HydrophobicContact CG2-CD2 4.4Å; V499-V526 HydrophobicContact CB-CG2 4.15Å; V499-V526 HydrophobicContact CG1-CG2 3.72Å; V499-F552 HydrophobicContact CG1-CD2 4.05Å; V499-F552 HydrophobicContact CG1-CE2 3.86Å
500G89.3Confident82.7Confident0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-65.6-24.9176.900000112.9V496 G504 Q555V496-G500 PolarHBondContact O-N 3.47Å; G500-G504 WeakPolarHBondContact O-CA 3.14Å; G500-G504 PolarHBondContact O-N 2.82Å; G500-Q555 VanDerWaalsContact O-CB 3.29Å; G500-Q555 WeakPolarHBondContact O-CB 3.22Å; G500-Q555 WeakPolarHBondContact O-CG 3.28Å
501T88.6Confident81.6Confident5 Ų533.4 Ų33.43%0.03117%0.172CC..Hα-helixtrans-70.5-49.8177.5-59.70000110.1L442 C446 Y497 L498 V499 G504 G505 W551L442-T501 HydrophobicContact CB-CG2 4.02Å; L442-T501 WeakPolarHBondContact CB-OG1 3.47Å; L442-T501 WeakPolarHBondContact CD2-OG1 3.25Å; L442-T501 WeakPolarHBondContact O-CG2 3.4Å; C446-T501 HydrophobicContact CB-CG2 3.62Å; C446-T501 PolarHBondContact SG-O 3.06Å; Y497-T501 WeakPolarHBondContact O-CB 3.35Å; Y497-T501 PolarHBondContact O-N 3.39Å; Y497-T501 VanDerWaalsContact O-N 3.07Å; Y497-T501 PolarHBondContact O-OG1 2.9Å; L498-T501 WeakPolarHBondContact O-CB 3.43Å; L498-T501 PolarHBondContact O-N 3.27Å; L498-T501 VanDerWaalsContact O-N 3.14Å; V499-T501 PolarHBondContact O-N 2.89Å; T501-G504 PolarHBondContact O-N 3.22Å; T501-G505 PolarHBondContact O-N 3.34Å; T501-G505 VanDerWaalsContact O-N 3.13Å; T501-W551 WeakPolarHBondContact OG1-CH2 3.34Å
502V88.3Confident80.8Confident4 Ų433.7 Ų33.72%0.02418%0.181CC..Hα-helixtrans-59.9-51.3176.8169.10000109R450 Y453 T456 L460 L498 V499 G504 G505 L522R450-V502 PolarHBondContact NE-O 3.47Å; R450-V502 PolarHBondContact NH2-O 3.03Å; Y453-V502 HydrophobicContact CD2-CG1 4.25Å; Y453-V502 HydrophobicContact CE2-CG1 3.12Å; Y453-V502 VanDerWaalsContact CZ-CG1 3.44Å; Y453-V502 WeakPolarHBondContact OH-CG1 3.34Å; T456-V502 HydrophobicContact CG2-CG2 4.5Å; L460-V502 HydrophobicContact CD1-CG2 3.93Å; L498-V502 WeakPolarHBondContact O-CB 3.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.21Å; L498-V502 PolarHBondContact O-N 3.34Å; V499-V502 PolarHBondContact O-N 2.61Å; V502-G504 PolarHBondContact O-N 3.3Å; V502-G505 PolarHBondContact O-N 3.32Å; V502-L522 HydrophobicContact CG1-CD1 4.3Å
503V86.7Confident80.2Confident0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-62.2-40.4178.31700000112.9R450 V499 G505 D519 F556 T559 Y560R450-V503 PolarHBondContact NH2-O 3Å; R450-V503 VanDerWaalsContact NH2-O 3.13Å; V499-V503 HydrophobicContact CG1-CG2 4.34Å; V499-V503 WeakPolarHBondContact O-CB 3.43Å; V499-V503 WeakPolarHBondContact O-CG2 3.3Å; V499-V503 PolarHBondContact O-N 3.2Å; V503-G505 PolarHBondContact O-N 3.38Å; V503-D519 HydrophobicContact CG2-CB 4.32Å; V503-F556 HydrophobicContact CG1-CD2 4.13Å; V503-T559 WeakPolarHBondContact O-CG2 3.33Å; V503-T559 PolarHBondContact O-OG1 3Å; V503-Y560 HydrophobicContact CG1-CD2 4.18Å; V503-Y560 HydrophobicContact CG1-CE2 3.85Å
504G82.9Confident79.7Confident21 Ų2144.8 Ų44.822%0.21624%0.235CC..Hα-helixtrans-63.1-24.9177.300000114.1G500 T501 V502 R506 T559G500-G504 WeakPolarHBondContact O-CA 3.14Å; G500-G504 PolarHBondContact O-N 2.82Å; T501-G504 PolarHBondContact O-N 3.22Å; V502-G504 PolarHBondContact O-N 3.3Å; G504-R506 PolarHBondContact O-N 3.38Å; G504-T559 WeakPolarHBondContact CA-OG1 3.44Å
505G75.6Confident79.2Confident14 Ų1447 Ų4714%0.14425%0.246CC..THydrogen-bonded Turntrans-75.111.8-176.500000117.4C446 R450 T501 V502 V503 L507C446-G505 WeakPolarHBondContact SG-CA 3.26Å; C446-G505 PolarHBondContact SG-N 2.61Å; C446-G505 VanDerWaalsContact SG-N 3.39Å; R450-G505 WeakPolarHBondContact CD-O 3.42Å; R450-G505 VanDerWaalsContact CZ-O 3.28Å; R450-G505 VanDerWaalsContact NE-CA 3.29Å; R450-G505 PolarHBondContact NE-O 3.49Å; R450-G505 VanDerWaalsContact NE-O 3.13Å; R450-G505 PolarHBondContact NH1-O 3.48Å; T501-G505 PolarHBondContact O-N 3.34Å; T501-G505 VanDerWaalsContact O-N 3.13Å; V502-G505 PolarHBondContact O-N 3.32Å; V503-G505 PolarHBondContact O-N 3.38Å; G505-L507 PolarHBondContact O-N 3.12Å; G505-L507 VanDerWaalsContact O-N 3.13Å
506R75.4Confident78.8Confident39 Ų3947.2 Ų47.215%0.14725%0.247CC..  trans-70.1110.9-173.7-166.4-178.5176.5-131.11.7111R450 G504 T508 S511 D516 T559 Y560R450-R506 VanDerWaalsContact NH2-N 3.15Å; G504-R506 PolarHBondContact O-N 3.38Å; R506-T508 PolarHBondContact O-N 3.06Å; R506-S511 PolarHBondContact NE-OG 3.25Å; R506-D516 IonicContact CZ-OD1 3.13Å; R506-D516 VanDerWaalsContact CZ-OD1 3.24Å; R506-D516 IonicContact CZ-OD2 3.49Å; R506-D516 IonicContact NE-OD1 3.75Å; R506-D516 PolarHBondContact NE-OD1 3.17Å; R506-D516 IonicContact NE-OD2 3.54Å; R506-D516 VanDerWaalsContact NH2-CG 3.35Å; R506-D516 IonicContact NH2-OD1 2.74Å; R506-D516 PolarHBondContact NH2-OD1 3.19Å; R506-D516 VanDerWaalsContact NH2-OD1 3.14Å; R506-D516 IonicContact NH2-OD2 3.7Å; R506-D516 PolarHBondContact NH2-OD2 3.03Å; R506-T559 HydrophobicContact CB-CG2 3.45Å; R506-T559 VanDerWaalsContact CB-CG2 3.45Å; R506-T559 HydrophobicContact CG-CG2 4.06Å; R506-T559 PolarHBondContact NH1-O 2.85Å; R506-Y560 VanDerWaalsContact CZ-CE1 3.45Å; R506-Y560 VanDerWaalsContact NH1-CE1 3.35Å
507L68Low78.4Confident110 Ų11049 Ų4958%0.57626%0.262SS*.  trans-81110.9168.7-66.5172.3000108.8G505 Y509 T510 S511G505-L507 PolarHBondContact O-N 3.12Å; G505-L507 VanDerWaalsContact O-N 3.13Å; L507-Y509 PolarHBondContact O-N 2.59Å; L507-T510 WeakPolarHBondContact CB-OG1 3.46Å; L507-T510 PolarHBondContact O-N 2.71Å; L507-S511 PolarHBondContact O-N 2.77Å
508T59.2Low78.2Confident102 Ų10250.5 Ų50.563%0.62627%0.27SS*.THydrogen-bonded Turntrans-52.3-23.8-174.3-42.70000114.6R506R506-T508 PolarHBondContact O-N 3.06Å
509Y56.7Low78Confident225 Ų22550.4 Ų50.488%0.88227%0.269SS*.THydrogen-bonded Turntrans-100.6-13.4-176.6-61.2-75.6000114.6L507L507-Y509 PolarHBondContact O-N 2.59Å
510T59.5Low77.7Confident84 Ų8450.4 Ų50.452%0.51527%0.269SS..THydrogen-bonded Turntrans-121.4-4.7-173.663.30000114.1L507L507-T510 WeakPolarHBondContact CB-OG1 3.46Å; L507-T510 PolarHBondContact O-N 2.71Å
511S63.8Low77.7Confident26 Ų2652.8 Ų52.818%0.18228%0.28CS..  trans-78.4130.9178.657.30000112.3R506 L507R506-S511 PolarHBondContact NE-OG 3.25Å; L507-S511 PolarHBondContact O-N 2.77Å
512T72.4Confident77.7Confident64 Ų6452.6 Ų52.639%0.39328%0.279SS..  trans-86.2159.6173.261.10000111.3E514 H515 D516T512-E514 PolarHBondContact O-N 3.26Å; T512-H515 WeakPolarHBondContact O-CB 2.98Å; T512-H515 PolarHBondContact O-N 3.33Å; T512-H515 VanDerWaalsContact O-N 3.11Å; T512-H515 PolarHBondContact OG1-CD2 3.33Å; T512-H515 VanDerWaalsContact OG1-CD2 3.26Å; T512-H515 VanDerWaalsContact OG1-CG 3.26Å; T512-H515 PolarHBondContact OG1-N 3.31Å; T512-D516 PolarHBondContact O-N 3.03Å
513D76.3Confident77.8Confident91 Ų9152.4 Ų52.449%0.48728%0.278SS..Hα-helixtrans-58.2-25.8173.2-77.72.9000113.2A517 K570D513-A517 PolarHBondContact O-N 3.03Å; D513-K570 HydrophobicContact CB-CD 3.9Å; D513-K570 HydrophobicContact CB-CG 4.36Å; D513-K570 WeakPolarHBondContact OD2-CE 3.46Å; D513-K570 IonicContact OD2-NZ 2.67Å
514E79.1Confident77.9Confident142 Ų14252.5 Ų52.566%0.66428%0.279SS*.Hα-helixtrans-74.6-38.4176.7-66.6173.7178.300111.6T512 D516 A517 M518T512-E514 PolarHBondContact O-N 3.26Å; E514-D516 VanDerWaalsContact C-N 3.27Å; E514-D516 PolarHBondContact O-N 2.7Å; E514-A517 PolarHBondContact O-N 3.2Å; E514-M518 WeakPolarHBondContact O-CG 3.36Å; E514-M518 PolarHBondContact O-N 3.05Å; E514-M518 VanDerWaalsContact O-N 3.08Å
515H83.1Confident78.3Confident49 Ų4952.8 Ų52.823%0.22727%0.273CS..Hα-helixtrans-61.9-39.1172.6-66.5-177.8000111.2Y453 T512 M518 D519Y453-H515 HydrophobicContact CD1-CB 3.86Å; Y453-H515 AromaticContact CD1-CD2 3.77Å; Y453-H515 AromaticContact CD1-CG 3.67Å; Y453-H515 HydrophobicContact CE1-CB 4.13Å; T512-H515 WeakPolarHBondContact O-CB 2.98Å; T512-H515 PolarHBondContact O-N 3.33Å; T512-H515 VanDerWaalsContact O-N 3.11Å; T512-H515 PolarHBondContact OG1-CD2 3.33Å; T512-H515 VanDerWaalsContact OG1-CD2 3.26Å; T512-H515 VanDerWaalsContact OG1-CG 3.26Å; T512-H515 PolarHBondContact OG1-N 3.31Å; H515-M518 VanDerWaalsContact CD2-CE 3.42Å; H515-M518 WeakPolarHBondContact CD2-CE 3.45Å; H515-M518 PolarHBondContact O-N 3.32Å; H515-D519 PolarHBondContact O-N 3.29Å
516D83.1Confident79Confident4 Ų452.1 Ų52.12%0.02127%0.266CS..Hα-helixtrans-64-38.3174.5-78.6-10.9000112.3R506 T512 E514 D519 G520 Y560 V571R506-D516 IonicContact CZ-OD1 3.13Å; R506-D516 VanDerWaalsContact CZ-OD1 3.24Å; R506-D516 IonicContact CZ-OD2 3.49Å; R506-D516 IonicContact NE-OD1 3.75Å; R506-D516 PolarHBondContact NE-OD1 3.17Å; R506-D516 IonicContact NE-OD2 3.54Å; R506-D516 VanDerWaalsContact NH2-CG 3.35Å; R506-D516 IonicContact NH2-OD1 2.74Å; R506-D516 PolarHBondContact NH2-OD1 3.19Å; R506-D516 VanDerWaalsContact NH2-OD1 3.14Å; R506-D516 IonicContact NH2-OD2 3.7Å; R506-D516 PolarHBondContact NH2-OD2 3.03Å; T512-D516 PolarHBondContact O-N 3.03Å; E514-D516 VanDerWaalsContact C-N 3.27Å; E514-D516 PolarHBondContact O-N 2.7Å; D516-D519 PolarHBondContact O-N 3.39Å; D516-G520 PolarHBondContact O-N 3.43Å; D516-Y560 PolarHBondContact OD1-OH 3.08Å; D516-V571 HydrophobicContact CB-CG2 3.81Å; D516-V571 WeakPolarHBondContact O-CA 3.21Å; D516-V571 WeakPolarHBondContact O-CG2 3.26Å
517A84.6Confident79.6Confident38 Ų3850.7 Ų50.731%0.31426%0.261SS..Hα-helixtrans-64.9-39.7174.800000112.2D513 E514 G520 E521 K570D513-A517 PolarHBondContact O-N 3.03Å; E514-A517 PolarHBondContact O-N 3.2Å; A517-G520 PolarHBondContact O-N 3.41Å; A517-E521 PolarHBondContact O-N 3.4Å; A517-E521 VanDerWaalsContact O-N 3.09Å; A517-K570 HydrophobicContact CB-CB 4.43Å
518M86.6Confident80.5Confident40 Ų4049.6 Ų49.620%0.19725%0.253CS..Hα-helixtrans-66.9-41.4175.7-68.8-171.2-77.600112.6Y453 E454 C457 E514 H515 G520 E521 L522Y453-M518 HydrophobicContact CD1-CE 3.62Å; Y453-M518 HydrophobicContact CE1-CB 4.14Å; Y453-M518 HydrophobicContact CE1-CE 4.18Å; Y453-M518 HydrophobicContact CG-CE 4.3Å; E454-M518 HydrophobicContact CB-SD 4.24Å; E454-M518 HydrophobicContact CG-SD 4.44Å; C457-M518 HydrophobicContact CB-CB 4.41Å; C457-M518 HydrophobicContact CB-SD 3.92Å; E514-M518 WeakPolarHBondContact O-CG 3.36Å; E514-M518 PolarHBondContact O-N 3.05Å; E514-M518 VanDerWaalsContact O-N 3.08Å; H515-M518 VanDerWaalsContact CD2-CE 3.42Å; H515-M518 WeakPolarHBondContact CD2-CE 3.45Å; H515-M518 PolarHBondContact O-N 3.32Å; M518-G520 PolarHBondContact O-N 3.26Å; M518-E521 PolarHBondContact O-N 3.18Å; M518-E521 VanDerWaalsContact O-N 3.16Å; M518-L522 PolarHBondContact O-N 2.95Å
519D87.3Confident81.8Confident0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-58.6-37.4173.1-78.3-25.9000110.9R450 Y453 V503 H515 D516 S523 Y560R450-D519 IonicContact NH2-OD2 3.57Å; R450-D519 PolarHBondContact NH2-OD2 2.76Å; Y453-D519 PolarHBondContact OH-OD1 2.75Å; V503-D519 HydrophobicContact CG2-CB 4.32Å; H515-D519 PolarHBondContact O-N 3.29Å; D516-D519 PolarHBondContact O-N 3.39Å; D519-S523 VanDerWaalsContact O-CB 3.24Å; D519-S523 WeakPolarHBondContact O-CB 3.44Å; D519-S523 PolarHBondContact O-N 3.48Å; D519-S523 PolarHBondContact O-OG 2.88Å; D519-Y560 HydrophobicContact CB-CE2 4.05Å; D519-Y560 VanDerWaalsContact CB-OH 3.24Å; D519-Y560 WeakPolarHBondContact CB-OH 3.44Å; D519-Y560 PolarHBondContact OD2-OH 3.05Å
520G85.7Confident83.2Confident0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-63.2-45.5172.500000113.8D516 A517 M518 S523 C524D516-G520 PolarHBondContact O-N 3.43Å; A517-G520 PolarHBondContact O-N 3.41Å; M518-G520 PolarHBondContact O-N 3.26Å; G520-S523 PolarHBondContact O-N 3.45Å; G520-C524 PolarHBondContact O-N 3.48Å; G520-C524 PolarHBondContact O-SG 3.16Å
521E88Confident84.4Confident50 Ų5034.1 Ų34.123%0.23418%0.184CC..Hα-helixtrans-64.4-39.3179.5-175.363-16000112.4V461 A517 M518 R525 R574V461-E521 HydrophobicContact CG2-CG 4.44Å; A517-E521 PolarHBondContact O-N 3.4Å; A517-E521 VanDerWaalsContact O-N 3.09Å; M518-E521 PolarHBondContact O-N 3.18Å; M518-E521 VanDerWaalsContact O-N 3.16Å; E521-R525 VanDerWaalsContact CG-NH1 3.3Å; E521-R525 PolarHBondContact O-NH1 3.48Å; E521-R525 IonicContact OE1-CZ 2.78Å; E521-R525 IonicContact OE1-NH1 2.63Å; E521-R525 PolarHBondContact OE1-NH1 2.93Å; E521-R525 IonicContact OE1-NH2 3.48Å; E521-R525 PolarHBondContact OE1-NH2 3.08Å; E521-R574 IonicContact OE1-NH2 3.65Å; E521-R574 IonicContact OE2-CZ 3.24Å; E521-R574 IonicContact OE2-NE 2.69Å; E521-R574 PolarHBondContact OE2-NE 2.87Å; E521-R574 IonicContact OE2-NH2 2.78Å; E521-R574 PolarHBondContact OE2-NH2 3.26Å; E521-R574 VanDerWaalsContact OE2-NH2 3.08Å
522L89.7Confident85.3Confident2 Ų235.5 Ų35.51%0.0119%0.19CC..Hα-helixtrans-68.4-44.6173.3-69.4175.6000111.8L460 V461 V499 V502 M518 C524 R525L460-L522 HydrophobicContact CB-CD2 3.81Å; L460-L522 HydrophobicContact CD1-CD1 4.32Å; V461-L522 HydrophobicContact CG2-CD2 3.71Å; V499-L522 HydrophobicContact CG1-CB 3.91Å; V499-L522 HydrophobicContact CG2-CD2 4.4Å; V502-L522 HydrophobicContact CG1-CD1 4.3Å; M518-L522 PolarHBondContact O-N 2.95Å; L522-C524 VanDerWaalsContact C-N 3.28Å; L522-C524 PolarHBondContact O-N 3.37Å; L522-R525 PolarHBondContact O-N 3.14Å
523S89.5Confident85.6Confident0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-60.8-38.5179.3-620000111.7D519 G520 R525 V526 F527 F556D519-S523 VanDerWaalsContact O-CB 3.24Å; D519-S523 WeakPolarHBondContact O-CB 3.44Å; D519-S523 PolarHBondContact O-N 3.48Å; D519-S523 PolarHBondContact O-OG 2.88Å; G520-S523 PolarHBondContact O-N 3.45Å; S523-R525 VanDerWaalsContact C-N 3.28Å; S523-R525 PolarHBondContact O-N 2.76Å; S523-V526 PolarHBondContact O-N 2.94Å; S523-V526 VanDerWaalsContact O-N 3.15Å; S523-F527 WeakPolarHBondContact O-CD2 3.21Å; S523-F527 PolarHBondContact O-N 3.47Å; S523-F556 WeakPolarHBondContact OG-CE2 3.33Å
524C89.1Confident85.8Confident2 Ų230.5 Ų30.51%0.01416%0.16CC..Hα-helixtrans-54.2-43.4178-73.20000112.6G520 L522 V526 F527 Q528 V578 L579G520-C524 PolarHBondContact O-N 3.48Å; G520-C524 PolarHBondContact O-SG 3.16Å; L522-C524 VanDerWaalsContact C-N 3.28Å; L522-C524 PolarHBondContact O-N 3.37Å; C524-V526 PolarHBondContact O-N 3.28Å; C524-F527 PolarHBondContact O-N 3Å; C524-Q528 VanDerWaalsContact O-CG 3.3Å; C524-Q528 WeakPolarHBondContact O-CG 3.35Å; C524-Q528 PolarHBondContact O-N 3.4Å; C524-V578 HydrophobicContact CB-CB 4.48Å; C524-V578 HydrophobicContact CB-CG1 4.2Å; C524-L579 HydrophobicContact CB-CD1 4.24Å
525R91Very high85.5Confident26 Ų2629 Ų2910%0.09816%0.161CC..Hα-helixtrans-65.3-39.2-179.9-71.7168171.868.17.2112.5V461 F464 D465 E521 L522 S523 Q528 L529V461-R525 VanDerWaalsContact CG1-NH2 3.27Å; F464-R525 HydrophobicContact CD1-CB 3.71Å; F464-R525 HydrophobicContact CD1-CG 4.28Å; F464-R525 HydrophobicContact CE1-CB 3.7Å; F464-R525 HydrophobicContact CG-CB 4.22Å; F464-R525 HydrophobicContact CZ-CB 4.2Å; D465-R525 WeakPolarHBondContact OD1-CD 3.26Å; D465-R525 IonicContact OD1-CZ 2.71Å; D465-R525 IonicContact OD1-NE 2.93Å; D465-R525 PolarHBondContact OD1-NE 3.42Å; D465-R525 IonicContact OD1-NH2 3.36Å; D465-R525 IonicContact OD2-CZ 3.54Å; D465-R525 IonicContact OD2-NE 3.73Å; D465-R525 PolarHBondContact OD2-NE 3.15Å; D465-R525 IonicContact OD2-NH2 2.65Å; D465-R525 PolarHBondContact OD2-NH2 3.01Å; E521-R525 VanDerWaalsContact CG-NH1 3.3Å; E521-R525 PolarHBondContact O-NH1 3.48Å; E521-R525 IonicContact OE1-CZ 2.78Å; E521-R525 IonicContact OE1-NH1 2.63Å; E521-R525 PolarHBondContact OE1-NH1 2.93Å; E521-R525 IonicContact OE1-NH2 3.48Å; E521-R525 PolarHBondContact OE1-NH2 3.08Å; L522-R525 PolarHBondContact O-N 3.14Å; S523-R525 VanDerWaalsContact C-N 3.28Å; S523-R525 PolarHBondContact O-N 2.76Å; R525-Q528 PolarHBondContact O-N 2.88Å; R525-L529 WeakPolarHBondContact O-CB 3.29Å; R525-L529 PolarHBondContact O-N 2.73Å
526V90Very high84.6Confident0 Ų027.8 Ų27.80%016%0.162CC..Hα-helixtrans-66-44.1176.2-1770000110.5F464 V496 V499 S523 C524 Q528 L529 I530 F552F464-V526 HydrophobicContact CE2-CG2 4.13Å; F464-V526 HydrophobicContact CZ-CG2 4.33Å; V496-V526 HydrophobicContact CG1-CG1 4.03Å; V496-V526 HydrophobicContact CG2-CG1 4.34Å; V499-V526 HydrophobicContact CB-CG2 4.15Å; V499-V526 HydrophobicContact CG1-CG2 3.72Å; S523-V526 PolarHBondContact O-N 2.94Å; S523-V526 VanDerWaalsContact O-N 3.15Å; C524-V526 PolarHBondContact O-N 3.28Å; V526-Q528 PolarHBondContact O-N 3.39Å; V526-L529 WeakPolarHBondContact O-CB 3.42Å; V526-L529 PolarHBondContact O-N 3.33Å; V526-I530 WeakPolarHBondContact O-CG1 3.39Å; V526-I530 PolarHBondContact O-N 3.45Å; V526-F552 HydrophobicContact CB-CD1 4.19Å; V526-F552 HydrophobicContact CB-CE1 3.96Å; V526-F552 HydrophobicContact CB-CE2 4.35Å; V526-F552 HydrophobicContact CB-CG 4.48Å; V526-F552 HydrophobicContact CB-CZ 4.06Å; V526-F552 HydrophobicContact CG1-CB 4.46Å; V526-F552 HydrophobicContact CG1-CD1 3.48Å; V526-F552 VanDerWaalsContact CG1-CD1 3.48Å; V526-F552 HydrophobicContact CG1-CD2 4.34Å; V526-F552 HydrophobicContact CG1-CE1 3.71Å; V526-F552 HydrophobicContact CG1-CG 3.83Å; V526-F552 HydrophobicContact CG1-CZ 4.26Å; V526-F552 HydrophobicContact CG2-CD2 4.26Å; V526-F552 HydrophobicContact CG2-CE2 4.19Å; V526-F552 HydrophobicContact CG2-CZ 4.38Å
527F88.9Confident84Confident10 Ų1028.9 Ų28.94%0.04417%0.167CC..Hα-helixtrans-64.8-36.5175.9-76-68.7000113.2S523 C524 L529 I530 S531 F552 L553 M575 L579 T590 F591S523-F527 WeakPolarHBondContact O-CD2 3.21Å; S523-F527 PolarHBondContact O-N 3.47Å; C524-F527 PolarHBondContact O-N 3Å; F527-L529 VanDerWaalsContact C-N 3.34Å; F527-I530 HydrophobicContact CD1-CD1 4.03Å; F527-I530 HydrophobicContact CE1-CD1 4.48Å; F527-I530 PolarHBondContact O-N 2.81Å; F527-S531 PolarHBondContact O-N 3.06Å; F527-S531 VanDerWaalsContact O-N 3.15Å; F527-F552 HydrophobicContact CE2-CE1 4.04Å; F527-F552 HydrophobicContact CE2-CZ 4.22Å; F527-F552 HydrophobicContact CZ-CE1 4.16Å; F527-L553 HydrophobicContact CE1-CD2 4.06Å; F527-L553 HydrophobicContact CZ-CD2 4.38Å; F527-M575 HydrophobicContact CD2-CE 3.65Å; F527-M575 HydrophobicContact CE2-CE 3.35Å; F527-M575 HydrophobicContact CZ-CE 4.16Å; F527-L579 HydrophobicContact CB-CD1 3.47Å; F527-L579 VanDerWaalsContact CB-CD1 3.47Å; F527-L579 HydrophobicContact CD2-CD1 4.21Å; F527-L579 HydrophobicContact CG-CD1 4.13Å; F527-T590 HydrophobicContact CD1-CG2 3.81Å; F527-T590 HydrophobicContact CE1-CG2 3.8Å; F527-F591 HydrophobicContact CE1-CE1 4.37Å; F527-F591 HydrophobicContact CZ-CE1 4.21Å
528Q87.9Confident82.7Confident86 Ų8631.8 Ų31.840%0.40218%0.183SC..Hα-helixtrans-63.2-40.6171.5-72173.7-18.100111.8C524 R525 V526 S531 L532 L579C524-Q528 VanDerWaalsContact O-CG 3.3Å; C524-Q528 WeakPolarHBondContact O-CG 3.35Å; C524-Q528 PolarHBondContact O-N 3.4Å; R525-Q528 PolarHBondContact O-N 2.88Å; V526-Q528 PolarHBondContact O-N 3.39Å; Q528-S531 PolarHBondContact O-N 3.27Å; Q528-L532 PolarHBondContact O-N 2.85Å; Q528-L579 HydrophobicContact CG-CD2 3.8Å
529L86.5Confident81.2Confident4 Ų441 Ų412%0.02122%0.215CC..Hα-helixtrans-63.1-41.1175.3-179.264.3000111.7F464 L492 V496 R525 V526 F527 S531 L532 M533 I545F464-L529 HydrophobicContact CE1-CB 4.43Å; F464-L529 HydrophobicContact CZ-CB 4.21Å; F464-L529 HydrophobicContact CZ-CD2 3.85Å; L492-L529 HydrophobicContact CB-CD2 4.34Å; L492-L529 HydrophobicContact CD1-CD1 4.11Å; L492-L529 HydrophobicContact CD2-CD2 4.45Å; V496-L529 HydrophobicContact CG2-CD2 3.77Å; R525-L529 WeakPolarHBondContact O-CB 3.29Å; R525-L529 PolarHBondContact O-N 2.73Å; V526-L529 WeakPolarHBondContact O-CB 3.42Å; V526-L529 PolarHBondContact O-N 3.33Å; F527-L529 VanDerWaalsContact C-N 3.34Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.88Å; L529-L532 WeakPolarHBondContact O-CB 3.37Å; L529-L532 PolarHBondContact O-N 2.85Å; L529-M533 HydrophobicContact CD1-CG 4.26Å; L529-M533 HydrophobicContact CD1-SD 4.38Å; L529-M533 HydrophobicContact CG-CG 4.45Å; L529-M533 HydrophobicContact CG-SD 4.15Å; L529-M533 WeakPolarHBondContact O-CG 3.45Å; L529-M533 PolarHBondContact O-N 3.41Å; L529-I545 HydrophobicContact CD2-CG2 4.49Å
530I86.1Confident79.6Confident7 Ų742.8 Ų42.84%0.03623%0.227CC..Hα-helixtrans-56.5-49.2174.6-67.1168.9000110.3V526 F527 L532 M533 D534 I549 L553 K594V526-I530 WeakPolarHBondContact O-CG1 3.39Å; V526-I530 PolarHBondContact O-N 3.45Å; F527-I530 HydrophobicContact CD1-CD1 4.03Å; F527-I530 HydrophobicContact CE1-CD1 4.48Å; F527-I530 PolarHBondContact O-N 2.81Å; I530-L532 PolarHBondContact O-N 3.12Å; I530-M533 PolarHBondContact O-N 3.09Å; I530-D534 WeakPolarHBondContact O-CB 3.49Å; I530-D534 PolarHBondContact O-N 3.47Å; I530-I549 HydrophobicContact CD1-CG2 3.7Å; I530-I549 HydrophobicContact CG1-CD1 3.99Å; I530-I549 HydrophobicContact CG1-CG1 4.16Å; I530-I549 HydrophobicContact CG1-CG2 3.78Å; I530-L553 HydrophobicContact CD1-CD2 4.16Å; I530-K594 HydrophobicContact CG2-CD 3.98Å
531S84.6Confident78.4Confident76 Ų7645.9 Ų45.953%0.53125%0.249SC..Hα-helixtrans-60-44.7178.2-176.90000112.2F527 Q528 L529 M533 D534 T535F527-S531 PolarHBondContact O-N 3.06Å; F527-S531 VanDerWaalsContact O-N 3.15Å; Q528-S531 PolarHBondContact O-N 3.27Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.88Å; S531-M533 PolarHBondContact O-N 3.47Å; S531-D534 PolarHBondContact O-N 2.96Å; S531-T535 WeakPolarHBondContact O-CG2 3.33Å; S531-T535 PolarHBondContact O-N 3.12Å; S531-T535 VanDerWaalsContact O-N 3.13Å; S531-T535 PolarHBondContact O-OG1 3.17Å
532L82.3Confident77.8Confident55 Ų5544.7 Ų44.729%0.28825%0.245SC..Hα-helixtrans-58.9-45.7175.2-89.3151.8000112.6Q472 Q528 L529 I530 T535Q472-L532 HydrophobicContact CG-CD1 4.4Å; Q472-L532 HydrophobicContact CG-CD2 4.12Å; Q528-L532 PolarHBondContact O-N 2.85Å; L529-L532 WeakPolarHBondContact O-CB 3.37Å; L529-L532 PolarHBondContact O-N 2.85Å; I530-L532 PolarHBondContact O-N 3.12Å; L532-T535 PolarHBondContact O-OG1 2.91Å
533M79.3Confident77.5Confident7 Ų749.3 Ų49.33%0.03427%0.266CS..Hα-helixtrans-68.5-43.4-179.8-72.6-178.772.300112.3L529 I530 S531 T535 G536 L537 I545 I549L529-M533 HydrophobicContact CD1-CG 4.26Å; L529-M533 HydrophobicContact CD1-SD 4.38Å; L529-M533 HydrophobicContact CG-CG 4.45Å; L529-M533 HydrophobicContact CG-SD 4.15Å; L529-M533 WeakPolarHBondContact O-CG 3.45Å; L529-M533 PolarHBondContact O-N 3.41Å; I530-M533 PolarHBondContact O-N 3.09Å; S531-M533 PolarHBondContact O-N 3.47Å; M533-T535 PolarHBondContact O-N 3.18Å; M533-G536 WeakPolarHBondContact O-CA 3.31Å; M533-G536 PolarHBondContact O-N 3.31Å; M533-L537 PolarHBondContact O-N 3.25Å; M533-I545 HydrophobicContact CE-CB 3.66Å; M533-I545 HydrophobicContact CE-CD1 3.91Å; M533-I545 HydrophobicContact CE-CG1 4.44Å; M533-I545 HydrophobicContact CE-CG2 3.59Å; M533-I545 HydrophobicContact SD-CB 4.12Å; M533-I545 HydrophobicContact SD-CD1 4.26Å; M533-I545 HydrophobicContact SD-CG2 3.35Å; M533-I545 WeakPolarHBondContact SD-CG2 3.43Å; M533-I549 HydrophobicContact CE-CD1 4.42Å; M533-I549 HydrophobicContact SD-CD1 3.73Å
534D78.6Confident77.1Confident43 Ų4351.8 Ų51.823%0.2328%0.277CS..Hα-helixtrans-63.8-31.7-179.2-73.4-12000111.5I530 S531 G536 K594I530-D534 WeakPolarHBondContact O-CB 3.49Å; I530-D534 PolarHBondContact O-N 3.47Å; S531-D534 PolarHBondContact O-N 2.96Å; D534-G536 VanDerWaalsContact C-N 3.27Å; D534-G536 PolarHBondContact O-N 3.43Å; D534-K594 IonicContact OD1-NZ 3.23Å; D534-K594 PolarHBondContact OD1-NZ 2.94Å; D534-K594 IonicContact OD2-NZ 3.53Å
535T74.5Confident77Confident111 Ų11151.7 Ų51.768%0.68128%0.276SS*.Hα-helixtrans-69.2-21.6173.164.20000113.9S531 L532 M533S531-T535 WeakPolarHBondContact O-CG2 3.33Å; S531-T535 PolarHBondContact O-N 3.12Å; S531-T535 VanDerWaalsContact O-N 3.13Å; S531-T535 PolarHBondContact O-OG1 3.17Å; L532-T535 PolarHBondContact O-OG1 2.91Å; M533-T535 PolarHBondContact O-N 3.18Å
536G63.3Low76.8Confident23 Ų2350.6 Ų50.624%0.23727%0.272CS..THydrogen-bonded Turntrans-90.7-6.3-179.300000115M533 D534 R539 C540M533-G536 WeakPolarHBondContact O-CA 3.31Å; M533-G536 PolarHBondContact O-N 3.31Å; D534-G536 VanDerWaalsContact C-N 3.27Å; D534-G536 PolarHBondContact O-N 3.43Å; G536-R539 PolarHBondContact O-N 3.38Å; G536-C540 PolarHBondContact O-N 3.42Å
537L70.9Confident76.7Confident27 Ų2752.3 Ų52.314%0.14128%0.281CS..THydrogen-bonded Turntrans-70.8137.4178.7-72169.3000111.2M533 T597 Y601M533-L537 PolarHBondContact O-N 3.25Å; L537-T597 HydrophobicContact CD1-CG2 3.49Å; L537-T597 VanDerWaalsContact CD1-CG2 3.49Å; L537-Y601 HydrophobicContact CD1-CD2 4.03Å; L537-Y601 HydrophobicContact CD1-CG 4.42Å
538P56.6Low76.7Confident99 Ų9951.8 Ų51.864%0.64328%0.279SS*.THydrogen-bonded Turncis-97.314.47.937.4-34.5000114.7
539R55.9Low76.9Confident232 Ų23247.7 Ų47.788%0.87526%0.26SS*.THydrogen-bonded Turntrans-86.9-29.8-169.3-69.3-179178.5175.80.1114.6G536G536-R539 PolarHBondContact O-N 3.38Å
540C53.7Low77.1Confident38 Ų3848 Ų4826%0.25726%0.261SS..SBendtrans-117.7102.8177.9-58.10000108.3L475 G536L475-C540 HydrophobicContact CD2-CB 4.48Å; L475-C540 VanDerWaalsContact CD2-SG 3.58Å; G536-C540 PolarHBondContact O-N 3.42Å
541S61Low77.2Confident65 Ų6549.3 Ų49.346%0.45527%0.266SS..  trans-141.3104-175.2660000110W602S541-W602 VanDerWaalsContact CB-CH2 3.47Å
542N75.6Confident77.6Confident26 Ų2645.7 Ų45.714%0.13924%0.24CC..  trans-110.1120.3171.3-168.1-33.2000110.1E489 K544 I545 E546E489-N542 HydrophobicContact CB-CB 4.32Å; E489-N542 WeakPolarHBondContact CB-ND2 3.42Å; E489-N542 HydrophobicContact CG-CB 4.38Å; E489-N542 WeakPolarHBondContact OE2-CB 3.35Å; E489-N542 PolarHBondContact OE2-ND2 3.44Å; N542-K544 PolarHBondContact O-N 2.96Å; N542-K544 WeakPolarHBondContact OD1-CB 3.38Å; N542-K544 PolarHBondContact OD1-N 3.37Å; N542-I545 HydrophobicContact CB-CD1 4.28Å; N542-I545 PolarHBondContact O-N 3.31Å; N542-E546 PolarHBondContact O-N 3.15Å
543E81.6Confident78.1Confident98 Ų9843.1 Ų43.146%0.45823%0.227SC..Hα-helixtrans-55.4-35.8179.8-65.2179.717200111.9E546 L547 W602 C605E543-E546 PolarHBondContact O-N 2.93Å; E543-L547 WeakPolarHBondContact O-CG 3.46Å; E543-L547 PolarHBondContact O-N 2.84Å; E543-W602 HydrophobicContact CB-CZ3 4.35Å; E543-W602 HydrophobicContact CG-CE3 4.32Å; E543-W602 HydrophobicContact CG-CH2 4.05Å; E543-W602 HydrophobicContact CG-CZ3 3.44Å; E543-W602 VanDerWaalsContact CG-CZ3 3.44Å; E543-C605 PolarHBondContact OE1-SG 2.93Å
544K82.4Confident78.5Confident53 Ų5344 Ų4423%0.2323%0.232CC..Hα-helixtrans-68.5-41.3-173.7-62.5-175.6173.9-170.20112.4D430 L432 D433 A493 N542 A548D430-K544 VanDerWaalsContact CG-NZ 3.33Å; D430-K544 IonicContact OD2-NZ 3.26Å; D430-K544 PolarHBondContact OD2-NZ 3.11Å; L432-K544 HydrophobicContact CD1-CD 4.35Å; D433-K544 WeakPolarHBondContact OD1-CE 3.27Å; D433-K544 IonicContact OD1-NZ 3.48Å; D433-K544 PolarHBondContact OD1-NZ 3.41Å; D433-K544 IonicContact OD2-NZ 2.94Å; A493-K544 HydrophobicContact CB-CB 4.35Å; N542-K544 PolarHBondContact O-N 2.96Å; N542-K544 WeakPolarHBondContact OD1-CB 3.38Å; N542-K544 PolarHBondContact OD1-N 3.37Å; K544-A548 WeakPolarHBondContact O-CB 3.32Å; K544-A548 PolarHBondContact O-N 2.95Å
545I86.4Confident78.9Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-69.7-38.7177.4-57.3165.3000110.4E489 A493 L529 M533 N542 L547 A548 I549E489-I545 HydrophobicContact CB-CD1 3.52Å; E489-I545 HydrophobicContact CB-CG1 4.24Å; E489-I545 HydrophobicContact CG-CD1 3.68Å; E489-I545 VanDerWaalsContact O-CG1 3.26Å; E489-I545 WeakPolarHBondContact O-CG1 3.38Å; A493-I545 HydrophobicContact CB-CG1 3.96Å; L529-I545 HydrophobicContact CD2-CG2 4.49Å; M533-I545 HydrophobicContact CE-CB 3.66Å; M533-I545 HydrophobicContact CE-CD1 3.91Å; M533-I545 HydrophobicContact CE-CG1 4.44Å; M533-I545 HydrophobicContact CE-CG2 3.59Å; M533-I545 HydrophobicContact SD-CB 4.12Å; M533-I545 HydrophobicContact SD-CD1 4.26Å; M533-I545 HydrophobicContact SD-CG2 3.35Å; M533-I545 WeakPolarHBondContact SD-CG2 3.43Å; N542-I545 HydrophobicContact CB-CD1 4.28Å; N542-I545 PolarHBondContact O-N 3.31Å; I545-L547 PolarHBondContact O-N 3.25Å; I545-A548 CarbonylContact O-C 3.59Å; I545-A548 WeakPolarHBondContact O-CB 3.23Å; I545-A548 PolarHBondContact O-N 3.42Å; I545-A548 VanDerWaalsContact O-N 3.13Å; I545-I549 HydrophobicContact CG2-CD1 3.82Å; I545-I549 HydrophobicContact CG2-CG1 4.16Å; I545-I549 WeakPolarHBondContact O-CG1 3.49Å; I545-I549 PolarHBondContact O-N 3.19Å
546E87.8Confident79.6Confident2 Ų238.4 Ų38.41%0.00920%0.196CC..Hα-helixtrans-62.9-41.9178-72.9-60.6156.300112.4N542 E543 A548 I549 L550 K594 N598 W602 V608N542-E546 PolarHBondContact O-N 3.15Å; E543-E546 PolarHBondContact O-N 2.93Å; E546-A548 VanDerWaalsContact C-N 3.3Å; E546-A548 PolarHBondContact O-N 3.04Å; E546-I549 PolarHBondContact O-N 2.99Å; E546-L550 WeakPolarHBondContact O-CG 3.43Å; E546-L550 PolarHBondContact O-N 2.69Å; E546-K594 VanDerWaalsContact CD-NZ 3.25Å; E546-K594 IonicContact OE1-NZ 3.44Å; E546-K594 PolarHBondContact OE1-NZ 3.1Å; E546-K594 WeakPolarHBondContact OE2-CE 3.43Å; E546-K594 IonicContact OE2-NZ 2.91Å; E546-K594 PolarHBondContact OE2-NZ 3.07Å; E546-N598 PolarHBondContact OE2-ND2 2.99Å; E546-N598 PolarHBondContact OE2-OD1 3.06Å; E546-W602 HydrophobicContact CB-CZ2 4.46Å; E546-W602 HydrophobicContact CG-CH2 4.31Å; E546-W602 HydrophobicContact CG-CZ2 3.46Å; E546-W602 VanDerWaalsContact CG-CZ2 3.46Å; E546-V608 HydrophobicContact CB-CG1 4.44Å; E546-V608 HydrophobicContact CB-CG2 4.46Å
547L87.3Confident80.7Confident36 Ų3639 Ų3919%0.18819%0.191CC..Hα-helixtrans-63.4-36.9172.9-68.3173.8000112E543 I545 W551 V608 R611E543-L547 WeakPolarHBondContact O-CG 3.46Å; E543-L547 PolarHBondContact O-N 2.84Å; I545-L547 PolarHBondContact O-N 3.25Å; L547-W551 WeakPolarHBondContact O-CB 3.29Å; L547-W551 PolarHBondContact O-N 3.19Å; L547-W551 VanDerWaalsContact O-N 3.11Å; L547-V608 HydrophobicContact CD2-CG2 4.14Å; L547-V608 HydrophobicContact CG-CG2 4.2Å; L547-R611 HydrophobicContact CD2-CB 4.2Å; L547-R611 HydrophobicContact CD2-CG 4.02Å
548A89Confident81.4Confident0 Ų043.5 Ų43.50%021%0.21CC..Hα-helixtrans-65.8-44.1174.700000112.2A493 V496 Y497 K544 I545 E546 W551 F552A493-A548 HydrophobicContact CB-CB 4.29Å; A493-A548 WeakPolarHBondContact O-CB 3.44Å; V496-A548 HydrophobicContact CB-CB 3.93Å; V496-A548 VanDerWaalsContact CG1-C 3.48Å; V496-A548 HydrophobicContact CG1-CB 3.88Å; V496-A548 WeakPolarHBondContact CG1-O 3.14Å; Y497-A548 HydrophobicContact CD1-CB 4.24Å; Y497-A548 HydrophobicContact CD2-CB 3.62Å; Y497-A548 HydrophobicContact CE1-CB 4.11Å; Y497-A548 HydrophobicContact CE2-CB 3.49Å; Y497-A548 VanDerWaalsContact CE2-CB 3.49Å; Y497-A548 HydrophobicContact CG-CB 3.99Å; Y497-A548 VanDerWaalsContact CZ-CA 3.44Å; Y497-A548 PolarHBondContact OH-N 2.98Å; K544-A548 WeakPolarHBondContact O-CB 3.32Å; K544-A548 PolarHBondContact O-N 2.95Å; I545-A548 CarbonylContact O-C 3.59Å; I545-A548 WeakPolarHBondContact O-CB 3.23Å; I545-A548 PolarHBondContact O-N 3.42Å; I545-A548 VanDerWaalsContact O-N 3.13Å; E546-A548 VanDerWaalsContact C-N 3.3Å; E546-A548 PolarHBondContact O-N 3.04Å; A548-W551 PolarHBondContact O-N 3.27Å; A548-F552 PolarHBondContact O-N 3.03Å
549I91.2Very high82.6Confident0 Ų039.4 Ų39.40%018%0.183CC..Hα-helixtrans-59.4-51.3175.7-71.7164.4000109.9V496 I530 M533 I545 E546 W551 F552 L553V496-I549 HydrophobicContact CG1-CG1 4.33Å; I530-I549 HydrophobicContact CD1-CG2 3.7Å; I530-I549 HydrophobicContact CG1-CD1 3.99Å; I530-I549 HydrophobicContact CG1-CG1 4.16Å; I530-I549 HydrophobicContact CG1-CG2 3.78Å; M533-I549 HydrophobicContact CE-CD1 4.42Å; M533-I549 HydrophobicContact SD-CD1 3.73Å; I545-I549 HydrophobicContact CG2-CD1 3.82Å; I545-I549 HydrophobicContact CG2-CG1 4.16Å; I545-I549 WeakPolarHBondContact O-CG1 3.49Å; I545-I549 PolarHBondContact O-N 3.19Å; E546-I549 PolarHBondContact O-N 2.99Å; I549-W551 PolarHBondContact O-N 3.46Å; I549-F552 WeakPolarHBondContact O-CB 3.31Å; I549-F552 PolarHBondContact O-N 3.3Å; I549-F552 VanDerWaalsContact O-N 3.08Å; I549-L553 HydrophobicContact CG2-CD1 3.96Å; I549-L553 HydrophobicContact CG2-CG 4.18Å; I549-L553 VanDerWaalsContact O-CG 3.3Å; I549-L553 WeakPolarHBondContact O-CG 3.48Å; I549-L553 PolarHBondContact O-N 3.36Å
550L90.5Very high83.7Confident9 Ų928.7 Ų28.75%0.04714%0.143CC..Hα-helixtrans-56.9-38.5179.2-73.5170.4000112E546 L553 D554 V608 R611 T612E546-L550 WeakPolarHBondContact O-CG 3.43Å; E546-L550 PolarHBondContact O-N 2.69Å; L550-L553 PolarHBondContact O-N 2.89Å; L550-D554 PolarHBondContact O-N 2.93Å; L550-D554 VanDerWaalsContact O-N 3.08Å; L550-V608 HydrophobicContact CD1-CG1 4.46Å; L550-R611 HydrophobicContact CD1-CB 3.96Å; L550-T612 WeakPolarHBondContact CD1-OG1 3.3Å
551W89.7Confident84.8Confident35 Ų3527.2 Ų27.213%0.13313%0.132CC..Hα-helixtrans-68.2-43.3176.6-17695.8000112.1F439 L442 Y497 T501 L547 A548 I549 L553 D554 Q555F439-W551 AromaticContact CD1-CD1 3.96Å; F439-W551 AromaticContact CD1-NE1 3.7Å; F439-W551 AromaticContact CE1-CD1 3.45Å; F439-W551 VanDerWaalsContact CE1-CD1 3.45Å; F439-W551 HydrophobicContact CE1-CG 4.14Å; F439-W551 AromaticContact CE1-NE1 3.69Å; F439-W551 AromaticContact CZ-CD1 3.61Å; F439-W551 HydrophobicContact CZ-CG 4.44Å; L442-W551 HydrophobicContact CD1-CH2 4.45Å; L442-W551 HydrophobicContact CD1-CZ2 4.4Å; Y497-W551 HydrophobicContact CD1-CB 4.08Å; Y497-W551 AromaticContact CD1-CD2 3.75Å; Y497-W551 HydrophobicContact CD1-CD2 3.75Å; Y497-W551 AromaticContact CD1-CE3 3.7Å; Y497-W551 HydrophobicContact CD1-CE3 3.7Å; Y497-W551 AromaticContact CD1-CG 3.91Å; Y497-W551 HydrophobicContact CD1-CG 3.91Å; Y497-W551 HydrophobicContact CD1-CZ3 4.34Å; Y497-W551 HydrophobicContact CE1-CB 3.61Å; Y497-W551 HydrophobicContact CE1-CD2 4.08Å; Y497-W551 HydrophobicContact CE1-CE3 4.38Å; Y497-W551 AromaticContact CE1-CG 3.72Å; Y497-W551 HydrophobicContact CE1-CG 3.72Å; Y497-W551 WeakPolarHBondContact O-CH2 3.46Å; Y497-W551 WeakPolarHBondContact O-CZ3 3.39Å; T501-W551 WeakPolarHBondContact OG1-CH2 3.34Å; L547-W551 WeakPolarHBondContact O-CB 3.29Å; L547-W551 PolarHBondContact O-N 3.19Å; L547-W551 VanDerWaalsContact O-N 3.11Å; A548-W551 PolarHBondContact O-N 3.27Å; I549-W551 PolarHBondContact O-N 3.46Å; W551-L553 PolarHBondContact O-N 3.48Å; W551-D554 PolarHBondContact O-N 3.41Å; W551-Q555 HydrophobicContact CD2-CG 4.04Å; W551-Q555 HydrophobicContact CE3-CG 4.07Å; W551-Q555 HydrophobicContact CH2-CG 3.7Å; W551-Q555 HydrophobicContact CZ2-CG 3.68Å; W551-Q555 HydrophobicContact CZ3-CG 3.92Å; W551-Q555 WeakPolarHBondContact O-CG 3.18Å; W551-Q555 PolarHBondContact O-N 2.93Å
552F92.9Very high85.1Confident0 Ų025.6 Ų25.60%013%0.126CC..Hα-helixtrans-58.3-45.5172.5164.7-94.9000111.7V496 V499 V526 F527 A548 I549 D554 Q555 F556V496-F552 HydrophobicContact CG1-CB 3.86Å; V499-F552 HydrophobicContact CG1-CD2 4.05Å; V499-F552 HydrophobicContact CG1-CE2 3.86Å; V526-F552 HydrophobicContact CB-CD1 4.19Å; V526-F552 HydrophobicContact CB-CE1 3.96Å; V526-F552 HydrophobicContact CB-CE2 4.35Å; V526-F552 HydrophobicContact CB-CG 4.48Å; V526-F552 HydrophobicContact CB-CZ 4.06Å; V526-F552 HydrophobicContact CG1-CB 4.46Å; V526-F552 HydrophobicContact CG1-CD1 3.48Å; V526-F552 VanDerWaalsContact CG1-CD1 3.48Å; V526-F552 HydrophobicContact CG1-CD2 4.34Å; V526-F552 HydrophobicContact CG1-CE1 3.71Å; V526-F552 HydrophobicContact CG1-CG 3.83Å; V526-F552 HydrophobicContact CG1-CZ 4.26Å; V526-F552 HydrophobicContact CG2-CD2 4.26Å; V526-F552 HydrophobicContact CG2-CE2 4.19Å; V526-F552 HydrophobicContact CG2-CZ 4.38Å; F527-F552 HydrophobicContact CE2-CE1 4.04Å; F527-F552 HydrophobicContact CE2-CZ 4.22Å; F527-F552 HydrophobicContact CZ-CE1 4.16Å; A548-F552 PolarHBondContact O-N 3.03Å; I549-F552 WeakPolarHBondContact O-CB 3.31Å; I549-F552 PolarHBondContact O-N 3.3Å; I549-F552 VanDerWaalsContact O-N 3.08Å; F552-D554 VanDerWaalsContact C-N 3.3Å; F552-D554 PolarHBondContact O-N 2.94Å; F552-Q555 PolarHBondContact O-N 3.11Å; F552-F556 HydrophobicContact CE1-CB 4.49Å; F552-F556 HydrophobicContact CE2-CD2 4.47Å; F552-F556 HydrophobicContact CZ-CB 4.33Å; F552-F556 HydrophobicContact CZ-CD2 4Å; F552-F556 HydrophobicContact CZ-CG 4.45Å; F552-F556 WeakPolarHBondContact O-CB 3.31Å; F552-F556 PolarHBondContact O-N 3.36Å
553L91.3Very high84.1Confident2 Ų228.3 Ų28.31%0.0114%0.141CC..Hα-helixtrans-61.7-38.4179.3-61.7175.5000111.5F527 I530 I549 L550 W551 R557 F591 K594 F615F527-L553 HydrophobicContact CE1-CD2 4.06Å; F527-L553 HydrophobicContact CZ-CD2 4.38Å; I530-L553 HydrophobicContact CD1-CD2 4.16Å; I549-L553 HydrophobicContact CG2-CD1 3.96Å; I549-L553 HydrophobicContact CG2-CG 4.18Å; I549-L553 VanDerWaalsContact O-CG 3.3Å; I549-L553 WeakPolarHBondContact O-CG 3.48Å; I549-L553 PolarHBondContact O-N 3.36Å; L550-L553 PolarHBondContact O-N 2.89Å; W551-L553 PolarHBondContact O-N 3.48Å; L553-R557 VanDerWaalsContact O-CB 3.23Å; L553-R557 WeakPolarHBondContact O-CB 3.07Å; L553-R557 PolarHBondContact O-N 3.39Å; L553-F591 HydrophobicContact CB-CE1 4.23Å; L553-F591 HydrophobicContact CD2-CD1 3.71Å; L553-F591 HydrophobicContact CD2-CE1 3.43Å; L553-F591 VanDerWaalsContact CD2-CE1 3.43Å; L553-F591 HydrophobicContact CD2-CZ 4.41Å; L553-F591 HydrophobicContact CG-CD1 4.46Å; L553-F591 HydrophobicContact CG-CE1 4.33Å; L553-K594 HydrophobicContact CD1-CG 4.28Å; L553-F615 HydrophobicContact CB-CE1 4.07Å; L553-F615 HydrophobicContact CB-CE2 4.27Å; L553-F615 HydrophobicContact CB-CZ 3.73Å; L553-F615 HydrophobicContact CD1-CE1 4.38Å
554D88.5Confident82.8Confident24 Ų2432.7 Ų32.713%0.12816%0.161CC..Hα-helixtrans-67.5-41.7175.1-176.450.1000112.8L550 W551 F552 R557 K558 F615L550-D554 PolarHBondContact O-N 2.93Å; L550-D554 VanDerWaalsContact O-N 3.08Å; W551-D554 PolarHBondContact O-N 3.41Å; F552-D554 VanDerWaalsContact C-N 3.3Å; F552-D554 PolarHBondContact O-N 2.94Å; D554-R557 PolarHBondContact O-N 3.22Å; D554-R557 IonicContact OD1-CZ 3.43Å; D554-R557 IonicContact OD1-NE 3.38Å; D554-R557 PolarHBondContact OD1-NE 3.27Å; D554-R557 IonicContact OD1-NH2 3.25Å; D554-R557 PolarHBondContact OD1-NH2 3.47Å; D554-K558 WeakPolarHBondContact O-CG 3.48Å; D554-K558 PolarHBondContact O-N 2.83Å; D554-K558 IonicContact OD1-NZ 2.9Å; D554-K558 WeakPolarHBondContact OD2-CE 3.45Å; D554-K558 IonicContact OD2-NZ 3.49Å; D554-K558 PolarHBondContact OD2-NZ 3.34Å; D554-F615 HydrophobicContact CB-CD2 3.99Å; D554-F615 HydrophobicContact CB-CE2 4.15Å
555Q87.5Confident81.6Confident37 Ų3732.9 Ų32.917%0.17316%0.164CC..Hα-helixtrans-65.4-46.5175.1-64.7-58.1-31.900111.8G500 W551 F552 R557 K558 T559G500-Q555 VanDerWaalsContact O-CB 3.29Å; G500-Q555 WeakPolarHBondContact O-CB 3.22Å; G500-Q555 WeakPolarHBondContact O-CG 3.28Å; W551-Q555 HydrophobicContact CD2-CG 4.04Å; W551-Q555 HydrophobicContact CE3-CG 4.07Å; W551-Q555 HydrophobicContact CH2-CG 3.7Å; W551-Q555 HydrophobicContact CZ2-CG 3.68Å; W551-Q555 HydrophobicContact CZ3-CG 3.92Å; W551-Q555 WeakPolarHBondContact O-CG 3.18Å; W551-Q555 PolarHBondContact O-N 2.93Å; F552-Q555 PolarHBondContact O-N 3.11Å; Q555-R557 VanDerWaalsContact C-N 3.28Å; Q555-R557 PolarHBondContact O-N 3.17Å; Q555-K558 PolarHBondContact O-N 2.94Å; Q555-T559 WeakPolarHBondContact O-CB 3.37Å; Q555-T559 PolarHBondContact O-N 3.39Å; Q555-T559 PolarHBondContact O-OG1 3.01Å
556F88.4Confident79.7Confident0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-59.1-42.5176-170.7-83.3000111V503 S523 F552 T559 Y560 V561 V571 M575 V587 F591V503-F556 HydrophobicContact CG1-CD2 4.13Å; S523-F556 WeakPolarHBondContact OG-CE2 3.33Å; F552-F556 HydrophobicContact CE1-CB 4.49Å; F552-F556 HydrophobicContact CE2-CD2 4.47Å; F552-F556 HydrophobicContact CZ-CB 4.33Å; F552-F556 HydrophobicContact CZ-CD2 4Å; F552-F556 HydrophobicContact CZ-CG 4.45Å; F552-F556 WeakPolarHBondContact O-CB 3.31Å; F552-F556 PolarHBondContact O-N 3.36Å; F556-T559 PolarHBondContact O-N 3.24Å; F556-Y560 AromaticContact CD2-CD2 3.95Å; F556-Y560 HydrophobicContact CD2-CD2 3.95Å; F556-Y560 AromaticContact CE2-CD2 3.73Å; F556-Y560 HydrophobicContact CE2-CD2 3.73Å; F556-Y560 HydrophobicContact CE2-CE2 4.41Å; F556-Y560 HydrophobicContact CE2-CG 4.47Å; F556-Y560 HydrophobicContact CG-CD2 4.44Å; F556-Y560 HydrophobicContact CZ-CD2 4.05Å; F556-Y560 HydrophobicContact CZ-CG 4.36Å; F556-Y560 PolarHBondContact O-N 3.38Å; F556-V561 HydrophobicContact CD1-CG2 4.08Å; F556-V561 HydrophobicContact CE1-CG2 4Å; F556-V571 HydrophobicContact CE2-CG1 4.17Å; F556-V571 HydrophobicContact CZ-CG1 4.22Å; F556-M575 HydrophobicContact CE2-SD 4.14Å; F556-M575 HydrophobicContact CZ-CE 4.35Å; F556-M575 HydrophobicContact CZ-SD 3.84Å; F556-V587 HydrophobicContact CD1-CG1 4.31Å; F556-V587 HydrophobicContact CE1-CG1 3.99Å; F556-V587 HydrophobicContact CE1-CG2 4.36Å; F556-F591 HydrophobicContact CD1-CZ 4.02Å
557R86.8Confident78.1Confident35 Ų3552.2 Ų52.213%0.13225%0.245CC..Hα-helixtrans-57.6-54175.2-179.4-16466.7125.3-7.9111L553 D554 Q555 T559 V561 F591 F615 D618 L619L553-R557 VanDerWaalsContact O-CB 3.23Å; L553-R557 WeakPolarHBondContact O-CB 3.07Å; L553-R557 PolarHBondContact O-N 3.39Å; D554-R557 PolarHBondContact O-N 3.22Å; D554-R557 IonicContact OD1-CZ 3.43Å; D554-R557 IonicContact OD1-NE 3.38Å; D554-R557 PolarHBondContact OD1-NE 3.27Å; D554-R557 IonicContact OD1-NH2 3.25Å; D554-R557 PolarHBondContact OD1-NH2 3.47Å; Q555-R557 VanDerWaalsContact C-N 3.28Å; Q555-R557 PolarHBondContact O-N 3.17Å; R557-T559 PolarHBondContact O-N 2.89Å; R557-V561 HydrophobicContact CG-CB 4.22Å; R557-V561 CarbonylContact O-C 3.53Å; R557-V561 VanDerWaalsContact O-C 3.29Å; R557-V561 WeakPolarHBondContact O-CA 3.28Å; R557-V561 PolarHBondContact O-N 2.98Å; R557-F591 HydrophobicContact CB-CE2 4.03Å; R557-F591 HydrophobicContact CB-CZ 4.5Å; R557-F591 HydrophobicContact CG-CE2 4.47Å; R557-F615 HydrophobicContact CB-CE2 4.23Å; R557-D618 PolarHBondContact NH1-O 3.25Å; R557-L619 HydrophobicContact CG-CD2 4.06Å
558K84.4Confident76.6Confident123 Ų12357.3 Ų57.354%0.53528%0.278SS..Hα-helixtrans-57.4-34.9-179.6-74166.2175.5165.20112.7D554 Q555D554-K558 WeakPolarHBondContact O-CG 3.48Å; D554-K558 PolarHBondContact O-N 2.83Å; D554-K558 IonicContact OD1-NZ 2.9Å; D554-K558 WeakPolarHBondContact OD2-CE 3.45Å; D554-K558 IonicContact OD2-NZ 3.49Å; D554-K558 PolarHBondContact OD2-NZ 3.34Å; Q555-K558 PolarHBondContact O-N 2.94Å
559T81.9Confident75.5Confident13 Ų1357.9 Ų57.98%0.0828%0.282CS..Hα-helixtrans-85.8-40.4-175.7-61.60000114.5V503 G504 R506 Q555 F556 R557 L565V503-T559 WeakPolarHBondContact O-CG2 3.33Å; V503-T559 PolarHBondContact O-OG1 3Å; G504-T559 WeakPolarHBondContact CA-OG1 3.44Å; R506-T559 HydrophobicContact CB-CG2 3.45Å; R506-T559 VanDerWaalsContact CB-CG2 3.45Å; R506-T559 HydrophobicContact CG-CG2 4.06Å; R506-T559 PolarHBondContact NH1-O 2.85Å; Q555-T559 WeakPolarHBondContact O-CB 3.37Å; Q555-T559 PolarHBondContact O-N 3.39Å; Q555-T559 PolarHBondContact O-OG1 3.01Å; F556-T559 PolarHBondContact O-N 3.24Å; R557-T559 PolarHBondContact O-N 2.89Å; T559-L565 WeakPolarHBondContact O-CD1 3.36Å
560Y80Confident74.7Confident7 Ų762.8 Ų62.83%0.02730%0.304CS..Hα-helixtrans-123.1-14.7-167.7-68.7-60.8000114.6V503 R506 D516 D519 F556 V571V503-Y560 HydrophobicContact CG1-CD2 4.18Å; V503-Y560 HydrophobicContact CG1-CE2 3.85Å; R506-Y560 VanDerWaalsContact CZ-CE1 3.45Å; R506-Y560 VanDerWaalsContact NH1-CE1 3.35Å; D516-Y560 PolarHBondContact OD1-OH 3.08Å; D519-Y560 HydrophobicContact CB-CE2 4.05Å; D519-Y560 VanDerWaalsContact CB-OH 3.24Å; D519-Y560 WeakPolarHBondContact CB-OH 3.44Å; D519-Y560 PolarHBondContact OD2-OH 3.05Å; F556-Y560 AromaticContact CD2-CD2 3.95Å; F556-Y560 HydrophobicContact CD2-CD2 3.95Å; F556-Y560 AromaticContact CE2-CD2 3.73Å; F556-Y560 HydrophobicContact CE2-CD2 3.73Å; F556-Y560 HydrophobicContact CE2-CE2 4.41Å; F556-Y560 HydrophobicContact CE2-CG 4.47Å; F556-Y560 HydrophobicContact CG-CD2 4.44Å; F556-Y560 HydrophobicContact CZ-CD2 4.05Å; F556-Y560 HydrophobicContact CZ-CG 4.36Å; F556-Y560 PolarHBondContact O-N 3.38Å; Y560-V571 HydrophobicContact CD1-CG2 3.87Å; Y560-V571 HydrophobicContact CD2-CG2 4.41Å; Y560-V571 HydrophobicContact CE1-CB 4.49Å; Y560-V571 HydrophobicContact CE1-CG2 3.3Å; Y560-V571 HydrophobicContact CE2-CG1 4.48Å; Y560-V571 HydrophobicContact CE2-CG2 3.88Å; Y560-V571 HydrophobicContact CG-CG2 4.41Å; Y560-V571 WeakPolarHBondContact OH-CG2 3.28Å
561V75.9Confident74.2Confident6 Ų662.3 Ų62.34%0.03630%0.301CS..SBendtrans-122.692.4-175.2-173.80000110.4F556 R557 V587 L588 F591 L625F556-V561 HydrophobicContact CD1-CG2 4.08Å; F556-V561 HydrophobicContact CE1-CG2 4Å; R557-V561 HydrophobicContact CG-CB 4.22Å; R557-V561 CarbonylContact O-C 3.53Å; R557-V561 VanDerWaalsContact O-C 3.29Å; R557-V561 WeakPolarHBondContact O-CA 3.28Å; R557-V561 PolarHBondContact O-N 2.98Å; V561-V587 HydrophobicContact CG2-CG1 4.17Å; V561-L588 HydrophobicContact CG1-CD2 3.9Å; V561-L588 HydrophobicContact CG1-CG 4.41Å; V561-F591 HydrophobicContact CG2-CE2 4.44Å; V561-L625 HydrophobicContact CG1-CD2 3.73Å
562G67.1Low73.7Confident31 Ų3161.9 Ų61.932%0.3230%0.3SS..SBendtrans-174.3167.5178.700000115.9Q564 L565G562-Q564 PolarHBondContact O-N 3.15Å; G562-Q564 VanDerWaalsContact O-N 3.09Å; G562-L565 PolarHBondContact O-N 3.12Å
563D56.2Low73.1Confident83 Ų8364.5 Ų64.544%0.44432%0.322SS..THydrogen-bonded Turntrans-62.9-18.6-168.7-67.1-2000115I624D563-I624 HydrophobicContact CB-CD1 4.13Å; D563-I624 WeakPolarHBondContact OD1-CB 3.5Å
564Q53.3Low72.6Confident190 Ų19068.5 Ų68.589%0.88834%0.336SS*.THydrogen-bonded Turntrans-99.4-4.3-176.1-65-169-4.100114.8G562 Q566G562-Q564 PolarHBondContact O-N 3.15Å; G562-Q564 VanDerWaalsContact O-N 3.09Å; Q564-Q566 PolarHBondContact O-N 3.16Å
565L56.5Low72.3Confident57 Ų5767.3 Ų67.330%0.29833%0.33SS..  trans-94.977.6-175.1-75.8147.9000111.4T559 G562 R567T559-L565 WeakPolarHBondContact O-CD1 3.36Å; G562-L565 PolarHBondContact O-N 3.12Å; L565-R567 PolarHBondContact O-N 2.99Å
566Q48Very low72.1Confident192 Ų19267.8 Ų67.890%0.89734%0.338SS*.  trans-79.28.4174.2-73.2-175-1200114.3Q564Q564-Q566 PolarHBondContact O-N 3.16Å
567R53.5Low71.7Confident216 Ų21674.4 Ų74.482%0.81537%0.368SS*.SBendtrans-104.8120.1178.4-72.2-174.2179.5-1800.2110.3L565 S569L565-R567 PolarHBondContact O-N 2.99Å; R567-S569 VanDerWaalsContact C-N 3.27Å; R567-S569 PolarHBondContact O-N 3.23Å
568T56Low71.4Confident144 Ų14475.2 Ų75.288%0.88338%0.378SS*.  trans-58.690.816345.20000108.6
569S66.1Low71.1Confident12 Ų1272.1 Ų72.18%0.08437%0.366CS..  trans-67.7147.8177.265.80000110R567 V571 Y572R567-S569 VanDerWaalsContact C-N 3.27Å; R567-S569 PolarHBondContact O-N 3.23Å; S569-V571 PolarHBondContact O-N 2.89Å; S569-V571 VanDerWaalsContact O-N 3.11Å; S569-V571 WeakPolarHBondContact OG-CG2 3.4Å; S569-Y572 PolarHBondContact O-N 3.34Å
570K73.4Confident70.9Confident102 Ų10273.6 Ų73.644%0.44338%0.384SS..Hα-helixtrans-66.4-7.8176.2-68.4-168.4-171.8166.50113.5D513 A517 Y572 A573 R574D513-K570 HydrophobicContact CB-CD 3.9Å; D513-K570 HydrophobicContact CB-CG 4.36Å; D513-K570 WeakPolarHBondContact OD2-CE 3.46Å; D513-K570 IonicContact OD2-NZ 2.67Å; A517-K570 HydrophobicContact CB-CB 4.43Å; K570-Y572 VanDerWaalsContact C-N 3.29Å; K570-Y572 PolarHBondContact O-N 3.37Å; K570-A573 WeakPolarHBondContact O-CB 3.39Å; K570-A573 PolarHBondContact O-N 3.49Å; K570-R574 PolarHBondContact O-N 3.44Å
571V80.3Confident70.9Confident0 Ų073.9 Ų73.90%039%0.386CS..Hα-helixtrans-51.5-50.3171.2-176.10000110.6D516 F556 Y560 S569 A573 R574 M575D516-V571 HydrophobicContact CB-CG2 3.81Å; D516-V571 WeakPolarHBondContact O-CA 3.21Å; D516-V571 WeakPolarHBondContact O-CG2 3.26Å; F556-V571 HydrophobicContact CE2-CG1 4.17Å; F556-V571 HydrophobicContact CZ-CG1 4.22Å; Y560-V571 HydrophobicContact CD1-CG2 3.87Å; Y560-V571 HydrophobicContact CD2-CG2 4.41Å; Y560-V571 HydrophobicContact CE1-CB 4.49Å; Y560-V571 HydrophobicContact CE1-CG2 3.3Å; Y560-V571 HydrophobicContact CE2-CG1 4.48Å; Y560-V571 HydrophobicContact CE2-CG2 3.88Å; Y560-V571 HydrophobicContact CG-CG2 4.41Å; Y560-V571 WeakPolarHBondContact OH-CG2 3.28Å; S569-V571 PolarHBondContact O-N 2.89Å; S569-V571 VanDerWaalsContact O-N 3.11Å; S569-V571 WeakPolarHBondContact OG-CG2 3.4Å; V571-A573 VanDerWaalsContact C-N 3.3Å; V571-A573 PolarHBondContact O-N 2.9Å; V571-R574 PolarHBondContact O-N 3.06Å; V571-M575 HydrophobicContact CG1-CG 4.4Å; V571-M575 HydrophobicContact CG1-SD 3.77Å; V571-M575 WeakPolarHBondContact O-CG 3.37Å; V571-M575 PolarHBondContact O-N 2.9Å
572Y80.4Confident70.8Confident25 Ų2577.2 Ų77.210%0.09841%0.407CS..Hα-helixtrans-69.4-27.4-177.2-68-61.7000112.9S569 K570 R574 S576 D584 V587S569-Y572 PolarHBondContact O-N 3.34Å; K570-Y572 VanDerWaalsContact C-N 3.29Å; K570-Y572 PolarHBondContact O-N 3.37Å; Y572-R574 VanDerWaalsContact C-N 3.32Å; Y572-R574 PolarHBondContact O-N 2.96Å; Y572-S576 WeakPolarHBondContact O-CB 3.26Å; Y572-S576 PolarHBondContact O-N 3.45Å; Y572-D584 VanDerWaalsContact CE2-OD1 3.3Å; Y572-D584 WeakPolarHBondContact CE2-OD1 3.45Å; Y572-D584 PolarHBondContact OH-OD1 2.96Å; Y572-V587 HydrophobicContact CE1-CG2 3.8Å
573A80.3Confident71.3Confident56 Ų5678.2 Ų78.246%0.46341%0.405SS..Hα-helixtrans-60.8-46.2174.200000110.3K570 V571 E577K570-A573 WeakPolarHBondContact O-CB 3.39Å; K570-A573 PolarHBondContact O-N 3.49Å; V571-A573 VanDerWaalsContact C-N 3.3Å; V571-A573 PolarHBondContact O-N 2.9Å; A573-E577 WeakPolarHBondContact O-CG 3.39Å; A573-E577 PolarHBondContact O-N 2.89Å
574R79Confident72.4Confident85 Ų8576.2 Ų76.232%0.32139%0.394SS..Hα-helixtrans-72.8-40.4179.6-169.855.8-179.21576.7113.1E521 K570 V571 Y572 S576 E577 V578E521-R574 IonicContact OE1-NH2 3.65Å; E521-R574 IonicContact OE2-CZ 3.24Å; E521-R574 IonicContact OE2-NE 2.69Å; E521-R574 PolarHBondContact OE2-NE 2.87Å; E521-R574 IonicContact OE2-NH2 2.78Å; E521-R574 PolarHBondContact OE2-NH2 3.26Å; E521-R574 VanDerWaalsContact OE2-NH2 3.08Å; K570-R574 PolarHBondContact O-N 3.44Å; V571-R574 PolarHBondContact O-N 3.06Å; Y572-R574 VanDerWaalsContact C-N 3.32Å; Y572-R574 PolarHBondContact O-N 2.96Å; R574-S576 VanDerWaalsContact C-N 3.29Å; R574-S576 PolarHBondContact O-N 3.19Å; R574-E577 WeakPolarHBondContact CD-OE2 3.39Å; R574-E577 IonicContact CZ-OE2 2.66Å; R574-E577 IonicContact NH1-OE2 3.13Å; R574-E577 PolarHBondContact NH1-OE2 3.39Å; R574-E577 PolarHBondContact O-N 3Å; R574-V578 PolarHBondContact O-N 3.21Å
575M82.8Confident73.7Confident0 Ų070.4 Ų70.40%037%0.369CS..Hα-helixtrans-64.1-34.2175.7-68.7-178.865.900112.7F527 F556 V571 L579 G580 I581 V587F527-M575 HydrophobicContact CD2-CE 3.65Å; F527-M575 HydrophobicContact CE2-CE 3.35Å; F527-M575 HydrophobicContact CZ-CE 4.16Å; F556-M575 HydrophobicContact CE2-SD 4.14Å; F556-M575 HydrophobicContact CZ-CE 4.35Å; F556-M575 HydrophobicContact CZ-SD 3.84Å; V571-M575 HydrophobicContact CG1-CG 4.4Å; V571-M575 HydrophobicContact CG1-SD 3.77Å; V571-M575 WeakPolarHBondContact O-CG 3.37Å; V571-M575 PolarHBondContact O-N 2.9Å; M575-L579 WeakPolarHBondContact O-CA 3.37Å; M575-L579 WeakPolarHBondContact O-CB 3.23Å; M575-L579 PolarHBondContact O-N 3.43Å; M575-G580 PolarHBondContact O-N 3.29Å; M575-I581 CarbonylContact C-O 3.51Å; M575-I581 HydrophobicContact CB-CB 4.32Å; M575-I581 HydrophobicContact CE-CB 4.27Å; M575-I581 HydrophobicContact CE-CD1 3.84Å; M575-I581 HydrophobicContact CE-CG2 4.01Å; M575-I581 PolarHBondContact O-N 3.13Å; M575-V587 HydrophobicContact CE-CG2 4.27Å
576S83Confident75Confident47 Ų4771.4 Ų71.433%0.32937%0.372SS..Hα-helixtrans-62.6-45.6174.2178.40000111.5Y572 R574 V578 G580 I581Y572-S576 WeakPolarHBondContact O-CB 3.26Å; Y572-S576 PolarHBondContact O-N 3.45Å; R574-S576 VanDerWaalsContact C-N 3.29Å; R574-S576 PolarHBondContact O-N 3.19Å; S576-V578 PolarHBondContact O-N 3.35Å; S576-G580 VanDerWaalsContact O-CA 3.27Å; S576-G580 WeakPolarHBondContact O-CA 3.36Å; S576-G580 PolarHBondContact O-N 3.22Å; S576-I581 VanDerWaalsContact CA-O 3.32Å; S576-I581 WeakPolarHBondContact CA-O 3.28Å; S576-I581 PolarHBondContact N-O 2.99Å; S576-I581 VanDerWaalsContact N-O 3.13Å
577E80.9Confident76.8Confident138 Ų13862.2 Ų62.265%0.64533%0.329SS*.Hα-helixtrans-62.5-39.7179.5-71.4172.7-177.400113.4A573 R574A573-E577 WeakPolarHBondContact O-CG 3.39Å; A573-E577 PolarHBondContact O-N 2.89Å; R574-E577 WeakPolarHBondContact CD-OE2 3.39Å; R574-E577 IonicContact CZ-OE2 2.66Å; R574-E577 IonicContact NH1-OE2 3.13Å; R574-E577 PolarHBondContact NH1-OE2 3.39Å; R574-E577 PolarHBondContact O-N 3Å
578V79.7Confident78.3Confident53 Ų5352 Ų5232%0.32129%0.29SS..Hα-helixtrans-94.7-38.1-171.4-179.50000112.8C524 R574 S576C524-V578 HydrophobicContact CB-CB 4.48Å; C524-V578 HydrophobicContact CB-CG1 4.2Å; R574-V578 PolarHBondContact O-N 3.21Å; S576-V578 PolarHBondContact O-N 3.35Å
579L79.1Confident79.8Confident58 Ų5849.4 Ų49.430%0.30427%0.268SS..Hα-helixtrans-118-9.3-171.5-66.1173.5000113.7C524 F527 Q528 M575 I581C524-L579 HydrophobicContact CB-CD1 4.24Å; F527-L579 HydrophobicContact CB-CD1 3.47Å; F527-L579 VanDerWaalsContact CB-CD1 3.47Å; F527-L579 HydrophobicContact CD2-CD1 4.21Å; F527-L579 HydrophobicContact CG-CD1 4.13Å; Q528-L579 HydrophobicContact CG-CD2 3.8Å; M575-L579 WeakPolarHBondContact O-CA 3.37Å; M575-L579 WeakPolarHBondContact O-CB 3.23Å; M575-L579 PolarHBondContact O-N 3.43Å; L579-I581 HydrophobicContact CB-CD1 4.03Å; L579-I581 HydrophobicContact CB-CG1 3.94Å; L579-I581 HydrophobicContact CD1-CD1 4Å; L579-I581 PolarHBondContact O-N 3.18Å
580G77Confident80.8Confident44 Ų4450.8 Ų50.845%0.45428%0.276SS..  trans72.810.3-171.500000114M575 S576 T582M575-G580 PolarHBondContact O-N 3.29Å; S576-G580 VanDerWaalsContact O-CA 3.27Å; S576-G580 WeakPolarHBondContact O-CA 3.36Å; S576-G580 PolarHBondContact O-N 3.22Å; G580-T582 PolarHBondContact O-N 3.07Å
581I80.6Confident81.5Confident13 Ų1346 Ų467%0.06726%0.255CS..  trans-82.399.8177.6-61.6175.2000108.3M575 S576 L579 H586 V587M575-I581 CarbonylContact C-O 3.51Å; M575-I581 HydrophobicContact CB-CB 4.32Å; M575-I581 HydrophobicContact CE-CB 4.27Å; M575-I581 HydrophobicContact CE-CD1 3.84Å; M575-I581 HydrophobicContact CE-CG2 4.01Å; M575-I581 PolarHBondContact O-N 3.13Å; S576-I581 VanDerWaalsContact CA-O 3.32Å; S576-I581 WeakPolarHBondContact CA-O 3.28Å; S576-I581 PolarHBondContact N-O 2.99Å; S576-I581 VanDerWaalsContact N-O 3.13Å; L579-I581 HydrophobicContact CB-CD1 4.03Å; L579-I581 HydrophobicContact CB-CG1 3.94Å; L579-I581 HydrophobicContact CD1-CD1 4Å; L579-I581 PolarHBondContact O-N 3.18Å; I581-H586 HydrophobicContact CB-CB 4.44Å; I581-H586 HydrophobicContact CG2-CB 3.92Å; I581-V587 HydrophobicContact CG2-CG2 3.42Å; I581-V587 VanDerWaalsContact CG2-CG2 3.42Å
582T74.5Confident82Confident76 Ų7646 Ų4647%0.46626%0.255SS..  trans-89.6-28-17254.70000114G580 H586G580-T582 PolarHBondContact O-N 3.07Å; T582-H586 PolarHBondContact OG1-CE1 3.36Å; T582-H586 PolarHBondContact OG1-ND1 3.32Å
583D76.7Confident82.4Confident52 Ų5247.9 Ų47.928%0.27827%0.27SS..SBendtrans-149.4175.7-172.273.9-5.1000112.9N585 H586 V587D583-N585 PolarHBondContact O-N 2.89Å; D583-N585 WeakPolarHBondContact OD1-CB 3.13Å; D583-N585 PolarHBondContact OD1-N 3.19Å; D583-N585 PolarHBondContact OD2-ND2 2.78Å; D583-H586 PolarHBondContact O-N 3.47Å; D583-H586 IonicContact OD1-CE1 2.73Å; D583-H586 IonicContact OD1-CG 3.94Å; D583-H586 PolarHBondContact OD1-N 2.91Å; D583-H586 IonicContact OD1-ND1 3.22Å; D583-H586 PolarHBondContact OD1-ND1 3.29Å; D583-V587 PolarHBondContact O-N 3.14Å
584D78.9Confident82.9Confident40 Ų4045.3 Ų45.321%0.21425%0.248CC..Hα-helixtrans-54.6-31.9174.6-59.1-17.9000112.7Y572 V587 L588 K628Y572-D584 VanDerWaalsContact CE2-OD1 3.3Å; Y572-D584 WeakPolarHBondContact CE2-OD1 3.45Å; Y572-D584 PolarHBondContact OH-OD1 2.96Å; D584-V587 PolarHBondContact O-N 2.98Å; D584-L588 VanDerWaalsContact O-CG 3.26Å; D584-L588 WeakPolarHBondContact O-CG 3.46Å; D584-L588 PolarHBondContact O-N 3.5Å; D584-K628 IonicContact OD2-NZ 3.19Å; D584-K628 PolarHBondContact OD2-NZ 2.99Å; D584-K628 VanDerWaalsContact OD2-NZ 3.13Å
585N81.9Confident83.4Confident69 Ų6941.3 Ų41.337%0.36923%0.233SC..Hα-helixtrans-70.7-41.9-174-59.7-49.9000111.2D583 V587 L588 E589 K628D583-N585 PolarHBondContact O-N 2.89Å; D583-N585 WeakPolarHBondContact OD1-CB 3.13Å; D583-N585 PolarHBondContact OD1-N 3.19Å; D583-N585 PolarHBondContact OD2-ND2 2.78Å; N585-V587 VanDerWaalsContact C-N 3.3Å; N585-V587 PolarHBondContact O-N 2.08Å; N585-L588 PolarHBondContact O-N 3.43Å; N585-E589 PolarHBondContact O-N 3.13Å; N585-K628 WeakPolarHBondContact OD1-CD 3.36Å
586H82.7Confident83.7Confident77 Ų7741.9 Ų41.936%0.35624%0.237SC..Hα-helixtrans-64.1-35.1174.3-6789.7000111.8I581 T582 D583 E589 T590I581-H586 HydrophobicContact CB-CB 4.44Å; I581-H586 HydrophobicContact CG2-CB 3.92Å; T582-H586 PolarHBondContact OG1-CE1 3.36Å; T582-H586 PolarHBondContact OG1-ND1 3.32Å; D583-H586 PolarHBondContact O-N 3.47Å; D583-H586 IonicContact OD1-CE1 2.73Å; D583-H586 IonicContact OD1-CG 3.94Å; D583-H586 PolarHBondContact OD1-N 2.91Å; D583-H586 IonicContact OD1-ND1 3.22Å; D583-H586 PolarHBondContact OD1-ND1 3.29Å; H586-E589 PolarHBondContact O-N 3.2Å; H586-T590 PolarHBondContact O-N 3.19Å; H586-T590 VanDerWaalsContact O-N 3.08Å; H586-T590 PolarHBondContact O-OG1 2.73Å
587V85.4Confident83.9Confident0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-64.6-46172.7174.60000111F556 V561 Y572 M575 I581 D583 D584 N585 E589 T590 F591F556-V587 HydrophobicContact CD1-CG1 4.31Å; F556-V587 HydrophobicContact CE1-CG1 3.99Å; F556-V587 HydrophobicContact CE1-CG2 4.36Å; V561-V587 HydrophobicContact CG2-CG1 4.17Å; Y572-V587 HydrophobicContact CE1-CG2 3.8Å; M575-V587 HydrophobicContact CE-CG2 4.27Å; I581-V587 HydrophobicContact CG2-CG2 3.42Å; I581-V587 VanDerWaalsContact CG2-CG2 3.42Å; D583-V587 PolarHBondContact O-N 3.14Å; D584-V587 PolarHBondContact O-N 2.98Å; N585-V587 VanDerWaalsContact C-N 3.3Å; N585-V587 PolarHBondContact O-N 2.08Å; V587-E589 VanDerWaalsContact C-N 3.27Å; V587-E589 PolarHBondContact O-N 2.83Å; V587-T590 WeakPolarHBondContact O-CB 3.27Å; V587-T590 PolarHBondContact O-N 3.14Å; V587-T590 VanDerWaalsContact O-N 3.13Å; V587-F591 HydrophobicContact CG1-CD1 3.96Å; V587-F591 HydrophobicContact CG1-CD2 4.39Å; V587-F591 HydrophobicContact CG1-CE1 3.42Å; V587-F591 VanDerWaalsContact CG1-CE1 3.42Å; V587-F591 HydrophobicContact CG1-CE2 3.9Å; V587-F591 HydrophobicContact CG1-CG 4.44Å; V587-F591 HydrophobicContact CG1-CZ 3.41Å; V587-F591 VanDerWaalsContact CG1-CZ 3.41Å; V587-F591 WeakPolarHBondContact O-CD1 3.39Å; V587-F591 WeakPolarHBondContact O-CG 3.21Å; V587-F591 PolarHBondContact O-N 3.16Å
588L85.3Confident84.2Confident0 Ų034.2 Ų34.20%020%0.197CC..Hα-helixtrans-61.9-36.1177.5-69.7172.6000112V561 D584 N585 F591 M592 L619 L625 K628 L629 I632V561-L588 HydrophobicContact CG1-CD2 3.9Å; V561-L588 HydrophobicContact CG1-CG 4.41Å; D584-L588 VanDerWaalsContact O-CG 3.26Å; D584-L588 WeakPolarHBondContact O-CG 3.46Å; D584-L588 PolarHBondContact O-N 3.5Å; N585-L588 PolarHBondContact O-N 3.43Å; L588-F591 HydrophobicContact CD2-CD2 4.19Å; L588-F591 PolarHBondContact O-N 3.21Å; L588-M592 WeakPolarHBondContact O-CB 3.39Å; L588-M592 WeakPolarHBondContact O-CG 3.43Å; L588-M592 PolarHBondContact O-N 3.45Å; L588-L619 HydrophobicContact CD2-CD2 4.27Å; L588-L625 HydrophobicContact CD1-CD2 3.99Å; L588-L625 HydrophobicContact CD2-CD2 3.83Å; L588-K628 HydrophobicContact CD1-CB 3.84Å; L588-K628 HydrophobicContact CD1-CD 4.07Å; L588-L629 HydrophobicContact CB-CD2 4.16Å; L588-L629 HydrophobicContact CD2-CD2 4.05Å; L588-L629 HydrophobicContact CG-CD2 4.47Å; L588-I632 HydrophobicContact CB-CD1 3.76Å
589E87.3Confident84.5Confident91 Ų9131.7 Ų31.743%0.42518%0.182SC..Hα-helixtrans-63.5-42173.5-177.8171.6-158.600111.8N585 H586 V587 M592 T593 I632N585-E589 PolarHBondContact O-N 3.13Å; H586-E589 PolarHBondContact O-N 3.2Å; V587-E589 VanDerWaalsContact C-N 3.27Å; V587-E589 PolarHBondContact O-N 2.83Å; E589-M592 PolarHBondContact O-N 2.87Å; E589-T593 WeakPolarHBondContact O-CB 3.38Å; E589-T593 PolarHBondContact O-N 3.42Å; E589-T593 PolarHBondContact O-OG1 3.15Å; E589-I632 HydrophobicContact CB-CG2 4.26Å; E589-I632 HydrophobicContact CG-CG2 4.13Å
590T86.7Confident84.8Confident41 Ų4132.4 Ų32.425%0.25218%0.182SC..Hα-helixtrans-63-43.5174.7-53.90000111.2F527 H586 V587 T593 K594F527-T590 HydrophobicContact CD1-CG2 3.81Å; F527-T590 HydrophobicContact CE1-CG2 3.8Å; H586-T590 PolarHBondContact O-N 3.19Å; H586-T590 VanDerWaalsContact O-N 3.08Å; H586-T590 PolarHBondContact O-OG1 2.73Å; V587-T590 WeakPolarHBondContact O-CB 3.27Å; V587-T590 PolarHBondContact O-N 3.14Å; V587-T590 VanDerWaalsContact O-N 3.13Å; T590-T593 PolarHBondContact O-N 3.15Å; T590-K594 PolarHBondContact O-N 3.02Å
591F89.9Confident85Confident0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-59.4-49.1176.1-70.60.9000111.4F527 L553 F556 R557 V561 V587 L588 K594 I595 F615 L619F527-F591 HydrophobicContact CE1-CE1 4.37Å; F527-F591 HydrophobicContact CZ-CE1 4.21Å; L553-F591 HydrophobicContact CB-CE1 4.23Å; L553-F591 HydrophobicContact CD2-CD1 3.71Å; L553-F591 HydrophobicContact CD2-CE1 3.43Å; L553-F591 VanDerWaalsContact CD2-CE1 3.43Å; L553-F591 HydrophobicContact CD2-CZ 4.41Å; L553-F591 HydrophobicContact CG-CD1 4.46Å; L553-F591 HydrophobicContact CG-CE1 4.33Å; F556-F591 HydrophobicContact CD1-CZ 4.02Å; R557-F591 HydrophobicContact CB-CE2 4.03Å; R557-F591 HydrophobicContact CB-CZ 4.5Å; R557-F591 HydrophobicContact CG-CE2 4.47Å; V561-F591 HydrophobicContact CG2-CE2 4.44Å; V587-F591 HydrophobicContact CG1-CD1 3.96Å; V587-F591 HydrophobicContact CG1-CD2 4.39Å; V587-F591 HydrophobicContact CG1-CE1 3.42Å; V587-F591 VanDerWaalsContact CG1-CE1 3.42Å; V587-F591 HydrophobicContact CG1-CE2 3.9Å; V587-F591 HydrophobicContact CG1-CG 4.44Å; V587-F591 HydrophobicContact CG1-CZ 3.41Å; V587-F591 VanDerWaalsContact CG1-CZ 3.41Å; V587-F591 WeakPolarHBondContact O-CD1 3.39Å; V587-F591 WeakPolarHBondContact O-CG 3.21Å; V587-F591 PolarHBondContact O-N 3.16Å; L588-F591 HydrophobicContact CD2-CD2 4.19Å; L588-F591 PolarHBondContact O-N 3.21Å; F591-K594 PolarHBondContact O-N 3.41Å; F591-I595 VanDerWaalsContact O-CG1 3.3Å; F591-I595 WeakPolarHBondContact O-CG1 3.4Å; F591-I595 PolarHBondContact O-N 2.72Å; F591-F615 HydrophobicContact CB-CE1 4.21Å; F591-F615 HydrophobicContact CD2-CE1 4.21Å; F591-F615 AromaticContact CD2-CZ 3.71Å; F591-F615 HydrophobicContact CD2-CZ 3.71Å; F591-F615 AromaticContact CE2-CZ 3.94Å; F591-F615 HydrophobicContact CE2-CZ 3.94Å; F591-F615 HydrophobicContact CG-CE1 4.2Å; F591-F615 HydrophobicContact CG-CZ 4.07Å; F591-F615 HydrophobicContact CZ-CZ 4.48Å; F591-L619 HydrophobicContact CD2-CD1 4.45Å; F591-L619 HydrophobicContact CD2-CD2 4.26Å
592M89.4Confident85Confident0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-66.9-39.1-178.9-70.9-53.9-45.100112.2L588 E589 K594 I595 V596 L616 L629 I632 A634 V635 M638L588-M592 WeakPolarHBondContact O-CB 3.39Å; L588-M592 WeakPolarHBondContact O-CG 3.43Å; L588-M592 PolarHBondContact O-N 3.45Å; E589-M592 PolarHBondContact O-N 2.87Å; M592-K594 VanDerWaalsContact C-N 3.34Å; M592-K594 PolarHBondContact O-N 3.47Å; M592-I595 HydrophobicContact CE-CD1 4.43Å; M592-I595 PolarHBondContact O-N 2.74Å; M592-I595 HydrophobicContact SD-CD1 3.97Å; M592-V596 WeakPolarHBondContact O-CG2 3.37Å; M592-V596 PolarHBondContact O-N 3.11Å; M592-L616 HydrophobicContact CE-CD1 3.92Å; M592-L616 HydrophobicContact SD-CD1 4.07Å; M592-L629 HydrophobicContact CG-CD2 3.74Å; M592-L629 HydrophobicContact SD-CD2 3.9Å; M592-I632 HydrophobicContact CB-CG2 4.37Å; M592-I632 HydrophobicContact CG-CD1 4.11Å; M592-A634 HydrophobicContact CB-CB 3.93Å; M592-V635 HydrophobicContact CE-CG2 3.57Å; M592-V635 HydrophobicContact CG-CG2 3.9Å; M592-V635 HydrophobicContact SD-CG2 3.96Å; M592-M638 HydrophobicContact CE-SD 3.57Å; M592-M638 VanDerWaalsContact CE-SD 3.57Å
593T89.5Confident84.7Confident65 Ų6533.4 Ų33.440%0.39917%0.165SC..Hα-helixtrans-59.9-46.5174.6-58.80000110.6E589 T590 I595 V596 T597E589-T593 WeakPolarHBondContact O-CB 3.38Å; E589-T593 PolarHBondContact O-N 3.42Å; E589-T593 PolarHBondContact O-OG1 3.15Å; T590-T593 PolarHBondContact O-N 3.15Å; T593-I595 PolarHBondContact O-N 3.26Å; T593-V596 PolarHBondContact O-N 3.13Å; T593-T597 PolarHBondContact O-N 3.34Å; T593-T597 PolarHBondContact O-OG1 2.8Å
594K89.8Confident84.4Confident3 Ų342 Ų421%0.01319%0.194CC..Hα-helixtrans-64-41.3177.6-17360.9178.5-174.10112.6I530 D534 E546 L553 T590 F591 M592 V596 T597 N598I530-K594 HydrophobicContact CG2-CD 3.98Å; D534-K594 IonicContact OD1-NZ 3.23Å; D534-K594 PolarHBondContact OD1-NZ 2.94Å; D534-K594 IonicContact OD2-NZ 3.53Å; E546-K594 VanDerWaalsContact CD-NZ 3.25Å; E546-K594 IonicContact OE1-NZ 3.44Å; E546-K594 PolarHBondContact OE1-NZ 3.1Å; E546-K594 WeakPolarHBondContact OE2-CE 3.43Å; E546-K594 IonicContact OE2-NZ 2.91Å; E546-K594 PolarHBondContact OE2-NZ 3.07Å; L553-K594 HydrophobicContact CD1-CG 4.28Å; T590-K594 PolarHBondContact O-N 3.02Å; F591-K594 PolarHBondContact O-N 3.41Å; M592-K594 VanDerWaalsContact C-N 3.34Å; M592-K594 PolarHBondContact O-N 3.47Å; K594-V596 VanDerWaalsContact C-N 3.34Å; K594-V596 PolarHBondContact O-N 3.45Å; K594-T597 PolarHBondContact O-N 2.82Å; K594-N598 VanDerWaalsContact CE-OD1 3.31Å; K594-N598 WeakPolarHBondContact CE-OD1 3.32Å; K594-N598 WeakPolarHBondContact O-CB 3.02Å; K594-N598 PolarHBondContact O-N 3.34Å; K594-N598 PolarHBondContact O-OD1 3.43Å
595I89.8Confident84.4Confident1 Ų140.6 Ų40.61%0.00519%0.187CC..Hα-helixtrans-57.3-48.3174.1-71.5163.9000110.3F591 M592 T593 T597 N598 L599 T612 F615 L616 L619 M638F591-I595 VanDerWaalsContact O-CG1 3.3Å; F591-I595 WeakPolarHBondContact O-CG1 3.4Å; F591-I595 PolarHBondContact O-N 2.72Å; M592-I595 HydrophobicContact CE-CD1 4.43Å; M592-I595 PolarHBondContact O-N 2.74Å; M592-I595 HydrophobicContact SD-CD1 3.97Å; T593-I595 PolarHBondContact O-N 3.26Å; I595-T597 PolarHBondContact O-N 3.35Å; I595-N598 PolarHBondContact O-N 3.23Å; I595-L599 HydrophobicContact CG2-CD1 3.91Å; I595-L599 HydrophobicContact CG2-CG 4.4Å; I595-L599 VanDerWaalsContact O-CG 3.28Å; I595-L599 WeakPolarHBondContact O-CG 3.38Å; I595-L599 PolarHBondContact O-N 2.93Å; I595-T612 HydrophobicContact CB-CG2 4.19Å; I595-T612 HydrophobicContact CG1-CG2 4.1Å; I595-T612 HydrophobicContact CG2-CG2 3.94Å; I595-F615 HydrophobicContact CD1-CD1 3.86Å; I595-F615 HydrophobicContact CD1-CE1 4.12Å; I595-F615 HydrophobicContact CG1-CD1 4.13Å; I595-L616 HydrophobicContact CD1-CB 4.19Å; I595-L616 HydrophobicContact CD1-CD1 4.13Å; I595-L616 HydrophobicContact CG2-CB 4.48Å; I595-L616 HydrophobicContact CG2-CD2 4.37Å; I595-L619 HydrophobicContact CD1-CD1 3.9Å; I595-M638 HydrophobicContact CG2-CE 4.42Å
596V89Confident84.2Confident12 Ų1241.1 Ų41.17%0.07319%0.187CC..Hα-helixtrans-62.9-43.8179.1172.30000111.4M592 T593 K594 N598 L599 K600 A634 M638M592-V596 WeakPolarHBondContact O-CG2 3.37Å; M592-V596 PolarHBondContact O-N 3.11Å; T593-V596 PolarHBondContact O-N 3.13Å; K594-V596 VanDerWaalsContact C-N 3.34Å; K594-V596 PolarHBondContact O-N 3.45Å; V596-N598 VanDerWaalsContact C-N 3.34Å; V596-N598 PolarHBondContact O-N 2.93Å; V596-L599 PolarHBondContact O-N 2.94Å; V596-K600 HydrophobicContact CG1-CD 3.85Å; V596-K600 HydrophobicContact CG1-CG 4.39Å; V596-K600 WeakPolarHBondContact O-CB 3.16Å; V596-K600 VanDerWaalsContact O-CG 3.3Å; V596-K600 WeakPolarHBondContact O-CG 3.5Å; V596-K600 PolarHBondContact O-N 3.45Å; V596-A634 HydrophobicContact CG2-CB 4.32Å; V596-M638 HydrophobicContact CG2-CG 3.7Å; V596-M638 HydrophobicContact CG2-SD 3.55Å; V596-M638 VanDerWaalsContact CG2-SD 3.55Å
597T88Confident84.2Confident22 Ų2240.7 Ų40.714%0.13519%0.191CC..Hα-helixtrans-58.1-46.7175.2-60.50000110.9L537 T593 K594 I595 L599 K600 Y601L537-T597 HydrophobicContact CD1-CG2 3.49Å; L537-T597 VanDerWaalsContact CD1-CG2 3.49Å; T593-T597 PolarHBondContact O-N 3.34Å; T593-T597 PolarHBondContact O-OG1 2.8Å; K594-T597 PolarHBondContact O-N 2.82Å; I595-T597 PolarHBondContact O-N 3.35Å; T597-L599 PolarHBondContact O-N 3.45Å; T597-K600 PolarHBondContact O-N 3.31Å; T597-Y601 HydrophobicContact CG2-CD2 3.76Å; T597-Y601 HydrophobicContact CG2-CE2 4.13Å; T597-Y601 VanDerWaalsContact O-CD2 3.31Å; T597-Y601 WeakPolarHBondContact O-CD2 3.27Å; T597-Y601 PolarHBondContact O-N 3.48Å
598N87.7Confident84.2Confident1 Ų140.7 Ų40.71%0.00519%0.191CC..Hα-helixtrans-62.8-46.2179.7-75.69.7000111.8E546 K594 I595 V596 K600 W602 T612E546-N598 PolarHBondContact OE2-ND2 2.99Å; E546-N598 PolarHBondContact OE2-OD1 3.06Å; K594-N598 VanDerWaalsContact CE-OD1 3.31Å; K594-N598 WeakPolarHBondContact CE-OD1 3.32Å; K594-N598 WeakPolarHBondContact O-CB 3.02Å; K594-N598 PolarHBondContact O-N 3.34Å; K594-N598 PolarHBondContact O-OD1 3.43Å; I595-N598 PolarHBondContact O-N 3.23Å; V596-N598 VanDerWaalsContact C-N 3.34Å; V596-N598 PolarHBondContact O-N 2.93Å; N598-K600 VanDerWaalsContact C-N 3.29Å; N598-K600 PolarHBondContact O-N 2.97Å; N598-W602 WeakPolarHBondContact O-CA 3.18Å; N598-W602 VanDerWaalsContact O-CB 3.24Å; N598-W602 WeakPolarHBondContact O-CB 3.22Å; N598-W602 PolarHBondContact O-N 3Å; N598-T612 HydrophobicContact CB-CG2 3.96Å; N598-T612 PolarHBondContact ND2-OG1 3.35Å
599L85.9Confident84.3Confident0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-67.2-28179.2-63176.7000113.4I595 V596 T597 I609 T612 L613 M638 F647 F649 F667I595-L599 HydrophobicContact CG2-CD1 3.91Å; I595-L599 HydrophobicContact CG2-CG 4.4Å; I595-L599 VanDerWaalsContact O-CG 3.28Å; I595-L599 WeakPolarHBondContact O-CG 3.38Å; I595-L599 PolarHBondContact O-N 2.93Å; V596-L599 PolarHBondContact O-N 2.94Å; T597-L599 PolarHBondContact O-N 3.45Å; L599-I609 HydrophobicContact CD2-CG2 4.35Å; L599-T612 HydrophobicContact CD2-CG2 4.21Å; L599-T612 HydrophobicContact CG-CG2 4.26Å; L599-L613 HydrophobicContact CD1-CD2 4.18Å; L599-L613 HydrophobicContact CD2-CD2 3.8Å; L599-L613 HydrophobicContact CD2-CG 4.06Å; L599-M638 HydrophobicContact CD1-CE 3.94Å; L599-F647 HydrophobicContact CB-CD1 3.53Å; L599-F647 HydrophobicContact CB-CE1 3.75Å; L599-F647 HydrophobicContact CD1-CE1 4.34Å; L599-F649 HydrophobicContact CB-CE1 4.31Å; L599-F649 HydrophobicContact CD2-CD1 4.31Å; L599-F649 HydrophobicContact CD2-CE1 3.8Å; L599-F649 HydrophobicContact CD2-CZ 4.37Å; L599-F649 HydrophobicContact CG-CE1 4.43Å; L599-F667 HydrophobicContact CD1-CD2 4.26Å; L599-F667 HydrophobicContact CD1-CE2 3.91Å
600K84.7Confident84.3Confident73 Ų7339.3 Ų39.332%0.31719%0.191SC..Hα-helixtrans-77.1-49.2177.6-78.1177.8177178.10112.7V596 T597 N598 H646 F647V596-K600 HydrophobicContact CG1-CD 3.85Å; V596-K600 HydrophobicContact CG1-CG 4.39Å; V596-K600 WeakPolarHBondContact O-CB 3.16Å; V596-K600 VanDerWaalsContact O-CG 3.3Å; V596-K600 WeakPolarHBondContact O-CG 3.5Å; V596-K600 PolarHBondContact O-N 3.45Å; T597-K600 PolarHBondContact O-N 3.31Å; N598-K600 VanDerWaalsContact C-N 3.29Å; N598-K600 PolarHBondContact O-N 2.97Å; K600-H646 WeakPolarHBondContact CG-O 3.46Å; K600-F647 HydrophobicContact CG-CD1 4.42Å; K600-F647 HydrophobicContact CG-CE1 4.26Å
601Y82.2Confident84.4Confident136 Ų13643.4 Ų43.453%0.53320%0.201SC..Hα-helixtrans-97.2-27.8-169.7-63.7-71.4000113.9L537 T597 G603L537-Y601 HydrophobicContact CD1-CD2 4.03Å; L537-Y601 HydrophobicContact CD1-CG 4.42Å; T597-Y601 HydrophobicContact CG2-CD2 3.76Å; T597-Y601 HydrophobicContact CG2-CE2 4.13Å; T597-Y601 VanDerWaalsContact O-CD2 3.31Å; T597-Y601 WeakPolarHBondContact O-CD2 3.27Å; T597-Y601 PolarHBondContact O-N 3.48Å; Y601-G603 PolarHBondContact O-N 3.24Å
602W78.8Confident84.4Confident16 Ų1643.4 Ų43.46%0.06120%0.201CC..  trans-97.322.4-178.1-65.787.6000113.7S541 E543 E546 N598 R604 C605 V608 I609S541-W602 VanDerWaalsContact CB-CH2 3.47Å; E543-W602 HydrophobicContact CB-CZ3 4.35Å; E543-W602 HydrophobicContact CG-CE3 4.32Å; E543-W602 HydrophobicContact CG-CH2 4.05Å; E543-W602 HydrophobicContact CG-CZ3 3.44Å; E543-W602 VanDerWaalsContact CG-CZ3 3.44Å; E546-W602 HydrophobicContact CB-CZ2 4.46Å; E546-W602 HydrophobicContact CG-CH2 4.31Å; E546-W602 HydrophobicContact CG-CZ2 3.46Å; E546-W602 VanDerWaalsContact CG-CZ2 3.46Å; N598-W602 WeakPolarHBondContact O-CA 3.18Å; N598-W602 VanDerWaalsContact O-CB 3.24Å; N598-W602 WeakPolarHBondContact O-CB 3.22Å; N598-W602 PolarHBondContact O-N 3Å; W602-R604 PolarHBondContact O-N 3.23Å; W602-C605 HydrophobicContact CE3-CB 3.98Å; W602-C605 PolarHBondContact O-N 3.39Å; W602-V608 HydrophobicContact CB-CB 4.44Å; W602-V608 HydrophobicContact CB-CG1 3.96Å; W602-V608 HydrophobicContact CD2-CG1 4.35Å; W602-V608 HydrophobicContact CE3-CG2 4.4Å; W602-V608 HydrophobicContact CG-CG1 4.02Å; W602-I609 WeakPolarHBondContact O-CD1 3.41Å; W602-I609 WeakPolarHBondContact O-CG1 3.44Å
603G70.1Confident84.4Confident3 Ų343.4 Ų43.43%0.03120%0.202CC..THydrogen-bonded Turntrans-57.3-5.1-17700000116.8Y601 Y656Y601-G603 PolarHBondContact O-N 3.24Å; G603-Y656 VanDerWaalsContact O-CE1 3.26Å; G603-Y656 WeakPolarHBondContact O-CE1 3.26Å; G603-Y656 PolarHBondContact O-OH 2.7Å
604R70Confident84.5Confident233 Ų23344.1 Ų44.188%0.87920%0.2SC*.THydrogen-bonded Turntrans-110.1-9.9178.4-62.5-178-178.9178.40.3113.9W602W602-R604 PolarHBondContact O-N 3.23Å
605C77.4Confident84.5Confident10 Ų1044.3 Ų44.37%0.06820%0.201CC..  trans-104.699.8-177.5-173.90000110.1E543 W602 V608 I609E543-C605 PolarHBondContact OE1-SG 2.93Å; W602-C605 HydrophobicContact CE3-CB 3.98Å; W602-C605 PolarHBondContact O-N 3.39Å; C605-V608 HydrophobicContact CB-CB 4.36Å; C605-V608 HydrophobicContact CB-CG2 4.4Å; C605-V608 PolarHBondContact O-N 2.93Å; C605-I609 WeakPolarHBondContact O-CD1 3.32Å; C605-I609 WeakPolarHBondContact O-CG1 3.43Å; C605-I609 PolarHBondContact O-N 3.45Å
606E78.9Confident84.6Confident80 Ų8044.3 Ų44.337%0.37420%0.201SC..Hα-helixtrans-55.2-45.6-178.7-172.5-159.8-174.300113V608 I609 S610E606-V608 PolarHBondContact O-N 3.11Å; E606-I609 PolarHBondContact O-N 3.17Å; E606-S610 VanDerWaalsContact O-CB 3.32Å; E606-S610 WeakPolarHBondContact O-CB 3.2Å; E606-S610 PolarHBondContact O-N 3.26Å
607P82.4Confident84.6Confident67 Ų6745 Ų4544%0.43520%0.204SC..Hα-helixtrans-59.8-44.7-178.2-25.435000113.5S610 R611P607-S610 PolarHBondContact O-N 3.34Å; P607-R611 WeakPolarHBondContact O-CB 3.33Å; P607-R611 WeakPolarHBondContact O-CG 3.49Å; P607-R611 PolarHBondContact O-N 2.96Å
608V85.8Confident84.6Confident0 Ų046 Ų460%021%0.209CC..Hα-helixtrans-66.5-43.8179.81760000110.4E546 L547 L550 W602 C605 E606 R611 T612E546-V608 HydrophobicContact CB-CG1 4.44Å; E546-V608 HydrophobicContact CB-CG2 4.46Å; L547-V608 HydrophobicContact CD2-CG2 4.14Å; L547-V608 HydrophobicContact CG-CG2 4.2Å; L550-V608 HydrophobicContact CD1-CG1 4.46Å; W602-V608 HydrophobicContact CB-CB 4.44Å; W602-V608 HydrophobicContact CB-CG1 3.96Å; W602-V608 HydrophobicContact CD2-CG1 4.35Å; W602-V608 HydrophobicContact CE3-CG2 4.4Å; W602-V608 HydrophobicContact CG-CG1 4.02Å; C605-V608 HydrophobicContact CB-CB 4.36Å; C605-V608 HydrophobicContact CB-CG2 4.4Å; C605-V608 PolarHBondContact O-N 2.93Å; E606-V608 PolarHBondContact O-N 3.11Å; V608-R611 PolarHBondContact O-N 2.79Å; V608-T612 VanDerWaalsContact O-CB 3.24Å; V608-T612 WeakPolarHBondContact O-CB 3.46Å; V608-T612 PolarHBondContact O-N 3.3Å; V608-T612 PolarHBondContact O-OG1 3.39Å
609I87.4Confident84.5Confident8 Ų846 Ų464%0.04121%0.209CC..Hα-helixtrans-63.1-49.1176.6-66161.3000110.5L599 W602 C605 E606 R611 T612 L613 F649 C663L599-I609 HydrophobicContact CD2-CG2 4.35Å; W602-I609 WeakPolarHBondContact O-CD1 3.41Å; W602-I609 WeakPolarHBondContact O-CG1 3.44Å; C605-I609 WeakPolarHBondContact O-CD1 3.32Å; C605-I609 WeakPolarHBondContact O-CG1 3.43Å; C605-I609 PolarHBondContact O-N 3.45Å; E606-I609 PolarHBondContact O-N 3.17Å; I609-R611 VanDerWaalsContact C-N 3.3Å; I609-R611 PolarHBondContact O-N 3.22Å; I609-T612 PolarHBondContact O-N 2.96Å; I609-L613 HydrophobicContact CG2-CD1 3.59Å; I609-L613 HydrophobicContact CG2-CG 4.14Å; I609-L613 WeakPolarHBondContact O-CB 3.46Å; I609-L613 VanDerWaalsContact O-CG 3.27Å; I609-L613 WeakPolarHBondContact O-CG 3.48Å; I609-L613 PolarHBondContact O-N 3.35Å; I609-F649 HydrophobicContact CD1-CB 3.73Å; I609-F649 HydrophobicContact CD1-CG 4.39Å; I609-F649 HydrophobicContact CG2-CD2 4.27Å; I609-F649 HydrophobicContact CG2-CG 4.24Å; I609-C663 HydrophobicContact CG2-CB 4.02Å
610S87.7Confident84.5Confident55 Ų5546 Ų4639%0.38521%0.209SC..Hα-helixtrans-59.9-41.9-178-176.10000111.4E606 P607 Q614E606-S610 VanDerWaalsContact O-CB 3.32Å; E606-S610 WeakPolarHBondContact O-CB 3.2Å; E606-S610 PolarHBondContact O-N 3.26Å; P607-S610 PolarHBondContact O-N 3.34Å; S610-Q614 WeakPolarHBondContact O-CB 3.2Å; S610-Q614 PolarHBondContact O-N 3.27Å
611R87.3Confident84.5Confident126 Ų12647.3 Ų47.348%0.47522%0.223SC..Hα-helixtrans-71.8-40.2176.9-71.4-63.2-174.5173.41112.6L547 L550 P607 V608 I609 L613 Q614 F615L547-R611 HydrophobicContact CD2-CB 4.2Å; L547-R611 HydrophobicContact CD2-CG 4.02Å; L550-R611 HydrophobicContact CD1-CB 3.96Å; P607-R611 WeakPolarHBondContact O-CB 3.33Å; P607-R611 WeakPolarHBondContact O-CG 3.49Å; P607-R611 PolarHBondContact O-N 2.96Å; V608-R611 PolarHBondContact O-N 2.79Å; I609-R611 VanDerWaalsContact C-N 3.3Å; I609-R611 PolarHBondContact O-N 3.22Å; R611-L613 VanDerWaalsContact C-N 3.33Å; R611-L613 PolarHBondContact O-N 2.78Å; R611-Q614 PolarHBondContact O-N 2.97Å; R611-F615 PolarHBondContact O-N 3.04Å
612T90.9Very high84.3Confident0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-59.7-44.4175.1-59.80000111.1L550 I595 N598 L599 V608 I609 F615 L616L550-T612 WeakPolarHBondContact CD1-OG1 3.3Å; I595-T612 HydrophobicContact CB-CG2 4.19Å; I595-T612 HydrophobicContact CG1-CG2 4.1Å; I595-T612 HydrophobicContact CG2-CG2 3.94Å; N598-T612 HydrophobicContact CB-CG2 3.96Å; N598-T612 PolarHBondContact ND2-OG1 3.35Å; L599-T612 HydrophobicContact CD2-CG2 4.21Å; L599-T612 HydrophobicContact CG-CG2 4.26Å; V608-T612 VanDerWaalsContact O-CB 3.24Å; V608-T612 WeakPolarHBondContact O-CB 3.46Å; V608-T612 PolarHBondContact O-N 3.3Å; V608-T612 PolarHBondContact O-OG1 3.39Å; I609-T612 PolarHBondContact O-N 2.96Å; T612-F615 PolarHBondContact O-N 3.45Å; T612-L616 PolarHBondContact O-N 2.85Å
613L90Very high84.2Confident1 Ų147.8 Ų47.81%0.00523%0.23CC..Hα-helixtrans-71.8-33.5178.8-68.2175.5000112.8L599 I609 R611 F615 L616 N617 F649 C663 T666 F667L599-L613 HydrophobicContact CD1-CD2 4.18Å; L599-L613 HydrophobicContact CD2-CD2 3.8Å; L599-L613 HydrophobicContact CD2-CG 4.06Å; I609-L613 HydrophobicContact CG2-CD1 3.59Å; I609-L613 HydrophobicContact CG2-CG 4.14Å; I609-L613 WeakPolarHBondContact O-CB 3.46Å; I609-L613 VanDerWaalsContact O-CG 3.27Å; I609-L613 WeakPolarHBondContact O-CG 3.48Å; I609-L613 PolarHBondContact O-N 3.35Å; R611-L613 VanDerWaalsContact C-N 3.33Å; R611-L613 PolarHBondContact O-N 2.78Å; L613-F615 VanDerWaalsContact C-N 3.34Å; L613-L616 HydrophobicContact CD2-CD2 4.34Å; L613-L616 PolarHBondContact O-N 3.31Å; L613-N617 VanDerWaalsContact O-CB 3.29Å; L613-N617 WeakPolarHBondContact O-CB 3.47Å; L613-N617 PolarHBondContact O-N 3.14Å; L613-F649 HydrophobicContact CD1-CE2 4.18Å; L613-F649 HydrophobicContact CD1-CZ 4.35Å; L613-C663 HydrophobicContact CD1-CB 3.49Å; L613-C663 VanDerWaalsContact CD1-CB 3.49Å; L613-C663 WeakPolarHBondContact CD1-O 3.3Å; L613-T666 HydrophobicContact CB-CG2 4.09Å; L613-T666 WeakPolarHBondContact O-CG2 3.34Å; L613-F667 HydrophobicContact CD1-CB 4.23Å; L613-F667 HydrophobicContact CD2-CB 3.76Å; L613-F667 HydrophobicContact CD2-CD2 3.58Å; L613-F667 HydrophobicContact CD2-CG 4.13Å
614Q90.2Very high84.6Confident79 Ų7951.8 Ų51.837%0.36925%0.25SS..Hα-helixtrans-61.8-45.2170.9-175.361.538.300110.6S610 R611 N617 D618S610-Q614 WeakPolarHBondContact O-CB 3.2Å; S610-Q614 PolarHBondContact O-N 3.27Å; R611-Q614 PolarHBondContact O-N 2.97Å; Q614-N617 PolarHBondContact O-N 3.13Å; Q614-D618 PolarHBondContact NE2-OD1 3.34Å; Q614-D618 PolarHBondContact O-N 3.3Å
615F90.6Very high85Confident7 Ų741.4 Ų41.43%0.03121%0.212CC..Hα-helixtrans-61.9-44.6176.5-178.7-119.4000112.2L553 D554 R557 F591 I595 R611 T612 L613 N617 D618 L619L553-F615 HydrophobicContact CB-CE1 4.07Å; L553-F615 HydrophobicContact CB-CE2 4.27Å; L553-F615 HydrophobicContact CB-CZ 3.73Å; L553-F615 HydrophobicContact CD1-CE1 4.38Å; D554-F615 HydrophobicContact CB-CD2 3.99Å; D554-F615 HydrophobicContact CB-CE2 4.15Å; R557-F615 HydrophobicContact CB-CE2 4.23Å; F591-F615 HydrophobicContact CB-CE1 4.21Å; F591-F615 HydrophobicContact CD2-CE1 4.21Å; F591-F615 AromaticContact CD2-CZ 3.71Å; F591-F615 HydrophobicContact CD2-CZ 3.71Å; F591-F615 AromaticContact CE2-CZ 3.94Å; F591-F615 HydrophobicContact CE2-CZ 3.94Å; F591-F615 HydrophobicContact CG-CE1 4.2Å; F591-F615 HydrophobicContact CG-CZ 4.07Å; F591-F615 HydrophobicContact CZ-CZ 4.48Å; I595-F615 HydrophobicContact CD1-CD1 3.86Å; I595-F615 HydrophobicContact CD1-CE1 4.12Å; I595-F615 HydrophobicContact CG1-CD1 4.13Å; R611-F615 PolarHBondContact O-N 3.04Å; T612-F615 PolarHBondContact O-N 3.45Å; L613-F615 VanDerWaalsContact C-N 3.34Å; F615-N617 VanDerWaalsContact C-N 3.34Å; F615-N617 PolarHBondContact O-N 3.45Å; F615-D618 PolarHBondContact O-N 3.36Å; F615-L619 HydrophobicContact CD1-CD1 4.03Å; F615-L619 HydrophobicContact CE1-CD1 3.67Å; F615-L619 HydrophobicContact CE2-CD1 4.36Å; F615-L619 HydrophobicContact CE2-CG 4.37Å; F615-L619 HydrophobicContact CZ-CD1 3.86Å; F615-L619 HydrophobicContact CZ-CD2 4.49Å; F615-L619 HydrophobicContact CZ-CG 4.29Å; F615-L619 WeakPolarHBondContact O-CG 3.25Å; F615-L619 PolarHBondContact O-N 2.92Å
616L91.3Very high85.3Confident1 Ų141.7 Ų41.71%0.00521%0.213CC..Hα-helixtrans-59.6-43.7173.1178.763.3000112M592 I595 T612 L613 D618 L619 S620 M638 F667 A670 L674M592-L616 HydrophobicContact CE-CD1 3.92Å; M592-L616 HydrophobicContact SD-CD1 4.07Å; I595-L616 HydrophobicContact CD1-CB 4.19Å; I595-L616 HydrophobicContact CD1-CD1 4.13Å; I595-L616 HydrophobicContact CG2-CB 4.48Å; I595-L616 HydrophobicContact CG2-CD2 4.37Å; T612-L616 PolarHBondContact O-N 2.85Å; L613-L616 HydrophobicContact CD2-CD2 4.34Å; L613-L616 PolarHBondContact O-N 3.31Å; L616-D618 VanDerWaalsContact C-N 3.34Å; L616-D618 PolarHBondContact O-N 3.07Å; L616-L619 PolarHBondContact O-N 3.34Å; L616-S620 PolarHBondContact O-N 3.33Å; L616-M638 HydrophobicContact CD2-CE 3.91Å; L616-F667 HydrophobicContact CD2-CD2 4.43Å; L616-A670 HydrophobicContact CD2-CB 4.05Å; L616-A670 HydrophobicContact CG-CB 3.79Å; L616-L674 HydrophobicContact CD1-CD1 4.48Å
617N89.6Confident85.4Confident26 Ų2642.7 Ų42.714%0.13922%0.216CC..Hα-helixtrans-62.4-42.2176.5173.671.2000111.2L613 Q614 F615 L619 S620 V621 T666 A670 R673L613-N617 VanDerWaalsContact O-CB 3.29Å; L613-N617 WeakPolarHBondContact O-CB 3.47Å; L613-N617 PolarHBondContact O-N 3.14Å; Q614-N617 PolarHBondContact O-N 3.13Å; F615-N617 VanDerWaalsContact C-N 3.34Å; F615-N617 PolarHBondContact O-N 3.45Å; N617-L619 VanDerWaalsContact C-N 3.33Å; N617-L619 PolarHBondContact O-N 3.18Å; N617-S620 PolarHBondContact O-N 3.13Å; N617-S620 VanDerWaalsContact O-N 3.1Å; N617-S620 PolarHBondContact O-OG 2.88Å; N617-V621 WeakPolarHBondContact O-CG2 3.22Å; N617-T666 HydrophobicContact CB-CG2 3.72Å; N617-A670 HydrophobicContact CB-CB 4.48Å; N617-R673 PolarHBondContact OD1-NH1 3.01Å
618D87.7Confident85.5Confident44 Ų4442.5 Ų42.524%0.23521%0.208CC..Hα-helixtrans-68.1-32.7179.4-64.4-16.4000112.3R557 Q614 F615 L616 S620R557-D618 PolarHBondContact NH1-O 3.25Å; Q614-D618 PolarHBondContact NE2-OD1 3.34Å; Q614-D618 PolarHBondContact O-N 3.3Å; F615-D618 PolarHBondContact O-N 3.36Å; L616-D618 VanDerWaalsContact C-N 3.34Å; L616-D618 PolarHBondContact O-N 3.07Å; D618-S620 VanDerWaalsContact C-N 3.33Å
619L86.5Confident85.5Confident0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-65.9-34.5169.7-74.5168.7000112.2R557 L588 F591 I595 F615 L616 N617 V621 L629R557-L619 HydrophobicContact CG-CD2 4.06Å; L588-L619 HydrophobicContact CD2-CD2 4.27Å; F591-L619 HydrophobicContact CD2-CD1 4.45Å; F591-L619 HydrophobicContact CD2-CD2 4.26Å; I595-L619 HydrophobicContact CD1-CD1 3.9Å; F615-L619 HydrophobicContact CD1-CD1 4.03Å; F615-L619 HydrophobicContact CE1-CD1 3.67Å; F615-L619 HydrophobicContact CE2-CD1 4.36Å; F615-L619 HydrophobicContact CE2-CG 4.37Å; F615-L619 HydrophobicContact CZ-CD1 3.86Å; F615-L619 HydrophobicContact CZ-CD2 4.49Å; F615-L619 HydrophobicContact CZ-CG 4.29Å; F615-L619 WeakPolarHBondContact O-CG 3.25Å; F615-L619 PolarHBondContact O-N 2.92Å; L616-L619 PolarHBondContact O-N 3.34Å; N617-L619 VanDerWaalsContact C-N 3.33Å; N617-L619 PolarHBondContact O-N 3.18Å; L619-V621 VanDerWaalsContact C-N 3.29Å; L619-V621 PolarHBondContact O-N 3Å; L619-L629 HydrophobicContact CB-CD1 4.18Å
620S84.6Confident85.3Confident2 Ų242.6 Ų42.61%0.01421%0.209CC..THydrogen-bonded Turntrans-77.1-2.8-176.577.30000115.6L616 N617 D618 L626 R673L616-S620 PolarHBondContact O-N 3.33Å; N617-S620 PolarHBondContact O-N 3.13Å; N617-S620 VanDerWaalsContact O-N 3.1Å; N617-S620 PolarHBondContact O-OG 2.88Å; D618-S620 VanDerWaalsContact C-N 3.33Å; S620-L626 WeakPolarHBondContact O-CD1 3.48Å; S620-R673 WeakPolarHBondContact O-CD 3.48Å; S620-R673 WeakPolarHBondContact OG-CD 3.5Å; S620-R673 PolarHBondContact OG-NH1 2.95Å
621V84.1Confident85.2Confident99 Ų9947.7 Ų47.760%0.622%0.224SC*.THydrogen-bonded Turntrans-84.9-33.1-175.8176.40000112.7N617 L619N617-V621 WeakPolarHBondContact O-CG2 3.22Å; L619-V621 VanDerWaalsContact C-N 3.29Å; L619-V621 PolarHBondContact O-N 3Å
622G79.4Confident85.2Confident18 Ų1842.6 Ų42.619%0.18621%0.207CC..  trans-85.6126.2-175.600000113.2I624 L625 L626G622-I624 PolarHBondContact O-N 3.48Å; G622-L625 PolarHBondContact O-N 3.34Å; G622-L626 WeakPolarHBondContact O-CB 3.3Å; G622-L626 VanDerWaalsContact O-CG 3.3Å; G622-L626 WeakPolarHBondContact O-CG 3.28Å; G622-L626 PolarHBondContact O-N 3.46Å
623Y77.3Confident85Confident144 Ų14447.8 Ų47.857%0.56523%0.234SC*.Hα-helixtrans-63.6-39.2-175.8-179.3-104.9000114L626 K627Y623-L626 PolarHBondContact O-N 3.37Å; Y623-K627 HydrophobicContact CE1-CD 4.07Å; Y623-K627 PolarHBondContact O-N 3.44Å; Y623-K627 WeakPolarHBondContact OH-CE 3.28Å; Y623-K627 PolarHBondContact OH-NZ 3.21Å
624I77.1Confident84.8Confident87 Ų8748.7 Ų48.745%0.44624%0.242SC..Hα-helixtrans-70.3-42.6-179.9-58.4175.5000110.2D563 G622 K627 K628D563-I624 HydrophobicContact CB-CD1 4.13Å; D563-I624 WeakPolarHBondContact OD1-CB 3.5Å; G622-I624 PolarHBondContact O-N 3.48Å; I624-K627 PolarHBondContact O-N 3.38Å; I624-K628 PolarHBondContact O-N 3.37Å
625L79.6Confident84.6Confident16 Ų1644.9 Ų44.98%0.08422%0.224CC..Hα-helixtrans-60-45.7174.2-82.1157.7000111.6V561 L588 G622 K627 K628 L629V561-L625 HydrophobicContact CG1-CD2 3.73Å; L588-L625 HydrophobicContact CD1-CD2 3.99Å; L588-L625 HydrophobicContact CD2-CD2 3.83Å; G622-L625 PolarHBondContact O-N 3.34Å; L625-K627 VanDerWaalsContact C-N 3.34Å; L625-K627 PolarHBondContact O-N 3.26Å; L625-K628 WeakPolarHBondContact O-CB 3.36Å; L625-K628 PolarHBondContact O-N 2.69Å; L625-L629 WeakPolarHBondContact O-CB 3.37Å; L625-L629 VanDerWaalsContact O-CG 3.29Å; L625-L629 WeakPolarHBondContact O-CG 3.42Å; L625-L629 PolarHBondContact O-N 3.21Å
626L82.1Confident84.4Confident16 Ų1648.8 Ų48.88%0.08424%0.241CC..Hα-helixtrans-54.2-47.1175.8-80.9175.5000112.3S620 G622 Y623 K628 L629 V630 R673 L674 V677S620-L626 WeakPolarHBondContact O-CD1 3.48Å; G622-L626 WeakPolarHBondContact O-CB 3.3Å; G622-L626 VanDerWaalsContact O-CG 3.3Å; G622-L626 WeakPolarHBondContact O-CG 3.28Å; G622-L626 PolarHBondContact O-N 3.46Å; Y623-L626 PolarHBondContact O-N 3.37Å; L626-K628 VanDerWaalsContact C-N 3.26Å; L626-K628 PolarHBondContact O-N 3.03Å; L626-L629 PolarHBondContact O-N 3.2Å; L626-V630 WeakPolarHBondContact O-CG2 3.45Å; L626-V630 PolarHBondContact O-N 3.26Å; L626-V630 VanDerWaalsContact O-N 3.08Å; L626-R673 HydrophobicContact CD2-CB 4.46Å; L626-L674 HydrophobicContact CD2-CD2 3.52Å; L626-L674 HydrophobicContact CD2-CG 4.05Å; L626-V677 HydrophobicContact CB-CG2 3.76Å; L626-V677 HydrophobicContact CD1-CG2 4.36Å; L626-V677 HydrophobicContact CD2-CG2 4.47Å; L626-V677 HydrophobicContact CG-CG2 4.45Å
627K82.4Confident84.3Confident100 Ų10051.7 Ų51.744%0.43525%0.253SS..Hα-helixtrans-60.6-32.5176.6-80.2-171.8170.3176.30114.2Y623 I624 L625 V677Y623-K627 HydrophobicContact CE1-CD 4.07Å; Y623-K627 PolarHBondContact O-N 3.44Å; Y623-K627 WeakPolarHBondContact OH-CE 3.28Å; Y623-K627 PolarHBondContact OH-NZ 3.21Å; I624-K627 PolarHBondContact O-N 3.38Å; L625-K627 VanDerWaalsContact C-N 3.34Å; L625-K627 PolarHBondContact O-N 3.26Å; K627-V677 HydrophobicContact CG-CG1 3.88Å
628K83.8Confident84.2Confident64 Ų6450.4 Ų50.428%0.27825%0.247SC..Hα-helixtrans-75.1-43.9174.8-68.5179.2172.7-172.70110.5D584 N585 L588 I624 L625 L626 V630 K631D584-K628 IonicContact OD2-NZ 3.19Å; D584-K628 PolarHBondContact OD2-NZ 2.99Å; D584-K628 VanDerWaalsContact OD2-NZ 3.13Å; N585-K628 WeakPolarHBondContact OD1-CD 3.36Å; L588-K628 HydrophobicContact CD1-CB 3.84Å; L588-K628 HydrophobicContact CD1-CD 4.07Å; I624-K628 PolarHBondContact O-N 3.37Å; L625-K628 WeakPolarHBondContact O-CB 3.36Å; L625-K628 PolarHBondContact O-N 2.69Å; L626-K628 VanDerWaalsContact C-N 3.26Å; L626-K628 PolarHBondContact O-N 3.03Å; K628-V630 PolarHBondContact O-N 2.99Å; K628-K631 PolarHBondContact O-N 3.4Å
629L85.2Confident84.1Confident1 Ų149.3 Ų49.31%0.00524%0.241CC..Hα-helixtrans-61.3-42.1-177.1-73.9172.1000113.2L588 M592 L619 L625 L626 K631 I632 V635 L674L588-L629 HydrophobicContact CB-CD2 4.16Å; L588-L629 HydrophobicContact CD2-CD2 4.05Å; L588-L629 HydrophobicContact CG-CD2 4.47Å; M592-L629 HydrophobicContact CG-CD2 3.74Å; M592-L629 HydrophobicContact SD-CD2 3.9Å; L619-L629 HydrophobicContact CB-CD1 4.18Å; L625-L629 WeakPolarHBondContact O-CB 3.37Å; L625-L629 VanDerWaalsContact O-CG 3.29Å; L625-L629 WeakPolarHBondContact O-CG 3.42Å; L625-L629 PolarHBondContact O-N 3.21Å; L626-L629 PolarHBondContact O-N 3.2Å; L629-K631 PolarHBondContact O-N 2.9Å; L629-I632 HydrophobicContact CD2-CD1 3.91Å; L629-I632 VanDerWaalsContact O-CB 3.26Å; L629-I632 WeakPolarHBondContact O-CB 3.41Å; L629-I632 WeakPolarHBondContact O-CG1 3.13Å; L629-I632 PolarHBondContact O-N 3.21Å; L629-V635 HydrophobicContact CB-CG2 4.43Å; L629-V635 WeakPolarHBondContact O-CB 3.44Å; L629-V635 VanDerWaalsContact O-CG2 3.29Å; L629-V635 WeakPolarHBondContact O-CG2 3.42Å; L629-L674 HydrophobicContact CB-CD2 3.78Å; L629-L674 HydrophobicContact CD1-CD2 4.12Å
630V84.5Confident84.1Confident9 Ų957.4 Ų57.46%0.05528%0.276CS..THydrogen-bonded Turntrans-64.7-23.9-176176.60000113L626 K628 I632 L674 V677 D678L626-V630 WeakPolarHBondContact O-CG2 3.45Å; L626-V630 PolarHBondContact O-N 3.26Å; L626-V630 VanDerWaalsContact O-N 3.08Å; K628-V630 PolarHBondContact O-N 2.99Å; V630-I632 VanDerWaalsContact C-N 3.25Å; V630-I632 PolarHBondContact O-N 3.31Å; V630-L674 HydrophobicContact CG2-CB 4.33Å; V630-L674 HydrophobicContact CG2-CD2 4.09Å; V630-L674 VanDerWaalsContact CG2-O 3.27Å; V630-L674 WeakPolarHBondContact CG2-O 3.18Å; V630-V677 HydrophobicContact CG2-CB 3.93Å; V630-V677 HydrophobicContact CG2-CG1 4.33Å; V630-V677 HydrophobicContact CG2-CG2 3.91Å; V630-D678 WeakPolarHBondContact CG1-OD2 3.42Å
631K85.8Confident84.1Confident161 Ų16159.7 Ų59.770%0.729%0.288SS*.THydrogen-bonded Turntrans-71.7-20.4175.8-62.7-177.5-178.9-176.30113.2K628 L629 K636K628-K631 PolarHBondContact O-N 3.4Å; L629-K631 PolarHBondContact O-N 2.9Å; K631-K636 WeakPolarHBondContact O-CE 3.37Å; K631-K636 PolarHBondContact O-NZ 3.43Å
632I87.2Confident84.2Confident20 Ų2055 Ų5510%0.10326%0.26CS..SBendtrans-75.2133.6-175.4-55.4174.5000110L588 E589 M592 L629 V630 A634 V635 K636L588-I632 HydrophobicContact CB-CD1 3.76Å; E589-I632 HydrophobicContact CB-CG2 4.26Å; E589-I632 HydrophobicContact CG-CG2 4.13Å; M592-I632 HydrophobicContact CB-CG2 4.37Å; M592-I632 HydrophobicContact CG-CD1 4.11Å; L629-I632 HydrophobicContact CD2-CD1 3.91Å; L629-I632 VanDerWaalsContact O-CB 3.26Å; L629-I632 WeakPolarHBondContact O-CB 3.41Å; L629-I632 WeakPolarHBondContact O-CG1 3.13Å; L629-I632 PolarHBondContact O-N 3.21Å; V630-I632 VanDerWaalsContact C-N 3.25Å; V630-I632 PolarHBondContact O-N 3.31Å; I632-A634 VanDerWaalsContact C-N 3.29Å; I632-A634 HydrophobicContact CG2-CB 4.06Å; I632-A634 PolarHBondContact O-N 3.36Å; I632-V635 HydrophobicContact CB-CG2 4.41Å; I632-V635 PolarHBondContact O-N 2.91Å; I632-K636 PolarHBondContact O-N 3.25Å
633D86Confident84.5Confident109 Ų10956.2 Ų56.258%0.58326%0.263SS*.Hα-helixtrans-66.5-30.1-175.8-67.3-28.2000113.3V635 K636 F637D633-V635 VanDerWaalsContact C-N 3.31Å; D633-V635 PolarHBondContact O-N 2.77Å; D633-K636 PolarHBondContact O-N 3.06Å; D633-K636 IonicContact OD1-NZ 3.14Å; D633-K636 PolarHBondContact OD1-NZ 3.15Å; D633-F637 WeakPolarHBondContact O-CB 3.49Å; D633-F637 PolarHBondContact O-N 3.25Å
634A86.1Confident84.6Confident19 Ų1952.5 Ų52.516%0.15726%0.258CS..Hα-helixtrans-59.2-39.4171.200000112.5M592 V596 I632 F637 M638M592-A634 HydrophobicContact CB-CB 3.93Å; V596-A634 HydrophobicContact CG2-CB 4.32Å; I632-A634 VanDerWaalsContact C-N 3.29Å; I632-A634 HydrophobicContact CG2-CB 4.06Å; I632-A634 PolarHBondContact O-N 3.36Å; A634-F637 WeakPolarHBondContact O-CB 3.29Å; A634-F637 PolarHBondContact O-N 3.02Å; A634-M638 VanDerWaalsContact O-CG 3.32Å; A634-M638 WeakPolarHBondContact O-CG 2.97Å; A634-M638 PolarHBondContact O-N 3.25Å
635V86.6Confident84.7Confident0 Ų056.3 Ų56.30%027%0.274CS..Hα-helixtrans-69.7-45.2176.7171.80000110.6M592 L629 I632 D633 F637 M638 L639 L674M592-V635 HydrophobicContact CE-CG2 3.57Å; M592-V635 HydrophobicContact CG-CG2 3.9Å; M592-V635 HydrophobicContact SD-CG2 3.96Å; L629-V635 HydrophobicContact CB-CG2 4.43Å; L629-V635 WeakPolarHBondContact O-CB 3.44Å; L629-V635 VanDerWaalsContact O-CG2 3.29Å; L629-V635 WeakPolarHBondContact O-CG2 3.42Å; I632-V635 HydrophobicContact CB-CG2 4.41Å; I632-V635 PolarHBondContact O-N 2.91Å; D633-V635 VanDerWaalsContact C-N 3.31Å; D633-V635 PolarHBondContact O-N 2.77Å; V635-F637 PolarHBondContact O-N 3.22Å; V635-M638 PolarHBondContact O-N 3.4Å; V635-M638 VanDerWaalsContact O-N 3.07Å; V635-L639 HydrophobicContact CG1-CD1 4.13Å; V635-L639 HydrophobicContact CG1-CG 4.41Å; V635-L639 WeakPolarHBondContact O-CG 3.38Å; V635-L639 PolarHBondContact O-N 2.68Å; V635-L674 HydrophobicContact CG1-CB 4.29Å; V635-L674 HydrophobicContact CG1-CD1 4.04Å; V635-L674 HydrophobicContact CG1-CD2 4.25Å; V635-L674 HydrophobicContact CG1-CG 4.43Å
636K86.7Confident84.8Confident88 Ų8858.4 Ų58.438%0.38328%0.283SS..Hα-helixtrans-58.7-38.6174.9-63.4175.7-164.6148.70111.9K631 I632 D633 K640K631-K636 WeakPolarHBondContact O-CE 3.37Å; K631-K636 PolarHBondContact O-NZ 3.43Å; I632-K636 PolarHBondContact O-N 3.25Å; D633-K636 PolarHBondContact O-N 3.06Å; D633-K636 IonicContact OD1-NZ 3.14Å; D633-K636 PolarHBondContact OD1-NZ 3.15Å; K636-K640 WeakPolarHBondContact O-CG 3.48Å; K636-K640 PolarHBondContact O-N 3.14Å
637F87.8Confident84.9Confident62 Ų6257.6 Ų57.627%0.27228%0.279SS..Hα-helixtrans-61.2-47.7173.4175.3-90.3000111.1D633 A634 V635 L639 K640 N641D633-F637 WeakPolarHBondContact O-CB 3.49Å; D633-F637 PolarHBondContact O-N 3.25Å; A634-F637 WeakPolarHBondContact O-CB 3.29Å; A634-F637 PolarHBondContact O-N 3.02Å; V635-F637 PolarHBondContact O-N 3.22Å; F637-L639 PolarHBondContact O-N 2.61Å; F637-K640 PolarHBondContact O-N 2.75Å; F637-N641 VanDerWaalsContact CD2-ND2 3.33Å; F637-N641 WeakPolarHBondContact CD2-ND2 3.46Å; F637-N641 HydrophobicContact CE1-CB 4.21Å; F637-N641 HydrophobicContact CE2-CB 4.15Å; F637-N641 VanDerWaalsContact CE2-ND2 3.27Å; F637-N641 WeakPolarHBondContact CE2-ND2 3.44Å; F637-N641 HydrophobicContact CZ-CB 3.96Å; F637-N641 VanDerWaalsContact O-CB 3.28Å; F637-N641 WeakPolarHBondContact O-CB 3.45Å; F637-N641 PolarHBondContact O-N 3.04Å; F637-N641 PolarHBondContact O-ND2 2.85Å
638M87.8Confident84.9Confident0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-63.8-38.9179.2-68175.572.600112.8M592 I595 V596 L599 L616 A634 V635 K640 H642 F647 F667 L671M592-M638 HydrophobicContact CE-SD 3.57Å; M592-M638 VanDerWaalsContact CE-SD 3.57Å; I595-M638 HydrophobicContact CG2-CE 4.42Å; V596-M638 HydrophobicContact CG2-CG 3.7Å; V596-M638 HydrophobicContact CG2-SD 3.55Å; V596-M638 VanDerWaalsContact CG2-SD 3.55Å; L599-M638 HydrophobicContact CD1-CE 3.94Å; L616-M638 HydrophobicContact CD2-CE 3.91Å; A634-M638 VanDerWaalsContact O-CG 3.32Å; A634-M638 WeakPolarHBondContact O-CG 2.97Å; A634-M638 PolarHBondContact O-N 3.25Å; V635-M638 PolarHBondContact O-N 3.4Å; V635-M638 VanDerWaalsContact O-N 3.07Å; M638-K640 VanDerWaalsContact C-N 3.34Å; M638-K640 PolarHBondContact O-N 2.77Å; M638-H642 WeakPolarHBondContact O-CB 3.42Å; M638-F647 HydrophobicContact CG-CZ 4.03Å; M638-F667 HydrophobicContact CE-CE2 3.68Å; M638-F667 HydrophobicContact CE-CZ 4.48Å; M638-L671 HydrophobicContact CB-CD2 3.9Å; M638-L671 HydrophobicContact CE-CD2 4.08Å
639L86.1Confident84.7Confident20 Ų2052.7 Ų52.711%0.10526%0.263CS..Hα-helixtrans-62.4-41.3177.4-71.9172000111.5V635 F637 H642 L671 L675 F689V635-L639 HydrophobicContact CG1-CD1 4.13Å; V635-L639 HydrophobicContact CG1-CG 4.41Å; V635-L639 WeakPolarHBondContact O-CG 3.38Å; V635-L639 PolarHBondContact O-N 2.68Å; F637-L639 PolarHBondContact O-N 2.61Å; L639-H642 PolarHBondContact O-CE1 2.77Å; L639-H642 PolarHBondContact O-ND1 3.39Å; L639-L671 HydrophobicContact CD2-CD2 4.4Å; L639-L675 HydrophobicContact CD2-CB 4.01Å; L639-L675 HydrophobicContact CD2-CD1 4.46Å; L639-F689 HydrophobicContact CD2-CE2 4.2Å
640K86.4Confident84.4Confident170 Ų17053.1 Ų53.174%0.73927%0.265SS*.Hα-helixtrans-78.7-32.9179.3-67.3-179178.8-175.20113.9K636 F637 M638K636-K640 WeakPolarHBondContact O-CG 3.48Å; K636-K640 PolarHBondContact O-N 3.14Å; F637-K640 PolarHBondContact O-N 2.75Å; M638-K640 VanDerWaalsContact C-N 3.34Å; M638-K640 PolarHBondContact O-N 2.77Å
641N85.1Confident84Confident50 Ų5053.3 Ų53.327%0.26727%0.269SS..  trans-124.666.8-166-64.4-50.9000111.9F637 H646 F647F637-N641 VanDerWaalsContact CD2-ND2 3.33Å; F637-N641 WeakPolarHBondContact CD2-ND2 3.46Å; F637-N641 HydrophobicContact CE1-CB 4.21Å; F637-N641 HydrophobicContact CE2-CB 4.15Å; F637-N641 VanDerWaalsContact CE2-ND2 3.27Å; F637-N641 WeakPolarHBondContact CE2-ND2 3.44Å; F637-N641 HydrophobicContact CZ-CB 3.96Å; F637-N641 VanDerWaalsContact O-CB 3.28Å; F637-N641 WeakPolarHBondContact O-CB 3.45Å; F637-N641 PolarHBondContact O-N 3.04Å; F637-N641 PolarHBondContact O-ND2 2.85Å; N641-H646 VanDerWaalsContact CB-CD2 3.49Å; N641-H646 WeakPolarHBondContact CB-CD2 3.25Å; N641-F647 WeakPolarHBondContact O-CE2 3.2Å
642H85.9Confident82.9Confident2 Ų249 Ų491%0.00925%0.252CS..  trans-109.340.6-176.358.3-92.8000113.6M638 L639 L650 F667 Y668 L671 F689M638-H642 WeakPolarHBondContact O-CB 3.42Å; L639-H642 PolarHBondContact O-CE1 2.77Å; L639-H642 PolarHBondContact O-ND1 3.39Å; H642-L650 WeakPolarHBondContact O-CD1 3.1Å; H642-F667 HydrophobicContact CB-CE1 4.11Å; H642-F667 HydrophobicContact CB-CZ 4.28Å; H642-Y668 AromaticContact CD2-CE1 3.77Å; H642-Y668 AromaticContact CD2-CZ 3.98Å; H642-Y668 PolarHBondContact CD2-OH 3.16Å; H642-L671 HydrophobicContact CB-CD1 4.07Å; H642-F689 AromaticContact CE1-CD2 3.61Å; H642-F689 AromaticContact CE1-CE2 3.72Å; H642-F689 PolarHBondContact CE1-O 3.28Å; H642-F689 AromaticContact ND1-CE2 3.85Å; H642-F689 PolarHBondContact NE2-O 3.25Å; H642-F689 VanDerWaalsContact NE2-O 3.14Å
643T84.4Confident81.8Confident43 Ų4350 Ų5026%0.26426%0.262SS..SBendtrans-10517017967.40000112.2E645 H646 F647 P692T643-E645 PolarHBondContact O-N 3.26Å; T643-E645 PolarHBondContact OG1-N 3.36Å; T643-H646 PolarHBondContact O-N 3.4Å; T643-H646 VanDerWaalsContact O-N 3.14Å; T643-F647 PolarHBondContact O-N 2.78Å; T643-P692 HydrophobicContact CG2-CB 3.95Å; T643-P692 HydrophobicContact CG2-CG 4.15Å
644S79.9Confident80.2Confident65 Ų6551 Ų5146%0.45527%0.267SS..THydrogen-bonded Turntrans-63.6-16.6175.754.70000114.5H646 F647S644-H646 VanDerWaalsContact C-N 3.31Å; S644-F647 WeakPolarHBondContact CA-O 3.4Å
645E79.8Confident78.7Confident168 Ų16855 Ų5579%0.78529%0.294SS*.THydrogen-bonded Turntrans-69.5-32.4174.8-61.6-175.2164.900111.8T643T643-E645 PolarHBondContact O-N 3.26Å; T643-E645 PolarHBondContact OG1-N 3.36Å
646H82.3Confident77.4Confident59 Ų5956.7 Ų56.727%0.27330%0.3SS..THydrogen-bonded Turntrans-99.7-31.6-179.7-59.7-62.3000112.4K600 N641 T643 S644K600-H646 WeakPolarHBondContact CG-O 3.46Å; N641-H646 VanDerWaalsContact CB-CD2 3.49Å; N641-H646 WeakPolarHBondContact CB-CD2 3.25Å; T643-H646 PolarHBondContact O-N 3.4Å; T643-H646 VanDerWaalsContact O-N 3.14Å; S644-H646 VanDerWaalsContact C-N 3.31Å
647F84.1Confident76.1Confident0 Ų055.3 Ų55.30%030%0.302CS..  trans-127.297.7-178.4-60.4-56.4000110.5L599 K600 M638 N641 T643 S644 F649 L650 F667L599-F647 HydrophobicContact CB-CD1 3.53Å; L599-F647 HydrophobicContact CB-CE1 3.75Å; L599-F647 HydrophobicContact CD1-CE1 4.34Å; K600-F647 HydrophobicContact CG-CD1 4.42Å; K600-F647 HydrophobicContact CG-CE1 4.26Å; M638-F647 HydrophobicContact CG-CZ 4.03Å; N641-F647 WeakPolarHBondContact O-CE2 3.2Å; T643-F647 PolarHBondContact O-N 2.78Å; S644-F647 WeakPolarHBondContact CA-O 3.4Å; F647-F649 HydrophobicContact CB-CD1 3.95Å; F647-F649 HydrophobicContact CB-CE1 3.7Å; F647-F649 HydrophobicContact CG-CE1 4.23Å; F647-F649 PolarHBondContact O-N 3.03Å; F647-L650 HydrophobicContact CB-CD1 3.86Å; F647-L650 HydrophobicContact CB-CG 4.03Å; F647-L650 HydrophobicContact CD2-CD1 4.19Å; F647-L650 WeakPolarHBondContact O-CB 3.47Å; F647-L650 PolarHBondContact O-N 3.15Å; F647-F667 AromaticContact CD2-CZ 3.83Å; F647-F667 HydrophobicContact CD2-CZ 3.83Å; F647-F667 AromaticContact CE2-CZ 3.87Å; F647-F667 HydrophobicContact CE2-CZ 3.87Å
648P80.7Confident74.8Confident50 Ų5056.5 Ų56.533%0.32531%0.311SS..G310 helixtrans-58.3-29-171.7-25.833.6000114.5L650 G651 Y656P648-L650 PolarHBondContact O-N 3.29Å; P648-G651 PolarHBondContact O-N 3.04Å; P648-Y656 PolarHBondContact O-OH 3.32Å
649F80.1Confident73.4Confident11 Ų1158.3 Ų58.35%0.04832%0.324CS..G310 helixtrans-66.8-13.6179.182.6-88.5000114.3L599 I609 L613 F647 G651 C663 R664 F667L599-F649 HydrophobicContact CB-CE1 4.31Å; L599-F649 HydrophobicContact CD2-CD1 4.31Å; L599-F649 HydrophobicContact CD2-CE1 3.8Å; L599-F649 HydrophobicContact CD2-CZ 4.37Å; L599-F649 HydrophobicContact CG-CE1 4.43Å; I609-F649 HydrophobicContact CD1-CB 3.73Å; I609-F649 HydrophobicContact CD1-CG 4.39Å; I609-F649 HydrophobicContact CG2-CD2 4.27Å; I609-F649 HydrophobicContact CG2-CG 4.24Å; L613-F649 HydrophobicContact CD1-CE2 4.18Å; L613-F649 HydrophobicContact CD1-CZ 4.35Å; F647-F649 HydrophobicContact CB-CD1 3.95Å; F647-F649 HydrophobicContact CB-CE1 3.7Å; F647-F649 HydrophobicContact CG-CE1 4.23Å; F647-F649 PolarHBondContact O-N 3.03Å; F649-G651 VanDerWaalsContact C-N 3.31Å; F649-C663 HydrophobicContact CD2-CB 4.42Å; F649-C663 HydrophobicContact CE2-CB 4.47Å; F649-R664 HydrophobicContact CE2-CG 4.44Å; F649-F667 HydrophobicContact CE2-CB 4.38Å; F649-F667 HydrophobicContact CE2-CG 4.47Å; F649-F667 HydrophobicContact CZ-CB 4.14Å; F649-F667 HydrophobicContact CZ-CD1 4.08Å; F649-F667 HydrophobicContact CZ-CD2 4.01Å; F649-F667 HydrophobicContact CZ-CE1 4.43Å; F649-F667 HydrophobicContact CZ-CE2 4.36Å; F649-F667 AromaticContact CZ-CG 3.83Å; F649-F667 HydrophobicContact CZ-CG 3.83Å
650L79.6Confident72.4Confident10 Ų1058.7 Ų58.75%0.05233%0.325CS..G310 helixtrans-81.8-11.5173.4-60.5179.5000112.6H642 F647 P648 R664 F667 Y668H642-L650 WeakPolarHBondContact O-CD1 3.1Å; F647-L650 HydrophobicContact CB-CD1 3.86Å; F647-L650 HydrophobicContact CB-CG 4.03Å; F647-L650 HydrophobicContact CD2-CD1 4.19Å; F647-L650 WeakPolarHBondContact O-CB 3.47Å; F647-L650 PolarHBondContact O-N 3.15Å; P648-L650 PolarHBondContact O-N 3.29Å; L650-R664 HydrophobicContact CD2-CG 3.82Å; L650-R664 PolarHBondContact O-NH1 3.33Å; L650-F667 HydrophobicContact CD1-CE1 3.92Å; L650-F667 HydrophobicContact CD2-CD1 4.15Å; L650-F667 HydrophobicContact CD2-CE1 4.34Å; L650-Y668 HydrophobicContact CD2-CE2 4.4Å
651G75.1Confident71.8Confident12 Ų1250.7 Ų50.712%0.12429%0.291CS..SBendtrans-68160.1-177.900000114.6P648 F649P648-G651 PolarHBondContact O-N 3.04Å; F649-G651 VanDerWaalsContact C-N 3.31Å
652I64Low71.5Confident70 Ų7056 Ų5636%0.35931%0.307SS..  trans-110.965.9179.8-54.6136.6000108.1R715 M716I652-R715 HydrophobicContact CG2-CB 3.61Å; I652-M716 HydrophobicContact CD1-CB 4.5Å; I652-M716 HydrophobicContact CD1-CG 3.43Å; I652-M716 VanDerWaalsContact CD1-CG 3.43Å; I652-M716 HydrophobicContact CD1-SD 4.42Å; I652-M716 HydrophobicContact CG1-CG 4.21Å; I652-M716 HydrophobicContact CG2-CG 4.47Å
653S62.6Low71.3Confident43 Ų4356.3 Ų56.330%0.30131%0.31SS..  trans-102.9149.1176.276.20000111.2S655 Y656S653-S655 PolarHBondContact O-N 2.89Å; S653-S655 VanDerWaalsContact O-N 3.12Å; S653-S655 PolarHBondContact OG-OG 3.21Å; S653-Y656 PolarHBondContact O-N 3.04Å; S653-Y656 VanDerWaalsContact O-N 3.17Å; S653-Y656 WeakPolarHBondContact OG-CD2 2.94Å; S653-Y656 WeakPolarHBondContact OG-CE2 3.34Å
654D53.8Low71.5Confident128 Ų12855.1 Ų55.168%0.68430%0.3SS*.THydrogen-bonded Turntrans-59.1-20.2178.7-81.4-49000114Y656 R715D654-Y656 VanDerWaalsContact C-N 3.34Å; D654-R715 IonicContact OD1-CZ 3.35Å; D654-R715 IonicContact OD1-NH1 2.84Å; D654-R715 PolarHBondContact OD1-NH1 3.25Å; D654-R715 IonicContact OD1-NH2 3.12Å; D654-R715 PolarHBondContact OD1-NH2 3.2Å
655S53.7Low71.9Confident104 Ų10452.8 Ų52.873%0.72728%0.283SS*.THydrogen-bonded Turntrans-79-10.9179.149.10000114.7S653S653-S655 PolarHBondContact O-N 2.89Å; S653-S655 VanDerWaalsContact O-N 3.12Å; S653-S655 PolarHBondContact OG-OG 3.21Å
656Y60Low72.4Confident35 Ų3546.8 Ų46.814%0.13726%0.258CS..SBendtrans-90.4132.3178.8-69.5-61.2000111.7G603 P648 S653 D654G603-Y656 VanDerWaalsContact O-CE1 3.26Å; G603-Y656 WeakPolarHBondContact O-CE1 3.26Å; G603-Y656 PolarHBondContact O-OH 2.7Å; P648-Y656 PolarHBondContact O-OH 3.32Å; S653-Y656 PolarHBondContact O-N 3.04Å; S653-Y656 VanDerWaalsContact O-N 3.17Å; S653-Y656 WeakPolarHBondContact OG-CD2 2.94Å; S653-Y656 WeakPolarHBondContact OG-CE2 3.34Å; D654-Y656 VanDerWaalsContact C-N 3.34Å
657S58.9Low72.8Confident59 Ų5944 Ų4441%0.41325%0.245SC..  trans-73.8147.7173.932.40000111.4S659 D660S657-S659 VanDerWaalsContact CB-OG 3.28Å; S657-S659 WeakPolarHBondContact CB-OG 3.33Å; S657-S659 PolarHBondContact O-N 2.75Å; S657-S659 PolarHBondContact OG-OG 3.22Å; S657-S659 VanDerWaalsContact OG-OG 3.1Å; S657-D660 PolarHBondContact N-OD2 3.37Å; S657-D660 VanDerWaalsContact O-CB 3.31Å; S657-D660 WeakPolarHBondContact O-CB 3.48Å; S657-D660 VanDerWaalsContact O-CG 3.28Å; S657-D660 PolarHBondContact O-N 3.43Å; S657-D660 VanDerWaalsContact OG-CG 3.24Å; S657-D660 PolarHBondContact OG-OD1 3.24Å; S657-D660 PolarHBondContact OG-OD2 2.94Å
658L61Low73.1Confident87 Ų8744.3 Ų44.346%0.45525%0.246SC..THydrogen-bonded Turntrans-60.9-16.2176.6-66.3172.7000113.2F661 R715 I718 A764L658-F661 HydrophobicContact CD2-CD2 4.03Å; L658-F661 HydrophobicContact CD2-CE2 3.87Å; L658-R715 HydrophobicContact CD2-CG 4.43Å; L658-I718 HydrophobicContact CD2-CD1 4.09Å; L658-A764 HydrophobicContact CD1-CB 4.09Å
659S58.5Low73.6Confident39 Ų3942.4 Ų42.427%0.27323%0.234SC..THydrogen-bonded Turntrans-65.8-37.217037.50000112.6S657 F661 R662S657-S659 VanDerWaalsContact CB-OG 3.28Å; S657-S659 WeakPolarHBondContact CB-OG 3.33Å; S657-S659 PolarHBondContact O-N 2.75Å; S657-S659 PolarHBondContact OG-OG 3.22Å; S657-S659 VanDerWaalsContact OG-OG 3.1Å; S659-F661 PolarHBondContact O-N 3.5Å; S659-R662 VanDerWaalsContact O-CB 3.26Å; S659-R662 WeakPolarHBondContact O-CB 3.35Å; S659-R662 WeakPolarHBondContact O-CG 3.24Å; S659-R662 PolarHBondContact O-N 3.31Å
660D64Low74Confident27 Ų2741.9 Ų41.914%0.14423%0.231CC..THydrogen-bonded Turntrans-66.2-28.1-172.3-50.4-4.9000110.7S657 R662 C663S657-D660 PolarHBondContact N-OD2 3.37Å; S657-D660 VanDerWaalsContact O-CB 3.31Å; S657-D660 WeakPolarHBondContact O-CB 3.48Å; S657-D660 VanDerWaalsContact O-CG 3.28Å; S657-D660 PolarHBondContact O-N 3.43Å; S657-D660 VanDerWaalsContact OG-CG 3.24Å; S657-D660 PolarHBondContact OG-OD1 3.24Å; S657-D660 PolarHBondContact OG-OD2 2.94Å; D660-R662 PolarHBondContact O-N 3.47Å; D660-C663 VanDerWaalsContact O-CB 3.23Å; D660-C663 WeakPolarHBondContact O-CB 3.45Å; D660-C663 PolarHBondContact O-N 2.9Å
661F74.6Confident74.6Confident3 Ų341.4 Ų41.41%0.01323%0.229CC..Hα-helixtrans-63.4-9.2172.8-65.5-47000114.2L658 S659 C663 R664 R715 I718L658-F661 HydrophobicContact CD2-CD2 4.03Å; L658-F661 HydrophobicContact CD2-CE2 3.87Å; S659-F661 PolarHBondContact O-N 3.5Å; F661-C663 VanDerWaalsContact C-N 3.34Å; F661-R664 VanDerWaalsContact CD1-CD 3.49Å; F661-R664 WeakPolarHBondContact O-CB 3.22Å; F661-R715 HydrophobicContact CE2-CB 4.39Å; F661-R715 HydrophobicContact CE2-CG 4.47Å; F661-R715 HydrophobicContact CZ-CB 4.37Å; F661-I718 HydrophobicContact CB-CG2 4.34Å; F661-I718 HydrophobicContact CD2-CG2 3.87Å; F661-I718 HydrophobicContact CG-CG2 4.33Å
662R78.6Confident75.3Confident161 Ų16140.9 Ų40.961%0.60822%0.223SC*.Hα-helixtrans-67.8-35.9169.9-66.9175.8-169.8-178.57.7111.8S659 D660 R664 T665S659-R662 VanDerWaalsContact O-CB 3.26Å; S659-R662 WeakPolarHBondContact O-CB 3.35Å; S659-R662 WeakPolarHBondContact O-CG 3.24Å; S659-R662 PolarHBondContact O-N 3.31Å; D660-R662 PolarHBondContact O-N 3.47Å; R662-R664 PolarHBondContact O-N 2.65Å; R662-T665 PolarHBondContact O-N 3.36Å; R662-T665 VanDerWaalsContact O-N 3.15Å
663C82.9Confident76.5Confident9 Ų939.7 Ų39.76%0.06121%0.214CC..Hα-helixtrans-56.8-37.4177.7-690000111.5I609 L613 F649 D660 F661 T665 T666 F667I609-C663 HydrophobicContact CG2-CB 4.02Å; L613-C663 HydrophobicContact CD1-CB 3.49Å; L613-C663 VanDerWaalsContact CD1-CB 3.49Å; L613-C663 WeakPolarHBondContact CD1-O 3.3Å; F649-C663 HydrophobicContact CD2-CB 4.42Å; F649-C663 HydrophobicContact CE2-CB 4.47Å; D660-C663 VanDerWaalsContact O-CB 3.23Å; D660-C663 WeakPolarHBondContact O-CB 3.45Å; D660-C663 PolarHBondContact O-N 2.9Å; F661-C663 VanDerWaalsContact C-N 3.34Å; C663-T665 PolarHBondContact O-N 3Å; C663-T666 PolarHBondContact O-N 3.48Å; C663-T666 VanDerWaalsContact O-N 3.15Å; C663-F667 PolarHBondContact O-N 3.35Å
664R87.7Confident77.6Confident17 Ų1737.8 Ų37.86%0.06420%0.201CC..Hα-helixtrans-55.5-44175.9-69.6176.171.1149.94.9113.7F649 L650 F661 R662 T666 F667 Y668 R722 D723F649-R664 HydrophobicContact CE2-CG 4.44Å; L650-R664 HydrophobicContact CD2-CG 3.82Å; L650-R664 PolarHBondContact O-NH1 3.33Å; F661-R664 VanDerWaalsContact CD1-CD 3.49Å; F661-R664 WeakPolarHBondContact O-CB 3.22Å; R662-R664 PolarHBondContact O-N 2.65Å; R664-T666 VanDerWaalsContact C-N 3.34Å; R664-T666 PolarHBondContact O-N 3.22Å; R664-F667 PolarHBondContact O-N 2.9Å; R664-Y668 WeakPolarHBondContact O-CD2 3.35Å; R664-Y668 PolarHBondContact O-N 2.94Å; R664-R722 HydrophobicContact CB-CB 4.38Å; R664-D723 WeakPolarHBondContact CB-OD1 3.45Å; R664-D723 IonicContact CZ-OD1 2.61Å; R664-D723 IonicContact CZ-OD2 3.34Å; R664-D723 IonicContact NE-OD1 2.77Å; R664-D723 PolarHBondContact NE-OD1 3.33Å; R664-D723 IonicContact NE-OD2 3.32Å; R664-D723 IonicContact NH2-OD1 3.2Å; R664-D723 PolarHBondContact NH2-OD1 2.97Å; R664-D723 IonicContact NH2-OD2 2.79Å; R664-D723 PolarHBondContact NH2-OD2 3.42Å
665T89Confident79.2Confident16 Ų1631.9 Ų31.910%0.09817%0.169CC..Hα-helixtrans-61.1-43.3178-61.20000111.3R662 C663 T669 R722 R725 G726R662-T665 PolarHBondContact O-N 3.36Å; R662-T665 VanDerWaalsContact O-N 3.15Å; C663-T665 PolarHBondContact O-N 3Å; T665-T669 VanDerWaalsContact O-CB 3.31Å; T665-T669 WeakPolarHBondContact O-CB 3.32Å; T665-T669 PolarHBondContact O-N 3.2Å; T665-T669 PolarHBondContact O-OG1 2.93Å; T665-R722 WeakPolarHBondContact CA-O 3.49Å; T665-R722 WeakPolarHBondContact OG1-CB 3.4Å; T665-R722 VanDerWaalsContact OG1-CD 3.27Å; T665-R722 WeakPolarHBondContact OG1-CD 3.33Å; T665-R722 PolarHBondContact OG1-O 3.22Å; T665-R725 HydrophobicContact CG2-CG 4.49Å; T665-G726 WeakPolarHBondContact O-CA 3.23Å
666T88.7Confident80.7Confident42 Ų4229.2 Ų29.226%0.25815%0.146SC..Hα-helixtrans-66.9-42.4178.3-53.60000111.4L613 N617 C663 R664 T669 A670L613-T666 HydrophobicContact CB-CG2 4.09Å; L613-T666 WeakPolarHBondContact O-CG2 3.34Å; N617-T666 HydrophobicContact CB-CG2 3.72Å; C663-T666 PolarHBondContact O-N 3.48Å; C663-T666 VanDerWaalsContact O-N 3.15Å; R664-T666 VanDerWaalsContact C-N 3.34Å; R664-T666 PolarHBondContact O-N 3.22Å; T666-T669 WeakPolarHBondContact O-CB 3.25Å; T666-T669 PolarHBondContact O-N 3.38Å; T666-A670 PolarHBondContact O-N 2.8Å
667F90.8Very high81.9Confident0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-58-55.2177.1178.8-113.8000112.3L599 L613 L616 M638 H642 F647 F649 L650 C663 R664 T669 A670 L671L599-F667 HydrophobicContact CD1-CD2 4.26Å; L599-F667 HydrophobicContact CD1-CE2 3.91Å; L613-F667 HydrophobicContact CD1-CB 4.23Å; L613-F667 HydrophobicContact CD2-CB 3.76Å; L613-F667 HydrophobicContact CD2-CD2 3.58Å; L613-F667 HydrophobicContact CD2-CG 4.13Å; L616-F667 HydrophobicContact CD2-CD2 4.43Å; M638-F667 HydrophobicContact CE-CE2 3.68Å; M638-F667 HydrophobicContact CE-CZ 4.48Å; H642-F667 HydrophobicContact CB-CE1 4.11Å; H642-F667 HydrophobicContact CB-CZ 4.28Å; F647-F667 AromaticContact CD2-CZ 3.83Å; F647-F667 HydrophobicContact CD2-CZ 3.83Å; F647-F667 AromaticContact CE2-CZ 3.87Å; F647-F667 HydrophobicContact CE2-CZ 3.87Å; F649-F667 HydrophobicContact CE2-CB 4.38Å; F649-F667 HydrophobicContact CE2-CG 4.47Å; F649-F667 HydrophobicContact CZ-CB 4.14Å; F649-F667 HydrophobicContact CZ-CD1 4.08Å; F649-F667 HydrophobicContact CZ-CD2 4.01Å; F649-F667 HydrophobicContact CZ-CE1 4.43Å; F649-F667 HydrophobicContact CZ-CE2 4.36Å; F649-F667 AromaticContact CZ-CG 3.83Å; F649-F667 HydrophobicContact CZ-CG 3.83Å; L650-F667 HydrophobicContact CD1-CE1 3.92Å; L650-F667 HydrophobicContact CD2-CD1 4.15Å; L650-F667 HydrophobicContact CD2-CE1 4.34Å; C663-F667 PolarHBondContact O-N 3.35Å; R664-F667 PolarHBondContact O-N 2.9Å; F667-T669 VanDerWaalsContact C-N 3.3Å; F667-T669 PolarHBondContact O-N 3.47Å; F667-A670 PolarHBondContact O-N 3.12Å; F667-L671 HydrophobicContact CD1-CD1 3.88Å; F667-L671 HydrophobicContact CD2-CD1 4.29Å; F667-L671 HydrophobicContact CD2-CG 4.4Å; F667-L671 HydrophobicContact CE1-CD1 3.34Å; F667-L671 HydrophobicContact CE1-CG 4.39Å; F667-L671 HydrophobicContact CE2-CD1 3.82Å; F667-L671 HydrophobicContact CE2-CG 4.15Å; F667-L671 HydrophobicContact CG-CD1 4.34Å; F667-L671 HydrophobicContact CZ-CD1 3.33Å; F667-L671 HydrophobicContact CZ-CG 4.16Å; F667-L671 PolarHBondContact O-N 2.93Å
668Y91.1Very high82.8Confident8 Ų831.6 Ų31.63%0.03116%0.157CC..Hα-helixtrans-68-29.3179.6-82.6-79000112.9H642 L650 R664 T672 F689 L693 D723 I727H642-Y668 AromaticContact CD2-CE1 3.77Å; H642-Y668 AromaticContact CD2-CZ 3.98Å; H642-Y668 PolarHBondContact CD2-OH 3.16Å; L650-Y668 HydrophobicContact CD2-CE2 4.4Å; R664-Y668 WeakPolarHBondContact O-CD2 3.35Å; R664-Y668 PolarHBondContact O-N 2.94Å; Y668-T672 VanDerWaalsContact O-CB 3.23Å; Y668-T672 WeakPolarHBondContact O-CB 3.41Å; Y668-T672 PolarHBondContact O-N 2.85Å; Y668-T672 PolarHBondContact O-OG1 3.48Å; Y668-F689 HydrophobicContact CD1-CZ 4.29Å; Y668-F689 HydrophobicContact CE1-CZ 4.45Å; Y668-L693 HydrophobicContact CE1-CD1 4.47Å; Y668-D723 HydrophobicContact CD2-CB 3.56Å; Y668-D723 VanDerWaalsContact CD2-CG 3.49Å; Y668-D723 VanDerWaalsContact CD2-OD1 3.3Å; Y668-D723 WeakPolarHBondContact CD2-OD1 3.46Å; Y668-D723 HydrophobicContact CE2-CB 3.6Å; Y668-D723 WeakPolarHBondContact CE2-OD1 3.38Å; Y668-D723 HydrophobicContact CG-CB 4.06Å; Y668-I727 HydrophobicContact CD1-CD1 3.93Å; Y668-I727 HydrophobicContact CD1-CG1 3.96Å; Y668-I727 HydrophobicContact CE1-CD1 4.42Å; Y668-I727 HydrophobicContact CG-CG1 4.34Å
669T91.4Very high83.6Confident9 Ų927.7 Ų27.76%0.05514%0.137CC..Hα-helixtrans-60.6-49.2171.2-61.10000111T665 T666 F667 R673 G726 F729T665-T669 VanDerWaalsContact O-CB 3.31Å; T665-T669 WeakPolarHBondContact O-CB 3.32Å; T665-T669 PolarHBondContact O-N 3.2Å; T665-T669 PolarHBondContact O-OG1 2.93Å; T666-T669 WeakPolarHBondContact O-CB 3.25Å; T666-T669 PolarHBondContact O-N 3.38Å; F667-T669 VanDerWaalsContact C-N 3.3Å; F667-T669 PolarHBondContact O-N 3.47Å; T669-R673 WeakPolarHBondContact O-CG 3.39Å; T669-R673 PolarHBondContact O-N 2.69Å; T669-G726 WeakPolarHBondContact CA-O 3.35Å; T669-G726 VanDerWaalsContact OG1-CA 3.24Å; T669-G726 WeakPolarHBondContact OG1-CA 3.47Å; T669-G726 PolarHBondContact OG1-O 3.49Å; T669-F729 HydrophobicContact CG2-CD1 3.66Å; T669-F729 HydrophobicContact CG2-CE1 4.27Å
670A89.4Confident84.5Confident0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-70-42.2-17800000112.1L616 N617 T666 F667 R673 L674L616-A670 HydrophobicContact CD2-CB 4.05Å; L616-A670 HydrophobicContact CG-CB 3.79Å; N617-A670 HydrophobicContact CB-CB 4.48Å; T666-A670 PolarHBondContact O-N 2.8Å; F667-A670 PolarHBondContact O-N 3.12Å; A670-R673 PolarHBondContact O-N 2.95Å; A670-L674 WeakPolarHBondContact O-CG 3.47Å; A670-L674 PolarHBondContact O-N 2.63Å; A670-L674 VanDerWaalsContact O-N 3.16Å
671L90.8Very high85Confident0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-60.6-45175.7-77.9-176000112.7M638 L639 H642 F667 R673 L674 L675 F689M638-L671 HydrophobicContact CB-CD2 3.9Å; M638-L671 HydrophobicContact CE-CD2 4.08Å; L639-L671 HydrophobicContact CD2-CD2 4.4Å; H642-L671 HydrophobicContact CB-CD1 4.07Å; F667-L671 HydrophobicContact CD1-CD1 3.88Å; F667-L671 HydrophobicContact CD2-CD1 4.29Å; F667-L671 HydrophobicContact CD2-CG 4.4Å; F667-L671 HydrophobicContact CE1-CD1 3.34Å; F667-L671 HydrophobicContact CE1-CG 4.39Å; F667-L671 HydrophobicContact CE2-CD1 3.82Å; F667-L671 HydrophobicContact CE2-CG 4.15Å; F667-L671 HydrophobicContact CG-CD1 4.34Å; F667-L671 HydrophobicContact CZ-CD1 3.33Å; F667-L671 HydrophobicContact CZ-CG 4.16Å; F667-L671 PolarHBondContact O-N 2.93Å; L671-R673 VanDerWaalsContact C-N 3.29Å; L671-R673 PolarHBondContact O-N 2.96Å; L671-L674 WeakPolarHBondContact O-CB 3.3Å; L671-L674 PolarHBondContact O-N 3.19Å; L671-L674 VanDerWaalsContact O-N 3.09Å; L671-L675 PolarHBondContact O-N 3.46Å; L671-F689 HydrophobicContact CB-CZ 4.42Å
672T89.5Confident85.5Confident1 Ų138 Ų381%0.00620%0.197CC..Hα-helixtrans-66.3-35-178.8-53.90000111.1Y668 L674 L675 M676 I727 A730 L731Y668-T672 VanDerWaalsContact O-CB 3.23Å; Y668-T672 WeakPolarHBondContact O-CB 3.41Å; Y668-T672 PolarHBondContact O-N 2.85Å; Y668-T672 PolarHBondContact O-OG1 3.48Å; T672-L674 VanDerWaalsContact C-N 3.31Å; T672-L674 PolarHBondContact O-N 2.98Å; T672-L675 WeakPolarHBondContact O-CB 3.26Å; T672-L675 PolarHBondContact O-N 3Å; T672-M676 VanDerWaalsContact O-CG 3.28Å; T672-M676 WeakPolarHBondContact O-CG 3.4Å; T672-M676 PolarHBondContact O-N 3.17Å; T672-I727 HydrophobicContact CG2-CG2 4.06Å; T672-I727 WeakPolarHBondContact OG1-CA 3.42Å; T672-I727 WeakPolarHBondContact OG1-CG1 3.49Å; T672-A730 HydrophobicContact CG2-CB 3.61Å; T672-L731 HydrophobicContact CG2-CD2 3.69Å; T672-L731 HydrophobicContact CG2-CG 3.91Å
673R89.3Confident85.6Confident46 Ų4636.1 Ų36.117%0.17420%0.195CC..Hα-helixtrans-63.7-36172.3-72.9176.8-175.2151.81113N617 S620 L626 T669 A670 L671 A730N617-R673 PolarHBondContact OD1-NH1 3.01Å; S620-R673 WeakPolarHBondContact O-CD 3.48Å; S620-R673 WeakPolarHBondContact OG-CD 3.5Å; S620-R673 PolarHBondContact OG-NH1 2.95Å; L626-R673 HydrophobicContact CD2-CB 4.46Å; T669-R673 WeakPolarHBondContact O-CG 3.39Å; T669-R673 PolarHBondContact O-N 2.69Å; A670-R673 PolarHBondContact O-N 2.95Å; L671-R673 VanDerWaalsContact C-N 3.29Å; L671-R673 PolarHBondContact O-N 2.96Å; R673-A730 HydrophobicContact CG-CB 3.84Å
674L87.3Confident85.7Confident2 Ų241.1 Ų41.11%0.0122%0.221CC..Hα-helixtrans-67.6-44.1174.5-69.8162.8000110.8L616 L626 L629 V630 V635 A670 L671 T672 M676 V677L616-L674 HydrophobicContact CD1-CD1 4.48Å; L626-L674 HydrophobicContact CD2-CD2 3.52Å; L626-L674 HydrophobicContact CD2-CG 4.05Å; L629-L674 HydrophobicContact CB-CD2 3.78Å; L629-L674 HydrophobicContact CD1-CD2 4.12Å; V630-L674 HydrophobicContact CG2-CB 4.33Å; V630-L674 HydrophobicContact CG2-CD2 4.09Å; V630-L674 VanDerWaalsContact CG2-O 3.27Å; V630-L674 WeakPolarHBondContact CG2-O 3.18Å; V635-L674 HydrophobicContact CG1-CB 4.29Å; V635-L674 HydrophobicContact CG1-CD1 4.04Å; V635-L674 HydrophobicContact CG1-CD2 4.25Å; V635-L674 HydrophobicContact CG1-CG 4.43Å; A670-L674 WeakPolarHBondContact O-CG 3.47Å; A670-L674 PolarHBondContact O-N 2.63Å; A670-L674 VanDerWaalsContact O-N 3.16Å; L671-L674 WeakPolarHBondContact O-CB 3.3Å; L671-L674 PolarHBondContact O-N 3.19Å; L671-L674 VanDerWaalsContact O-N 3.09Å; T672-L674 VanDerWaalsContact C-N 3.31Å; T672-L674 PolarHBondContact O-N 2.98Å; L674-M676 VanDerWaalsContact C-N 3.34Å; L674-M676 PolarHBondContact O-N 2.83Å; L674-V677 WeakPolarHBondContact O-CG2 3.4Å; L674-V677 PolarHBondContact O-N 3.05Å
675L86.9Confident85.6Confident5 Ų544 Ų443%0.02624%0.235CC..Hα-helixtrans-57.2-46.4175.2-177.368000111.6L639 L671 T672 V677 D678 L679 E685 F689L639-L675 HydrophobicContact CD2-CB 4.01Å; L639-L675 HydrophobicContact CD2-CD1 4.46Å; L671-L675 PolarHBondContact O-N 3.46Å; T672-L675 WeakPolarHBondContact O-CB 3.26Å; T672-L675 PolarHBondContact O-N 3Å; L675-V677 PolarHBondContact O-N 3.17Å; L675-D678 PolarHBondContact O-N 2.65Å; L675-L679 HydrophobicContact CD1-CD1 4.29Å; L675-L679 HydrophobicContact CD2-CD1 4.44Å; L675-L679 HydrophobicContact CD2-CD2 4.42Å; L675-L679 HydrophobicContact CG-CB 4.41Å; L675-L679 HydrophobicContact CG-CD1 4.2Å; L675-L679 HydrophobicContact CG-CD2 4.4Å; L675-L679 WeakPolarHBondContact O-CB 3.46Å; L675-L679 PolarHBondContact O-N 3.36Å; L675-E685 HydrophobicContact CD1-CG 4.26Å; L675-F689 HydrophobicContact CD2-CB 4.1Å; L675-F689 HydrophobicContact CD2-CD1 3.77Å; L675-F689 HydrophobicContact CD2-CD2 4.19Å; L675-F689 HydrophobicContact CD2-CE1 4.23Å; L675-F689 HydrophobicContact CD2-CG 3.75Å
676M85.5Confident85.5Confident47 Ų4743.4 Ų43.423%0.23223%0.231CC..THydrogen-bonded Turntrans-59.1-15.5-176.6-79.1-168.578.300115.6T672 L674 L731 T733 S736T672-M676 VanDerWaalsContact O-CG 3.28Å; T672-M676 WeakPolarHBondContact O-CG 3.4Å; T672-M676 PolarHBondContact O-N 3.17Å; L674-M676 VanDerWaalsContact C-N 3.34Å; L674-M676 PolarHBondContact O-N 2.83Å; M676-L731 HydrophobicContact CG-CD2 4.04Å; M676-L731 HydrophobicContact SD-CD2 3.98Å; M676-T733 HydrophobicContact CE-CG2 3.88Å; M676-S736 WeakPolarHBondContact CE-OG 3.28Å
677V83.4Confident85.4Confident34 Ų3447.1 Ų47.121%0.20625%0.246CC..THydrogen-bonded Turntrans-69-43.4179.9-1790000111.3L626 K627 V630 L674 L675L626-V677 HydrophobicContact CB-CG2 3.76Å; L626-V677 HydrophobicContact CD1-CG2 4.36Å; L626-V677 HydrophobicContact CD2-CG2 4.47Å; L626-V677 HydrophobicContact CG-CG2 4.45Å; K627-V677 HydrophobicContact CG-CG1 3.88Å; V630-V677 HydrophobicContact CG2-CB 3.93Å; V630-V677 HydrophobicContact CG2-CG1 4.33Å; V630-V677 HydrophobicContact CG2-CG2 3.91Å; L674-V677 WeakPolarHBondContact O-CG2 3.4Å; L674-V677 PolarHBondContact O-N 3.05Å; L675-V677 PolarHBondContact O-N 3.17Å
678D79.1Confident85.3Confident110 Ų11052.5 Ų52.559%0.58827%0.274SS*.THydrogen-bonded Turntrans-106.5-17.8-175.2-72.5-9.6000112.4V630 L675 G680V630-D678 WeakPolarHBondContact CG1-OD2 3.42Å; L675-D678 PolarHBondContact O-N 2.65Å; D678-G680 VanDerWaalsContact C-N 3.34Å; D678-G680 PolarHBondContact O-N 3.43Å
679L78.1Confident85.2Confident5 Ų552.6 Ų52.63%0.02628%0.275CS..  trans-54.7-41-175.1-172.367.9000114.6L675 E681 D682 E685 F686 M739L675-L679 HydrophobicContact CD1-CD1 4.29Å; L675-L679 HydrophobicContact CD2-CD1 4.44Å; L675-L679 HydrophobicContact CD2-CD2 4.42Å; L675-L679 HydrophobicContact CG-CB 4.41Å; L675-L679 HydrophobicContact CG-CD1 4.2Å; L675-L679 HydrophobicContact CG-CD2 4.4Å; L675-L679 WeakPolarHBondContact O-CB 3.46Å; L675-L679 PolarHBondContact O-N 3.36Å; L679-E681 PolarHBondContact O-N 3.44Å; L679-D682 WeakPolarHBondContact CD1-O 3.36Å; L679-D682 WeakPolarHBondContact O-CB 3.34Å; L679-D682 PolarHBondContact O-N 3.27Å; L679-E685 HydrophobicContact CD1-CB 4.19Å; L679-E685 HydrophobicContact CD1-CG 4.39Å; L679-F686 HydrophobicContact CD1-CB 4.06Å; L679-F686 HydrophobicContact CD2-CD2 4.22Å; L679-M739 HydrophobicContact CD2-SD 4.42Å
680G76.9Confident85.2Confident54 Ų5452.1 Ų52.156%0.55727%0.272SS*.THydrogen-bonded Turntrans50.9-113.6-179.800000113.9D678D678-G680 VanDerWaalsContact C-N 3.34Å; D678-G680 PolarHBondContact O-N 3.43Å
681E75.2Confident85.2Confident156 Ų15656.7 Ų56.773%0.72930%0.296SS*.THydrogen-bonded Turntrans-115.917.2174.6-54.3-168.6150.700112.3L679 E683 T735L679-E681 PolarHBondContact O-N 3.44Å; E681-E683 PolarHBondContact O-N 2.98Å; E681-T735 HydrophobicContact CG-CG2 4.21Å
682D83.5Confident85Confident75 Ų7558.6 Ų58.640%0.40131%0.308SS..  trans-78.697.2-177.9-163.8-34.9000111L679 D684 E685 F686L679-D682 WeakPolarHBondContact CD1-O 3.36Å; L679-D682 WeakPolarHBondContact O-CB 3.34Å; L679-D682 PolarHBondContact O-N 3.27Å; D682-D684 PolarHBondContact OD1-N 3.39Å; D682-E685 HydrophobicContact CB-CB 4.2Å; D682-E685 PolarHBondContact OD1-N 3.21Å; D682-F686 PolarHBondContact O-N 3.07Å
683E81.1Confident85Confident123 Ų12358.7 Ų58.758%0.57531%0.309SS*.Hα-helixtrans-68.9-34.2178-69.3-177.817700112.2E681 F686 E687 M739E681-E683 PolarHBondContact O-N 2.98Å; E683-F686 WeakPolarHBondContact O-CB 3.36Å; E683-F686 PolarHBondContact O-N 3.17Å; E683-E687 WeakPolarHBondContact O-CG 3.18Å; E683-E687 PolarHBondContact O-N 2.87Å; E683-M739 HydrophobicContact CG-CE 3.67Å; E683-M739 HydrophobicContact CG-CG 4.31Å
684D84.8Confident84.9Confident114 Ų11457.5 Ų57.561%0.6131%0.307SS*.Hα-helixtrans-66.8-41.6-178.5-69.2-36000110.9D682 F686 E687 N688D682-D684 PolarHBondContact OD1-N 3.39Å; D684-F686 VanDerWaalsContact C-N 3.32Å; D684-F686 PolarHBondContact O-N 3.32Å; D684-E687 PolarHBondContact O-N 3.29Å; D684-N688 WeakPolarHBondContact O-CB 3.23Å; D684-N688 VanDerWaalsContact O-CG 3.32Å; D684-N688 PolarHBondContact O-N 3.07Å; D684-N688 PolarHBondContact O-ND2 3.23Å
685E85.6Confident85Confident76 Ų7661 Ų6136%0.35533%0.328SS..Hα-helixtrans-63.7-39174.9-171175.5-157.700111.6L675 L679 D682 F689L675-E685 HydrophobicContact CD1-CG 4.26Å; L679-E685 HydrophobicContact CD1-CB 4.19Å; L679-E685 HydrophobicContact CD1-CG 4.39Å; D682-E685 HydrophobicContact CB-CB 4.2Å; D682-E685 PolarHBondContact OD1-N 3.21Å; E685-F689 PolarHBondContact O-N 2.84Å; E685-F689 VanDerWaalsContact O-N 3.07Å
686F87.6Confident84.9Confident4 Ų462 Ų622%0.01834%0.337CS..Hα-helixtrans-63-47174.8-175.1-103.2000112L679 D682 E683 D684 N688 F689 M690 M739 L740 W743L679-F686 HydrophobicContact CD1-CB 4.06Å; L679-F686 HydrophobicContact CD2-CD2 4.22Å; D682-F686 PolarHBondContact O-N 3.07Å; E683-F686 WeakPolarHBondContact O-CB 3.36Å; E683-F686 PolarHBondContact O-N 3.17Å; D684-F686 VanDerWaalsContact C-N 3.32Å; D684-F686 PolarHBondContact O-N 3.32Å; F686-N688 PolarHBondContact O-N 3.09Å; F686-F689 WeakPolarHBondContact O-CB 3.31Å; F686-F689 PolarHBondContact O-N 3.15Å; F686-M690 HydrophobicContact CD1-CG 4.09Å; F686-M690 HydrophobicContact CE1-CG 3.69Å; F686-M690 HydrophobicContact CE2-CG 4.14Å; F686-M690 HydrophobicContact CE2-SD 4.38Å; F686-M690 HydrophobicContact CG-CG 4.49Å; F686-M690 HydrophobicContact CZ-CG 3.71Å; F686-M690 HydrophobicContact CZ-SD 4.07Å; F686-M690 WeakPolarHBondContact O-CG 3.16Å; F686-M690 PolarHBondContact O-N 3.41Å; F686-M739 HydrophobicContact CB-SD 4.45Å; F686-M739 HydrophobicContact CD1-CB 3.87Å; F686-M739 HydrophobicContact CE1-CB 3.92Å; F686-M739 HydrophobicContact CG-CB 4.2Å; F686-M739 HydrophobicContact CG-SD 4.5Å; F686-M739 HydrophobicContact CZ-CB 4.31Å; F686-L740 HydrophobicContact CZ-CB 4.02Å; F686-L740 HydrophobicContact CZ-CD1 4.25Å; F686-W743 HydrophobicContact CE1-CB 4.2Å
687E87.2Confident84.9Confident120 Ų12059.8 Ų59.856%0.56133%0.326SS*.Hα-helixtrans-62.4-41.9179.2-74.2-168.9174.200112.1E683 D684 F689 M690 L691E683-E687 WeakPolarHBondContact O-CG 3.18Å; E683-E687 PolarHBondContact O-N 2.87Å; D684-E687 PolarHBondContact O-N 3.29Å; E687-F689 VanDerWaalsContact C-N 3.3Å; E687-F689 PolarHBondContact O-N 3.46Å; E687-M690 PolarHBondContact O-N 3.33Å; E687-M690 VanDerWaalsContact O-N 3.14Å; E687-L691 PolarHBondContact O-N 3.31Å
688N87.9Confident85.1Confident113 Ų11362.8 Ų62.860%0.60434%0.338SS*.Hα-helixtrans-61.3-39.4175.3-76.8-53.7000112D684 F686D684-N688 WeakPolarHBondContact O-CB 3.23Å; D684-N688 VanDerWaalsContact O-CG 3.32Å; D684-N688 PolarHBondContact O-N 3.07Å; D684-N688 PolarHBondContact O-ND2 3.23Å; F686-N688 PolarHBondContact O-N 3.09Å
689F89.4Confident85.4Confident10 Ų1059.9 Ų59.94%0.04432%0.324CS..Hα-helixtrans-66.7-37.1174.2179.5-97000112.2L639 H642 Y668 L671 L675 E685 F686 E687 P692 I727L639-F689 HydrophobicContact CD2-CE2 4.2Å; H642-F689 AromaticContact CE1-CD2 3.61Å; H642-F689 AromaticContact CE1-CE2 3.72Å; H642-F689 PolarHBondContact CE1-O 3.28Å; H642-F689 AromaticContact ND1-CE2 3.85Å; H642-F689 PolarHBondContact NE2-O 3.25Å; H642-F689 VanDerWaalsContact NE2-O 3.14Å; Y668-F689 HydrophobicContact CD1-CZ 4.29Å; Y668-F689 HydrophobicContact CE1-CZ 4.45Å; L671-F689 HydrophobicContact CB-CZ 4.42Å; L675-F689 HydrophobicContact CD2-CB 4.1Å; L675-F689 HydrophobicContact CD2-CD1 3.77Å; L675-F689 HydrophobicContact CD2-CD2 4.19Å; L675-F689 HydrophobicContact CD2-CE1 4.23Å; L675-F689 HydrophobicContact CD2-CG 3.75Å; E685-F689 PolarHBondContact O-N 2.84Å; E685-F689 VanDerWaalsContact O-N 3.07Å; F686-F689 WeakPolarHBondContact O-CB 3.31Å; F686-F689 PolarHBondContact O-N 3.15Å; E687-F689 VanDerWaalsContact C-N 3.3Å; E687-F689 PolarHBondContact O-N 3.46Å; F689-P692 WeakPolarHBondContact O-CD 3.23Å; F689-I727 HydrophobicContact CE1-CD1 4.22Å
690M90.2Very high85.6Confident0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-80.7-15.3-178.9-66.5-61.7-70.700113.9F686 E687 L693 T694 L724 I727 L740 W743F686-M690 HydrophobicContact CD1-CG 4.09Å; F686-M690 HydrophobicContact CE1-CG 3.69Å; F686-M690 HydrophobicContact CE2-CG 4.14Å; F686-M690 HydrophobicContact CE2-SD 4.38Å; F686-M690 HydrophobicContact CG-CG 4.49Å; F686-M690 HydrophobicContact CZ-CG 3.71Å; F686-M690 HydrophobicContact CZ-SD 4.07Å; F686-M690 WeakPolarHBondContact O-CG 3.16Å; F686-M690 PolarHBondContact O-N 3.41Å; E687-M690 PolarHBondContact O-N 3.33Å; E687-M690 VanDerWaalsContact O-N 3.14Å; M690-L693 HydrophobicContact CE-CD1 3.92Å; M690-L693 WeakPolarHBondContact O-CA 3.31Å; M690-L693 WeakPolarHBondContact O-CB 3.45Å; M690-L693 PolarHBondContact O-N 2.91Å; M690-L693 HydrophobicContact SD-CD1 4.06Å; M690-T694 PolarHBondContact O-N 2.89Å; M690-T694 PolarHBondContact O-OG1 2.69Å; M690-L724 HydrophobicContact CE-CD2 3.96Å; M690-I727 HydrophobicContact CE-CD1 4.32Å; M690-I727 HydrophobicContact SD-CD1 3.87Å; M690-L740 HydrophobicContact CE-CD1 4.03Å; M690-W743 HydrophobicContact CB-CZ2 4.37Å; M690-W743 HydrophobicContact CE-CD2 3.63Å; M690-W743 HydrophobicContact CE-CE3 3.42Å; M690-W743 VanDerWaalsContact CE-CE3 3.42Å; M690-W743 HydrophobicContact CE-CG 4.47Å; M690-W743 HydrophobicContact CE-CH2 3.55Å; M690-W743 HydrophobicContact CE-CZ2 3.73Å; M690-W743 HydrophobicContact CE-CZ3 3.4Å
691L89.4Confident85.9Confident95 Ų9561.1 Ų61.150%0.49732%0.318SS..Hα-helixtrans-50.4-44.4-175.4-17667.1000114.6E687 L693 T694 V695E687-L691 PolarHBondContact O-N 3.31Å; L691-L693 VanDerWaalsContact C-N 3.27Å; L691-L693 PolarHBondContact O-N 2.66Å; L691-T694 VanDerWaalsContact O-CB 3.31Å; L691-T694 WeakPolarHBondContact O-CB 3.43Å; L691-T694 PolarHBondContact O-N 3.35Å; L691-V695 WeakPolarHBondContact O-CG2 3.48Å; L691-V695 PolarHBondContact O-N 3.15Å; L691-V695 VanDerWaalsContact O-N 3.07Å
692P87.5Confident86.1Confident40 Ų4059.5 Ų59.526%0.2631%0.31SS..Hα-helixtrans-63.2-32.7177.3-23.736.7000113.5T643 F689 A696T643-P692 HydrophobicContact CG2-CB 3.95Å; T643-P692 HydrophobicContact CG2-CG 4.15Å; F689-P692 WeakPolarHBondContact O-CD 3.23Å; P692-A696 PolarHBondContact O-N 3.41Å
693L88.6Confident85.9Confident4 Ų458 Ų582%0.02130%0.302CS..Hα-helixtrans-74.3-37.1176-60.9176.1000111.2Y668 M690 L691 A696 F697 L720 D723 L724 I727 W743Y668-L693 HydrophobicContact CE1-CD1 4.47Å; M690-L693 HydrophobicContact CE-CD1 3.92Å; M690-L693 WeakPolarHBondContact O-CA 3.31Å; M690-L693 WeakPolarHBondContact O-CB 3.45Å; M690-L693 PolarHBondContact O-N 2.91Å; M690-L693 HydrophobicContact SD-CD1 4.06Å; L691-L693 VanDerWaalsContact C-N 3.27Å; L691-L693 PolarHBondContact O-N 2.66Å; L693-A696 PolarHBondContact O-N 3.34Å; L693-F697 WeakPolarHBondContact O-CD2 3.41Å; L693-F697 PolarHBondContact O-N 3.27Å; L693-L720 HydrophobicContact CD2-CD2 3.9Å; L693-D723 HydrophobicContact CD2-CB 4.1Å; L693-L724 HydrophobicContact CD1-CD2 4.34Å; L693-I727 HydrophobicContact CD1-CD1 3.47Å; L693-I727 VanDerWaalsContact CD1-CD1 3.47Å; L693-W743 HydrophobicContact CB-CH2 4.17Å; L693-W743 HydrophobicContact CB-CZ2 4.24Å
694T88.3Confident85.4Confident21 Ų2153 Ų5313%0.12928%0.278CS..Hα-helixtrans-54.5-52.8171.8-59.30000110.5M690 L691 A696 F697 E698 W743 Y748M690-T694 PolarHBondContact O-N 2.89Å; M690-T694 PolarHBondContact O-OG1 2.69Å; L691-T694 VanDerWaalsContact O-CB 3.31Å; L691-T694 WeakPolarHBondContact O-CB 3.43Å; L691-T694 PolarHBondContact O-N 3.35Å; T694-A696 VanDerWaalsContact C-N 3.28Å; T694-A696 PolarHBondContact O-N 3.13Å; T694-F697 PolarHBondContact O-N 2.68Å; T694-F697 VanDerWaalsContact O-N 3.12Å; T694-E698 WeakPolarHBondContact O-CG 3.34Å; T694-E698 PolarHBondContact O-N 3.12Å; T694-W743 PolarHBondContact OG1-NE1 3.02Å; T694-W743 VanDerWaalsContact OG1-NE1 3.13Å; T694-Y748 WeakPolarHBondContact CG2-OH 3.38Å
695V88.6Confident84.7Confident76 Ų7653.3 Ų53.346%0.46128%0.28SS..Hα-helixtrans-59.6-39.51791750000111.6L691 E698 T699L691-V695 WeakPolarHBondContact O-CG2 3.48Å; L691-V695 PolarHBondContact O-N 3.15Å; L691-V695 VanDerWaalsContact O-N 3.07Å; V695-E698 PolarHBondContact O-N 3.26Å; V695-T699 WeakPolarHBondContact O-CB 3.42Å; V695-T699 PolarHBondContact O-N 3.44Å; V695-T699 PolarHBondContact O-OG1 3.29Å
696A85.8Confident83.9Confident25 Ų2554.9 Ų54.921%0.20729%0.291CS..Hα-helixtrans-66.1-41176.600000112.5P692 L693 T694 T699 V700 L720P692-A696 PolarHBondContact O-N 3.41Å; L693-A696 PolarHBondContact O-N 3.34Å; T694-A696 VanDerWaalsContact C-N 3.28Å; T694-A696 PolarHBondContact O-N 3.13Å; A696-T699 PolarHBondContact O-N 2.93Å; A696-V700 WeakPolarHBondContact O-CG2 3.1Å; A696-V700 PolarHBondContact O-N 2.94Å; A696-L720 HydrophobicContact CB-CD1 4.36Å; A696-L720 HydrophobicContact CB-CD2 3.79Å; A696-L720 HydrophobicContact CB-CG 4.42Å
697F85.5Confident82.7Confident0 Ų059.6 Ų59.60%032%0.316CS..Hα-helixtrans-65.1-41.8174.1-90.5-71.3000112.8L693 T694 T699 V700 L701 L720 L724 W743 Y748 I751 L752L693-F697 WeakPolarHBondContact O-CD2 3.41Å; L693-F697 PolarHBondContact O-N 3.27Å; T694-F697 PolarHBondContact O-N 2.68Å; T694-F697 VanDerWaalsContact O-N 3.12Å; F697-T699 VanDerWaalsContact C-N 3.33Å; F697-T699 PolarHBondContact O-N 3.43Å; F697-V700 PolarHBondContact O-N 3.28Å; F697-L701 PolarHBondContact O-N 3.15Å; F697-L720 HydrophobicContact CD1-CD1 3.99Å; F697-L720 HydrophobicContact CD2-CD1 4.13Å; F697-L720 HydrophobicContact CD2-CD2 4.01Å; F697-L720 HydrophobicContact CE1-CD1 4Å; F697-L720 HydrophobicContact CE2-CB 4.28Å; F697-L720 HydrophobicContact CE2-CD1 4.12Å; F697-L720 HydrophobicContact CE2-CD2 3.85Å; F697-L720 HydrophobicContact CE2-CG 4.31Å; F697-L720 HydrophobicContact CG-CD1 4.05Å; F697-L720 HydrophobicContact CZ-CB 4.08Å; F697-L720 HydrophobicContact CZ-CD1 4.06Å; F697-L720 HydrophobicContact CZ-CD2 4.44Å; F697-L720 HydrophobicContact CZ-CG 4.43Å; F697-L724 HydrophobicContact CE2-CD1 3.7Å; F697-L724 HydrophobicContact CE2-CG 4.39Å; F697-L724 HydrophobicContact CZ-CD1 3.59Å; F697-W743 AromaticContact CD2-CH2 3.77Å; F697-W743 HydrophobicContact CD2-CH2 3.77Å; F697-W743 HydrophobicContact CD2-CZ2 4.48Å; F697-W743 AromaticContact CE2-CH2 3.81Å; F697-W743 HydrophobicContact CE2-CH2 3.81Å; F697-W743 HydrophobicContact CE2-CZ3 4.33Å; F697-Y748 HydrophobicContact CB-CD1 3.56Å; F697-Y748 HydrophobicContact CB-CE1 3.61Å; F697-Y748 HydrophobicContact CB-CG 4.38Å; F697-Y748 AromaticContact CD1-CD1 3.95Å; F697-Y748 HydrophobicContact CD1-CD1 3.95Å; F697-Y748 HydrophobicContact CD1-CG 4.27Å; F697-Y748 HydrophobicContact CD2-CD1 4.33Å; F697-Y748 HydrophobicContact CD2-CG 4.35Å; F697-Y748 AromaticContact CG-CD1 3.69Å; F697-Y748 HydrophobicContact CG-CD1 3.69Å; F697-Y748 HydrophobicContact CG-CE1 4.21Å; F697-Y748 HydrophobicContact CG-CG 4.08Å; F697-I751 HydrophobicContact CD1-CD1 4.1Å; F697-L752 HydrophobicContact CE1-CD2 4.32Å
698E86.9Confident81.1Confident97 Ų9763.4 Ų63.445%0.45333%0.331SS..Hα-helixtrans-63.2-40.2175.5-71.5-178.7171.900111.8T694 V695 L701 Q702T694-E698 WeakPolarHBondContact O-CG 3.34Å; T694-E698 PolarHBondContact O-N 3.12Å; V695-E698 PolarHBondContact O-N 3.26Å; E698-L701 WeakPolarHBondContact O-CB 3.42Å; E698-L701 PolarHBondContact O-N 3.13Å; E698-Q702 WeakPolarHBondContact O-CG 3.34Å; E698-Q702 PolarHBondContact O-N 3.41Å
699T84.7Confident79.9Confident50 Ų5063.9 Ų63.931%0.30733%0.328SS..Hα-helixtrans-62.6-44174.7-56.90000111V695 A696 F697 L701 Q702 I703 M716V695-T699 WeakPolarHBondContact O-CB 3.42Å; V695-T699 PolarHBondContact O-N 3.44Å; V695-T699 PolarHBondContact O-OG1 3.29Å; A696-T699 PolarHBondContact O-N 2.93Å; F697-T699 VanDerWaalsContact C-N 3.33Å; F697-T699 PolarHBondContact O-N 3.43Å; T699-L701 VanDerWaalsContact C-N 3.34Å; T699-L701 PolarHBondContact O-N 3.21Å; T699-Q702 PolarHBondContact O-N 3.32Å; T699-I703 HydrophobicContact CG2-CD1 3.83Å; T699-I703 VanDerWaalsContact O-CG1 3.28Å; T699-I703 WeakPolarHBondContact O-CG1 3.14Å; T699-I703 PolarHBondContact O-N 2.94Å; T699-I703 VanDerWaalsContact O-N 3.07Å; T699-M716 HydrophobicContact CG2-CE 3.91Å
700V84Confident79Confident0 Ų068.3 Ų68.30%035%0.349CS..Hα-helixtrans-59.6-45.8173.9168.80000110.7A696 F697 Q702 I703 F704 V713 M716 L717 L720 I751A696-V700 WeakPolarHBondContact O-CG2 3.1Å; A696-V700 PolarHBondContact O-N 2.94Å; F697-V700 PolarHBondContact O-N 3.28Å; V700-Q702 VanDerWaalsContact C-N 3.32Å; V700-Q702 PolarHBondContact O-N 3.11Å; V700-I703 PolarHBondContact O-N 3.3Å; V700-F704 VanDerWaalsContact O-CB 3.26Å; V700-F704 WeakPolarHBondContact O-CB 3.37Å; V700-F704 PolarHBondContact O-N 3.04Å; V700-V713 HydrophobicContact CG1-CG1 4.17Å; V700-M716 HydrophobicContact CG2-CB 3.83Å; V700-M716 HydrophobicContact CG2-CE 3.92Å; V700-M716 HydrophobicContact CG2-SD 4.19Å; V700-L717 HydrophobicContact CG1-CD1 4.41Å; V700-L717 HydrophobicContact CG1-CD2 3.92Å; V700-L717 HydrophobicContact CG1-CG 4.1Å; V700-L720 HydrophobicContact CG2-CD1 4.07Å; V700-I751 HydrophobicContact CG1-CG2 3.98Å
701L81.8Confident78.2Confident85 Ų8573.3 Ų73.345%0.44537%0.372SS..Hα-helixtrans-57-44.9178.9-168.892000111.6F697 E698 T699 N705 I751F697-L701 PolarHBondContact O-N 3.15Å; E698-L701 WeakPolarHBondContact O-CB 3.42Å; E698-L701 PolarHBondContact O-N 3.13Å; T699-L701 VanDerWaalsContact C-N 3.34Å; T699-L701 PolarHBondContact O-N 3.21Å; L701-N705 PolarHBondContact O-ND2 3.44Å; L701-I751 HydrophobicContact CB-CD1 4.4Å; L701-I751 HydrophobicContact CD1-CD1 3.69Å; L701-I751 HydrophobicContact CD1-CG1 3.98Å
702Q79.9Confident77.6Confident122 Ų12271.4 Ų71.457%0.5736%0.362SS*.Hα-helixtrans-63.5-42.3177.8-70.1176.210.300112.2E698 T699 V700 N706E698-Q702 WeakPolarHBondContact O-CG 3.34Å; E698-Q702 PolarHBondContact O-N 3.41Å; T699-Q702 PolarHBondContact O-N 3.32Å; V700-Q702 VanDerWaalsContact C-N 3.32Å; V700-Q702 PolarHBondContact O-N 3.11Å; Q702-N706 PolarHBondContact O-ND2 3.45Å; Q702-N706 VanDerWaalsContact O-ND2 3.14Å
703I78.1Confident77.2Confident43 Ų4369.7 Ų69.722%0.22135%0.351CS..Hα-helixtrans-75.8-33.7-178.4-57.6165.9000111.5T699 V700 N705 N706 N707 K709 V713 M716T699-I703 HydrophobicContact CG2-CD1 3.83Å; T699-I703 VanDerWaalsContact O-CG1 3.28Å; T699-I703 WeakPolarHBondContact O-CG1 3.14Å; T699-I703 PolarHBondContact O-N 2.94Å; T699-I703 VanDerWaalsContact O-N 3.07Å; V700-I703 PolarHBondContact O-N 3.3Å; I703-N705 PolarHBondContact O-N 3.14Å; I703-N706 PolarHBondContact O-N 3.47Å; I703-N707 PolarHBondContact O-N 2.94Å; I703-K709 HydrophobicContact CG2-CB 4.21Å; I703-V713 HydrophobicContact CB-CG2 3.79Å; I703-V713 HydrophobicContact CG2-CG2 3.28Å; I703-M716 HydrophobicContact CD1-SD 4.48Å
704F71.7Confident76.9Confident17 Ų1770 Ų708%0.07535%0.352CS..Hα-helixtrans-61.4-27.4179.6-153.9-98.7000112.8V700 V713 N754 R758 W759V700-F704 VanDerWaalsContact O-CB 3.26Å; V700-F704 WeakPolarHBondContact O-CB 3.37Å; V700-F704 PolarHBondContact O-N 3.04Å; F704-V713 HydrophobicContact CD2-CG1 4.15Å; F704-N754 HydrophobicContact CE1-CB 3.72Å; F704-N754 HydrophobicContact CZ-CB 3.66Å; F704-R758 VanDerWaalsContact CE1-NH2 3.26Å; F704-R758 VanDerWaalsContact CZ-CD 3.49Å; F704-R758 HydrophobicContact CZ-CG 4.45Å; F704-W759 HydrophobicContact CD2-CH2 4.36Å; F704-W759 AromaticContact CE2-CH2 3.78Å; F704-W759 HydrophobicContact CE2-CH2 3.78Å; F704-W759 HydrophobicContact CE2-CZ3 4Å
705N70.2Confident76.6Confident121 Ų12170.8 Ų70.865%0.64735%0.353SS*.THydrogen-bonded Turntrans-79-21174.3-68.8-24.9000113.3L701 I703L701-N705 PolarHBondContact O-ND2 3.44Å; I703-N705 PolarHBondContact O-N 3.14Å
706N68.6Low76.3Confident109 Ų10968.5 Ų68.558%0.58334%0.337SS*.THydrogen-bonded Turntrans-103.6-4.2-170.3-70.6-28.3000114.7Q702 I703 F708Q702-N706 PolarHBondContact O-ND2 3.45Å; Q702-N706 VanDerWaalsContact O-ND2 3.14Å; I703-N706 PolarHBondContact O-N 3.47Å; N706-F708 WeakPolarHBondContact O-CD2 3.3Å; N706-F708 PolarHBondContact O-N 2.83Å
707N63.1Low76.3Confident103 Ų10367.3 Ų67.355%0.55133%0.328SS*.  trans54.1-5.9172.1-78.3-15.7000120I703I703-N707 PolarHBondContact O-N 2.94Å
708F53.9Low76.4Confident200 Ų20067.8 Ų67.888%0.87733%0.33SS*.SBendtrans-87.2-5.5-171.1-80.9-78000116.5N706N706-F708 WeakPolarHBondContact O-CD2 3.3Å; N706-F708 PolarHBondContact O-N 2.83Å
709K60.8Low76.3Confident123 Ų12363.1 Ų63.154%0.53531%0.308SS..  trans-141.367.7-177.2-66.3-172.9173.6-166.80113.8I703 D712 V713I703-K709 HydrophobicContact CG2-CB 4.21Å; K709-D712 HydrophobicContact CB-CB 4.42Å; K709-V713 VanDerWaalsContact O-CG2 3.23Å; K709-V713 WeakPolarHBondContact O-CG2 3.49Å; K709-V713 PolarHBondContact O-N 2.99Å
710Q70.8Confident76.5Confident104 Ų10460.9 Ų60.949%0.48630%0.295SS..Hα-helixtrans-67.9-38.3-174.4-66.1-171-3.300114V713 K714Q710-V713 PolarHBondContact O-N 3.41Å; Q710-K714 VanDerWaalsContact O-CG 3.26Å; Q710-K714 WeakPolarHBondContact O-CG 3.41Å; Q710-K714 PolarHBondContact O-N 3.08Å
711E74.1Confident76.8Confident104 Ų10460.9 Ų60.949%0.48630%0.295SS..Hα-helixtrans-69.8-41.1-178.1-70.6-57.5129.800113.3V713 K714 R715E711-V713 VanDerWaalsContact C-N 3.34Å; E711-V713 PolarHBondContact O-N 3.01Å; E711-K714 WeakPolarHBondContact O-CB 3.24Å; E711-K714 PolarHBondContact O-N 2.98Å; E711-K714 IonicContact OE1-NZ 3.8Å; E711-K714 PolarHBondContact OE1-NZ 3.1Å; E711-R715 PolarHBondContact O-N 3.17Å
712D76.1Confident77.2Confident55 Ų5558.5 Ų58.529%0.29428%0.28SS..Hα-helixtrans-62.8-43.2175.7-65.5-22.4000111.1K709 K714 R715 M716K709-D712 HydrophobicContact CB-CB 4.42Å; D712-K714 PolarHBondContact O-N 3.18Å; D712-R715 PolarHBondContact O-N 3.31Å; D712-M716 WeakPolarHBondContact O-CB 3.27Å; D712-M716 VanDerWaalsContact O-CG 3.28Å; D712-M716 WeakPolarHBondContact O-CG 3.18Å; D712-M716 PolarHBondContact O-N 3.43Å
713V80.6Confident77.7Confident5 Ų552.8 Ų52.83%0.0325%0.253CS..Hα-helixtrans-63.2-41.9176.71740000111.4V700 I703 F704 K709 Q710 E711 M716 L717 W759V700-V713 HydrophobicContact CG1-CG1 4.17Å; I703-V713 HydrophobicContact CB-CG2 3.79Å; I703-V713 HydrophobicContact CG2-CG2 3.28Å; F704-V713 HydrophobicContact CD2-CG1 4.15Å; K709-V713 VanDerWaalsContact O-CG2 3.23Å; K709-V713 WeakPolarHBondContact O-CG2 3.49Å; K709-V713 PolarHBondContact O-N 2.99Å; Q710-V713 PolarHBondContact O-N 3.41Å; E711-V713 VanDerWaalsContact C-N 3.34Å; E711-V713 PolarHBondContact O-N 3.01Å; V713-M716 PolarHBondContact O-N 3.25Å; V713-L717 HydrophobicContact CG1-CD1 3.84Å; V713-L717 HydrophobicContact CG1-CG 4.4Å; V713-L717 WeakPolarHBondContact O-CB 3.47Å; V713-L717 WeakPolarHBondContact O-CG 3.09Å; V713-L717 PolarHBondContact O-N 3.48Å; V713-W759 HydrophobicContact CG1-CH2 3.84Å
714K81.3Confident78.4Confident10 Ų1050.7 Ų50.74%0.04324%0.242CC..Hα-helixtrans-59.2-48.6174.7-74.7172.2-173.1-177.80111.1Q710 E711 D712 M716 L717 I718 W759 E762Q710-K714 VanDerWaalsContact O-CG 3.26Å; Q710-K714 WeakPolarHBondContact O-CG 3.41Å; Q710-K714 PolarHBondContact O-N 3.08Å; E711-K714 WeakPolarHBondContact O-CB 3.24Å; E711-K714 PolarHBondContact O-N 2.98Å; E711-K714 IonicContact OE1-NZ 3.8Å; E711-K714 PolarHBondContact OE1-NZ 3.1Å; D712-K714 PolarHBondContact O-N 3.18Å; K714-M716 PolarHBondContact O-N 2.82Å; K714-L717 PolarHBondContact O-N 3.36Å; K714-I718 WeakPolarHBondContact O-CB 3.44Å; K714-I718 WeakPolarHBondContact O-CG1 3.4Å; K714-I718 PolarHBondContact O-N 3.34Å; K714-W759 HydrophobicContact CG-CD2 3.98Å; K714-W759 HydrophobicContact CG-CE3 4.27Å; K714-W759 HydrophobicContact CG-CH2 4.22Å; K714-W759 HydrophobicContact CG-CZ2 3.91Å; K714-W759 HydrophobicContact CG-CZ3 4.41Å; K714-E762 WeakPolarHBondContact CD-OE2 3.43Å; K714-E762 VanDerWaalsContact CE-OE2 3.26Å; K714-E762 WeakPolarHBondContact CE-OE2 3.5Å; K714-E762 IonicContact NZ-OE1 2.64Å; K714-E762 PolarHBondContact NZ-OE1 2.86Å; K714-E762 IonicContact NZ-OE2 3.69Å; K714-E762 PolarHBondContact NZ-OE2 3.07Å
715R81.4Confident79.3Confident38 Ų3852.9 Ų52.914%0.14325%0.25CC..Hα-helixtrans-64.9-39.1179.3-68.5-167.3-174.5124.5-13.4112.3I652 D654 L658 F661 E711 D712 I718 G719I652-R715 HydrophobicContact CG2-CB 3.61Å; D654-R715 IonicContact OD1-CZ 3.35Å; D654-R715 IonicContact OD1-NH1 2.84Å; D654-R715 PolarHBondContact OD1-NH1 3.25Å; D654-R715 IonicContact OD1-NH2 3.12Å; D654-R715 PolarHBondContact OD1-NH2 3.2Å; L658-R715 HydrophobicContact CD2-CG 4.43Å; F661-R715 HydrophobicContact CE2-CB 4.39Å; F661-R715 HydrophobicContact CE2-CG 4.47Å; F661-R715 HydrophobicContact CZ-CB 4.37Å; E711-R715 PolarHBondContact O-N 3.17Å; D712-R715 PolarHBondContact O-N 3.31Å; R715-I718 PolarHBondContact O-N 2.94Å; R715-G719 PolarHBondContact O-N 3.18Å
716M83.1Confident80.3Confident27 Ų2747.1 Ų47.113%0.13322%0.219CC..Hα-helixtrans-58.9-48.4172.6-75.4-178.881.900111.8I652 T699 V700 I703 D712 V713 K714 G719 L720I652-M716 HydrophobicContact CD1-CB 4.5Å; I652-M716 HydrophobicContact CD1-CG 3.43Å; I652-M716 VanDerWaalsContact CD1-CG 3.43Å; I652-M716 HydrophobicContact CD1-SD 4.42Å; I652-M716 HydrophobicContact CG1-CG 4.21Å; I652-M716 HydrophobicContact CG2-CG 4.47Å; T699-M716 HydrophobicContact CG2-CE 3.91Å; V700-M716 HydrophobicContact CG2-CB 3.83Å; V700-M716 HydrophobicContact CG2-CE 3.92Å; V700-M716 HydrophobicContact CG2-SD 4.19Å; I703-M716 HydrophobicContact CD1-SD 4.48Å; D712-M716 WeakPolarHBondContact O-CB 3.27Å; D712-M716 VanDerWaalsContact O-CG 3.28Å; D712-M716 WeakPolarHBondContact O-CG 3.18Å; D712-M716 PolarHBondContact O-N 3.43Å; V713-M716 PolarHBondContact O-N 3.25Å; K714-M716 PolarHBondContact O-N 2.82Å; M716-G719 PolarHBondContact O-N 3.04Å; M716-L720 WeakPolarHBondContact O-CB 2.93Å; M716-L720 WeakPolarHBondContact O-CG 3.37Å; M716-L720 PolarHBondContact O-N 2.82Å
717L86.2Confident81.4Confident0 Ų041.9 Ų41.90%019%0.191CC..Hα-helixtrans-65.6-38.5178.7-76.7169.4000112.8V700 V713 K714 G719 A721 I751 L752 A755 W759V700-L717 HydrophobicContact CG1-CD1 4.41Å; V700-L717 HydrophobicContact CG1-CD2 3.92Å; V700-L717 HydrophobicContact CG1-CG 4.1Å; V713-L717 HydrophobicContact CG1-CD1 3.84Å; V713-L717 HydrophobicContact CG1-CG 4.4Å; V713-L717 WeakPolarHBondContact O-CB 3.47Å; V713-L717 WeakPolarHBondContact O-CG 3.09Å; V713-L717 PolarHBondContact O-N 3.48Å; K714-L717 PolarHBondContact O-N 3.36Å; L717-G719 VanDerWaalsContact C-N 3.34Å; L717-A721 VanDerWaalsContact O-CB 3.23Å; L717-A721 WeakPolarHBondContact O-CB 3.46Å; L717-A721 PolarHBondContact O-N 2.93Å; L717-I751 HydrophobicContact CD2-CG2 4.24Å; L717-L752 HydrophobicContact CD2-CD2 4.22Å; L717-A755 HydrophobicContact CD1-CB 3.74Å; L717-W759 HydrophobicContact CD1-CE3 4.49Å; L717-W759 HydrophobicContact CD1-CH2 4.1Å; L717-W759 HydrophobicContact CD1-CZ3 3.49Å; L717-W759 VanDerWaalsContact CD1-CZ3 3.49Å
718I86.7Confident82.7Confident10 Ų1037 Ų375%0.05117%0.165CC..Hα-helixtrans-60.5-47172.8-70.9164.9000109.9L658 F661 K714 R715 R722 C765 P768L658-I718 HydrophobicContact CD2-CD1 4.09Å; F661-I718 HydrophobicContact CB-CG2 4.34Å; F661-I718 HydrophobicContact CD2-CG2 3.87Å; F661-I718 HydrophobicContact CG-CG2 4.33Å; K714-I718 WeakPolarHBondContact O-CB 3.44Å; K714-I718 WeakPolarHBondContact O-CG1 3.4Å; K714-I718 PolarHBondContact O-N 3.34Å; R715-I718 PolarHBondContact O-N 2.94Å; I718-R722 WeakPolarHBondContact O-CB 3.41Å; I718-R722 WeakPolarHBondContact O-CG 3.37Å; I718-R722 PolarHBondContact O-N 2.71Å; I718-R722 VanDerWaalsContact O-N 3.08Å; I718-C765 HydrophobicContact CD1-CB 4.33Å; I718-C765 HydrophobicContact CG1-CB 4.31Å; I718-P768 HydrophobicContact CG2-CG 4.27Å
719G85.9Confident84.5Confident0 Ų030.9 Ų30.90%014%0.138CC..Hα-helixtrans-57.3-56175.600000112.5R715 M716 L717 A721 R722 D723R715-G719 PolarHBondContact O-N 3.18Å; M716-G719 PolarHBondContact O-N 3.04Å; L717-G719 VanDerWaalsContact C-N 3.34Å; G719-A721 VanDerWaalsContact C-N 3.34Å; G719-A721 PolarHBondContact O-N 2.91Å; G719-R722 WeakPolarHBondContact O-CA 3.4Å; G719-R722 WeakPolarHBondContact O-CB 3.49Å; G719-R722 PolarHBondContact O-N 2.99Å; G719-D723 PolarHBondContact O-N 3.3Å
720L88.8Confident85.8Confident3 Ų325 Ų252%0.01611%0.113CC..Hα-helixtrans-56-45.3178.4-75.5172.5000112.3L693 A696 F697 V700 M716 R722 D723 L724L693-L720 HydrophobicContact CD2-CD2 3.9Å; A696-L720 HydrophobicContact CB-CD1 4.36Å; A696-L720 HydrophobicContact CB-CD2 3.79Å; A696-L720 HydrophobicContact CB-CG 4.42Å; F697-L720 HydrophobicContact CD1-CD1 3.99Å; F697-L720 HydrophobicContact CD2-CD1 4.13Å; F697-L720 HydrophobicContact CD2-CD2 4.01Å; F697-L720 HydrophobicContact CE1-CD1 4Å; F697-L720 HydrophobicContact CE2-CB 4.28Å; F697-L720 HydrophobicContact CE2-CD1 4.12Å; F697-L720 HydrophobicContact CE2-CD2 3.85Å; F697-L720 HydrophobicContact CE2-CG 4.31Å; F697-L720 HydrophobicContact CG-CD1 4.05Å; F697-L720 HydrophobicContact CZ-CB 4.08Å; F697-L720 HydrophobicContact CZ-CD1 4.06Å; F697-L720 HydrophobicContact CZ-CD2 4.44Å; F697-L720 HydrophobicContact CZ-CG 4.43Å; V700-L720 HydrophobicContact CG2-CD1 4.07Å; M716-L720 WeakPolarHBondContact O-CB 2.93Å; M716-L720 WeakPolarHBondContact O-CG 3.37Å; M716-L720 PolarHBondContact O-N 2.82Å; L720-R722 VanDerWaalsContact C-N 3.25Å; L720-R722 PolarHBondContact O-N 3.37Å; L720-D723 PolarHBondContact O-N 2.98Å; L720-L724 WeakPolarHBondContact O-CB 3.46Å; L720-L724 WeakPolarHBondContact O-CG 3.02Å; L720-L724 PolarHBondContact O-N 3.39Å
721A90.3Very high86.7Confident0 Ų020.1 Ų20.10%09%0.09CC..Hα-helixtrans-64.2-31.3177.800000112.4L717 G719 R725 P768 I769 L772L717-A721 VanDerWaalsContact O-CB 3.23Å; L717-A721 WeakPolarHBondContact O-CB 3.46Å; L717-A721 PolarHBondContact O-N 2.93Å; G719-A721 VanDerWaalsContact C-N 3.34Å; G719-A721 PolarHBondContact O-N 2.91Å; A721-R725 WeakPolarHBondContact O-CB 3.2Å; A721-R725 PolarHBondContact O-N 3.25Å; A721-R725 VanDerWaalsContact O-N 3.16Å; A721-P768 HydrophobicContact CB-CB 3.93Å; A721-I769 HydrophobicContact CB-CG1 3.93Å; A721-L772 HydrophobicContact CB-CD2 4.49Å
722R89.4Confident87.2Confident35 Ų3517.5 Ų17.513%0.1328%0.079CC..Hα-helixtrans-76.5-38.9176.9-71-71.8-180160.58.2112.7R664 T665 I718 G719 L720 G726 P768R664-R722 HydrophobicContact CB-CB 4.38Å; T665-R722 WeakPolarHBondContact CA-O 3.49Å; T665-R722 WeakPolarHBondContact OG1-CB 3.4Å; T665-R722 VanDerWaalsContact OG1-CD 3.27Å; T665-R722 WeakPolarHBondContact OG1-CD 3.33Å; T665-R722 PolarHBondContact OG1-O 3.22Å; I718-R722 WeakPolarHBondContact O-CB 3.41Å; I718-R722 WeakPolarHBondContact O-CG 3.37Å; I718-R722 PolarHBondContact O-N 2.71Å; I718-R722 VanDerWaalsContact O-N 3.08Å; G719-R722 WeakPolarHBondContact O-CA 3.4Å; G719-R722 WeakPolarHBondContact O-CB 3.49Å; G719-R722 PolarHBondContact O-N 2.99Å; L720-R722 VanDerWaalsContact C-N 3.25Å; L720-R722 PolarHBondContact O-N 3.37Å; R722-G726 PolarHBondContact O-N 3.46Å; R722-P768 HydrophobicContact CG-CB 4.35Å
723D90.8Very high87.7Confident1 Ų118.1 Ų18.11%0.0059%0.085CC..Hα-helixtrans-64.5-56176.4-59.9-14.8000109.8R664 Y668 L693 G719 L720 R725 G726 I727R664-D723 WeakPolarHBondContact CB-OD1 3.45Å; R664-D723 IonicContact CZ-OD1 2.61Å; R664-D723 IonicContact CZ-OD2 3.34Å; R664-D723 IonicContact NE-OD1 2.77Å; R664-D723 PolarHBondContact NE-OD1 3.33Å; R664-D723 IonicContact NE-OD2 3.32Å; R664-D723 IonicContact NH2-OD1 3.2Å; R664-D723 PolarHBondContact NH2-OD1 2.97Å; R664-D723 IonicContact NH2-OD2 2.79Å; R664-D723 PolarHBondContact NH2-OD2 3.42Å; Y668-D723 HydrophobicContact CD2-CB 3.56Å; Y668-D723 VanDerWaalsContact CD2-CG 3.49Å; Y668-D723 VanDerWaalsContact CD2-OD1 3.3Å; Y668-D723 WeakPolarHBondContact CD2-OD1 3.46Å; Y668-D723 HydrophobicContact CE2-CB 3.6Å; Y668-D723 WeakPolarHBondContact CE2-OD1 3.38Å; Y668-D723 HydrophobicContact CG-CB 4.06Å; L693-D723 HydrophobicContact CD2-CB 4.1Å; G719-D723 PolarHBondContact O-N 3.3Å; L720-D723 PolarHBondContact O-N 2.98Å; D723-R725 PolarHBondContact O-N 3.12Å; D723-G726 WeakPolarHBondContact O-CA 3.48Å; D723-G726 PolarHBondContact O-N 3.33Å; D723-I727 WeakPolarHBondContact O-CG1 3.43Å; D723-I727 PolarHBondContact O-N 3.02Å
724L91.9Very high87.9Confident0 Ų021.1 Ų21.10%010%0.098CC..Hα-helixtrans-58-35.4178.2-72.1-179.8000112.2M690 L693 F697 L720 G726 I727 A728 L740 W743 M744 L772M690-L724 HydrophobicContact CE-CD2 3.96Å; L693-L724 HydrophobicContact CD1-CD2 4.34Å; F697-L724 HydrophobicContact CE2-CD1 3.7Å; F697-L724 HydrophobicContact CE2-CG 4.39Å; F697-L724 HydrophobicContact CZ-CD1 3.59Å; L720-L724 WeakPolarHBondContact O-CB 3.46Å; L720-L724 WeakPolarHBondContact O-CG 3.02Å; L720-L724 PolarHBondContact O-N 3.39Å; L724-G726 VanDerWaalsContact C-N 3.3Å; L724-G726 PolarHBondContact O-N 3.13Å; L724-I727 HydrophobicContact CD2-CD1 4.49Å; L724-I727 PolarHBondContact O-N 3.2Å; L724-A728 WeakPolarHBondContact O-CB 3.42Å; L724-A728 PolarHBondContact O-N 3.48Å; L724-L740 HydrophobicContact CD2-CD1 4.47Å; L724-W743 HydrophobicContact CD2-CH2 4.16Å; L724-W743 HydrophobicContact CD2-CZ3 3.67Å; L724-M744 HydrophobicContact CD1-CE 3.87Å; L724-M744 HydrophobicContact CD1-SD 4.4Å; L724-L772 HydrophobicContact CB-CD1 3.8Å; L724-L772 HydrophobicContact CB-CD2 3.83Å; L724-L772 HydrophobicContact CB-CG 4.49Å; L724-L772 HydrophobicContact CD1-CD2 3.9Å
725R92.3Very high88.1Confident62 Ų6223.3 Ų23.323%0.23411%0.112CC..Hα-helixtrans-66-36.6176.6-178.8175.2176.9-113.7-7.5111.4T665 A721 D723 F729 L772 E775T665-R725 HydrophobicContact CG2-CG 4.49Å; A721-R725 WeakPolarHBondContact O-CB 3.2Å; A721-R725 PolarHBondContact O-N 3.25Å; A721-R725 VanDerWaalsContact O-N 3.16Å; D723-R725 PolarHBondContact O-N 3.12Å; R725-F729 VanDerWaalsContact O-CB 3.23Å; R725-F729 WeakPolarHBondContact O-CB 3.3Å; R725-F729 PolarHBondContact O-N 3.38Å; R725-L772 HydrophobicContact CB-CB 4.35Å; R725-L772 HydrophobicContact CB-CD1 4.16Å; R725-E775 HydrophobicContact CG-CB 4.41Å
726G89.9Confident88.3Confident0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-66.8-45.1174.500000112.1T665 T669 R722 D723 L724 F729 A730T665-G726 WeakPolarHBondContact O-CA 3.23Å; T669-G726 WeakPolarHBondContact CA-O 3.35Å; T669-G726 VanDerWaalsContact OG1-CA 3.24Å; T669-G726 WeakPolarHBondContact OG1-CA 3.47Å; T669-G726 PolarHBondContact OG1-O 3.49Å; R722-G726 PolarHBondContact O-N 3.46Å; D723-G726 WeakPolarHBondContact O-CA 3.48Å; D723-G726 PolarHBondContact O-N 3.33Å; L724-G726 VanDerWaalsContact C-N 3.3Å; L724-G726 PolarHBondContact O-N 3.13Å; G726-F729 WeakPolarHBondContact O-CB 3.44Å; G726-F729 PolarHBondContact O-N 3.19Å; G726-F729 VanDerWaalsContact O-N 3.15Å; G726-A730 PolarHBondContact O-N 3.17Å; G726-A730 VanDerWaalsContact O-N 3.13Å
727I92.7Very high88.5Confident0 Ų020.3 Ų20.30%010%0.1CC..Hα-helixtrans-59.9-55.8176.3-61.1172.6000110.1Y668 T672 F689 M690 L693 D723 L724 F729 A730 L731 L740Y668-I727 HydrophobicContact CD1-CD1 3.93Å; Y668-I727 HydrophobicContact CD1-CG1 3.96Å; Y668-I727 HydrophobicContact CE1-CD1 4.42Å; Y668-I727 HydrophobicContact CG-CG1 4.34Å; T672-I727 HydrophobicContact CG2-CG2 4.06Å; T672-I727 WeakPolarHBondContact OG1-CA 3.42Å; T672-I727 WeakPolarHBondContact OG1-CG1 3.49Å; F689-I727 HydrophobicContact CE1-CD1 4.22Å; M690-I727 HydrophobicContact CE-CD1 4.32Å; M690-I727 HydrophobicContact SD-CD1 3.87Å; L693-I727 HydrophobicContact CD1-CD1 3.47Å; L693-I727 VanDerWaalsContact CD1-CD1 3.47Å; D723-I727 WeakPolarHBondContact O-CG1 3.43Å; D723-I727 PolarHBondContact O-N 3.02Å; L724-I727 HydrophobicContact CD2-CD1 4.49Å; L724-I727 PolarHBondContact O-N 3.2Å; I727-F729 PolarHBondContact O-N 3.07Å; I727-F729 VanDerWaalsContact O-N 3.13Å; I727-A730 PolarHBondContact O-N 2.82Å; I727-L731 HydrophobicContact CG2-CD1 3.77Å; I727-L731 HydrophobicContact CG2-CG 4.36Å; I727-L731 WeakPolarHBondContact O-CG 3.44Å; I727-L731 PolarHBondContact O-N 2.86Å; I727-L731 VanDerWaalsContact O-N 3.15Å; I727-L740 HydrophobicContact CG2-CD1 4.27Å; I727-L740 HydrophobicContact CG2-CD2 4.47Å
728A90.6Very high88.6Confident0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-57.6-3017600000112L724 L740 L772 E775 L776 R783L724-A728 WeakPolarHBondContact O-CB 3.42Å; L724-A728 PolarHBondContact O-N 3.48Å; A728-L740 HydrophobicContact CB-CD2 3.87Å; A728-L772 HydrophobicContact CB-CD1 4.42Å; A728-E775 HydrophobicContact CB-CG 4.22Å; A728-L776 HydrophobicContact CB-CD2 3.93Å; A728-R783 PolarHBondContact O-NH1 3.25Å
729F90.6Very high88.7Confident71 Ų7122 Ų2231%0.31111%0.11SC..Hα-helixtrans-70.8-36.6177.4-175.9-97.4000112.8T669 R725 G726 I727 E775 R780T669-F729 HydrophobicContact CG2-CD1 3.66Å; T669-F729 HydrophobicContact CG2-CE1 4.27Å; R725-F729 VanDerWaalsContact O-CB 3.23Å; R725-F729 WeakPolarHBondContact O-CB 3.3Å; R725-F729 PolarHBondContact O-N 3.38Å; G726-F729 WeakPolarHBondContact O-CB 3.44Å; G726-F729 PolarHBondContact O-N 3.19Å; G726-F729 VanDerWaalsContact O-N 3.15Å; I727-F729 PolarHBondContact O-N 3.07Å; I727-F729 VanDerWaalsContact O-N 3.13Å; F729-E775 HydrophobicContact CB-CG 4.5Å; F729-R780 VanDerWaalsContact CD2-CZ 3.42Å; F729-R780 VanDerWaalsContact CE2-NH1 3.3Å; F729-R780 VanDerWaalsContact O-CZ 3.32Å; F729-R780 PolarHBondContact O-NH1 3.35Å; F729-R780 PolarHBondContact O-NH2 2.94Å
730A88.4Confident88.9Confident1 Ų122 Ų221%0.00811%0.11CC..Hα-helixtrans-76.4-34.5-178.800000113.5T672 R673 G726 I727 N732T672-A730 HydrophobicContact CG2-CB 3.61Å; R673-A730 HydrophobicContact CG-CB 3.84Å; G726-A730 PolarHBondContact O-N 3.17Å; G726-A730 VanDerWaalsContact O-N 3.13Å; I727-A730 PolarHBondContact O-N 2.82Å; A730-N732 PolarHBondContact O-N 3.33Å; A730-N732 VanDerWaalsContact O-N 3.09Å; A730-N732 PolarHBondContact O-ND2 3.5Å
731L88.9Confident88.8Confident0 Ų022.2 Ų22.20%011%0.111CC..  trans-71.7100.9-177.9-59.7169.9000111.7T672 M676 I727 L740 R783T672-L731 HydrophobicContact CG2-CD2 3.69Å; T672-L731 HydrophobicContact CG2-CG 3.91Å; M676-L731 HydrophobicContact CG-CD2 4.04Å; M676-L731 HydrophobicContact SD-CD2 3.98Å; I727-L731 HydrophobicContact CG2-CD1 3.77Å; I727-L731 HydrophobicContact CG2-CG 4.36Å; I727-L731 WeakPolarHBondContact O-CG 3.44Å; I727-L731 PolarHBondContact O-N 2.86Å; I727-L731 VanDerWaalsContact O-N 3.15Å; L731-L740 HydrophobicContact CD1-CB 3.67Å; L731-L740 HydrophobicContact CD1-CD2 3.66Å; L731-L740 HydrophobicContact CD1-CG 4.16Å; L731-R783 VanDerWaalsContact O-CD 3.29Å; L731-R783 WeakPolarHBondContact O-CD 3.28Å; L731-R783 PolarHBondContact O-NH1 2.92Å
732N85.8Confident88.7Confident49 Ų4926.3 Ų26.326%0.26213%0.132SC..  trans-111.6-3.5-177.4-65.6-56.5000114.1A730 R780 R783A730-N732 PolarHBondContact O-N 3.33Å; A730-N732 VanDerWaalsContact O-N 3.09Å; A730-N732 PolarHBondContact O-ND2 3.5Å; N732-R780 PolarHBondContact OD1-NH1 3.43Å; N732-R783 WeakPolarHBondContact O-CB 3.27Å
733T85.3Confident88.8Confident69 Ų6926.2 Ų26.242%0.42313%0.132SC..SBendtrans-99.2154.2176.764.10000110.7M676 S736 Y737M676-T733 HydrophobicContact CE-CG2 3.88Å; T733-S736 PolarHBondContact O-OG 3.25Å; T733-S736 WeakPolarHBondContact OG1-CB 3.32Å; T733-S736 PolarHBondContact OG1-OG 3.43Å; T733-Y737 WeakPolarHBondContact O-CB 3.4Å; T733-Y737 PolarHBondContact O-N 3.37Å; T733-Y737 VanDerWaalsContact O-N 3.11Å
734K86.1Confident88.6Confident67 Ų6726.3 Ų26.329%0.29113%0.133SC..Hα-helixtrans-56.3-54177.2-179.4-169.1171.7-166.30111.4S736 Y737 T738 N785 D787K734-S736 PolarHBondContact O-N 3.05Å; K734-Y737 PolarHBondContact O-N 2.93Å; K734-T738 PolarHBondContact O-N 3.48Å; K734-T738 PolarHBondContact O-OG1 3.24Å; K734-N785 WeakPolarHBondContact CD-O 3.41Å; K734-N785 WeakPolarHBondContact CE-O 2.83Å; K734-D787 IonicContact NZ-OD1 2.85Å; K734-D787 PolarHBondContact NZ-OD1 3Å; K734-D787 IonicContact NZ-OD2 3.89Å; K734-D787 PolarHBondContact NZ-OD2 3.45Å
735T84.9Confident88.3Confident56 Ų5629.5 Ų29.534%0.34415%0.145SC..Hα-helixtrans-58.8-50.4-175.4-46.30000112.3E681 Y737 T738 M739E681-T735 HydrophobicContact CG-CG2 4.21Å; T735-Y737 VanDerWaalsContact C-N 3.33Å; T735-Y737 PolarHBondContact O-N 2.79Å; T735-T738 WeakPolarHBondContact O-CB 3.4Å; T735-T738 PolarHBondContact O-N 2.79Å; T735-T738 VanDerWaalsContact O-N 3.17Å; T735-M739 HydrophobicContact CG2-CE 4.04Å; T735-M739 WeakPolarHBondContact O-CG 3.44Å; T735-M739 PolarHBondContact O-N 3.47Å
736S85.8Confident87.9Confident2 Ų230.3 Ų30.31%0.01416%0.158CC..Hα-helixtrans-68.4-31.3-17871.40000113.1M676 T733 K734 L740M676-S736 WeakPolarHBondContact CE-OG 3.28Å; T733-S736 PolarHBondContact O-OG 3.25Å; T733-S736 WeakPolarHBondContact OG1-CB 3.32Å; T733-S736 PolarHBondContact OG1-OG 3.43Å; K734-S736 PolarHBondContact O-N 3.05Å; S736-L740 PolarHBondContact O-N 2.93Å
737Y88.1Confident87.6Confident1 Ų134.3 Ų34.30%0.00418%0.183CC..Hα-helixtrans-69.9-40.2171.9-175.2-82000111.8T733 K734 T735 L740 F741 L776 R783 L784 F786 L796T733-Y737 WeakPolarHBondContact O-CB 3.4Å; T733-Y737 PolarHBondContact O-N 3.37Å; T733-Y737 VanDerWaalsContact O-N 3.11Å; K734-Y737 PolarHBondContact O-N 2.93Å; T735-Y737 VanDerWaalsContact C-N 3.33Å; T735-Y737 PolarHBondContact O-N 2.79Å; Y737-L740 PolarHBondContact O-N 3.15Å; Y737-F741 HydrophobicContact CE1-CB 4.22Å; Y737-F741 PolarHBondContact O-N 2.92Å; Y737-L776 HydrophobicContact CE2-CD2 4.38Å; Y737-L776 PolarHBondContact OH-O 2.87Å; Y737-R783 HydrophobicContact CD2-CG 4.25Å; Y737-R783 HydrophobicContact CG-CG 4.49Å; Y737-L784 HydrophobicContact CD1-CD2 3.8Å; Y737-L784 HydrophobicContact CD2-CD2 4.32Å; Y737-L784 HydrophobicContact CE1-CD2 3.27Å; Y737-L784 HydrophobicContact CE2-CD2 3.81Å; Y737-L784 HydrophobicContact CG-CD2 4.31Å; Y737-L784 WeakPolarHBondContact OH-CD2 3.43Å; Y737-F786 HydrophobicContact CD1-CE1 4.44Å; Y737-F786 HydrophobicContact CD1-CZ 4.26Å; Y737-F786 AromaticContact CE1-CZ 3.97Å; Y737-F786 HydrophobicContact CE1-CZ 3.97Å; Y737-L796 WeakPolarHBondContact OH-CD2 3.39Å
738T87.6Confident87.3Confident33 Ų3335.6 Ų35.620%0.20219%0.188CC..Hα-helixtrans-59.8-45.6176.1-59.80000111.1K734 T735 L740 F741 D742K734-T738 PolarHBondContact O-N 3.48Å; K734-T738 PolarHBondContact O-OG1 3.24Å; T735-T738 WeakPolarHBondContact O-CB 3.4Å; T735-T738 PolarHBondContact O-N 2.79Å; T735-T738 VanDerWaalsContact O-N 3.17Å; T738-L740 VanDerWaalsContact C-N 3.33Å; T738-L740 PolarHBondContact O-N 3.35Å; T738-F741 PolarHBondContact O-N 3.01Å; T738-D742 VanDerWaalsContact CG2-OD2 3.31Å; T738-D742 WeakPolarHBondContact CG2-OD2 3.17Å; T738-D742 WeakPolarHBondContact O-CB 3.22Å; T738-D742 VanDerWaalsContact O-CG 3.31Å; T738-D742 PolarHBondContact O-N 2.67Å
739M88.3Confident87.1Confident13 Ų1335.7 Ų35.76%0.06419%0.189CC..Hα-helixtrans-54.9-45.6174.5-67.5163.6167.400112.3L679 E683 F686 T735 W743L679-M739 HydrophobicContact CD2-SD 4.42Å; E683-M739 HydrophobicContact CG-CE 3.67Å; E683-M739 HydrophobicContact CG-CG 4.31Å; F686-M739 HydrophobicContact CB-SD 4.45Å; F686-M739 HydrophobicContact CD1-CB 3.87Å; F686-M739 HydrophobicContact CE1-CB 3.92Å; F686-M739 HydrophobicContact CG-CB 4.2Å; F686-M739 HydrophobicContact CG-SD 4.5Å; F686-M739 HydrophobicContact CZ-CB 4.31Å; T735-M739 HydrophobicContact CG2-CE 4.04Å; T735-M739 WeakPolarHBondContact O-CG 3.44Å; T735-M739 PolarHBondContact O-N 3.47Å; M739-W743 WeakPolarHBondContact O-CB 3.35Å; M739-W743 PolarHBondContact O-N 2.94Å
740L89.8Confident87Confident0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-64.1-42.6175.8177.667.2000111.9F686 M690 L724 I727 A728 L731 S736 Y737 T738 W743 M744 L776F686-L740 HydrophobicContact CZ-CB 4.02Å; F686-L740 HydrophobicContact CZ-CD1 4.25Å; M690-L740 HydrophobicContact CE-CD1 4.03Å; L724-L740 HydrophobicContact CD2-CD1 4.47Å; I727-L740 HydrophobicContact CG2-CD1 4.27Å; I727-L740 HydrophobicContact CG2-CD2 4.47Å; A728-L740 HydrophobicContact CB-CD2 3.87Å; L731-L740 HydrophobicContact CD1-CB 3.67Å; L731-L740 HydrophobicContact CD1-CD2 3.66Å; L731-L740 HydrophobicContact CD1-CG 4.16Å; S736-L740 PolarHBondContact O-N 2.93Å; Y737-L740 PolarHBondContact O-N 3.15Å; T738-L740 VanDerWaalsContact C-N 3.33Å; T738-L740 PolarHBondContact O-N 3.35Å; L740-W743 HydrophobicContact CD1-CE3 4.32Å; L740-W743 PolarHBondContact O-N 3.32Å; L740-M744 HydrophobicContact CD1-CG 4.14Å; L740-M744 HydrophobicContact CD1-SD 4.21Å; L740-M744 HydrophobicContact CG-CG 4.41Å; L740-M744 HydrophobicContact CG-SD 4.25Å; L740-M744 WeakPolarHBondContact O-CB 3.37Å; L740-M744 VanDerWaalsContact O-CG 3.31Å; L740-M744 WeakPolarHBondContact O-CG 3.47Å; L740-M744 PolarHBondContact O-N 3.43Å; L740-L776 HydrophobicContact CD2-CD2 4.18Å
741F88.5Confident86.9Confident6 Ų635 Ų353%0.02619%0.19CC..Hα-helixtrans-64.8-44.3-178.9-177-99.8000111.6Y737 T738 W743 M744 Y745 N792 L795 L796Y737-F741 HydrophobicContact CE1-CB 4.22Å; Y737-F741 PolarHBondContact O-N 2.92Å; T738-F741 PolarHBondContact O-N 3.01Å; F741-W743 VanDerWaalsContact C-N 3.32Å; F741-W743 PolarHBondContact O-N 2.94Å; F741-M744 PolarHBondContact O-N 2.98Å; F741-M744 VanDerWaalsContact O-N 3.17Å; F741-Y745 HydrophobicContact CE1-CD1 4.49Å; F741-Y745 HydrophobicContact CE1-CG 4.4Å; F741-Y745 HydrophobicContact CZ-CG 4.15Å; F741-Y745 WeakPolarHBondContact O-CB 3.42Å; F741-Y745 PolarHBondContact O-N 3.31Å; F741-N792 HydrophobicContact CD1-CB 3.97Å; F741-N792 HydrophobicContact CE1-CB 3.7Å; F741-N792 HydrophobicContact CZ-CB 4.49Å; F741-L795 HydrophobicContact CZ-CB 4.02Å; F741-L796 HydrophobicContact CD2-CD1 4.24Å; F741-L796 HydrophobicContact CE2-CB 3.78Å; F741-L796 HydrophobicContact CE2-CD1 3.89Å; F741-L796 HydrophobicContact CE2-CG 4.39Å; F741-L796 HydrophobicContact CZ-CB 4.23Å
742D88.1Confident86.9Confident86 Ų8635.1 Ų35.146%0.4619%0.191SC..Hα-helixtrans-68.3-31.9179.4-65.1-19.2000111.5T738 N792T738-D742 VanDerWaalsContact CG2-OD2 3.31Å; T738-D742 WeakPolarHBondContact CG2-OD2 3.17Å; T738-D742 WeakPolarHBondContact O-CB 3.22Å; T738-D742 VanDerWaalsContact O-CG 3.31Å; T738-D742 PolarHBondContact O-N 2.67Å; D742-N792 PolarHBondContact OD1-ND2 3Å
743W90.4Very high86.9Confident34 Ų3433 Ų3313%0.12918%0.179CC..Hα-helixtrans-69-38.417017988.5000112.6F686 M690 L693 T694 F697 L724 M739 L740 F741 Y748F686-W743 HydrophobicContact CE1-CB 4.2Å; M690-W743 HydrophobicContact CB-CZ2 4.37Å; M690-W743 HydrophobicContact CE-CD2 3.63Å; M690-W743 HydrophobicContact CE-CE3 3.42Å; M690-W743 VanDerWaalsContact CE-CE3 3.42Å; M690-W743 HydrophobicContact CE-CG 4.47Å; M690-W743 HydrophobicContact CE-CH2 3.55Å; M690-W743 HydrophobicContact CE-CZ2 3.73Å; M690-W743 HydrophobicContact CE-CZ3 3.4Å; L693-W743 HydrophobicContact CB-CH2 4.17Å; L693-W743 HydrophobicContact CB-CZ2 4.24Å; T694-W743 PolarHBondContact OG1-NE1 3.02Å; T694-W743 VanDerWaalsContact OG1-NE1 3.13Å; F697-W743 AromaticContact CD2-CH2 3.77Å; F697-W743 HydrophobicContact CD2-CH2 3.77Å; F697-W743 HydrophobicContact CD2-CZ2 4.48Å; F697-W743 AromaticContact CE2-CH2 3.81Å; F697-W743 HydrophobicContact CE2-CH2 3.81Å; F697-W743 HydrophobicContact CE2-CZ3 4.33Å; L724-W743 HydrophobicContact CD2-CH2 4.16Å; L724-W743 HydrophobicContact CD2-CZ3 3.67Å; M739-W743 WeakPolarHBondContact O-CB 3.35Å; M739-W743 PolarHBondContact O-N 2.94Å; L740-W743 HydrophobicContact CD1-CE3 4.32Å; L740-W743 PolarHBondContact O-N 3.32Å; F741-W743 VanDerWaalsContact C-N 3.32Å; F741-W743 PolarHBondContact O-N 2.94Å; W743-Y748 HydrophobicContact CD2-CD2 4.3Å; W743-Y748 HydrophobicContact CD2-CE2 4.13Å; W743-Y748 AromaticContact CE2-CE2 3.8Å; W743-Y748 HydrophobicContact CE3-CD2 4.18Å; W743-Y748 HydrophobicContact CE3-CE2 4.46Å; W743-Y748 HydrophobicContact CH2-CD2 4.07Å; W743-Y748 HydrophobicContact CH2-CE2 4.21Å; W743-Y748 HydrophobicContact CZ2-CD2 4.19Å; W743-Y748 AromaticContact CZ2-CE2 3.86Å; W743-Y748 HydrophobicContact CZ2-CE2 3.86Å; W743-Y748 HydrophobicContact CZ3-CD2 4.05Å; W743-Y748 HydrophobicContact CZ3-CE2 4.49Å; W743-Y748 VanDerWaalsContact O-CD2 3.23Å; W743-Y748 WeakPolarHBondContact O-CD2 3.49Å; W743-Y748 VanDerWaalsContact O-CE2 3.31Å; W743-Y748 WeakPolarHBondContact O-CE2 3.31Å
744M87.6Confident86.9Confident2 Ų232.8 Ų32.81%0.0118%0.176CC..Hα-helixtrans-78.4-41.4-177-75.9-165.771.400114.1L724 L740 F741 Y748 L749 L752 L772 L776L724-M744 HydrophobicContact CD1-CE 3.87Å; L724-M744 HydrophobicContact CD1-SD 4.4Å; L740-M744 HydrophobicContact CD1-CG 4.14Å; L740-M744 HydrophobicContact CD1-SD 4.21Å; L740-M744 HydrophobicContact CG-CG 4.41Å; L740-M744 HydrophobicContact CG-SD 4.25Å; L740-M744 WeakPolarHBondContact O-CB 3.37Å; L740-M744 VanDerWaalsContact O-CG 3.31Å; L740-M744 WeakPolarHBondContact O-CG 3.47Å; L740-M744 PolarHBondContact O-N 3.43Å; F741-M744 PolarHBondContact O-N 2.98Å; F741-M744 VanDerWaalsContact O-N 3.17Å; M744-Y748 PolarHBondContact O-N 3.42Å; M744-L749 HydrophobicContact CB-CG 4.42Å; M744-L749 HydrophobicContact CE-CD2 3.61Å; M744-L749 HydrophobicContact CE-CG 4.26Å; M744-L749 PolarHBondContact O-N 3.01Å; M744-L752 HydrophobicContact CE-CD1 4.29Å; M744-L772 HydrophobicContact CE-CD2 4.47Å; M744-L776 HydrophobicContact CE-CD1 4.13Å; M744-L776 HydrophobicContact SD-CD1 4.14Å; M744-L776 HydrophobicContact SD-CD2 4.27Å
745Y85.4Confident86.9Confident67 Ų6729.6 Ų29.626%0.26316%0.162SC..THydrogen-bonded Turntrans-101.1131.2-175.8179.6-88.3000110.1F741 L749 L795 E799F741-Y745 HydrophobicContact CE1-CD1 4.49Å; F741-Y745 HydrophobicContact CE1-CG 4.4Å; F741-Y745 HydrophobicContact CZ-CG 4.15Å; F741-Y745 WeakPolarHBondContact O-CB 3.42Å; F741-Y745 PolarHBondContact O-N 3.31Å; Y745-L749 HydrophobicContact CD2-CD1 4.11Å; Y745-L795 HydrophobicContact CD1-CD1 4.43Å; Y745-L795 HydrophobicContact CE1-CD1 3.8Å; Y745-E799 HydrophobicContact CD2-CG 4.06Å; Y745-E799 HydrophobicContact CE2-CG 4.01Å
746P83.3Confident87Confident79 Ų7927 Ų2751%0.51315%0.146SC..THydrogen-bonded Turncis-99-5.810.836.2-34.8000115P750P746-P750 WeakPolarHBondContact O-CD 3.31Å; P746-P750 VanDerWaalsContact O-CG 3.22Å; P746-P750 WeakPolarHBondContact O-CG 3.49Å
747T83.9Confident87Confident85 Ų8531.6 Ų31.652%0.52117%0.168SC..THydrogen-bonded Turntrans-78.5-41-161.2-50.20000114.3
748Y86.4Confident86.9Confident26 Ų2637.5 Ų37.510%0.10219%0.19CC..THydrogen-bonded Turntrans-98-28.5-168.1-55.2-54.2000114.2T694 F697 W743 M744 I751 L752T694-Y748 WeakPolarHBondContact CG2-OH 3.38Å; F697-Y748 HydrophobicContact CB-CD1 3.56Å; F697-Y748 HydrophobicContact CB-CE1 3.61Å; F697-Y748 HydrophobicContact CB-CG 4.38Å; F697-Y748 AromaticContact CD1-CD1 3.95Å; F697-Y748 HydrophobicContact CD1-CD1 3.95Å; F697-Y748 HydrophobicContact CD1-CG 4.27Å; F697-Y748 HydrophobicContact CD2-CD1 4.33Å; F697-Y748 HydrophobicContact CD2-CG 4.35Å; F697-Y748 AromaticContact CG-CD1 3.69Å; F697-Y748 HydrophobicContact CG-CD1 3.69Å; F697-Y748 HydrophobicContact CG-CE1 4.21Å; F697-Y748 HydrophobicContact CG-CG 4.08Å; W743-Y748 HydrophobicContact CD2-CD2 4.3Å; W743-Y748 HydrophobicContact CD2-CE2 4.13Å; W743-Y748 AromaticContact CE2-CE2 3.8Å; W743-Y748 HydrophobicContact CE3-CD2 4.18Å; W743-Y748 HydrophobicContact CE3-CE2 4.46Å; W743-Y748 HydrophobicContact CH2-CD2 4.07Å; W743-Y748 HydrophobicContact CH2-CE2 4.21Å; W743-Y748 HydrophobicContact CZ2-CD2 4.19Å; W743-Y748 AromaticContact CZ2-CE2 3.86Å; W743-Y748 HydrophobicContact CZ2-CE2 3.86Å; W743-Y748 HydrophobicContact CZ3-CD2 4.05Å; W743-Y748 HydrophobicContact CZ3-CE2 4.49Å; W743-Y748 VanDerWaalsContact O-CD2 3.23Å; W743-Y748 WeakPolarHBondContact O-CD2 3.49Å; W743-Y748 VanDerWaalsContact O-CE2 3.31Å; W743-Y748 WeakPolarHBondContact O-CE2 3.31Å; M744-Y748 PolarHBondContact O-N 3.42Å; Y748-I751 HydrophobicContact CD1-CD1 4.11Å; Y748-I751 WeakPolarHBondContact O-CB 3.39Å; Y748-I751 PolarHBondContact O-N 3.38Å; Y748-I751 VanDerWaalsContact O-N 3.16Å; Y748-L752 PolarHBondContact O-N 3.33Å
749L86.4Confident86.7Confident3 Ų337 Ų372%0.01618%0.184CC..Hα-helixtrans-58.4-40.2176.3-73.8173.7000114M744 Y745 I751 L752 Q753 M773 E799M744-L749 HydrophobicContact CB-CG 4.42Å; M744-L749 HydrophobicContact CE-CD2 3.61Å; M744-L749 HydrophobicContact CE-CG 4.26Å; M744-L749 PolarHBondContact O-N 3.01Å; Y745-L749 HydrophobicContact CD2-CD1 4.11Å; L749-I751 VanDerWaalsContact C-N 3.28Å; L749-I751 PolarHBondContact O-N 2.65Å; L749-L752 HydrophobicContact CD2-CD1 4.46Å; L749-L752 PolarHBondContact O-N 3Å; L749-Q753 PolarHBondContact O-N 2.88Å; L749-Q753 VanDerWaalsContact O-N 3.13Å; L749-M773 HydrophobicContact CD2-CE 4.24Å; L749-E799 HydrophobicContact CD1-CB 4.27Å; L749-E799 HydrophobicContact CD1-CG 4.16Å
750P88.3Confident86.4Confident47 Ų4739.9 Ų39.931%0.30520%0.195SC..Hα-helixtrans-61.6-31.9175-2636.2000113.9P746 L752 Q753 N754P746-P750 WeakPolarHBondContact O-CD 3.31Å; P746-P750 VanDerWaalsContact O-CG 3.22Å; P746-P750 WeakPolarHBondContact O-CG 3.49Å; P750-L752 VanDerWaalsContact C-N 3.34Å; P750-L752 PolarHBondContact O-N 3.16Å; P750-Q753 WeakPolarHBondContact O-CB 3.39Å; P750-Q753 PolarHBondContact O-N 3.36Å; P750-N754 VanDerWaalsContact O-CG 3.28Å; P750-N754 PolarHBondContact O-N 3.04Å
751I86.6Confident85.9Confident9 Ų941.6 Ų41.65%0.04621%0.212CC..Hα-helixtrans-63.4-44.2177.3-55.6175.4000109.8F697 V700 L701 L717 Y748 L749 Q753 N754 A755F697-I751 HydrophobicContact CD1-CD1 4.1Å; V700-I751 HydrophobicContact CG1-CG2 3.98Å; L701-I751 HydrophobicContact CB-CD1 4.4Å; L701-I751 HydrophobicContact CD1-CD1 3.69Å; L701-I751 HydrophobicContact CD1-CG1 3.98Å; L717-I751 HydrophobicContact CD2-CG2 4.24Å; Y748-I751 HydrophobicContact CD1-CD1 4.11Å; Y748-I751 WeakPolarHBondContact O-CB 3.39Å; Y748-I751 PolarHBondContact O-N 3.38Å; Y748-I751 VanDerWaalsContact O-N 3.16Å; L749-I751 VanDerWaalsContact C-N 3.28Å; L749-I751 PolarHBondContact O-N 2.65Å; I751-Q753 VanDerWaalsContact C-N 3.32Å; I751-Q753 PolarHBondContact O-N 3.41Å; I751-N754 PolarHBondContact O-N 3.4Å; I751-A755 PolarHBondContact O-N 3.31Å
752L87.7Confident85.7Confident3 Ų345 Ų452%0.01623%0.228CC..Hα-helixtrans-65-35.9176.8-62.1178.7000112F697 L717 M744 Y748 L749 P750 A755 V756 I769 L772 M803F697-L752 HydrophobicContact CE1-CD2 4.32Å; L717-L752 HydrophobicContact CD2-CD2 4.22Å; M744-L752 HydrophobicContact CE-CD1 4.29Å; Y748-L752 PolarHBondContact O-N 3.33Å; L749-L752 HydrophobicContact CD2-CD1 4.46Å; L749-L752 PolarHBondContact O-N 3Å; P750-L752 VanDerWaalsContact C-N 3.34Å; P750-L752 PolarHBondContact O-N 3.16Å; L752-A755 PolarHBondContact O-N 3.2Å; L752-V756 WeakPolarHBondContact O-CG2 3.46Å; L752-V756 PolarHBondContact O-N 3Å; L752-V756 VanDerWaalsContact O-N 3.12Å; L752-I769 HydrophobicContact CB-CG2 3.97Å; L752-I769 HydrophobicContact CD2-CD1 4.47Å; L752-I769 HydrophobicContact CD2-CG1 4.36Å; L752-I769 HydrophobicContact CD2-CG2 4.46Å; L752-L772 HydrophobicContact CD1-CD2 3.86Å; L752-M803 HydrophobicContact CB-CE 4Å
753Q86.4Confident85.4Confident4 Ų441.9 Ų41.92%0.01921%0.213CC..Hα-helixtrans-64.8-48175.4-71.8175.2-5.700111.6L749 P750 I751 A755 V756 E757 E799 M803L749-Q753 PolarHBondContact O-N 2.88Å; L749-Q753 VanDerWaalsContact O-N 3.13Å; P750-Q753 WeakPolarHBondContact O-CB 3.39Å; P750-Q753 PolarHBondContact O-N 3.36Å; I751-Q753 VanDerWaalsContact C-N 3.32Å; I751-Q753 PolarHBondContact O-N 3.41Å; Q753-A755 PolarHBondContact O-N 3Å; Q753-V756 PolarHBondContact O-N 2.92Å; Q753-V756 VanDerWaalsContact O-N 3.14Å; Q753-E757 PolarHBondContact O-N 3.44Å; Q753-E799 PolarHBondContact NE2-O 2.85Å; Q753-E799 PolarHBondContact NE2-OE2 2.91Å; Q753-M803 HydrophobicContact CB-CE 4.23Å; Q753-M803 HydrophobicContact CB-SD 4.41Å; Q753-M803 HydrophobicContact CG-CE 3.44Å; Q753-M803 VanDerWaalsContact CG-CE 3.44Å; Q753-M803 HydrophobicContact CG-SD 3.92Å
754N85.6Confident84.9Confident65 Ų6542.7 Ų42.735%0.34823%0.226SC..Hα-helixtrans-61.2-34177.4-67.1-13.7000111.7F704 P750 I751 E757 R758F704-N754 HydrophobicContact CE1-CB 3.72Å; F704-N754 HydrophobicContact CZ-CB 3.66Å; P750-N754 VanDerWaalsContact O-CG 3.28Å; P750-N754 PolarHBondContact O-N 3.04Å; I751-N754 PolarHBondContact O-N 3.4Å; N754-E757 PolarHBondContact O-N 3.07Å; N754-R758 WeakPolarHBondContact O-CG 3.47Å; N754-R758 PolarHBondContact O-N 3.13Å
755A85.9Confident84.8Confident1 Ų142.7 Ų42.71%0.00823%0.226CC..Hα-helixtrans-65.6-43.4175.200000112.3L717 I751 L752 Q753 E757 R758 W759 I769L717-A755 HydrophobicContact CD1-CB 3.74Å; I751-A755 PolarHBondContact O-N 3.31Å; L752-A755 PolarHBondContact O-N 3.2Å; Q753-A755 PolarHBondContact O-N 3Å; A755-E757 VanDerWaalsContact C-N 3.32Å; A755-R758 PolarHBondContact O-N 3.15Å; A755-W759 HydrophobicContact CB-CE3 3.91Å; A755-W759 HydrophobicContact CB-CZ3 3.77Å; A755-W759 PolarHBondContact O-N 3.03Å; A755-I769 HydrophobicContact CB-CD1 3.91Å
756V86.8Confident84.9Confident0 Ų039.5 Ų39.50%021%0.214CC..Hα-helixtrans-65.8-37.81761720000111.2L752 Q753 Y760 I769 M803 Y807L752-V756 WeakPolarHBondContact O-CG2 3.46Å; L752-V756 PolarHBondContact O-N 3Å; L752-V756 VanDerWaalsContact O-N 3.12Å; Q753-V756 PolarHBondContact O-N 2.92Å; Q753-V756 VanDerWaalsContact O-N 3.14Å; V756-Y760 PolarHBondContact O-N 2.8Å; V756-I769 HydrophobicContact CG2-CB 4.12Å; V756-I769 HydrophobicContact CG2-CD1 4.16Å; V756-I769 HydrophobicContact CG2-CG2 3.71Å; V756-M803 HydrophobicContact CB-SD 3.87Å; V756-M803 HydrophobicContact CG1-SD 4.23Å; V756-M803 HydrophobicContact CG2-SD 3.63Å; V756-Y807 HydrophobicContact CG1-CD2 3.95Å; V756-Y807 HydrophobicContact CG1-CG 4.37Å
757E86.7Confident85.1Confident100 Ų10036 Ų3647%0.46719%0.191SC..Hα-helixtrans-65-38.1177.3-164.9-177.5-178.600112.9Q753 N754 A755 T806 Q810Q753-E757 PolarHBondContact O-N 3.44Å; N754-E757 PolarHBondContact O-N 3.07Å; A755-E757 VanDerWaalsContact C-N 3.32Å; E757-T806 HydrophobicContact CB-CG2 3.86Å; E757-T806 HydrophobicContact CG-CG2 3.98Å; E757-Q810 PolarHBondContact O-NE2 3.13Å; E757-Q810 PolarHBondContact O-OE1 3.15Å; E757-Q810 VanDerWaalsContact O-OE1 3.05Å
758R84.4Confident85.4Confident124 Ų12432.1 Ų32.147%0.46817%0.167SC..Hα-helixtrans-81.8-34.5-178.4-71.7-174.5-174-175.6-0.1113.7F704 N754 A755F704-R758 VanDerWaalsContact CE1-NH2 3.26Å; F704-R758 VanDerWaalsContact CZ-CD 3.49Å; F704-R758 HydrophobicContact CZ-CG 4.45Å; N754-R758 WeakPolarHBondContact O-CG 3.47Å; N754-R758 PolarHBondContact O-N 3.13Å; A755-R758 PolarHBondContact O-N 3.15Å
759W85.2Confident85.6Confident22 Ų2230.9 Ų30.98%0.08316%0.163CC..  trans-119.432.2-171.6-58.6-58000114F704 V713 K714 L717 A755 G761 E762 T766F704-W759 HydrophobicContact CD2-CH2 4.36Å; F704-W759 AromaticContact CE2-CH2 3.78Å; F704-W759 HydrophobicContact CE2-CH2 3.78Å; F704-W759 HydrophobicContact CE2-CZ3 4Å; V713-W759 HydrophobicContact CG1-CH2 3.84Å; K714-W759 HydrophobicContact CG-CD2 3.98Å; K714-W759 HydrophobicContact CG-CE3 4.27Å; K714-W759 HydrophobicContact CG-CH2 4.22Å; K714-W759 HydrophobicContact CG-CZ2 3.91Å; K714-W759 HydrophobicContact CG-CZ3 4.41Å; L717-W759 HydrophobicContact CD1-CE3 4.49Å; L717-W759 HydrophobicContact CD1-CH2 4.1Å; L717-W759 HydrophobicContact CD1-CZ3 3.49Å; L717-W759 VanDerWaalsContact CD1-CZ3 3.49Å; A755-W759 HydrophobicContact CB-CE3 3.91Å; A755-W759 HydrophobicContact CB-CZ3 3.77Å; A755-W759 PolarHBondContact O-N 3.03Å; W759-G761 PolarHBondContact O-N 3.13Å; W759-G761 VanDerWaalsContact O-N 3.12Å; W759-E762 PolarHBondContact O-N 2.92Å; W759-T766 WeakPolarHBondContact O-CG2 3.47Å
760Y80.9Confident85.8Confident75 Ų7531 Ų3129%0.29416%0.163SC..THydrogen-bonded Turntrans-54.1-33-179.466.8-90000114.2V756 E762 Q810 L814V756-Y760 PolarHBondContact O-N 2.8Å; Y760-E762 VanDerWaalsContact C-N 3.28Å; Y760-E762 PolarHBondContact O-N 2.66Å; Y760-Q810 HydrophobicContact CD1-CB 4Å; Y760-Q810 HydrophobicContact CD1-CG 4.39Å; Y760-Q810 VanDerWaalsContact CD1-OE1 3.28Å; Y760-Q810 HydrophobicContact CD2-CB 4Å; Y760-Q810 HydrophobicContact CE2-CB 4.49Å; Y760-Q810 HydrophobicContact CG-CB 3.73Å; Y760-L814 HydrophobicContact CE2-CD2 4.29Å
761G79.4Confident86Confident35 Ų3531.7 Ų31.736%0.36116%0.162SC..THydrogen-bonded Turntrans-77.6-3.4178.500000115.3W759 P763W759-G761 PolarHBondContact O-N 3.13Å; W759-G761 VanDerWaalsContact O-N 3.12Å; G761-P763 WeakPolarHBondContact O-CD 3.49Å
762E83.5Confident86.3Confident79 Ų7931.4 Ų31.437%0.36916%0.16SC..  trans-114.596.6-179-70.1-176.9-160.200111.6K714 W759 Y760 A764 C765 T766K714-E762 WeakPolarHBondContact CD-OE2 3.43Å; K714-E762 VanDerWaalsContact CE-OE2 3.26Å; K714-E762 WeakPolarHBondContact CE-OE2 3.5Å; K714-E762 IonicContact NZ-OE1 2.64Å; K714-E762 PolarHBondContact NZ-OE1 2.86Å; K714-E762 IonicContact NZ-OE2 3.69Å; K714-E762 PolarHBondContact NZ-OE2 3.07Å; W759-E762 PolarHBondContact O-N 2.92Å; Y760-E762 VanDerWaalsContact C-N 3.28Å; Y760-E762 PolarHBondContact O-N 2.66Å; E762-A764 PolarHBondContact O-N 3.34Å; E762-A764 VanDerWaalsContact O-N 3.08Å; E762-C765 PolarHBondContact O-N 3.4Å; E762-C765 VanDerWaalsContact O-N 3.15Å; E762-T766 PolarHBondContact O-N 3.43Å; E762-T766 PolarHBondContact O-OG1 3.03Å
763P82.2Confident86.5Confident20 Ų2031.6 Ų31.613%0.1316%0.161CC..Hα-helixtrans-59.1-25.7-178.2-27.135.2000114.6G761 C765 T766 T767 P824 M825G761-P763 WeakPolarHBondContact O-CD 3.49Å; P763-C765 VanDerWaalsContact C-N 3.29Å; P763-C765 PolarHBondContact O-N 3.33Å; P763-T766 WeakPolarHBondContact CA-OG1 3.48Å; P763-T767 WeakPolarHBondContact O-CB 3.29Å; P763-T767 PolarHBondContact O-N 2.92Å; P763-T767 PolarHBondContact O-OG1 3.06Å; P763-P824 WeakPolarHBondContact CB-O 3.24Å; P763-P824 VanDerWaalsContact CG-O 3.26Å; P763-P824 WeakPolarHBondContact CG-O 3.39Å; P763-M825 VanDerWaalsContact CD-SD 3.53Å; P763-M825 HydrophobicContact CG-CE 4.06Å; P763-M825 HydrophobicContact CG-CG 4.48Å; P763-M825 HydrophobicContact CG-SD 3.5Å; P763-M825 VanDerWaalsContact CG-SD 3.5Å
764A81Confident86.6Confident50 Ų5032 Ų3241%0.41317%0.165SC..Hα-helixtrans-61.2-38179.200000112.2L658 E762 P768L658-A764 HydrophobicContact CD1-CB 4.09Å; E762-A764 PolarHBondContact O-N 3.34Å; E762-A764 VanDerWaalsContact O-N 3.08Å; A764-P768 WeakPolarHBondContact O-CD 3.31Å; A764-P768 VanDerWaalsContact O-CG 3.3Å; A764-P768 WeakPolarHBondContact O-CG 3.34Å
765C85.3Confident86.9Confident2 Ų229.4 Ų29.41%0.01415%0.151CC..Hα-helixtrans-89.3-42.6179-170.20000112.4I718 E762 P763 P768 I769I718-C765 HydrophobicContact CD1-CB 4.33Å; I718-C765 HydrophobicContact CG1-CB 4.31Å; E762-C765 PolarHBondContact O-N 3.4Å; E762-C765 VanDerWaalsContact O-N 3.15Å; P763-C765 VanDerWaalsContact C-N 3.29Å; P763-C765 PolarHBondContact O-N 3.33Å; C765-P768 WeakPolarHBondContact O-CD 3.19Å; C765-I769 WeakPolarHBondContact O-CD1 3.26Å; C765-I769 WeakPolarHBondContact O-CG1 3.47Å
766T86.6Confident87Confident0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-73.8-37.9-175.455.60000113W759 E762 P763 I769 L770 Y807W759-T766 WeakPolarHBondContact O-CG2 3.47Å; E762-T766 PolarHBondContact O-N 3.43Å; E762-T766 PolarHBondContact O-OG1 3.03Å; P763-T766 WeakPolarHBondContact CA-OG1 3.48Å; T766-I769 PolarHBondContact O-N 3.26Å; T766-L770 WeakPolarHBondContact O-CB 3.49Å; T766-L770 WeakPolarHBondContact O-CG 3.35Å; T766-L770 PolarHBondContact O-N 3.39Å; T766-Y807 HydrophobicContact CG2-CE2 4.3Å
767T88.6Confident87Confident6 Ų629.8 Ų29.84%0.03715%0.153CC..Hα-helixtrans-60.3-48.4-176.7-66.30000112.7P763 I769 K771 I832P763-T767 WeakPolarHBondContact O-CB 3.29Å; P763-T767 PolarHBondContact O-N 2.92Å; P763-T767 PolarHBondContact O-OG1 3.06Å; T767-I769 VanDerWaalsContact C-N 3.34Å; T767-I769 PolarHBondContact O-N 2.92Å; T767-K771 HydrophobicContact CG2-CD 4.01Å; T767-K771 HydrophobicContact CG2-CG 4.39Å; T767-K771 WeakPolarHBondContact O-CB 3.34Å; T767-K771 VanDerWaalsContact O-CG 3.25Å; T767-K771 WeakPolarHBondContact O-CG 3.4Å; T767-K771 PolarHBondContact O-N 3.06Å; T767-I832 HydrophobicContact CG2-CD1 3.79Å
768P88.6Confident87Confident3 Ų328.5 Ų28.52%0.01915%0.147CC..Hα-helixtrans-57.8-43175.4-25.735.2000113.4I718 A721 R722 A764 C765 K771 L772I718-P768 HydrophobicContact CG2-CG 4.27Å; A721-P768 HydrophobicContact CB-CB 3.93Å; R722-P768 HydrophobicContact CG-CB 4.35Å; A764-P768 WeakPolarHBondContact O-CD 3.31Å; A764-P768 VanDerWaalsContact O-CG 3.3Å; A764-P768 WeakPolarHBondContact O-CG 3.34Å; C765-P768 WeakPolarHBondContact O-CD 3.19Å; P768-K771 PolarHBondContact O-N 3.38Å; P768-L772 PolarHBondContact O-N 3.28Å
769I91.8Very high87Confident1 Ų124.4 Ų24.41%0.00513%0.134CC..Hα-helixtrans-66.9-46.9-178.9-59.9171.4000110.9A721 L752 A755 V756 C765 T766 T767 K771 L772 M773 M803A721-I769 HydrophobicContact CB-CG1 3.93Å; L752-I769 HydrophobicContact CB-CG2 3.97Å; L752-I769 HydrophobicContact CD2-CD1 4.47Å; L752-I769 HydrophobicContact CD2-CG1 4.36Å; L752-I769 HydrophobicContact CD2-CG2 4.46Å; A755-I769 HydrophobicContact CB-CD1 3.91Å; V756-I769 HydrophobicContact CG2-CB 4.12Å; V756-I769 HydrophobicContact CG2-CD1 4.16Å; V756-I769 HydrophobicContact CG2-CG2 3.71Å; C765-I769 WeakPolarHBondContact O-CD1 3.26Å; C765-I769 WeakPolarHBondContact O-CG1 3.47Å; T766-I769 PolarHBondContact O-N 3.26Å; T767-I769 VanDerWaalsContact C-N 3.34Å; T767-I769 PolarHBondContact O-N 2.92Å; I769-K771 VanDerWaalsContact C-N 3.28Å; I769-K771 PolarHBondContact O-N 3.35Å; I769-L772 WeakPolarHBondContact O-CB 3.41Å; I769-L772 PolarHBondContact O-N 3.05Å; I769-M773 PolarHBondContact O-N 3.02Å; I769-M803 HydrophobicContact CG2-CE 4.16Å; I769-M803 HydrophobicContact CG2-SD 4.5Å
770L91Very high87Confident5 Ų525.4 Ų25.43%0.02614%0.137CC..Hα-helixtrans-62.6-36.5176.3-68.2176.2000111.8T766 M773 A774 M803 Y807 I832T766-L770 WeakPolarHBondContact O-CB 3.49Å; T766-L770 WeakPolarHBondContact O-CG 3.35Å; T766-L770 PolarHBondContact O-N 3.39Å; L770-M773 PolarHBondContact O-N 2.85Å; L770-A774 WeakPolarHBondContact O-CB 3.49Å; L770-A774 PolarHBondContact O-N 3.4Å; L770-M803 HydrophobicContact CD2-CG 4.2Å; L770-Y807 HydrophobicContact CD1-CD1 3.96Å; L770-Y807 HydrophobicContact CD1-CD2 3.91Å; L770-Y807 HydrophobicContact CD1-CE1 3.93Å; L770-Y807 HydrophobicContact CD1-CE2 3.85Å; L770-Y807 HydrophobicContact CD1-CG 3.95Å; L770-Y807 HydrophobicContact CD2-CG 4.32Å; L770-I832 HydrophobicContact CB-CB 4.46Å; L770-I832 HydrophobicContact CB-CG2 3.73Å
771K91.3Very high87Confident62 Ų6226.5 Ų26.527%0.2716%0.156SC..Hα-helixtrans-69-36.1175-77.8-177.8175.2-168.40113T767 P768 I769 E775 I832T767-K771 HydrophobicContact CG2-CD 4.01Å; T767-K771 HydrophobicContact CG2-CG 4.39Å; T767-K771 WeakPolarHBondContact O-CB 3.34Å; T767-K771 VanDerWaalsContact O-CG 3.25Å; T767-K771 WeakPolarHBondContact O-CG 3.4Å; T767-K771 PolarHBondContact O-N 3.06Å; P768-K771 PolarHBondContact O-N 3.38Å; I769-K771 VanDerWaalsContact C-N 3.28Å; I769-K771 PolarHBondContact O-N 3.35Å; K771-E775 WeakPolarHBondContact O-CB 3.41Å; K771-E775 PolarHBondContact O-N 2.7Å; K771-I832 HydrophobicContact CD-CD1 4.5Å; K771-I832 HydrophobicContact CG-CD1 3.91Å; K771-I832 HydrophobicContact CG-CG1 4.29Å; K771-I832 HydrophobicContact CG-CG2 4.15Å
772L92.7Very high87.1Confident2 Ų230.8 Ų30.81%0.0117%0.167CC..Hα-helixtrans-61.7-47.8171.3169.361.9000110A721 L724 R725 A728 M744 L752 P768 I769 A774 E775 L776A721-L772 HydrophobicContact CB-CD2 4.49Å; L724-L772 HydrophobicContact CB-CD1 3.8Å; L724-L772 HydrophobicContact CB-CD2 3.83Å; L724-L772 HydrophobicContact CB-CG 4.49Å; L724-L772 HydrophobicContact CD1-CD2 3.9Å; R725-L772 HydrophobicContact CB-CB 4.35Å; R725-L772 HydrophobicContact CB-CD1 4.16Å; A728-L772 HydrophobicContact CB-CD1 4.42Å; M744-L772 HydrophobicContact CE-CD2 4.47Å; L752-L772 HydrophobicContact CD1-CD2 3.86Å; P768-L772 PolarHBondContact O-N 3.28Å; I769-L772 WeakPolarHBondContact O-CB 3.41Å; I769-L772 PolarHBondContact O-N 3.05Å; L772-A774 PolarHBondContact O-N 3.14Å; L772-E775 WeakPolarHBondContact O-CB 3.47Å; L772-E775 PolarHBondContact O-N 3.14Å; L772-E775 VanDerWaalsContact O-N 3.13Å; L772-L776 HydrophobicContact CD1-CD1 4.25Å; L772-L776 HydrophobicContact CD1-CG 4.15Å; L772-L776 HydrophobicContact CG-CD1 4.23Å; L772-L776 WeakPolarHBondContact O-CG 3.36Å; L772-L776 PolarHBondContact O-N 2.91Å
773M91.6Very high87.1Confident7 Ų727 Ų273%0.03415%0.149CC..Hα-helixtrans-61.7-44178.2-17160.282.800112L749 I769 L770 E775 L776 M777 A800 M803L749-M773 HydrophobicContact CD2-CE 4.24Å; I769-M773 PolarHBondContact O-N 3.02Å; L770-M773 PolarHBondContact O-N 2.85Å; M773-E775 VanDerWaalsContact C-N 3.26Å; M773-E775 PolarHBondContact O-N 3.48Å; M773-L776 PolarHBondContact O-N 3Å; M773-M777 HydrophobicContact CG-SD 4.12Å; M773-M777 VanDerWaalsContact O-CG 3.27Å; M773-M777 WeakPolarHBondContact O-CG 3.4Å; M773-M777 PolarHBondContact O-N 2.98Å; M773-A800 HydrophobicContact CG-CB 4.17Å; M773-A800 HydrophobicContact SD-CB 3.84Å; M773-M803 HydrophobicContact CE-CB 4.11Å; M773-M803 HydrophobicContact CE-CE 3.81Å; M773-M803 HydrophobicContact CE-CG 4.39Å
774A89.8Confident87.1Confident12 Ų1226 Ų2610%0.09914%0.143CC..Hα-helixtrans-60.1-37.1174.900000112.6L770 L772 I832 A836L770-A774 WeakPolarHBondContact O-CB 3.49Å; L770-A774 PolarHBondContact O-N 3.4Å; L772-A774 PolarHBondContact O-N 3.14Å; A774-I832 HydrophobicContact CB-CG2 4.17Å; A774-A836 HydrophobicContact CB-CB 3.79Å
775E90.6Very high87Confident12 Ų1228.7 Ų28.76%0.05615%0.15CC..Hα-helixtrans-67.3-48.9175.8-171.461.2-128.500110.9R725 A728 F729 K771 L772 M773 M777 Q778 R780 R783R725-E775 HydrophobicContact CG-CB 4.41Å; A728-E775 HydrophobicContact CB-CG 4.22Å; F729-E775 HydrophobicContact CB-CG 4.5Å; K771-E775 WeakPolarHBondContact O-CB 3.41Å; K771-E775 PolarHBondContact O-N 2.7Å; L772-E775 WeakPolarHBondContact O-CB 3.47Å; L772-E775 PolarHBondContact O-N 3.14Å; L772-E775 VanDerWaalsContact O-N 3.13Å; M773-E775 VanDerWaalsContact C-N 3.26Å; M773-E775 PolarHBondContact O-N 3.48Å; E775-M777 PolarHBondContact O-N 3.22Å; E775-Q778 WeakPolarHBondContact O-CB 3.36Å; E775-Q778 PolarHBondContact O-N 2.98Å; E775-R780 IonicContact OE1-CZ 2.66Å; E775-R780 VanDerWaalsContact OE1-CZ 3.22Å; E775-R780 IonicContact OE1-NE 2.72Å; E775-R780 PolarHBondContact OE1-NE 3.4Å; E775-R780 IonicContact OE1-NH2 3.32Å; E775-R780 PolarHBondContact OE1-NH2 3.21Å; E775-R783 PolarHBondContact O-NH2 3.39Å; E775-R783 IonicContact OE1-NH2 3.88Å
776L89.3Confident86.6Confident6 Ų629.8 Ų29.83%0.03116%0.155CC..Hα-helixtrans-55.2-36.5179.1-71.8171.5000112.3A728 Y737 L740 M744 L772 M773 Q778 L796A728-L776 HydrophobicContact CB-CD2 3.93Å; Y737-L776 HydrophobicContact CE2-CD2 4.38Å; Y737-L776 PolarHBondContact OH-O 2.87Å; L740-L776 HydrophobicContact CD2-CD2 4.18Å; M744-L776 HydrophobicContact CE-CD1 4.13Å; M744-L776 HydrophobicContact SD-CD1 4.14Å; M744-L776 HydrophobicContact SD-CD2 4.27Å; L772-L776 HydrophobicContact CD1-CD1 4.25Å; L772-L776 HydrophobicContact CD1-CG 4.15Å; L772-L776 HydrophobicContact CG-CD1 4.23Å; L772-L776 WeakPolarHBondContact O-CG 3.36Å; L772-L776 PolarHBondContact O-N 2.91Å; M773-L776 PolarHBondContact O-N 3Å; L776-Q778 VanDerWaalsContact C-N 3.32Å; L776-Q778 PolarHBondContact O-N 3.21Å; L776-L796 HydrophobicContact CB-CD1 4.33Å
777M87Confident85.8Confident3 Ų334.2 Ų34.22%0.01518%0.178CC..THydrogen-bonded Turntrans-78.6-11.2-179.3-62.8167.476.900114.3M773 E775 N779 L784 A800 A836 A840M773-M777 HydrophobicContact CG-SD 4.12Å; M773-M777 VanDerWaalsContact O-CG 3.27Å; M773-M777 WeakPolarHBondContact O-CG 3.4Å; M773-M777 PolarHBondContact O-N 2.98Å; E775-M777 PolarHBondContact O-N 3.22Å; M777-N779 PolarHBondContact O-N 3.12Å; M777-L784 WeakPolarHBondContact O-CD1 3.13Å; M777-A800 HydrophobicContact CE-CB 3.62Å; M777-A800 HydrophobicContact CG-CB 4.01Å; M777-A800 HydrophobicContact SD-CB 3.38Å; M777-A800 WeakPolarHBondContact SD-CB 3.43Å; M777-A836 WeakPolarHBondContact CE-O 3.48Å; M777-A836 HydrophobicContact SD-CB 3.84Å; M777-A840 HydrophobicContact CE-CB 3.11Å
778Q87.1Confident84.7Confident73 Ų7341.6 Ų41.634%0.34122%0.223SC..  trans-79.2120-176-162.9-179.6-200111.1E775 L776 R780 R783E775-Q778 WeakPolarHBondContact O-CB 3.36Å; E775-Q778 PolarHBondContact O-N 2.98Å; L776-Q778 VanDerWaalsContact C-N 3.32Å; L776-Q778 PolarHBondContact O-N 3.21Å; Q778-R780 VanDerWaalsContact C-N 3.34Å; Q778-R780 HydrophobicContact CG-CG 3.89Å; Q778-R780 PolarHBondContact O-N 3.24Å; Q778-R783 VanDerWaalsContact O-CZ 3.31Å; Q778-R783 PolarHBondContact O-NE 3.17Å; Q778-R783 PolarHBondContact O-NH2 3.28Å
779N83.7Confident83.6Confident37 Ų3746.8 Ų46.820%0.19826%0.259CS..  trans-83.570.4176.9-167.512.3000112.1M777 Q782 R783 L784 G843M777-N779 PolarHBondContact O-N 3.12Å; N779-Q782 PolarHBondContact ND2-OE1 2.78Å; N779-Q782 VanDerWaalsContact ND2-OE1 3.14Å; N779-Q782 VanDerWaalsContact OD1-C 3.22Å; N779-Q782 WeakPolarHBondContact OD1-CA 3.37Å; N779-R783 PolarHBondContact OD1-N 3.49Å; N779-R783 VanDerWaalsContact OD1-N 3.14Å; N779-L784 HydrophobicContact CB-CB 4.21Å; N779-L784 HydrophobicContact CB-CD1 3.96Å; N779-L784 HydrophobicContact CB-CG 4.2Å; N779-L784 PolarHBondContact OD1-N 2.9Å; N779-G843 PolarHBondContact ND2-O 2.86Å
780R84.6Confident82.8Confident43 Ų4348.5 Ų48.516%0.16227%0.272CS..G310 helixtrans-78.2136.3172.8-68.9-171.3-76.3116.319.7110.1F729 N732 E775 Q778 Q782 R783F729-R780 VanDerWaalsContact CD2-CZ 3.42Å; F729-R780 VanDerWaalsContact CE2-NH1 3.3Å; F729-R780 VanDerWaalsContact O-CZ 3.32Å; F729-R780 PolarHBondContact O-NH1 3.35Å; F729-R780 PolarHBondContact O-NH2 2.94Å; N732-R780 PolarHBondContact OD1-NH1 3.43Å; E775-R780 IonicContact OE1-CZ 2.66Å; E775-R780 VanDerWaalsContact OE1-CZ 3.22Å; E775-R780 IonicContact OE1-NE 2.72Å; E775-R780 PolarHBondContact OE1-NE 3.4Å; E775-R780 IonicContact OE1-NH2 3.32Å; E775-R780 PolarHBondContact OE1-NH2 3.21Å; Q778-R780 VanDerWaalsContact C-N 3.34Å; Q778-R780 HydrophobicContact CG-CG 3.89Å; Q778-R780 PolarHBondContact O-N 3.24Å; R780-Q782 PolarHBondContact O-N 3.14Å; R780-R783 WeakPolarHBondContact O-CB 3.32Å; R780-R783 WeakPolarHBondContact O-CG 3.44Å; R780-R783 PolarHBondContact O-N 3.29Å
781S80.9Confident82.3Confident98 Ų9851.7 Ų51.769%0.68529%0.292SS*.G310 helixtrans52.229.1178.4-54.70000115.3R783S781-R783 VanDerWaalsContact C-N 3.26Å; S781-R783 PolarHBondContact O-N 3.43Å
782Q82.8Confident82Confident125 Ų12549.7 Ų49.758%0.58429%0.285SS*.G310 helixtrans61.127-176.7-59.5-66.3-12.400114.8N779 R780 L784 N785N779-Q782 PolarHBondContact ND2-OE1 2.78Å; N779-Q782 VanDerWaalsContact ND2-OE1 3.14Å; N779-Q782 VanDerWaalsContact OD1-C 3.22Å; N779-Q782 WeakPolarHBondContact OD1-CA 3.37Å; R780-Q782 PolarHBondContact O-N 3.14Å; Q782-L784 VanDerWaalsContact C-N 3.25Å; Q782-L784 PolarHBondContact O-N 3.36Å; Q782-N785 WeakPolarHBondContact O-CB 3.39Å; Q782-N785 PolarHBondContact O-N 3.04Å
783R83.3Confident81.5Confident0 Ų049.8 Ų49.80%029%0.286CS..THydrogen-bonded Turntrans-63.7-25.4179.873.8-174.6-175.81580.1114.7A728 L731 N732 Y737 E775 Q778 N779 R780 S781 N785A728-R783 PolarHBondContact O-NH1 3.25Å; L731-R783 VanDerWaalsContact O-CD 3.29Å; L731-R783 WeakPolarHBondContact O-CD 3.28Å; L731-R783 PolarHBondContact O-NH1 2.92Å; N732-R783 WeakPolarHBondContact O-CB 3.27Å; Y737-R783 HydrophobicContact CD2-CG 4.25Å; Y737-R783 HydrophobicContact CG-CG 4.49Å; E775-R783 PolarHBondContact O-NH2 3.39Å; E775-R783 IonicContact OE1-NH2 3.88Å; Q778-R783 VanDerWaalsContact O-CZ 3.31Å; Q778-R783 PolarHBondContact O-NE 3.17Å; Q778-R783 PolarHBondContact O-NH2 3.28Å; N779-R783 PolarHBondContact OD1-N 3.49Å; N779-R783 VanDerWaalsContact OD1-N 3.14Å; R780-R783 WeakPolarHBondContact O-CB 3.32Å; R780-R783 WeakPolarHBondContact O-CG 3.44Å; R780-R783 PolarHBondContact O-N 3.29Å; S781-R783 VanDerWaalsContact C-N 3.26Å; S781-R783 PolarHBondContact O-N 3.43Å; R783-N785 PolarHBondContact O-N 3.14Å
784L81.1Confident81.2Confident0 Ų052.2 Ų52.20%030%0.298CS..THydrogen-bonded Turntrans-88.417.6-179.7-60.9-178.7000112.9Y737 M777 N779 Q782 F786 L796 Y845Y737-L784 HydrophobicContact CD1-CD2 3.8Å; Y737-L784 HydrophobicContact CD2-CD2 4.32Å; Y737-L784 HydrophobicContact CE1-CD2 3.27Å; Y737-L784 HydrophobicContact CE2-CD2 3.81Å; Y737-L784 HydrophobicContact CG-CD2 4.31Å; Y737-L784 WeakPolarHBondContact OH-CD2 3.43Å; M777-L784 WeakPolarHBondContact O-CD1 3.13Å; N779-L784 HydrophobicContact CB-CB 4.21Å; N779-L784 HydrophobicContact CB-CD1 3.96Å; N779-L784 HydrophobicContact CB-CG 4.2Å; N779-L784 PolarHBondContact OD1-N 2.9Å; Q782-L784 VanDerWaalsContact C-N 3.25Å; Q782-L784 PolarHBondContact O-N 3.36Å; L784-F786 VanDerWaalsContact C-N 3.32Å; L784-F786 HydrophobicContact CB-CE2 4.29Å; L784-F786 HydrophobicContact CD2-CE2 4.23Å; L784-F786 HydrophobicContact CD2-CZ 4.11Å; L784-F786 VanDerWaalsContact O-CD2 3.26Å; L784-F786 WeakPolarHBondContact O-CD2 3.41Å; L784-F786 PolarHBondContact O-N 2.96Å; L784-L796 HydrophobicContact CD1-CD2 4.44Å; L784-L796 HydrophobicContact CD2-CD2 4.08Å; L784-Y845 HydrophobicContact CB-CD1 3.81Å; L784-Y845 HydrophobicContact CB-CG 3.87Å; L784-Y845 HydrophobicContact CD1-CD1 3.52Å; L784-Y845 HydrophobicContact CD1-CE1 3.39Å; L784-Y845 HydrophobicContact CD1-CE2 4.5Å; L784-Y845 HydrophobicContact CD1-CG 4.17Å; L784-Y845 HydrophobicContact CG-CD1 4.3Å; L784-Y845 WeakPolarHBondContact O-CB 3.23Å
785N78.8Confident81Confident105 Ų10553.2 Ų53.256%0.56130%0.302SS*.  trans-81.178.2177.7-168.127000111K734 Q782 R783K734-N785 WeakPolarHBondContact CD-O 3.41Å; K734-N785 WeakPolarHBondContact CE-O 2.83Å; Q782-N785 WeakPolarHBondContact O-CB 3.39Å; Q782-N785 PolarHBondContact O-N 3.04Å; R783-N785 PolarHBondContact O-N 3.14Å
786F77.1Confident80.9Confident25 Ų2552.7 Ų52.711%0.1130%0.3CS..  trans-69.6153.2176.6-58.9-71.1000111.7Y737 L784 N792 Y845Y737-F786 HydrophobicContact CD1-CE1 4.44Å; Y737-F786 HydrophobicContact CD1-CZ 4.26Å; Y737-F786 AromaticContact CE1-CZ 3.97Å; Y737-F786 HydrophobicContact CE1-CZ 3.97Å; L784-F786 VanDerWaalsContact C-N 3.32Å; L784-F786 HydrophobicContact CB-CE2 4.29Å; L784-F786 HydrophobicContact CD2-CE2 4.23Å; L784-F786 HydrophobicContact CD2-CZ 4.11Å; L784-F786 VanDerWaalsContact O-CD2 3.26Å; L784-F786 WeakPolarHBondContact O-CD2 3.41Å; L784-F786 PolarHBondContact O-N 2.96Å; F786-N792 HydrophobicContact CD1-CB 3.77Å; F786-N792 HydrophobicContact CE1-CB 3.7Å; F786-N792 HydrophobicContact CG-CB 4.23Å; F786-N792 HydrophobicContact CZ-CB 4.08Å; F786-Y845 HydrophobicContact CE2-CD2 4.41Å
787D70.5Confident80.8Confident93 Ų9352.5 Ų52.550%0.49730%0.298SS..  trans-64.4150.4172.8-64.6-48000110.7K734 S789 S790K734-D787 IonicContact NZ-OD1 2.85Å; K734-D787 PolarHBondContact NZ-OD1 3Å; K734-D787 IonicContact NZ-OD2 3.89Å; K734-D787 PolarHBondContact NZ-OD2 3.45Å; D787-S789 PolarHBondContact O-N 3.2Å; D787-S790 WeakPolarHBondContact O-CB 3.37Å; D787-S790 PolarHBondContact O-N 3.19Å
788V65.6Low80.9Confident161 Ų16157.3 Ų57.398%0.97632%0.316SS*.THydrogen-bonded Turntrans-57.9-22.3-178.5-175.50000112.3
789S65.5Low80.9Confident112 Ų11254.8 Ų54.878%0.78331%0.305SS*.THydrogen-bonded Turntrans-85.2-13.1175.9500000114.7D787D787-S789 PolarHBondContact O-N 3.2Å
790S75.3Confident81.1Confident38 Ų3853 Ų5327%0.26630%0.296SS..  trans-91128.3-174.2177.30000111.9D787 N792D787-S790 WeakPolarHBondContact O-CB 3.37Å; D787-S790 PolarHBondContact O-N 3.19Å; S790-N792 PolarHBondContact O-N 3.15Å; S790-N792 WeakPolarHBondContact OG-CB 3.48Å; S790-N792 VanDerWaalsContact OG-CG 3.24Å; S790-N792 PolarHBondContact OG-N 2.62Å
791P80.6Confident81.3Confident71 Ų7151.1 Ų51.146%0.46129%0.289SS..  trans-78.7-2.2174.433.6-35.1000113.3G793 I794 L795P791-G793 VanDerWaalsContact C-N 3.3Å; P791-G793 PolarHBondContact O-N 3.4Å; P791-I794 WeakPolarHBondContact O-CB 3.26Å; P791-I794 PolarHBondContact O-N 3.41Å; P791-L795 HydrophobicContact CB-CD1 4.3Å; P791-L795 HydrophobicContact CB-CG 4.42Å; P791-L795 HydrophobicContact CG-CD1 4.19Å; P791-L795 WeakPolarHBondContact O-CG 3.39Å; P791-L795 PolarHBondContact O-N 3.36Å
792N83.6Confident81.8Confident21 Ų2150.8 Ų50.811%0.11228%0.275CS..Hα-helixtrans-59.6-36.6-167.8-70.34.3000113.1F741 D742 F786 S790 I794 L795 L796F741-N792 HydrophobicContact CD1-CB 3.97Å; F741-N792 HydrophobicContact CE1-CB 3.7Å; F741-N792 HydrophobicContact CZ-CB 4.49Å; D742-N792 PolarHBondContact OD1-ND2 3Å; F786-N792 HydrophobicContact CD1-CB 3.77Å; F786-N792 HydrophobicContact CE1-CB 3.7Å; F786-N792 HydrophobicContact CG-CB 4.23Å; F786-N792 HydrophobicContact CZ-CB 4.08Å; S790-N792 PolarHBondContact O-N 3.15Å; S790-N792 WeakPolarHBondContact OG-CB 3.48Å; S790-N792 VanDerWaalsContact OG-CG 3.24Å; S790-N792 PolarHBondContact OG-N 2.62Å; N792-I794 VanDerWaalsContact C-N 3.35Å; N792-I794 PolarHBondContact O-N 3.11Å; N792-L795 PolarHBondContact O-N 3.23Å; N792-L796 WeakPolarHBondContact O-CB 3.4Å; N792-L796 PolarHBondContact O-N 3.08Å
793G83.3Confident82.1Confident3 Ų344.9 Ų44.93%0.03125%0.247CC..Hα-helixtrans-62.3-39.4175.100000113.4P791 F797 V846P791-G793 VanDerWaalsContact C-N 3.3Å; P791-G793 PolarHBondContact O-N 3.4Å; G793-F797 PolarHBondContact O-N 3.01Å; G793-V846 WeakPolarHBondContact O-CG2 3.4Å
794I84.6Confident82.4Confident58 Ų5845.2 Ų45.230%0.29725%0.25SC..Hα-helixtrans-71.1-43.2178.1-60.5172000110P791 N792 F797 R798 V846 V850 F851P791-I794 WeakPolarHBondContact O-CB 3.26Å; P791-I794 PolarHBondContact O-N 3.41Å; N792-I794 VanDerWaalsContact C-N 3.35Å; N792-I794 PolarHBondContact O-N 3.11Å; I794-F797 PolarHBondContact O-N 3.3Å; I794-R798 WeakPolarHBondContact O-CB 3.33Å; I794-R798 PolarHBondContact O-N 3.44Å; I794-V846 HydrophobicContact CG1-CG1 4.33Å; I794-V850 HydrophobicContact CD1-CG1 3.95Å; I794-F851 HydrophobicContact CG2-CE1 3.77Å; I794-F851 HydrophobicContact CG2-CZ 3.84Å
795L86.4Confident82.8Confident33 Ų3346 Ų4617%0.17326%0.255CS..Hα-helixtrans-62.9-44.6178.7-65.5175.3000111.7F741 Y745 P791 N792 F797 R798 E799F741-L795 HydrophobicContact CZ-CB 4.02Å; Y745-L795 HydrophobicContact CD1-CD1 4.43Å; Y745-L795 HydrophobicContact CE1-CD1 3.8Å; P791-L795 HydrophobicContact CB-CD1 4.3Å; P791-L795 HydrophobicContact CB-CG 4.42Å; P791-L795 HydrophobicContact CG-CD1 4.19Å; P791-L795 WeakPolarHBondContact O-CG 3.39Å; P791-L795 PolarHBondContact O-N 3.36Å; N792-L795 PolarHBondContact O-N 3.23Å; L795-F797 VanDerWaalsContact C-N 3.34Å; L795-F797 PolarHBondContact O-N 3.31Å; L795-R798 WeakPolarHBondContact O-CB 3.49Å; L795-R798 PolarHBondContact O-N 2.93Å; L795-E799 PolarHBondContact O-N 2.9Å
796L87.1Confident83.2Confident1 Ų142.5 Ų42.51%0.00524%0.237CC..Hα-helixtrans-58-46.7174.9178.964000111.5Y737 F741 L776 L784 N792 R798 E799 A800 Y845Y737-L796 WeakPolarHBondContact OH-CD2 3.39Å; F741-L796 HydrophobicContact CD2-CD1 4.24Å; F741-L796 HydrophobicContact CE2-CB 3.78Å; F741-L796 HydrophobicContact CE2-CD1 3.89Å; F741-L796 HydrophobicContact CE2-CG 4.39Å; F741-L796 HydrophobicContact CZ-CB 4.23Å; L776-L796 HydrophobicContact CB-CD1 4.33Å; L784-L796 HydrophobicContact CD1-CD2 4.44Å; L784-L796 HydrophobicContact CD2-CD2 4.08Å; N792-L796 WeakPolarHBondContact O-CB 3.4Å; N792-L796 PolarHBondContact O-N 3.08Å; L796-R798 VanDerWaalsContact C-N 3.33Å; L796-R798 PolarHBondContact O-N 2.96Å; L796-E799 PolarHBondContact O-N 3.15Å; L796-A800 WeakPolarHBondContact O-CB 3.32Å; L796-A800 PolarHBondContact O-N 3.41Å; L796-Y845 HydrophobicContact CD2-CE2 4.05Å
797F88.1Confident83.8Confident2 Ų241.4 Ų41.41%0.00923%0.232CC..Hα-helixtrans-64.4-38.2177.5-179.7-95000112.3G793 I794 L795 A800 S801 A840 V846 F848 F851 F859G793-F797 PolarHBondContact O-N 3.01Å; I794-F797 PolarHBondContact O-N 3.3Å; L795-F797 VanDerWaalsContact C-N 3.34Å; L795-F797 PolarHBondContact O-N 3.31Å; F797-A800 PolarHBondContact O-N 2.73Å; F797-S801 WeakPolarHBondContact O-CB 3.45Å; F797-S801 PolarHBondContact O-N 3.41Å; F797-A840 HydrophobicContact CD2-CB 3.87Å; F797-A840 HydrophobicContact CE2-CB 3.93Å; F797-V846 HydrophobicContact CB-CG2 4.02Å; F797-F848 HydrophobicContact CD1-CE1 4.32Å; F797-F848 AromaticContact CD2-CE1 3.8Å; F797-F848 HydrophobicContact CD2-CE1 3.8Å; F797-F848 HydrophobicContact CD2-CZ 4.34Å; F797-F848 HydrophobicContact CE1-CD1 4.45Å; F797-F848 HydrophobicContact CE1-CE1 4.07Å; F797-F848 AromaticContact CE2-CE1 3.54Å; F797-F848 HydrophobicContact CE2-CE1 3.54Å; F797-F848 HydrophobicContact CE2-CZ 4.16Å; F797-F848 HydrophobicContact CG-CE1 4.19Å; F797-F848 HydrophobicContact CZ-CD1 4.32Å; F797-F848 AromaticContact CZ-CE1 3.68Å; F797-F848 HydrophobicContact CZ-CE1 3.68Å; F797-F851 HydrophobicContact CB-CZ 4.42Å; F797-F851 HydrophobicContact CD1-CE1 4.09Å; F797-F851 AromaticContact CD1-CE2 3.66Å; F797-F851 HydrophobicContact CD1-CE2 3.66Å; F797-F851 AromaticContact CD1-CZ 3.32Å; F797-F851 HydrophobicContact CD1-CZ 3.32Å; F797-F851 AromaticContact CE1-CE2 3.95Å; F797-F851 HydrophobicContact CE1-CE2 3.95Å; F797-F851 AromaticContact CE1-CZ 3.95Å; F797-F851 HydrophobicContact CE1-CZ 3.95Å; F797-F851 HydrophobicContact CG-CE2 4.47Å; F797-F851 HydrophobicContact CG-CZ 4.18Å; F797-F859 HydrophobicContact CE1-CB 4.2Å; F797-F859 HydrophobicContact CE1-CD2 4.12Å; F797-F859 AromaticContact CZ-CD2 3.76Å; F797-F859 HydrophobicContact CZ-CD2 3.76Å
798R88.3Confident84.5Confident104 Ų10437 Ų3739%0.39221%0.209SC..Hα-helixtrans-61.2-48.2177.8-174.1-179.9173.2-178.8-3.6111.8I794 L795 L796 S801 K802 H858I794-R798 WeakPolarHBondContact O-CB 3.33Å; I794-R798 PolarHBondContact O-N 3.44Å; L795-R798 WeakPolarHBondContact O-CB 3.49Å; L795-R798 PolarHBondContact O-N 2.93Å; L796-R798 VanDerWaalsContact C-N 3.33Å; L796-R798 PolarHBondContact O-N 2.96Å; R798-S801 PolarHBondContact O-N 3.08Å; R798-K802 WeakPolarHBondContact O-CB 3.35Å; R798-K802 PolarHBondContact O-N 3.39Å; R798-H858 PolarHBondContact NE-CE1 2.92Å; R798-H858 PolarHBondContact NE-NE2 3Å
799E88.3Confident85.5Confident20 Ų2033 Ų339%0.09318%0.182CC..Hα-helixtrans-68.4-39.2179.7-66.7-54.5124.600112.3Y745 L749 Q753 L795 L796 M803Y745-E799 HydrophobicContact CD2-CG 4.06Å; Y745-E799 HydrophobicContact CE2-CG 4.01Å; L749-E799 HydrophobicContact CD1-CB 4.27Å; L749-E799 HydrophobicContact CD1-CG 4.16Å; Q753-E799 PolarHBondContact NE2-O 2.85Å; Q753-E799 PolarHBondContact NE2-OE2 2.91Å; L795-E799 PolarHBondContact O-N 2.9Å; L796-E799 PolarHBondContact O-N 3.15Å; E799-M803 PolarHBondContact O-N 3.43Å
800A87.9Confident86.4Confident1 Ų129.7 Ų29.71%0.00815%0.154CC..Hα-helixtrans-62.8-43.7172.600000112.1M773 M777 L796 F797 M803 V804M773-A800 HydrophobicContact CG-CB 4.17Å; M773-A800 HydrophobicContact SD-CB 3.84Å; M777-A800 HydrophobicContact CE-CB 3.62Å; M777-A800 HydrophobicContact CG-CB 4.01Å; M777-A800 HydrophobicContact SD-CB 3.38Å; M777-A800 WeakPolarHBondContact SD-CB 3.43Å; L796-A800 WeakPolarHBondContact O-CB 3.32Å; L796-A800 PolarHBondContact O-N 3.41Å; F797-A800 PolarHBondContact O-N 2.73Å; A800-M803 WeakPolarHBondContact O-CB 3.49Å; A800-M803 PolarHBondContact O-N 3.36Å; A800-V804 WeakPolarHBondContact O-CG2 3.42Å; A800-V804 PolarHBondContact O-N 3.5Å
801S89.2Confident86.7Confident3 Ų327.9 Ų27.92%0.02114%0.141CC..Hα-helixtrans-59.9-47.5178161.40000111.5F797 R798 M803 V804 C805 H858 V862F797-S801 WeakPolarHBondContact O-CB 3.45Å; F797-S801 PolarHBondContact O-N 3.41Å; R798-S801 PolarHBondContact O-N 3.08Å; S801-M803 VanDerWaalsContact C-N 3.33Å; S801-M803 PolarHBondContact O-N 2.64Å; S801-V804 PolarHBondContact O-N 3.36Å; S801-C805 WeakPolarHBondContact O-CB 3.25Å; S801-C805 PolarHBondContact O-N 3.44Å; S801-C805 PolarHBondContact O-SG 3.22Å; S801-H858 PolarHBondContact OG-O 2.87Å; S801-V862 VanDerWaalsContact CB-CG2 3.41Å; S801-V862 WeakPolarHBondContact O-CG2 3.34Å; S801-V862 WeakPolarHBondContact OG-CG2 3.15Å
802K90.2Very high86.7Confident91 Ų9127.1 Ų27.140%0.39613%0.133SC..Hα-helixtrans-59.1-43.2176.2-173.2177.4172.3-154.60112R798 C805 T806R798-K802 WeakPolarHBondContact O-CB 3.35Å; R798-K802 PolarHBondContact O-N 3.39Å; K802-C805 PolarHBondContact O-N 3.43Å; K802-T806 WeakPolarHBondContact O-CB 3.46Å; K802-T806 PolarHBondContact O-N 3.15Å; K802-T806 PolarHBondContact O-OG1 3.06Å
803M89.5Confident86.6Confident1 Ų129.7 Ų29.71%0.00515%0.153CC..Hα-helixtrans-62.2-48.1177.4-17074.176.800112.3L752 Q753 V756 I769 L770 M773 E799 A800 S801 C805 T806 Y807L752-M803 HydrophobicContact CB-CE 4Å; Q753-M803 HydrophobicContact CB-CE 4.23Å; Q753-M803 HydrophobicContact CB-SD 4.41Å; Q753-M803 HydrophobicContact CG-CE 3.44Å; Q753-M803 VanDerWaalsContact CG-CE 3.44Å; Q753-M803 HydrophobicContact CG-SD 3.92Å; V756-M803 HydrophobicContact CB-SD 3.87Å; V756-M803 HydrophobicContact CG1-SD 4.23Å; V756-M803 HydrophobicContact CG2-SD 3.63Å; I769-M803 HydrophobicContact CG2-CE 4.16Å; I769-M803 HydrophobicContact CG2-SD 4.5Å; L770-M803 HydrophobicContact CD2-CG 4.2Å; M773-M803 HydrophobicContact CE-CB 4.11Å; M773-M803 HydrophobicContact CE-CE 3.81Å; M773-M803 HydrophobicContact CE-CG 4.39Å; E799-M803 PolarHBondContact O-N 3.43Å; A800-M803 WeakPolarHBondContact O-CB 3.49Å; A800-M803 PolarHBondContact O-N 3.36Å; S801-M803 VanDerWaalsContact C-N 3.33Å; S801-M803 PolarHBondContact O-N 2.64Å; M803-C805 PolarHBondContact O-N 3.39Å; M803-T806 PolarHBondContact O-N 3.03Å; M803-Y807 PolarHBondContact O-N 3.5Å
804V89.8Confident86.3Confident7 Ų731.8 Ų31.84%0.04216%0.163CC..Hα-helixtrans-64.2-40.61791730000111.2A800 S801 G808 C833 V862 M869A800-V804 WeakPolarHBondContact O-CG2 3.42Å; A800-V804 PolarHBondContact O-N 3.5Å; S801-V804 PolarHBondContact O-N 3.36Å; V804-G808 WeakPolarHBondContact O-CA 3.49Å; V804-G808 PolarHBondContact O-N 3.13Å; V804-C833 HydrophobicContact CG1-CB 4.25Å; V804-V862 HydrophobicContact CB-CG2 4.41Å; V804-M869 HydrophobicContact CG1-CE 4.04Å
805C89.9Confident85.6Confident16 Ų1631.9 Ų31.911%0.10818%0.179CC..Hα-helixtrans-64.6-42.8176.2-68.30000112.2S801 K802 M803 N809S801-C805 WeakPolarHBondContact O-CB 3.25Å; S801-C805 PolarHBondContact O-N 3.44Å; S801-C805 PolarHBondContact O-SG 3.22Å; K802-C805 PolarHBondContact O-N 3.43Å; M803-C805 PolarHBondContact O-N 3.39Å; C805-N809 WeakPolarHBondContact O-CB 3.44Å; C805-N809 PolarHBondContact O-N 3.24Å; C805-N809 PolarHBondContact O-ND2 3.48Å
806T87.5Confident84.6Confident32 Ų3236.6 Ų36.620%0.19621%0.214CC..Hα-helixtrans-62.6-53-179.9-55.60000110.4E757 K802 M803 Q810E757-T806 HydrophobicContact CB-CG2 3.86Å; E757-T806 HydrophobicContact CG-CG2 3.98Å; K802-T806 WeakPolarHBondContact O-CB 3.46Å; K802-T806 PolarHBondContact O-N 3.15Å; K802-T806 PolarHBondContact O-OG1 3.06Å; M803-T806 PolarHBondContact O-N 3.03Å; T806-Q810 WeakPolarHBondContact O-CG 3.24Å; T806-Q810 PolarHBondContact O-N 3Å
807Y88.3Confident84Confident2 Ų239 Ų391%0.00823%0.227CC..Hα-helixtrans-62.3-47.3177.1-177.1-99.6000112.1V756 T766 L770 M803 N809 Q810 I811 G829 C833V756-Y807 HydrophobicContact CG1-CD2 3.95Å; V756-Y807 HydrophobicContact CG1-CG 4.37Å; T766-Y807 HydrophobicContact CG2-CE2 4.3Å; L770-Y807 HydrophobicContact CD1-CD1 3.96Å; L770-Y807 HydrophobicContact CD1-CD2 3.91Å; L770-Y807 HydrophobicContact CD1-CE1 3.93Å; L770-Y807 HydrophobicContact CD1-CE2 3.85Å; L770-Y807 HydrophobicContact CD1-CG 3.95Å; L770-Y807 HydrophobicContact CD2-CG 4.32Å; M803-Y807 PolarHBondContact O-N 3.5Å; Y807-N809 PolarHBondContact O-N 3.03Å; Y807-Q810 PolarHBondContact O-N 3.35Å; Y807-I811 HydrophobicContact CD1-CG2 4.45Å; Y807-I811 HydrophobicContact CE1-CB 4.16Å; Y807-I811 HydrophobicContact CE1-CD1 4.46Å; Y807-I811 HydrophobicContact CE1-CG1 4.17Å; Y807-I811 HydrophobicContact CE1-CG2 4.2Å; Y807-I811 HydrophobicContact CE2-CD1 3.98Å; Y807-I811 WeakPolarHBondContact O-CB 3.35Å; Y807-I811 WeakPolarHBondContact O-CG2 3.39Å; Y807-I811 PolarHBondContact O-N 3Å; Y807-I811 WeakPolarHBondContact OH-CD1 3.44Å; Y807-G829 WeakPolarHBondContact OH-CA 3.44Å; Y807-C833 VanDerWaalsContact CD1-SG 3.59Å
808G85.3Confident83.2Confident0 Ų041.8 Ų41.80%025%0.246CC..Hα-helixtrans-62.9-38.3-176.200000113.5V804 L812V804-G808 WeakPolarHBondContact O-CA 3.49Å; V804-G808 PolarHBondContact O-N 3.13Å; G808-L812 WeakPolarHBondContact O-CD1 3.34Å; G808-L812 WeakPolarHBondContact O-CG 3.36Å
809N86.3Confident82.2Confident76 Ų7645.2 Ų45.241%0.40626%0.264SS..Hα-helixtrans-73.9-36.8176.8-71.3-44.5000112.2C805 Y807 K868C805-N809 WeakPolarHBondContact O-CB 3.44Å; C805-N809 PolarHBondContact O-N 3.24Å; C805-N809 PolarHBondContact O-ND2 3.48Å; Y807-N809 PolarHBondContact O-N 3.03Å; N809-K868 PolarHBondContact OD1-NZ 2.93Å
810Q84.2Confident81.3Confident43 Ų4351.1 Ų51.120%0.20130%0.296CS..Hα-helixtrans-78-37.9-177.6-70.2-173.6-23.400113.1E757 Y760 T806 Y807 L812 S813E757-Q810 PolarHBondContact O-NE2 3.13Å; E757-Q810 PolarHBondContact O-OE1 3.15Å; E757-Q810 VanDerWaalsContact O-OE1 3.05Å; Y760-Q810 HydrophobicContact CD1-CB 4Å; Y760-Q810 HydrophobicContact CD1-CG 4.39Å; Y760-Q810 VanDerWaalsContact CD1-OE1 3.28Å; Y760-Q810 HydrophobicContact CD2-CB 4Å; Y760-Q810 HydrophobicContact CE2-CB 4.49Å; Y760-Q810 HydrophobicContact CG-CB 3.73Å; T806-Q810 WeakPolarHBondContact O-CG 3.24Å; T806-Q810 PolarHBondContact O-N 3Å; Y807-Q810 PolarHBondContact O-N 3.35Å; Q810-L812 PolarHBondContact O-N 3.27Å; Q810-S813 WeakPolarHBondContact O-CB 3.4Å; Q810-S813 PolarHBondContact O-N 3.35Å; Q810-S813 PolarHBondContact O-OG 3.4Å
811I83.4Confident80.6Confident0 Ų056 Ų560%032%0.319CS..Hα-helixtrans-65-23.5-179.2-157.371.5000112.7Y807 S813 L814 K826Y807-I811 HydrophobicContact CD1-CG2 4.45Å; Y807-I811 HydrophobicContact CE1-CB 4.16Å; Y807-I811 HydrophobicContact CE1-CD1 4.46Å; Y807-I811 HydrophobicContact CE1-CG1 4.17Å; Y807-I811 HydrophobicContact CE1-CG2 4.2Å; Y807-I811 HydrophobicContact CE2-CD1 3.98Å; Y807-I811 WeakPolarHBondContact O-CB 3.35Å; Y807-I811 WeakPolarHBondContact O-CG2 3.39Å; Y807-I811 PolarHBondContact O-N 3Å; Y807-I811 WeakPolarHBondContact OH-CD1 3.44Å; I811-S813 PolarHBondContact O-N 2.96Å; I811-L814 HydrophobicContact CD1-CD1 3.32Å; I811-L814 HydrophobicContact CD1-CG 4.34Å; I811-L814 HydrophobicContact CG1-CD1 3.91Å; I811-L814 WeakPolarHBondContact O-CB 3.26Å; I811-L814 PolarHBondContact O-N 3.11Å; I811-K826 HydrophobicContact CG1-CG 4.29Å
812L80.7Confident80.2Confident56 Ų5657.5 Ų57.529%0.29333%0.327SS..THydrogen-bonded Turntrans-71.5-18.8175-65.1169.2000113G808 Q810 L814 K868G808-L812 WeakPolarHBondContact O-CD1 3.34Å; G808-L812 WeakPolarHBondContact O-CG 3.36Å; Q810-L812 PolarHBondContact O-N 3.27Å; L812-L814 PolarHBondContact O-N 2.93Å; L812-K868 HydrophobicContact CD1-CB 3.65Å; L812-K868 HydrophobicContact CD1-CD 4.48Å
813S79.8Confident79.7Confident75 Ų7555.6 Ų55.652%0.52432%0.317SS..THydrogen-bonded Turntrans-76.8-10.417573.70000113.5Q810 I811 G815Q810-S813 WeakPolarHBondContact O-CB 3.4Å; Q810-S813 PolarHBondContact O-N 3.35Å; Q810-S813 PolarHBondContact O-OG 3.4Å; I811-S813 PolarHBondContact O-N 2.96Å; S813-G815 PolarHBondContact O-N 3.46Å
814L77.3Confident79.3Confident46 Ų4657.9 Ų57.924%0.24133%0.332CS..  trans-67.3126.3173.7-68174.7000109.9Y760 I811 L812Y760-L814 HydrophobicContact CE2-CD2 4.29Å; I811-L814 HydrophobicContact CD1-CD1 3.32Å; I811-L814 HydrophobicContact CD1-CG 4.34Å; I811-L814 HydrophobicContact CG1-CD1 3.91Å; I811-L814 WeakPolarHBondContact O-CB 3.26Å; I811-L814 PolarHBondContact O-N 3.11Å; L812-L814 PolarHBondContact O-N 2.93Å
815G70.3Confident78.8Confident61 Ų6160.8 Ų60.863%0.62935%0.346SS*.  trans-67.8-166.8179.100000114.3S813 L817S813-G815 PolarHBondContact O-N 3.46Å; G815-L817 PolarHBondContact O-N 3.49Å
816S65.9Low78.5Confident131 Ų13161.9 Ų61.992%0.91635%0.349SS*.  trans-64.5116177.455.40000111.3
817L74.9Confident78.4Confident52 Ų5260.4 Ų60.427%0.27234%0.34SS..  trans-98156176.8-63.8170.4000110.7G815 I822 M825 K826G815-L817 PolarHBondContact O-N 3.49Å; L817-I822 HydrophobicContact CB-CG1 3.72Å; L817-M825 HydrophobicContact CD1-CB 3.83Å; L817-K826 HydrophobicContact CD1-CB 4.37Å
818S71.3Confident78.3Confident60 Ų6063.8 Ų63.842%0.4236%0.355SS..  trans-67.9152.3172.264.50000111.4D820 Q821 I822S818-D820 PolarHBondContact O-N 3.14Å; S818-Q821 PolarHBondContact O-N 3.23Å; S818-Q821 WeakPolarHBondContact OG-CG 3.43Å; S818-I822 VanDerWaalsContact O-CG1 3.31Å; S818-I822 WeakPolarHBondContact O-CG1 3.39Å; S818-I822 PolarHBondContact O-N 2.89Å
819K66.7Low78.3Confident176 Ų17663.9 Ų63.977%0.76536%0.355SS*.Hα-helixtrans-52-34.8-177.9-71-172.6178-177.10113.4Y881K819-Y881 PolarHBondContact O-OH 3.3Å
820D68.2Low78.5Confident144 Ų14460.2 Ų60.277%0.7734%0.336SS*.Hα-helixtrans-76.6-26.4-179.8-56.6-38.3000113.4S818 P824S818-D820 PolarHBondContact O-N 3.14Å; D820-P824 WeakPolarHBondContact O-CD 3.42Å
821Q74.3Confident78.7Confident103 Ų10358.7 Ų58.748%0.48133%0.33SS..Hα-helixtrans-95.6-20.1-177.9-67.2-177.7-9.400113.4S818 Y823 P824 M825S818-Q821 PolarHBondContact O-N 3.23Å; S818-Q821 WeakPolarHBondContact OG-CG 3.43Å; Q821-Y823 VanDerWaalsContact C-N 3.28Å; Q821-Y823 PolarHBondContact O-N 3.42Å; Q821-P824 VanDerWaalsContact O-CD 3.26Å; Q821-P824 WeakPolarHBondContact O-CD 3.3Å; Q821-P824 WeakPolarHBondContact O-CG 3.43Å; Q821-M825 HydrophobicContact CB-CG 4.37Å; Q821-M825 WeakPolarHBondContact O-CB 3.44Å; Q821-M825 WeakPolarHBondContact O-CG 3.35Å; Q821-M825 PolarHBondContact O-N 3.26Å
822I80.4Confident79Confident36 Ų3659.4 Ų59.419%0.18533%0.333CS..Hα-helixtrans-53.9-44.5178.9-75.3168.9000111.5L817 S818 K826 L827L817-I822 HydrophobicContact CB-CG1 3.72Å; S818-I822 VanDerWaalsContact O-CG1 3.31Å; S818-I822 WeakPolarHBondContact O-CG1 3.39Å; S818-I822 PolarHBondContact O-N 2.89Å; I822-K826 WeakPolarHBondContact O-CB 3.38Å; I822-K826 PolarHBondContact O-N 2.92Å; I822-L827 HydrophobicContact CG2-CD1 3.67Å; I822-L827 HydrophobicContact CG2-CD2 4.4Å; I822-L827 HydrophobicContact CG2-CG 3.72Å; I822-L827 PolarHBondContact O-N 3.14Å; I822-L827 VanDerWaalsContact O-N 3.07Å
823Y81Confident79.4Confident51 Ų5156.9 Ų56.920%0.232%0.32CS..Iπ-helixtrans-65.3-58.2-178.5-175.5-99.9000113.8Q821 M825 L827 K828 Y881 K883Q821-Y823 VanDerWaalsContact C-N 3.28Å; Q821-Y823 PolarHBondContact O-N 3.42Å; Y823-M825 PolarHBondContact O-N 3.39Å; Y823-L827 HydrophobicContact CD2-CB 3.92Å; Y823-L827 HydrophobicContact CD2-CD1 4.28Å; Y823-L827 HydrophobicContact CE2-CB 4.49Å; Y823-L827 PolarHBondContact O-N 2.92Å; Y823-K828 HydrophobicContact CE1-CB 4.42Å; Y823-K828 VanDerWaalsContact O-CB 3.25Å; Y823-K828 WeakPolarHBondContact O-CB 3.45Å; Y823-K828 PolarHBondContact O-N 2.83Å; Y823-Y881 AromaticContact CD2-CD1 3.32Å; Y823-Y881 HydrophobicContact CD2-CD1 3.32Å; Y823-Y881 HydrophobicContact CD2-CD2 4.05Å; Y823-Y881 AromaticContact CD2-CE1 3.75Å; Y823-Y881 HydrophobicContact CD2-CE1 3.75Å; Y823-Y881 HydrophobicContact CD2-CE2 4.41Å; Y823-Y881 AromaticContact CD2-CG 3.5Å; Y823-Y881 HydrophobicContact CD2-CG 3.5Å; Y823-Y881 VanDerWaalsContact CD2-CG 3.5Å; Y823-Y881 AromaticContact CE2-CD1 3.86Å; Y823-Y881 HydrophobicContact CE2-CD1 3.86Å; Y823-Y881 AromaticContact CE2-CG 3.93Å; Y823-Y881 HydrophobicContact CE2-CG 3.93Å; Y823-Y881 AromaticContact CG-CD1 3.81Å; Y823-Y881 HydrophobicContact CG-CD1 3.81Å; Y823-Y881 AromaticContact CG-CE1 3.8Å; Y823-Y881 HydrophobicContact CG-CE1 3.8Å; Y823-Y881 HydrophobicContact CG-CG 4.38Å; Y823-K883 WeakPolarHBondContact OH-CB 3.28Å; Y823-K883 WeakPolarHBondContact OH-CD 3.3Å
824P79.2Confident80Confident48 Ų4853.4 Ų53.431%0.31230%0.296SS..Iπ-helixtrans-66.1-34-178.324.8-34.4000113.6P763 D820 Q821P763-P824 WeakPolarHBondContact CB-O 3.24Å; P763-P824 VanDerWaalsContact CG-O 3.26Å; P763-P824 WeakPolarHBondContact CG-O 3.39Å; D820-P824 WeakPolarHBondContact O-CD 3.42Å; Q821-P824 VanDerWaalsContact O-CD 3.26Å; Q821-P824 WeakPolarHBondContact O-CD 3.3Å; Q821-P824 WeakPolarHBondContact O-CG 3.43Å
825M80.3Confident80.5Confident69 Ų6953.5 Ų53.534%0.3430%0.3SS..Iπ-helixtrans-85-35.8-174-64.9-71.4152.900113.5P763 L817 Q821 Y823P763-M825 VanDerWaalsContact CD-SD 3.53Å; P763-M825 HydrophobicContact CG-CE 4.06Å; P763-M825 HydrophobicContact CG-CG 4.48Å; P763-M825 HydrophobicContact CG-SD 3.5Å; P763-M825 VanDerWaalsContact CG-SD 3.5Å; L817-M825 HydrophobicContact CD1-CB 3.83Å; Q821-M825 HydrophobicContact CB-CG 4.37Å; Q821-M825 WeakPolarHBondContact O-CB 3.44Å; Q821-M825 WeakPolarHBondContact O-CG 3.35Å; Q821-M825 PolarHBondContact O-N 3.26Å; Y823-M825 PolarHBondContact O-N 3.39Å
826K83.7Confident81.4Confident38 Ų3850.7 Ų50.717%0.16527%0.271CS..Iπ-helixtrans-121.4-60.7-172.6-175.3178.6175.4-170.80112.5I811 L817 I822 K828 G829 I830 S872I811-K826 HydrophobicContact CG1-CG 4.29Å; L817-K826 HydrophobicContact CD1-CB 4.37Å; I822-K826 WeakPolarHBondContact O-CB 3.38Å; I822-K826 PolarHBondContact O-N 2.92Å; K826-K828 PolarHBondContact O-N 3.39Å; K826-G829 PolarHBondContact O-N 2.97Å; K826-I830 HydrophobicContact CG-CD1 3.84Å; K826-I830 WeakPolarHBondContact O-CG1 3.36Å; K826-I830 PolarHBondContact O-N 2.95Å; K826-S872 WeakPolarHBondContact CE-OG 3.39Å; K826-S872 PolarHBondContact NZ-O 3.3Å
827L84.9Confident82.6Confident2 Ų244.9 Ų44.91%0.0123%0.23CC..Iπ-helixtrans-66.9-34.5-168.6-59.3-179.4000113.8I822 Y823 I830 S831 V873 D877 Y881 L884I822-L827 HydrophobicContact CG2-CD1 3.67Å; I822-L827 HydrophobicContact CG2-CD2 4.4Å; I822-L827 HydrophobicContact CG2-CG 3.72Å; I822-L827 PolarHBondContact O-N 3.14Å; I822-L827 VanDerWaalsContact O-N 3.07Å; Y823-L827 HydrophobicContact CD2-CB 3.92Å; Y823-L827 HydrophobicContact CD2-CD1 4.28Å; Y823-L827 HydrophobicContact CE2-CB 4.49Å; Y823-L827 PolarHBondContact O-N 2.92Å; L827-I830 PolarHBondContact O-N 2.95Å; L827-S831 WeakPolarHBondContact O-CB 3.43Å; L827-S831 PolarHBondContact O-N 3.4Å; L827-V873 HydrophobicContact CD2-CG1 4.22Å; L827-V873 HydrophobicContact CD2-CG2 3.76Å; L827-D877 HydrophobicContact CD1-CB 4.16Å; L827-Y881 HydrophobicContact CD1-CD2 3.39Å; L827-Y881 HydrophobicContact CD1-CE2 3.42Å; L827-Y881 VanDerWaalsContact CD1-CE2 3.42Å; L827-Y881 HydrophobicContact CD1-CG 4.33Å; L827-L884 HydrophobicContact CB-CD2 4.33Å; L827-L884 HydrophobicContact CD1-CD2 4.29Å; L827-L884 HydrophobicContact CD2-CD2 4.11Å; L827-L884 HydrophobicContact CG-CD2 4.49Å
828K86.5Confident83.2Confident73 Ų7345.9 Ų45.932%0.31723%0.232SC..Hα-helixtrans-63.4-42179.6-177-178.3178.9-172.50112.2Y823 K826 I832Y823-K828 HydrophobicContact CE1-CB 4.42Å; Y823-K828 VanDerWaalsContact O-CB 3.25Å; Y823-K828 WeakPolarHBondContact O-CB 3.45Å; Y823-K828 PolarHBondContact O-N 2.83Å; K826-K828 PolarHBondContact O-N 3.39Å; K828-I832 HydrophobicContact CG-CD1 4.42Å; K828-I832 WeakPolarHBondContact O-CD1 3.24Å; K828-I832 WeakPolarHBondContact O-CG1 3.28Å; K828-I832 PolarHBondContact O-N 2.96Å
829G86.1Confident83.9Confident1 Ų144 Ų441%0.0122%0.219CC..Hα-helixtrans-68-42.717600000112Y807 K826 S831 I832 C833Y807-G829 WeakPolarHBondContact OH-CA 3.44Å; K826-G829 PolarHBondContact O-N 2.97Å; G829-S831 VanDerWaalsContact C-N 3.32Å; G829-S831 PolarHBondContact O-N 2.7Å; G829-I832 PolarHBondContact O-N 2.88Å; G829-I832 VanDerWaalsContact O-N 3.1Å; G829-C833 PolarHBondContact O-N 2.96Å; G829-C833 PolarHBondContact O-SG 3.22Å
830I88.6Confident84.9Confident0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-57.9-44.8174.5-65.7172.6000111K826 L827 I832 C833 Y834 M869 V873 L884K826-I830 HydrophobicContact CG-CD1 3.84Å; K826-I830 WeakPolarHBondContact O-CG1 3.36Å; K826-I830 PolarHBondContact O-N 2.95Å; L827-I830 PolarHBondContact O-N 2.95Å; I830-I832 VanDerWaalsContact C-N 3.3Å; I830-I832 PolarHBondContact O-N 3.29Å; I830-C833 WeakPolarHBondContact O-CB 3.24Å; I830-C833 PolarHBondContact O-N 3.45Å; I830-Y834 HydrophobicContact CG2-CD1 4.35Å; I830-Y834 HydrophobicContact CG2-CD2 4.06Å; I830-Y834 HydrophobicContact CG2-CE1 3.81Å; I830-Y834 HydrophobicContact CG2-CE2 3.49Å; I830-Y834 VanDerWaalsContact CG2-CE2 3.49Å; I830-Y834 HydrophobicContact CG2-CG 4.46Å; I830-Y834 PolarHBondContact O-N 3.38Å; I830-M869 HydrophobicContact CG1-CG 4.48Å; I830-M869 HydrophobicContact CG1-SD 4.22Å; I830-M869 HydrophobicContact CG2-CB 4.28Å; I830-M869 HydrophobicContact CG2-SD 4.49Å; I830-V873 HydrophobicContact CD1-CG2 4.2Å; I830-L884 HydrophobicContact CG2-CD1 4.42Å
831S88.9Confident85.6Confident10 Ų1029.1 Ų29.17%0.0715%0.147CC..Hα-helixtrans-57.6-41.1175.51670000112.3L827 G829 Y834 S835 K883 S887L827-S831 WeakPolarHBondContact O-CB 3.43Å; L827-S831 PolarHBondContact O-N 3.4Å; G829-S831 VanDerWaalsContact C-N 3.32Å; G829-S831 PolarHBondContact O-N 2.7Å; S831-Y834 PolarHBondContact O-N 2.96Å; S831-S835 PolarHBondContact O-N 3.16Å; S831-K883 PolarHBondContact OG-O 3.01Å; S831-S887 VanDerWaalsContact O-CB 3.29Å; S831-S887 WeakPolarHBondContact O-CB 3.49Å; S831-S887 PolarHBondContact O-OG 3.35Å; S831-S887 PolarHBondContact OG-OG 2.81Å
832I89.3Confident86Confident16 Ų1626.9 Ų26.98%0.08214%0.143CC..Hα-helixtrans-68.6-41.7177.3-63.4158000110.8T767 L770 K771 A774 K828 G829 I830 Y834 S835 A836T767-I832 HydrophobicContact CG2-CD1 3.79Å; L770-I832 HydrophobicContact CB-CB 4.46Å; L770-I832 HydrophobicContact CB-CG2 3.73Å; K771-I832 HydrophobicContact CD-CD1 4.5Å; K771-I832 HydrophobicContact CG-CD1 3.91Å; K771-I832 HydrophobicContact CG-CG1 4.29Å; K771-I832 HydrophobicContact CG-CG2 4.15Å; A774-I832 HydrophobicContact CB-CG2 4.17Å; K828-I832 HydrophobicContact CG-CD1 4.42Å; K828-I832 WeakPolarHBondContact O-CD1 3.24Å; K828-I832 WeakPolarHBondContact O-CG1 3.28Å; K828-I832 PolarHBondContact O-N 2.96Å; G829-I832 PolarHBondContact O-N 2.88Å; G829-I832 VanDerWaalsContact O-N 3.1Å; I830-I832 VanDerWaalsContact C-N 3.3Å; I830-I832 PolarHBondContact O-N 3.29Å; I832-Y834 VanDerWaalsContact C-N 3.32Å; I832-Y834 PolarHBondContact O-N 3.28Å; I832-S835 PolarHBondContact O-N 3.34Å; I832-A836 WeakPolarHBondContact O-CB 3.11Å; I832-A836 PolarHBondContact O-N 2.86Å
833C90.6Very high85.8Confident2 Ų225.3 Ų25.31%0.01414%0.136CC..Hα-helixtrans-59.9-40.9174.3-680000112V804 Y807 G829 I830 A836 L837 M869V804-C833 HydrophobicContact CG1-CB 4.25Å; Y807-C833 VanDerWaalsContact CD1-SG 3.59Å; G829-C833 PolarHBondContact O-N 2.96Å; G829-C833 PolarHBondContact O-SG 3.22Å; I830-C833 WeakPolarHBondContact O-CB 3.24Å; I830-C833 PolarHBondContact O-N 3.45Å; C833-A836 PolarHBondContact O-N 2.95Å; C833-L837 WeakPolarHBondContact O-CB 3.29Å; C833-L837 PolarHBondContact O-N 2.67Å; C833-M869 HydrophobicContact CB-CE 4.35Å; C833-M869 HydrophobicContact CB-SD 4.43Å
834Y90.9Very high85.6Confident3 Ų329.7 Ų29.71%0.01216%0.163CC..Hα-helixtrans-63.9-41.9174.6-66.9-14.1000112.1I830 S831 I832 L837 K838 F866 M869 L870 L884 Y888 L891I830-Y834 HydrophobicContact CG2-CD1 4.35Å; I830-Y834 HydrophobicContact CG2-CD2 4.06Å; I830-Y834 HydrophobicContact CG2-CE1 3.81Å; I830-Y834 HydrophobicContact CG2-CE2 3.49Å; I830-Y834 VanDerWaalsContact CG2-CE2 3.49Å; I830-Y834 HydrophobicContact CG2-CG 4.46Å; I830-Y834 PolarHBondContact O-N 3.38Å; S831-Y834 PolarHBondContact O-N 2.96Å; I832-Y834 VanDerWaalsContact C-N 3.32Å; I832-Y834 PolarHBondContact O-N 3.28Å; Y834-L837 PolarHBondContact O-N 2.98Å; Y834-K838 WeakPolarHBondContact O-CB 3.49Å; Y834-K838 PolarHBondContact O-N 3.47Å; Y834-F866 AromaticContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CE2 4.19Å; Y834-F866 AromaticContact CE1-CD2 3.5Å; Y834-F866 HydrophobicContact CE1-CD2 3.5Å; Y834-F866 VanDerWaalsContact CE1-CD2 3.5Å; Y834-F866 AromaticContact CE1-CE2 3.86Å; Y834-F866 HydrophobicContact CE1-CE2 3.86Å; Y834-M869 HydrophobicContact CE1-CB 4.23Å; Y834-M869 HydrophobicContact CE1-CE 4.3Å; Y834-L870 WeakPolarHBondContact OH-CA 3.33Å; Y834-L870 PolarHBondContact OH-N 3.09Å; Y834-L884 HydrophobicContact CD2-CD1 4.17Å; Y834-L884 HydrophobicContact CE2-CD1 4.14Å; Y834-Y888 HydrophobicContact CD2-CD2 4.39Å; Y834-Y888 HydrophobicContact CE2-CD2 4.1Å; Y834-L891 HydrophobicContact CD1-CD2 3.88Å; Y834-L891 HydrophobicContact CG-CD2 3.98Å
835S89.2Confident85.6Confident47 Ų4728.8 Ų28.833%0.32915%0.153SC..Hα-helixtrans-64-39.8174.7-1730000112.5S831 I832 S839S831-S835 PolarHBondContact O-N 3.16Å; I832-S835 PolarHBondContact O-N 3.34Å; S835-S839 PolarHBondContact O-N 2.86Å; S835-S839 VanDerWaalsContact O-N 3.07Å; S835-S839 PolarHBondContact O-OG 3.14Å
836A89.4Confident85.6Confident3 Ų326.1 Ų26.13%0.02514%0.141CC..Hα-helixtrans-63.5-48.4176.800000110.7A774 M777 I832 C833 K838 S839 A840A774-A836 HydrophobicContact CB-CB 3.79Å; M777-A836 WeakPolarHBondContact CE-O 3.48Å; M777-A836 HydrophobicContact SD-CB 3.84Å; I832-A836 WeakPolarHBondContact O-CB 3.11Å; I832-A836 PolarHBondContact O-N 2.86Å; C833-A836 PolarHBondContact O-N 2.95Å; A836-K838 VanDerWaalsContact C-N 3.34Å; A836-K838 PolarHBondContact O-N 3.01Å; A836-S839 WeakPolarHBondContact O-CB 3.28Å; A836-S839 PolarHBondContact O-N 2.82Å; A836-A840 PolarHBondContact O-N 3.12Å
837L89.5Confident85.4Confident8 Ų828.6 Ų28.64%0.04216%0.163CC..Hα-helixtrans-61.6-42.5178.1-175.256.1000111.7C833 Y834 S839 A840 L841 V862 F866 L891C833-L837 WeakPolarHBondContact O-CB 3.29Å; C833-L837 PolarHBondContact O-N 2.67Å; Y834-L837 PolarHBondContact O-N 2.98Å; L837-S839 VanDerWaalsContact C-N 3.35Å; L837-S839 PolarHBondContact O-N 3.07Å; L837-A840 WeakPolarHBondContact O-CB 3.32Å; L837-A840 PolarHBondContact O-N 3.48Å; L837-L841 HydrophobicContact CD1-CD1 4.23Å; L837-L841 HydrophobicContact CD1-CD2 4.46Å; L837-L841 HydrophobicContact CD1-CG 4.14Å; L837-L841 HydrophobicContact CG-CD1 4.09Å; L837-L841 HydrophobicContact CG-CG 4.4Å; L837-L841 WeakPolarHBondContact O-CG 3.42Å; L837-L841 PolarHBondContact O-N 3.5Å; L837-V862 HydrophobicContact CD1-CG1 3.35Å; L837-V862 HydrophobicContact CD2-CG1 3.96Å; L837-V862 HydrophobicContact CG-CG1 4.3Å; L837-F866 HydrophobicContact CD2-CB 4.13Å; L837-F866 HydrophobicContact CD2-CD2 4.46Å; L837-F866 HydrophobicContact CD2-CG 4.44Å; L837-L891 HydrophobicContact CB-CD1 4.12Å; L837-L891 HydrophobicContact CB-CD2 4.37Å; L837-L891 HydrophobicContact CD2-CD1 4.02Å; L837-L891 HydrophobicContact CD2-CD2 4.04Å; L837-L891 HydrophobicContact CG-CD1 3.77Å; L837-L891 HydrophobicContact CG-CD2 4.43Å
838K89.2Confident85.2Confident74 Ų7429.8 Ų29.832%0.32217%0.168SC..Hα-helixtrans-55.8-50.4174.2-177.8-155.4175.1179.70111Y834 A836 A840 L841 C842 P890 L891Y834-K838 WeakPolarHBondContact O-CB 3.49Å; Y834-K838 PolarHBondContact O-N 3.47Å; A836-K838 VanDerWaalsContact C-N 3.34Å; A836-K838 PolarHBondContact O-N 3.01Å; K838-A840 VanDerWaalsContact C-N 3.27Å; K838-A840 PolarHBondContact O-N 3.46Å; K838-L841 PolarHBondContact O-N 2.92Å; K838-C842 WeakPolarHBondContact O-CB 3.48Å; K838-C842 PolarHBondContact O-N 2.84Å; K838-P890 HydrophobicContact CD-CB 3.93Å; K838-L891 HydrophobicContact CB-CB 4.17Å; K838-L891 HydrophobicContact CB-CD1 4.24Å
839S86Confident84.5Confident21 Ų2128.6 Ų28.615%0.14718%0.177CC..Hα-helixtrans-60.2-35.8178.4-69.10000112.9S835 A836 L837 G843S835-S839 PolarHBondContact O-N 2.86Å; S835-S839 VanDerWaalsContact O-N 3.07Å; S835-S839 PolarHBondContact O-OG 3.14Å; A836-S839 WeakPolarHBondContact O-CB 3.28Å; A836-S839 PolarHBondContact O-N 2.82Å; L837-S839 VanDerWaalsContact C-N 3.35Å; L837-S839 PolarHBondContact O-N 3.07Å; S839-G843 WeakPolarHBondContact O-CA 3.46Å; S839-G843 PolarHBondContact O-N 3.2Å; S839-G843 VanDerWaalsContact O-N 3.14Å
840A86.1Confident84Confident1 Ų130.4 Ų30.41%0.00819%0.187CC..Hα-helixtrans-63.4-52.1173.600000112.7M777 F797 A836 L837 K838 G843M777-A840 HydrophobicContact CE-CB 3.11Å; F797-A840 HydrophobicContact CD2-CB 3.87Å; F797-A840 HydrophobicContact CE2-CB 3.93Å; A836-A840 PolarHBondContact O-N 3.12Å; L837-A840 WeakPolarHBondContact O-CB 3.32Å; L837-A840 PolarHBondContact O-N 3.48Å; K838-A840 VanDerWaalsContact C-N 3.27Å; K838-A840 PolarHBondContact O-N 3.46Å; A840-G843 PolarHBondContact O-N 3.13Å
841L84.4Confident83.6Confident5 Ų530.6 Ų30.63%0.02619%0.188CC..Hα-helixtrans-69-42.8-172.5-63.1177.3000111.3L837 K838 G843 F848 F859 L891 C894 L895L837-L841 HydrophobicContact CD1-CD1 4.23Å; L837-L841 HydrophobicContact CD1-CD2 4.46Å; L837-L841 HydrophobicContact CD1-CG 4.14Å; L837-L841 HydrophobicContact CG-CD1 4.09Å; L837-L841 HydrophobicContact CG-CG 4.4Å; L837-L841 WeakPolarHBondContact O-CG 3.42Å; L837-L841 PolarHBondContact O-N 3.5Å; K838-L841 PolarHBondContact O-N 2.92Å; L841-G843 VanDerWaalsContact C-N 3.31Å; L841-G843 PolarHBondContact O-N 2.94Å; L841-F848 HydrophobicContact CD2-CE1 4.26Å; L841-F848 HydrophobicContact CD2-CE2 3.97Å; L841-F848 HydrophobicContact CD2-CZ 3.74Å; L841-F859 HydrophobicContact CD2-CE2 3.9Å; L841-L891 HydrophobicContact CD1-CD1 3.86Å; L841-C894 HydrophobicContact CB-CB 4.4Å; L841-L895 HydrophobicContact CD1-CD2 3.57Å; L841-L895 HydrophobicContact CD1-CG 4.06Å
842C82.5Confident82.9Confident56 Ų5636.8 Ų36.838%0.37821%0.214SC..THydrogen-bonded Turntrans-84.8-0.7-179-87.80000113.3K838 C894K838-C842 WeakPolarHBondContact O-CB 3.48Å; K838-C842 PolarHBondContact O-N 2.84Å; C842-C894 WeakPolarHBondContact CB-SG 3.47Å; C842-C894 WeakPolarHBondContact SG-CB 3.49Å; C842-C894 CovalentContact SG-SG 2.08Å; C842-C894 PolarHBondContact SG-SG 3.31Å
843G74.9Confident82.1Confident4 Ų443 Ų434%0.04125%0.246CC..THydrogen-bonded Turntrans-78.2-14.9-174.300000115.8N779 S839 A840 L841 Y845N779-G843 PolarHBondContact ND2-O 2.86Å; S839-G843 WeakPolarHBondContact O-CA 3.46Å; S839-G843 PolarHBondContact O-N 3.2Å; S839-G843 VanDerWaalsContact O-N 3.14Å; A840-G843 PolarHBondContact O-N 3.13Å; L841-G843 VanDerWaalsContact C-N 3.31Å; L841-G843 PolarHBondContact O-N 2.94Å; G843-Y845 PolarHBondContact O-N 3.21Å
844N77.5Confident81.4Confident143 Ų14352 Ų5277%0.76528%0.281SS*.  trans5614.1-179.9-65.5-26.8000116.7
845Y79.9Confident80.5Confident29 Ų2954.6 Ų54.611%0.11431%0.309CS..  trans-96-5.3179.962.5-91.6000114L784 F786 L796 G843L784-Y845 HydrophobicContact CB-CD1 3.81Å; L784-Y845 HydrophobicContact CB-CG 3.87Å; L784-Y845 HydrophobicContact CD1-CD1 3.52Å; L784-Y845 HydrophobicContact CD1-CE1 3.39Å; L784-Y845 HydrophobicContact CD1-CE2 4.5Å; L784-Y845 HydrophobicContact CD1-CG 4.17Å; L784-Y845 HydrophobicContact CG-CD1 4.3Å; L784-Y845 WeakPolarHBondContact O-CB 3.23Å; F786-Y845 HydrophobicContact CE2-CD2 4.41Å; L796-Y845 HydrophobicContact CD2-CE2 4.05Å; G843-Y845 PolarHBondContact O-N 3.21Å
846V79.7Confident80.1Confident13 Ų1354 Ų548%0.07930%0.302CS..  trans-127.7129177.1-169.80000110.7G793 I794 F797 F848 F851G793-V846 WeakPolarHBondContact O-CG2 3.4Å; I794-V846 HydrophobicContact CG1-CG1 4.33Å; F797-V846 HydrophobicContact CB-CG2 4.02Å; V846-F848 HydrophobicContact CB-CE1 4.24Å; V846-F848 HydrophobicContact CB-CZ 4.24Å; V846-F848 HydrophobicContact CG1-CD1 4.3Å; V846-F848 HydrophobicContact CG1-CE1 4.24Å; V846-F848 PolarHBondContact O-N 3.49Å; V846-F851 HydrophobicContact CG1-CE2 3.56Å; V846-F851 HydrophobicContact CG1-CZ 4.01Å
847S79.8Confident79.8Confident89 Ų8958.6 Ų58.662%0.62233%0.326SS*.  trans-84.697167.7-71.30000109.7G849 V850S847-G849 PolarHBondContact O-N 2.65Å; S847-V850 VanDerWaalsContact O-CB 3.22Å; S847-V850 WeakPolarHBondContact O-CB 3.46Å; S847-V850 VanDerWaalsContact O-CG2 3.25Å; S847-V850 WeakPolarHBondContact O-CG2 3.38Å; S847-V850 PolarHBondContact O-N 3.04Å
848F79.5Confident79.6Confident27 Ų2760 Ų6012%0.11833%0.333CS..THydrogen-bonded Turntrans-61.9-18.9-175.1-64.5-71.5000115.1F797 L841 V846 V850 F851 F859 H899F797-F848 HydrophobicContact CD1-CE1 4.32Å; F797-F848 AromaticContact CD2-CE1 3.8Å; F797-F848 HydrophobicContact CD2-CE1 3.8Å; F797-F848 HydrophobicContact CD2-CZ 4.34Å; F797-F848 HydrophobicContact CE1-CD1 4.45Å; F797-F848 HydrophobicContact CE1-CE1 4.07Å; F797-F848 AromaticContact CE2-CE1 3.54Å; F797-F848 HydrophobicContact CE2-CE1 3.54Å; F797-F848 HydrophobicContact CE2-CZ 4.16Å; F797-F848 HydrophobicContact CG-CE1 4.19Å; F797-F848 HydrophobicContact CZ-CD1 4.32Å; F797-F848 AromaticContact CZ-CE1 3.68Å; F797-F848 HydrophobicContact CZ-CE1 3.68Å; L841-F848 HydrophobicContact CD2-CE1 4.26Å; L841-F848 HydrophobicContact CD2-CE2 3.97Å; L841-F848 HydrophobicContact CD2-CZ 3.74Å; V846-F848 HydrophobicContact CB-CE1 4.24Å; V846-F848 HydrophobicContact CB-CZ 4.24Å; V846-F848 HydrophobicContact CG1-CD1 4.3Å; V846-F848 HydrophobicContact CG1-CE1 4.24Å; V846-F848 PolarHBondContact O-N 3.49Å; F848-V850 PolarHBondContact O-N 2.79Å; F848-F851 HydrophobicContact CD1-CD2 4.08Å; F848-F851 AromaticContact CD1-CE2 3.84Å; F848-F851 HydrophobicContact CD1-CE2 3.84Å; F848-F851 HydrophobicContact CE1-CE2 4.36Å; F848-F851 PolarHBondContact O-N 3.1Å; F848-F859 HydrophobicContact CB-CD2 4.38Å; F848-F859 HydrophobicContact CB-CE2 4.17Å; F848-F859 HydrophobicContact CB-CZ 4.35Å; F848-F859 AromaticContact CD1-CD2 3.33Å; F848-F859 HydrophobicContact CD1-CD2 3.33Å; F848-F859 AromaticContact CD1-CE2 3.43Å; F848-F859 HydrophobicContact CD1-CE2 3.43Å; F848-F859 VanDerWaalsContact CD1-CE2 3.43Å; F848-F859 HydrophobicContact CD1-CG 4.24Å; F848-F859 HydrophobicContact CD1-CZ 4.39Å; F848-F859 HydrophobicContact CD2-CE2 4.42Å; F848-F859 AromaticContact CE1-CD2 3.84Å; F848-F859 HydrophobicContact CE1-CD2 3.84Å; F848-F859 AromaticContact CE1-CE2 3.89Å; F848-F859 HydrophobicContact CE1-CE2 3.89Å; F848-F859 HydrophobicContact CG-CD2 4.04Å; F848-F859 AromaticContact CG-CE2 3.74Å; F848-F859 HydrophobicContact CG-CE2 3.74Å; F848-F859 HydrophobicContact CG-CZ 4.32Å; F848-H899 AromaticContact CD2-CE1 3.65Å; F848-H899 AromaticContact CD2-NE2 3.72Å
849G71.6Confident79.4Confident49 Ų4957.1 Ų57.151%0.50532%0.32SS..Hα-helixtrans-61.6-23.8172.100000113.7S847 K852 L853S847-G849 PolarHBondContact O-N 2.65Å; G849-K852 PolarHBondContact O-N 3.14Å; G849-L853 WeakPolarHBondContact O-CG 3.47Å; G849-L853 PolarHBondContact O-N 3.42Å
850V76.8Confident79.3Confident38 Ų3859 Ų5923%0.2333%0.329CS..Hα-helixtrans-64.3-39.7179.3176.30000111.5I794 S847 F848 K852 L853 Y854I794-V850 HydrophobicContact CD1-CG1 3.95Å; S847-V850 VanDerWaalsContact O-CB 3.22Å; S847-V850 WeakPolarHBondContact O-CB 3.46Å; S847-V850 VanDerWaalsContact O-CG2 3.25Å; S847-V850 WeakPolarHBondContact O-CG2 3.38Å; S847-V850 PolarHBondContact O-N 3.04Å; F848-V850 PolarHBondContact O-N 2.79Å; V850-K852 VanDerWaalsContact C-N 3.29Å; V850-K852 PolarHBondContact O-N 2.95Å; V850-L853 PolarHBondContact O-N 2.65Å; V850-Y854 HydrophobicContact CG1-CD2 3.44Å; V850-Y854 VanDerWaalsContact CG1-CD2 3.44Å; V850-Y854 HydrophobicContact CG1-CE2 3.57Å; V850-Y854 WeakPolarHBondContact O-CD2 3.33Å; V850-Y854 PolarHBondContact O-N 2.96Å
851F80.4Confident79.3Confident4 Ų462.4 Ų62.42%0.01835%0.347CS..Hα-helixtrans-58.8-40.7179.1-66.4-73.1000112.3I794 F797 V846 F848 L853 Y854 G855 D856 F859I794-F851 HydrophobicContact CG2-CE1 3.77Å; I794-F851 HydrophobicContact CG2-CZ 3.84Å; F797-F851 HydrophobicContact CB-CZ 4.42Å; F797-F851 HydrophobicContact CD1-CE1 4.09Å; F797-F851 AromaticContact CD1-CE2 3.66Å; F797-F851 HydrophobicContact CD1-CE2 3.66Å; F797-F851 AromaticContact CD1-CZ 3.32Å; F797-F851 HydrophobicContact CD1-CZ 3.32Å; F797-F851 AromaticContact CE1-CE2 3.95Å; F797-F851 HydrophobicContact CE1-CE2 3.95Å; F797-F851 AromaticContact CE1-CZ 3.95Å; F797-F851 HydrophobicContact CE1-CZ 3.95Å; F797-F851 HydrophobicContact CG-CE2 4.47Å; F797-F851 HydrophobicContact CG-CZ 4.18Å; V846-F851 HydrophobicContact CG1-CE2 3.56Å; V846-F851 HydrophobicContact CG1-CZ 4.01Å; F848-F851 HydrophobicContact CD1-CD2 4.08Å; F848-F851 AromaticContact CD1-CE2 3.84Å; F848-F851 HydrophobicContact CD1-CE2 3.84Å; F848-F851 HydrophobicContact CE1-CE2 4.36Å; F848-F851 PolarHBondContact O-N 3.1Å; F851-L853 PolarHBondContact O-N 3.47Å; F851-Y854 PolarHBondContact O-N 2.88Å; F851-G855 PolarHBondContact O-N 2.93Å; F851-G855 VanDerWaalsContact O-N 3.12Å; F851-D856 HydrophobicContact CB-CB 4.37Å; F851-D856 HydrophobicContact CD1-CB 3.86Å; F851-D856 PolarHBondContact O-N 3.23Å; F851-F859 HydrophobicContact CB-CB 4.3Å; F851-F859 HydrophobicContact CD2-CB 4.13Å; F851-F859 HydrophobicContact CG-CB 4.23Å
852K74.4Confident79.4Confident140 Ų14062.3 Ų62.361%0.60935%0.346SS*.Hα-helixtrans-68.2-33.7176.2-65.8-175.4179.7-177.80113G849 V850G849-K852 PolarHBondContact O-N 3.14Å; V850-K852 VanDerWaalsContact C-N 3.29Å; V850-K852 PolarHBondContact O-N 2.95Å
853L72.4Confident79.6Confident146 Ų14659.8 Ų59.876%0.76433%0.329SS*.Hα-helixtrans-71.3-36.3178.6-69.6171.3000112.5G849 V850 F851G849-L853 WeakPolarHBondContact O-CG 3.47Å; G849-L853 PolarHBondContact O-N 3.42Å; V850-L853 PolarHBondContact O-N 2.65Å; F851-L853 PolarHBondContact O-N 3.47Å
854Y75.4Confident80.2Confident192 Ų19264.7 Ų64.775%0.75335%0.351SS*.Hα-helixtrans-93.22.5-179.6-72.2-80.4000114V850 F851 D856V850-Y854 HydrophobicContact CG1-CD2 3.44Å; V850-Y854 VanDerWaalsContact CG1-CD2 3.44Å; V850-Y854 HydrophobicContact CG1-CE2 3.57Å; V850-Y854 WeakPolarHBondContact O-CD2 3.33Å; V850-Y854 PolarHBondContact O-N 2.96Å; F851-Y854 PolarHBondContact O-N 2.88Å; Y854-D856 VanDerWaalsContact C-N 3.28Å; Y854-D856 PolarHBondContact O-N 3.39Å
855G72Confident80.6Confident57 Ų5758 Ų5859%0.58832%0.315SS*.THydrogen-bonded Turntrans68.525.9-178.600000113.8F851F851-G855 PolarHBondContact O-N 2.93Å; F851-G855 VanDerWaalsContact O-N 3.12Å
856D80.5Confident81.1Confident36 Ų3656.7 Ų56.719%0.19331%0.31CS..  trans-90.1120.9179.9-176.1-31.6000110.4F851 Y854 H858F851-D856 HydrophobicContact CB-CB 4.37Å; F851-D856 HydrophobicContact CD1-CB 3.86Å; F851-D856 PolarHBondContact O-N 3.23Å; Y854-D856 VanDerWaalsContact C-N 3.28Å; Y854-D856 PolarHBondContact O-N 3.39Å; D856-H858 VanDerWaalsContact CG-ND1 3.33Å; D856-H858 WeakPolarHBondContact OD1-CB 3.46Å; D856-H858 IonicContact OD1-CE1 2.73Å; D856-H858 IonicContact OD1-CG 3.91Å; D856-H858 PolarHBondContact OD1-N 3.41Å; D856-H858 IonicContact OD1-ND1 2.75Å; D856-H858 PolarHBondContact OD1-ND1 2.9Å; D856-H858 IonicContact OD2-ND1 2.79Å; D856-H858 PolarHBondContact OD2-ND1 3.09Å
857N84.1Confident81.4Confident99 Ų9957 Ų5753%0.52931%0.312SS..  trans-90.42.9-175.8-62.5-26.8000114.5F859 D860 N861N857-F859 VanDerWaalsContact C-N 3.26Å; N857-F859 PolarHBondContact O-N 3.06Å; N857-D860 PolarHBondContact O-N 3.17Å; N857-N861 WeakPolarHBondContact O-CB 3.33Å; N857-N861 PolarHBondContact O-N 3.4Å; N857-N861 PolarHBondContact O-ND2 2.67Å
858H83.7Confident81.8Confident38 Ų3857.5 Ų57.518%0.17630%0.303CS..Hα-helixtrans-62.7-31.9-175.3-70.885.3000112.8R798 S801 D856 V862R798-H858 PolarHBondContact NE-CE1 2.92Å; R798-H858 PolarHBondContact NE-NE2 3Å; S801-H858 PolarHBondContact OG-O 2.87Å; D856-H858 VanDerWaalsContact CG-ND1 3.33Å; D856-H858 WeakPolarHBondContact OD1-CB 3.46Å; D856-H858 IonicContact OD1-CE1 2.73Å; D856-H858 IonicContact OD1-CG 3.91Å; D856-H858 PolarHBondContact OD1-N 3.41Å; D856-H858 IonicContact OD1-ND1 2.75Å; D856-H858 PolarHBondContact OD1-ND1 2.9Å; D856-H858 IonicContact OD2-ND1 2.79Å; D856-H858 PolarHBondContact OD2-ND1 3.09Å; H858-V862 PolarHBondContact O-N 3.46Å
859F84.9Confident82.2Confident13 Ų1356.3 Ų56.36%0.05730%0.298CS..Hα-helixtrans-67.6-49.3175.5-178.2-108.2000111.7F797 L841 F848 F851 N857 N861 V862 L863 H899F797-F859 HydrophobicContact CE1-CB 4.2Å; F797-F859 HydrophobicContact CE1-CD2 4.12Å; F797-F859 AromaticContact CZ-CD2 3.76Å; F797-F859 HydrophobicContact CZ-CD2 3.76Å; L841-F859 HydrophobicContact CD2-CE2 3.9Å; F848-F859 HydrophobicContact CB-CD2 4.38Å; F848-F859 HydrophobicContact CB-CE2 4.17Å; F848-F859 HydrophobicContact CB-CZ 4.35Å; F848-F859 AromaticContact CD1-CD2 3.33Å; F848-F859 HydrophobicContact CD1-CD2 3.33Å; F848-F859 AromaticContact CD1-CE2 3.43Å; F848-F859 HydrophobicContact CD1-CE2 3.43Å; F848-F859 VanDerWaalsContact CD1-CE2 3.43Å; F848-F859 HydrophobicContact CD1-CG 4.24Å; F848-F859 HydrophobicContact CD1-CZ 4.39Å; F848-F859 HydrophobicContact CD2-CE2 4.42Å; F848-F859 AromaticContact CE1-CD2 3.84Å; F848-F859 HydrophobicContact CE1-CD2 3.84Å; F848-F859 AromaticContact CE1-CE2 3.89Å; F848-F859 HydrophobicContact CE1-CE2 3.89Å; F848-F859 HydrophobicContact CG-CD2 4.04Å; F848-F859 AromaticContact CG-CE2 3.74Å; F848-F859 HydrophobicContact CG-CE2 3.74Å; F848-F859 HydrophobicContact CG-CZ 4.32Å; F851-F859 HydrophobicContact CB-CB 4.3Å; F851-F859 HydrophobicContact CD2-CB 4.13Å; F851-F859 HydrophobicContact CG-CB 4.23Å; N857-F859 VanDerWaalsContact C-N 3.26Å; N857-F859 PolarHBondContact O-N 3.06Å; F859-N861 PolarHBondContact O-N 3.11Å; F859-V862 PolarHBondContact O-N 3.04Å; F859-L863 HydrophobicContact CD1-CD1 3.99Å; F859-L863 HydrophobicContact CE1-CD1 3.48Å; F859-L863 VanDerWaalsContact CE1-CD1 3.48Å; F859-L863 HydrophobicContact CE2-CD1 4.32Å; F859-L863 HydrophobicContact CZ-CD1 3.67Å; F859-L863 HydrophobicContact CZ-CG 4.45Å; F859-L863 WeakPolarHBondContact O-CG 3.43Å; F859-L863 PolarHBondContact O-N 3.29Å; F859-H899 AromaticContact CZ-CE1 3.63Å; F859-H899 AromaticContact CZ-ND1 3.67Å
860D84.4Confident82.9Confident61 Ų6154 Ų5433%0.32627%0.274SS..Hα-helixtrans-66.8-37.3-179.2-66.3-32.4000111.7N857 V862 L863 Q864N857-D860 PolarHBondContact O-N 3.17Å; D860-V862 PolarHBondContact O-N 2.95Å; D860-L863 PolarHBondContact O-N 2.76Å; D860-Q864 WeakPolarHBondContact O-CG 3.36Å; D860-Q864 PolarHBondContact O-N 3.36Å
861N86.4Confident83.3Confident72 Ų7256.8 Ų56.839%0.38529%0.287SS..Hα-helixtrans-60.7-42.6176.6-72-19.5000112.6N857 F859 Q864 A865N857-N861 WeakPolarHBondContact O-CB 3.33Å; N857-N861 PolarHBondContact O-N 3.4Å; N857-N861 PolarHBondContact O-ND2 2.67Å; F859-N861 PolarHBondContact O-N 3.11Å; N861-Q864 PolarHBondContact O-N 3.31Å; N861-A865 WeakPolarHBondContact O-CB 3.49Å; N861-A865 PolarHBondContact O-N 3.32Å
862V87.5Confident83.5Confident3 Ų358.1 Ų58.12%0.01830%0.297CS..Hα-helixtrans-65.8-40.9177.4145.80000112S801 V804 L837 H858 F859 D860 Q864 A865 F866S801-V862 VanDerWaalsContact CB-CG2 3.41Å; S801-V862 WeakPolarHBondContact O-CG2 3.34Å; S801-V862 WeakPolarHBondContact OG-CG2 3.15Å; V804-V862 HydrophobicContact CB-CG2 4.41Å; L837-V862 HydrophobicContact CD1-CG1 3.35Å; L837-V862 HydrophobicContact CD2-CG1 3.96Å; L837-V862 HydrophobicContact CG-CG1 4.3Å; H858-V862 PolarHBondContact O-N 3.46Å; F859-V862 PolarHBondContact O-N 3.04Å; D860-V862 PolarHBondContact O-N 2.95Å; V862-Q864 VanDerWaalsContact C-N 3.32Å; V862-A865 PolarHBondContact O-N 3.17Å; V862-F866 PolarHBondContact O-N 3.31Å
863L86.4Confident83.9Confident2 Ų251.8 Ų51.81%0.0127%0.27CS..Hα-helixtrans-66.4-37.4178.3-69.8179.6000111.3F859 D860 F866 V867 L895 F902F859-L863 HydrophobicContact CD1-CD1 3.99Å; F859-L863 HydrophobicContact CE1-CD1 3.48Å; F859-L863 VanDerWaalsContact CE1-CD1 3.48Å; F859-L863 HydrophobicContact CE2-CD1 4.32Å; F859-L863 HydrophobicContact CZ-CD1 3.67Å; F859-L863 HydrophobicContact CZ-CG 4.45Å; F859-L863 WeakPolarHBondContact O-CG 3.43Å; F859-L863 PolarHBondContact O-N 3.29Å; D860-L863 PolarHBondContact O-N 2.76Å; L863-F866 WeakPolarHBondContact O-CB 3.2Å; L863-F866 PolarHBondContact O-N 3.47Å; L863-V867 WeakPolarHBondContact O-CG2 3.33Å; L863-V867 PolarHBondContact O-N 2.69Å; L863-V867 VanDerWaalsContact O-N 3.08Å; L863-L895 HydrophobicContact CD2-CD2 3.84Å; L863-F902 HydrophobicContact CB-CD2 4.14Å; L863-F902 HydrophobicContact CB-CE1 4.19Å; L863-F902 HydrophobicContact CB-CE2 3.57Å; L863-F902 HydrophobicContact CB-CZ 3.59Å; L863-F902 HydrophobicContact CD1-CB 4.31Å; L863-F902 HydrophobicContact CD1-CD1 4.23Å; L863-F902 HydrophobicContact CD1-CD2 3.7Å; L863-F902 HydrophobicContact CD1-CE2 4.03Å; L863-F902 HydrophobicContact CD1-CG 3.81Å; L863-F902 HydrophobicContact CD1-CZ 4.42Å; L863-F902 HydrophobicContact CD2-CD1 4.25Å; L863-F902 HydrophobicContact CD2-CE1 4.1Å; L863-F902 HydrophobicContact CD2-CZ 4.38Å; L863-F902 HydrophobicContact CG-CD2 4.46Å; L863-F902 HydrophobicContact CG-CE2 4.33Å; L863-F902 HydrophobicContact CG-CZ 4.35Å
864Q86.4Confident84.4Confident108 Ų10847.2 Ų47.251%0.50525%0.25SS..Hα-helixtrans-65.1-42.1170.7-70.4178.29.700112.2D860 N861 V862 F866 V867 K868D860-Q864 WeakPolarHBondContact O-CG 3.36Å; D860-Q864 PolarHBondContact O-N 3.36Å; N861-Q864 PolarHBondContact O-N 3.31Å; V862-Q864 VanDerWaalsContact C-N 3.32Å; Q864-F866 VanDerWaalsContact C-N 3.31Å; Q864-F866 PolarHBondContact O-N 2.9Å; Q864-V867 PolarHBondContact O-N 3.42Å; Q864-K868 WeakPolarHBondContact O-CG 3.47Å; Q864-K868 PolarHBondContact O-N 3.04Å
865A87Confident84.5Confident2 Ų240.4 Ų40.42%0.01723%0.225CC..Hα-helixtrans-61.8-39.8175.300000111.7N861 V862 K868 M869N861-A865 WeakPolarHBondContact O-CB 3.49Å; N861-A865 PolarHBondContact O-N 3.32Å; V862-A865 PolarHBondContact O-N 3.17Å; A865-K868 PolarHBondContact O-N 3.08Å; A865-M869 WeakPolarHBondContact O-CE 3.34Å; A865-M869 WeakPolarHBondContact O-CG 3.3Å; A865-M869 PolarHBondContact O-N 3.48Å
866F88.8Confident84.7Confident1 Ų141.6 Ų41.60%0.00422%0.224CC..Hα-helixtrans-57-49.7172.1163.9-102.5000111.7Y834 L837 V862 L863 Q864 K868 M869 L870 Y888 L891 L895Y834-F866 AromaticContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CE2 4.19Å; Y834-F866 AromaticContact CE1-CD2 3.5Å; Y834-F866 HydrophobicContact CE1-CD2 3.5Å; Y834-F866 VanDerWaalsContact CE1-CD2 3.5Å; Y834-F866 AromaticContact CE1-CE2 3.86Å; Y834-F866 HydrophobicContact CE1-CE2 3.86Å; L837-F866 HydrophobicContact CD2-CB 4.13Å; L837-F866 HydrophobicContact CD2-CD2 4.46Å; L837-F866 HydrophobicContact CD2-CG 4.44Å; V862-F866 PolarHBondContact O-N 3.31Å; L863-F866 WeakPolarHBondContact O-CB 3.2Å; L863-F866 PolarHBondContact O-N 3.47Å; Q864-F866 VanDerWaalsContact C-N 3.31Å; Q864-F866 PolarHBondContact O-N 2.9Å; F866-K868 PolarHBondContact O-N 3.5Å; F866-M869 PolarHBondContact O-N 3.48Å; F866-L870 HydrophobicContact CE1-CD2 4.34Å; F866-L870 HydrophobicContact CZ-CD2 4.19Å; F866-L870 WeakPolarHBondContact O-CB 3.42Å; F866-L870 PolarHBondContact O-N 2.92Å; F866-Y888 HydrophobicContact CE2-CD2 4.32Å; F866-Y888 HydrophobicContact CE2-CE2 4.31Å; F866-Y888 HydrophobicContact CZ-CE2 4.09Å; F866-L891 HydrophobicContact CD2-CD2 3.71Å; F866-L891 HydrophobicContact CE2-CD2 3.54Å; F866-L891 HydrophobicContact CE2-CG 4.34Å; F866-L891 HydrophobicContact CZ-CD2 4.46Å; F866-L895 HydrophobicContact CD1-CD1 4.31Å; F866-L895 HydrophobicContact CE1-CD1 3.8Å; F866-L895 HydrophobicContact CZ-CD1 3.96Å
867V87.3Confident84.6Confident21 Ų2141.6 Ų41.613%0.12722%0.224CC..Hα-helixtrans-61.3-44178.7171.60000111.6L863 Q864 M869 L870 L871 F902 L906 V910L863-V867 WeakPolarHBondContact O-CG2 3.33Å; L863-V867 PolarHBondContact O-N 2.69Å; L863-V867 VanDerWaalsContact O-N 3.08Å; Q864-V867 PolarHBondContact O-N 3.42Å; V867-M869 PolarHBondContact O-N 3.27Å; V867-L870 WeakPolarHBondContact O-CB 3.37Å; V867-L870 PolarHBondContact O-N 3.12Å; V867-L871 HydrophobicContact CG1-CD1 4.18Å; V867-L871 WeakPolarHBondContact O-CG 3.5Å; V867-L871 PolarHBondContact O-N 3.17Å; V867-F902 HydrophobicContact CG2-CE1 4.49Å; V867-F902 HydrophobicContact CG2-CZ 3.82Å; V867-L906 HydrophobicContact CG2-CD2 3.65Å; V867-V910 HydrophobicContact CG1-CG1 3.77Å; V867-V910 HydrophobicContact CG1-CG2 3.95Å; V867-V910 HydrophobicContact CG2-CG1 4.39Å
868K87.3Confident84.4Confident99 Ų9937 Ų3743%0.4320%0.2SC..Hα-helixtrans-62.1-42177.6-69.4175.5-179.9178.10112.2N809 L812 Q864 A865 F866 S872N809-K868 PolarHBondContact OD1-NZ 2.93Å; L812-K868 HydrophobicContact CD1-CB 3.65Å; L812-K868 HydrophobicContact CD1-CD 4.48Å; Q864-K868 WeakPolarHBondContact O-CG 3.47Å; Q864-K868 PolarHBondContact O-N 3.04Å; A865-K868 PolarHBondContact O-N 3.08Å; F866-K868 PolarHBondContact O-N 3.5Å; K868-S872 PolarHBondContact O-N 2.93Å
869M88.1Confident84Confident2 Ų238.1 Ų38.11%0.0121%0.206CC..Hα-helixtrans-65.8-39.4175-72.9-174.9-71.800111.7V804 I830 C833 Y834 A865 F866 V867 S872V804-M869 HydrophobicContact CG1-CE 4.04Å; I830-M869 HydrophobicContact CG1-CG 4.48Å; I830-M869 HydrophobicContact CG1-SD 4.22Å; I830-M869 HydrophobicContact CG2-CB 4.28Å; I830-M869 HydrophobicContact CG2-SD 4.49Å; C833-M869 HydrophobicContact CB-CE 4.35Å; C833-M869 HydrophobicContact CB-SD 4.43Å; Y834-M869 HydrophobicContact CE1-CB 4.23Å; Y834-M869 HydrophobicContact CE1-CE 4.3Å; A865-M869 WeakPolarHBondContact O-CE 3.34Å; A865-M869 WeakPolarHBondContact O-CG 3.3Å; A865-M869 PolarHBondContact O-N 3.48Å; F866-M869 PolarHBondContact O-N 3.48Å; V867-M869 PolarHBondContact O-N 3.27Å; M869-S872 WeakPolarHBondContact O-CB 3.26Å; M869-S872 PolarHBondContact O-N 3.45Å; M869-S872 VanDerWaalsContact O-N 3.16Å; M869-S872 PolarHBondContact O-OG 2.87Å
870L86Confident83.6Confident1 Ų143.8 Ų43.81%0.00523%0.233CC..Hα-helixtrans-60.5-47.7178.7-176.162.1000112Y834 F866 V867 S872 V873 Y888 Y913 V914Y834-L870 WeakPolarHBondContact OH-CA 3.33Å; Y834-L870 PolarHBondContact OH-N 3.09Å; F866-L870 HydrophobicContact CE1-CD2 4.34Å; F866-L870 HydrophobicContact CZ-CD2 4.19Å; F866-L870 WeakPolarHBondContact O-CB 3.42Å; F866-L870 PolarHBondContact O-N 2.92Å; V867-L870 WeakPolarHBondContact O-CB 3.37Å; V867-L870 PolarHBondContact O-N 3.12Å; L870-S872 PolarHBondContact O-N 2.96Å; L870-V873 PolarHBondContact O-N 2.88Å; L870-Y888 HydrophobicContact CD1-CD2 3.93Å; L870-Y888 HydrophobicContact CD1-CE2 3.27Å; L870-Y888 HydrophobicContact CD2-CE2 4.27Å; L870-Y888 HydrophobicContact CG-CE2 4.39Å; L870-Y913 HydrophobicContact CD1-CD1 4.07Å; L870-Y913 HydrophobicContact CD1-CE1 3.43Å; L870-Y913 VanDerWaalsContact CD1-CE1 3.43Å; L870-Y913 HydrophobicContact CD2-CD1 3.9Å; L870-Y913 HydrophobicContact CD2-CE1 4.15Å; L870-Y913 HydrophobicContact CG-CD1 3.79Å; L870-Y913 HydrophobicContact CG-CE1 3.6Å; L870-V914 HydrophobicContact CD2-CG2 3.97Å
871L86Confident83.4Confident96 Ų9643.1 Ų43.150%0.50323%0.227SC..Hα-helixtrans-66.1-16.5178.5-67.3175.5000113.6V867 V873 V910V867-L871 HydrophobicContact CG1-CD1 4.18Å; V867-L871 WeakPolarHBondContact O-CG 3.5Å; V867-L871 PolarHBondContact O-N 3.17Å; L871-V873 VanDerWaalsContact C-N 3.34Å; L871-V910 HydrophobicContact CD1-CG2 4.11Å; L871-V910 HydrophobicContact CD2-CG2 4.25Å
872S84.6Confident83Confident32 Ų3247.4 Ų47.422%0.22424%0.237CC..THydrogen-bonded Turntrans-86.5-6179.586.90000114.1K826 K868 M869 L870K826-S872 WeakPolarHBondContact CE-OG 3.39Å; K826-S872 PolarHBondContact NZ-O 3.3Å; K868-S872 PolarHBondContact O-N 2.93Å; M869-S872 WeakPolarHBondContact O-CB 3.26Å; M869-S872 PolarHBondContact O-N 3.45Å; M869-S872 VanDerWaalsContact O-N 3.16Å; M869-S872 PolarHBondContact O-OG 2.87Å; L870-S872 PolarHBondContact O-N 2.96Å
873V83.5Confident82.7Confident7 Ų753.9 Ų53.94%0.04227%0.265CS..SBendtrans-109.5137.7-178.6178.40000108.2L827 I830 L870 L871 D877 L878 L884 Y913L827-V873 HydrophobicContact CD2-CG1 4.22Å; L827-V873 HydrophobicContact CD2-CG2 3.76Å; I830-V873 HydrophobicContact CD1-CG2 4.2Å; L870-V873 PolarHBondContact O-N 2.88Å; L871-V873 VanDerWaalsContact C-N 3.34Å; V873-D877 HydrophobicContact CG1-CB 4.35Å; V873-L878 HydrophobicContact CG1-CB 4.37Å; V873-L884 HydrophobicContact CG1-CD2 3.98Å; V873-Y913 PolarHBondContact O-OH 3.23Å
874S82.6Confident82.7Confident50 Ų5053.9 Ų53.935%0.3527%0.265SS..  trans-84153.9174.377.80000111.5S876 D877 L878S874-S876 VanDerWaalsContact C-N 3.27Å; S874-S876 PolarHBondContact O-N 2.98Å; S874-D877 PolarHBondContact O-N 3.23Å; S874-D877 PolarHBondContact OG-N 3.02Å; S874-D877 PolarHBondContact OG-OD2 2.91Å; S874-L878 PolarHBondContact O-N 3.49Å; S874-L878 VanDerWaalsContact O-N 3.12Å
875H77.9Confident82.6Confident49 Ų4949.1 Ų49.123%0.22724%0.244CC..Hα-helixtrans-55.1-41.7173.8-70.589.3000112.9L878 L879 Y913 E920H875-L878 WeakPolarHBondContact O-CB 3.43Å; H875-L878 PolarHBondContact O-N 3.31Å; H875-L879 PolarHBondContact O-N 2.89Å; H875-Y913 AromaticContact CE1-CD2 3.17Å; H875-Y913 WeakPolarHBondContact CE1-CD2 3.34Å; H875-Y913 AromaticContact CE1-CE2 3.19Å; H875-Y913 WeakPolarHBondContact CE1-CE2 3.41Å; H875-Y913 AromaticContact CE1-CG 3.84Å; H875-Y913 AromaticContact CE1-CZ 3.86Å; H875-Y913 AromaticContact ND1-CE2 3.59Å; H875-Y913 AromaticContact NE2-CD2 3.64Å; H875-Y913 AromaticContact NE2-CE2 3.66Å; H875-Y913 AromaticContact NE2-CG 3.86Å; H875-Y913 AromaticContact NE2-CZ 3.89Å; H875-Y913 PolarHBondContact NE2-O 3.32Å; H875-E920 WeakPolarHBondContact CB-OE2 3.29Å; H875-E920 IonicContact CD2-OE2 2.8Å; H875-E920 IonicContact CG-OE2 3.01Å
876S74.4Confident82.5Confident81 Ų8152.3 Ų52.357%0.56626%0.258SS*.Hα-helixtrans-61-46.1177.2-176.50000112.2S874 L878 L879 Q880S874-S876 VanDerWaalsContact C-N 3.27Å; S874-S876 PolarHBondContact O-N 2.98Å; S876-L878 VanDerWaalsContact C-N 3.28Å; S876-L878 PolarHBondContact O-N 3.46Å; S876-L879 PolarHBondContact O-N 3.41Å; S876-Q880 WeakPolarHBondContact O-CB 3.24Å; S876-Q880 PolarHBondContact O-N 3.32Å
877D79.8Confident82.4Confident36 Ų3653 Ų5319%0.19326%0.264CS..Hα-helixtrans-66-35.1-179.5-62.3-38.4000111.5L827 V873 S874 L879 Q880 Y881L827-D877 HydrophobicContact CD1-CB 4.16Å; V873-D877 HydrophobicContact CG1-CB 4.35Å; S874-D877 PolarHBondContact O-N 3.23Å; S874-D877 PolarHBondContact OG-N 3.02Å; S874-D877 PolarHBondContact OG-OD2 2.91Å; D877-L879 VanDerWaalsContact C-N 3.28Å; D877-L879 PolarHBondContact O-N 3.4Å; D877-Q880 PolarHBondContact O-N 2.97Å; D877-Y881 HydrophobicContact CB-CD2 4.19Å; D877-Y881 HydrophobicContact CB-CE2 4.23Å; D877-Y881 VanDerWaalsContact O-CD2 3.22Å; D877-Y881 WeakPolarHBondContact O-CD2 3.35Å; D877-Y881 PolarHBondContact O-N 3.37Å; D877-Y881 VanDerWaalsContact O-N 3.15Å
878L79Confident82.6Confident4 Ų452 Ų522%0.02126%0.257CS..Hα-helixtrans-60.7-38.6-179.8-163.9150.1000111.7V873 S874 H875 S876 S885 Y888 Y889V873-L878 HydrophobicContact CG1-CB 4.37Å; S874-L878 PolarHBondContact O-N 3.49Å; S874-L878 VanDerWaalsContact O-N 3.12Å; H875-L878 WeakPolarHBondContact O-CB 3.43Å; H875-L878 PolarHBondContact O-N 3.31Å; S876-L878 VanDerWaalsContact C-N 3.28Å; S876-L878 PolarHBondContact O-N 3.46Å; L878-S885 WeakPolarHBondContact O-CB 3.39Å; L878-Y888 HydrophobicContact CD1-CD1 3.69Å; L878-Y888 HydrophobicContact CD1-CE1 3.76Å; L878-Y888 HydrophobicContact CD1-CG 4.09Å; L878-Y888 HydrophobicContact CD2-CD1 3.85Å; L878-Y888 HydrophobicContact CD2-CE1 4.23Å; L878-Y888 HydrophobicContact CG-CD1 4.17Å; L878-Y889 HydrophobicContact CD2-CD2 4.2Å; L878-Y889 HydrophobicContact CD2-CE1 4.43Å; L878-Y889 HydrophobicContact CD2-CE2 3.27Å; L878-Y889 VanDerWaalsContact CD2-CZ 3.44Å; L878-Y889 WeakPolarHBondContact CD2-OH 3.35Å
879L74.7Confident82.7Confident60 Ų6047.3 Ų47.331%0.31424%0.237SC..Hα-helixtrans-85.4-35.1179.3-61.3174.6000113.1H875 S876 D877 Y889 E920 T924H875-L879 PolarHBondContact O-N 2.89Å; S876-L879 PolarHBondContact O-N 3.41Å; D877-L879 VanDerWaalsContact C-N 3.28Å; D877-L879 PolarHBondContact O-N 3.4Å; L879-Y889 HydrophobicContact CD2-CE2 4.41Å; L879-Y889 WeakPolarHBondContact CD2-OH 3.46Å; L879-E920 HydrophobicContact CD1-CB 3.87Å; L879-T924 HydrophobicContact CD2-CG2 3.55Å
880Q77.8Confident82.7Confident133 Ų13347.6 Ų47.662%0.62124%0.239SC*.Hα-helixtrans-66.1-38.7-179.5-172.2176.45.400112.1S876 D877S876-Q880 WeakPolarHBondContact O-CB 3.24Å; S876-Q880 PolarHBondContact O-N 3.32Å; D877-Q880 PolarHBondContact O-N 2.97Å
881Y79.9Confident82.9Confident47 Ų4747.6 Ų47.618%0.18424%0.239CC..  trans-97.196.4-176.9-63-68.8000112.8K819 Y823 L827 D877 K883 L884 S885K819-Y881 PolarHBondContact O-OH 3.3Å; Y823-Y881 AromaticContact CD2-CD1 3.32Å; Y823-Y881 HydrophobicContact CD2-CD1 3.32Å; Y823-Y881 HydrophobicContact CD2-CD2 4.05Å; Y823-Y881 AromaticContact CD2-CE1 3.75Å; Y823-Y881 HydrophobicContact CD2-CE1 3.75Å; Y823-Y881 HydrophobicContact CD2-CE2 4.41Å; Y823-Y881 AromaticContact CD2-CG 3.5Å; Y823-Y881 HydrophobicContact CD2-CG 3.5Å; Y823-Y881 VanDerWaalsContact CD2-CG 3.5Å; Y823-Y881 AromaticContact CE2-CD1 3.86Å; Y823-Y881 HydrophobicContact CE2-CD1 3.86Å; Y823-Y881 AromaticContact CE2-CG 3.93Å; Y823-Y881 HydrophobicContact CE2-CG 3.93Å; Y823-Y881 AromaticContact CG-CD1 3.81Å; Y823-Y881 HydrophobicContact CG-CD1 3.81Å; Y823-Y881 AromaticContact CG-CE1 3.8Å; Y823-Y881 HydrophobicContact CG-CE1 3.8Å; Y823-Y881 HydrophobicContact CG-CG 4.38Å; L827-Y881 HydrophobicContact CD1-CD2 3.39Å; L827-Y881 HydrophobicContact CD1-CE2 3.42Å; L827-Y881 VanDerWaalsContact CD1-CE2 3.42Å; L827-Y881 HydrophobicContact CD1-CG 4.33Å; D877-Y881 HydrophobicContact CB-CD2 4.19Å; D877-Y881 HydrophobicContact CB-CE2 4.23Å; D877-Y881 VanDerWaalsContact O-CD2 3.22Å; D877-Y881 WeakPolarHBondContact O-CD2 3.35Å; D877-Y881 PolarHBondContact O-N 3.37Å; D877-Y881 VanDerWaalsContact O-N 3.15Å; Y881-K883 VanDerWaalsContact C-N 3.31Å; Y881-K883 PolarHBondContact O-N 3.48Å; Y881-K883 VanDerWaalsContact O-N 3.08Å; Y881-L884 WeakPolarHBondContact O-CB 3.48Å; Y881-L884 PolarHBondContact O-N 3.5Å; Y881-S885 PolarHBondContact O-N 3.44Å
882R78.6Confident83.1Confident161 Ų16143 Ų4361%0.60822%0.215SC*.Hα-helixtrans-48.6-39.4-176.9-169.6176.4-174-168.3-2.7116.2L884 S885 Q886 D926R882-L884 VanDerWaalsContact C-N 3.33Å; R882-L884 PolarHBondContact O-N 3.36Å; R882-S885 WeakPolarHBondContact CA-OG 3.33Å; R882-S885 PolarHBondContact O-OG 3.19Å; R882-Q886 HydrophobicContact CG-CG 4.42Å; R882-Q886 VanDerWaalsContact NE-NE2 3.15Å; R882-Q886 WeakPolarHBondContact O-CB 3.3Å; R882-Q886 VanDerWaalsContact O-CG 3.26Å; R882-Q886 WeakPolarHBondContact O-CG 3.42Å; R882-Q886 PolarHBondContact O-N 3.13Å; R882-D926 IonicContact CZ-OD2 3.68Å; R882-D926 IonicContact NE-OD2 3.88Å; R882-D926 PolarHBondContact NE-OD2 3.04Å; R882-D926 IonicContact NH2-OD2 3.74Å; R882-D926 PolarHBondContact NH2-OD2 3.45Å
883K81.3Confident83.3Confident140 Ų14043.7 Ų43.761%0.60922%0.215SC*.Hα-helixtrans-69.6-33.1180-65.8-176.3-177.1167.70112.4Y823 S831 Y881 S887Y823-K883 WeakPolarHBondContact OH-CB 3.28Å; Y823-K883 WeakPolarHBondContact OH-CD 3.3Å; S831-K883 PolarHBondContact OG-O 3.01Å; Y881-K883 VanDerWaalsContact C-N 3.31Å; Y881-K883 PolarHBondContact O-N 3.48Å; Y881-K883 VanDerWaalsContact O-N 3.08Å; K883-S887 PolarHBondContact O-N 3.21Å; K883-S887 PolarHBondContact O-OG 3.13Å
884L85.8Confident83.4Confident1 Ų143.6 Ų43.61%0.00521%0.214CC..Hα-helixtrans-70.3-47.4177.6-179.562.7000110.1L827 I830 Y834 V873 Y881 R882 Q886 S887 Y888L827-L884 HydrophobicContact CB-CD2 4.33Å; L827-L884 HydrophobicContact CD1-CD2 4.29Å; L827-L884 HydrophobicContact CD2-CD2 4.11Å; L827-L884 HydrophobicContact CG-CD2 4.49Å; I830-L884 HydrophobicContact CG2-CD1 4.42Å; Y834-L884 HydrophobicContact CD2-CD1 4.17Å; Y834-L884 HydrophobicContact CE2-CD1 4.14Å; V873-L884 HydrophobicContact CG1-CD2 3.98Å; Y881-L884 WeakPolarHBondContact O-CB 3.48Å; Y881-L884 PolarHBondContact O-N 3.5Å; R882-L884 VanDerWaalsContact C-N 3.33Å; R882-L884 PolarHBondContact O-N 3.36Å; L884-Q886 PolarHBondContact O-N 2.89Å; L884-S887 PolarHBondContact O-N 3.11Å; L884-S887 VanDerWaalsContact O-N 3.08Å; L884-Y888 WeakPolarHBondContact O-CB 3.35Å; L884-Y888 PolarHBondContact O-N 3.4Å
885S83.3Confident83.6Confident8 Ų841.2 Ų41.26%0.05620%0.198CC..Hα-helixtrans-59.4-45.1175.559.60000112.1L878 Y881 R882 S887 Y888 Y889L878-S885 WeakPolarHBondContact O-CB 3.39Å; Y881-S885 PolarHBondContact O-N 3.44Å; R882-S885 WeakPolarHBondContact CA-OG 3.33Å; R882-S885 PolarHBondContact O-OG 3.19Å; S885-S887 PolarHBondContact O-N 2.79Å; S885-S887 VanDerWaalsContact O-N 3.17Å; S885-Y888 PolarHBondContact O-N 3.48Å; S885-Y889 WeakPolarHBondContact O-CD2 3.44Å; S885-Y889 PolarHBondContact O-N 3.33Å; S885-Y889 VanDerWaalsContact O-N 3.09Å
886Q85.2Confident83.9Confident70 Ų7039 Ų3933%0.32719%0.188SC..Hα-helixtrans-65.7-14.7176.6-72.6-178.9-6.300114.4R882 L884 P890 D926 V929R882-Q886 HydrophobicContact CG-CG 4.42Å; R882-Q886 VanDerWaalsContact NE-NE2 3.15Å; R882-Q886 WeakPolarHBondContact O-CB 3.3Å; R882-Q886 VanDerWaalsContact O-CG 3.26Å; R882-Q886 WeakPolarHBondContact O-CG 3.42Å; R882-Q886 PolarHBondContact O-N 3.13Å; L884-Q886 PolarHBondContact O-N 2.89Å; Q886-P890 WeakPolarHBondContact O-CD 3.3Å; Q886-P890 VanDerWaalsContact O-CG 3.28Å; Q886-P890 WeakPolarHBondContact O-CG 3.46Å; Q886-D926 PolarHBondContact NE2-OD2 3.33Å; Q886-V929 HydrophobicContact CG-CG2 4.49Å
887S87.3Confident84.4Confident16 Ų1639.4 Ų39.411%0.11218%0.18CC..Hα-helixtrans-95.9-41.6174.1-52.60000111.8S831 K883 L884 S885 L891S831-S887 VanDerWaalsContact O-CB 3.29Å; S831-S887 WeakPolarHBondContact O-CB 3.49Å; S831-S887 PolarHBondContact O-OG 3.35Å; S831-S887 PolarHBondContact OG-OG 2.81Å; K883-S887 PolarHBondContact O-N 3.21Å; K883-S887 PolarHBondContact O-OG 3.13Å; L884-S887 PolarHBondContact O-N 3.11Å; L884-S887 VanDerWaalsContact O-N 3.08Å; S885-S887 PolarHBondContact O-N 2.79Å; S885-S887 VanDerWaalsContact O-N 3.17Å; S887-L891 WeakPolarHBondContact O-CB 3.34Å; S887-L891 PolarHBondContact O-N 3.47Å
888Y91Very high84.4Confident0 Ų041.9 Ų41.90%019%0.193CC..Hα-helixtrans-72.2-53-175.8168.5-104.8000113.2Y834 F866 L870 L878 L884 S885 L891 L892 S917Y834-Y888 HydrophobicContact CD2-CD2 4.39Å; Y834-Y888 HydrophobicContact CE2-CD2 4.1Å; F866-Y888 HydrophobicContact CE2-CD2 4.32Å; F866-Y888 HydrophobicContact CE2-CE2 4.31Å; F866-Y888 HydrophobicContact CZ-CE2 4.09Å; L870-Y888 HydrophobicContact CD1-CD2 3.93Å; L870-Y888 HydrophobicContact CD1-CE2 3.27Å; L870-Y888 HydrophobicContact CD2-CE2 4.27Å; L870-Y888 HydrophobicContact CG-CE2 4.39Å; L878-Y888 HydrophobicContact CD1-CD1 3.69Å; L878-Y888 HydrophobicContact CD1-CE1 3.76Å; L878-Y888 HydrophobicContact CD1-CG 4.09Å; L878-Y888 HydrophobicContact CD2-CD1 3.85Å; L878-Y888 HydrophobicContact CD2-CE1 4.23Å; L878-Y888 HydrophobicContact CG-CD1 4.17Å; L884-Y888 WeakPolarHBondContact O-CB 3.35Å; L884-Y888 PolarHBondContact O-N 3.4Å; S885-Y888 PolarHBondContact O-N 3.48Å; Y888-L891 WeakPolarHBondContact O-CB 3.35Å; Y888-L891 PolarHBondContact O-N 2.84Å; Y888-L891 VanDerWaalsContact O-N 3.1Å; Y888-L892 HydrophobicContact CE1-CD2 4.26Å; Y888-L892 PolarHBondContact O-N 3.28Å; Y888-S917 PolarHBondContact OH-OG 3.08Å
889Y89.8Confident84.6Confident0 Ų042.9 Ų42.90%020%0.198CC..Hα-helixtrans-65.6-39.5-173.5-70.8-71.8000113.3L878 L879 S885 L891 L892 E893 S917 G921 V929 C933L878-Y889 HydrophobicContact CD2-CD2 4.2Å; L878-Y889 HydrophobicContact CD2-CE1 4.43Å; L878-Y889 HydrophobicContact CD2-CE2 3.27Å; L878-Y889 VanDerWaalsContact CD2-CZ 3.44Å; L878-Y889 WeakPolarHBondContact CD2-OH 3.35Å; L879-Y889 HydrophobicContact CD2-CE2 4.41Å; L879-Y889 WeakPolarHBondContact CD2-OH 3.46Å; S885-Y889 WeakPolarHBondContact O-CD2 3.44Å; S885-Y889 PolarHBondContact O-N 3.33Å; S885-Y889 VanDerWaalsContact O-N 3.09Å; Y889-L891 VanDerWaalsContact C-N 3.31Å; Y889-L891 PolarHBondContact O-N 3.4Å; Y889-L892 WeakPolarHBondContact O-CB 3.37Å; Y889-L892 PolarHBondContact O-N 2.9Å; Y889-E893 PolarHBondContact O-N 2.91Å; Y889-S917 VanDerWaalsContact CE1-O 3.31Å; Y889-S917 WeakPolarHBondContact CE1-O 3.01Å; Y889-S917 PolarHBondContact OH-O 3.48Å; Y889-G921 WeakPolarHBondContact OH-CA 3.22Å; Y889-V929 HydrophobicContact CD2-CB 4.29Å; Y889-V929 HydrophobicContact CD2-CG1 3.34Å; Y889-V929 HydrophobicContact CD2-CG2 4.19Å; Y889-V929 HydrophobicContact CE2-CG1 3.44Å; Y889-V929 VanDerWaalsContact CE2-CG1 3.44Å; Y889-V929 HydrophobicContact CG-CG1 3.97Å; Y889-C933 WeakPolarHBondContact CD1-SG 3.4Å; Y889-C933 WeakPolarHBondContact CE1-SG 3.39Å
890P88.9Confident84.9Confident8 Ų840.6 Ų40.65%0.05219%0.186CC..Hα-helixtrans-68.6-27.1172.5-25.238.4000114K838 Q886 C894K838-P890 HydrophobicContact CD-CB 3.93Å; Q886-P890 WeakPolarHBondContact O-CD 3.3Å; Q886-P890 VanDerWaalsContact O-CG 3.28Å; Q886-P890 WeakPolarHBondContact O-CG 3.46Å; P890-C894 PolarHBondContact O-N 2.98Å
891L89.9Confident84.9Confident0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-68.2-43.6170.9169.461.9000110.6Y834 L837 K838 L841 F866 S887 Y888 Y889 E893 C894 L895Y834-L891 HydrophobicContact CD1-CD2 3.88Å; Y834-L891 HydrophobicContact CG-CD2 3.98Å; L837-L891 HydrophobicContact CB-CD1 4.12Å; L837-L891 HydrophobicContact CB-CD2 4.37Å; L837-L891 HydrophobicContact CD2-CD1 4.02Å; L837-L891 HydrophobicContact CD2-CD2 4.04Å; L837-L891 HydrophobicContact CG-CD1 3.77Å; L837-L891 HydrophobicContact CG-CD2 4.43Å; K838-L891 HydrophobicContact CB-CB 4.17Å; K838-L891 HydrophobicContact CB-CD1 4.24Å; L841-L891 HydrophobicContact CD1-CD1 3.86Å; F866-L891 HydrophobicContact CD2-CD2 3.71Å; F866-L891 HydrophobicContact CE2-CD2 3.54Å; F866-L891 HydrophobicContact CE2-CG 4.34Å; F866-L891 HydrophobicContact CZ-CD2 4.46Å; S887-L891 WeakPolarHBondContact O-CB 3.34Å; S887-L891 PolarHBondContact O-N 3.47Å; Y888-L891 WeakPolarHBondContact O-CB 3.35Å; Y888-L891 PolarHBondContact O-N 2.84Å; Y888-L891 VanDerWaalsContact O-N 3.1Å; Y889-L891 VanDerWaalsContact C-N 3.31Å; Y889-L891 PolarHBondContact O-N 3.4Å; L891-E893 VanDerWaalsContact C-N 3.26Å; L891-E893 PolarHBondContact O-N 2.96Å; L891-C894 PolarHBondContact O-N 3.47Å; L891-L895 HydrophobicContact CD1-CD1 4.27Å; L891-L895 HydrophobicContact CD1-CG 4.27Å; L891-L895 HydrophobicContact CG-CD1 4.17Å; L891-L895 WeakPolarHBondContact O-CG 3.43Å; L891-L895 PolarHBondContact O-N 3.29Å
892L89.3Confident85Confident0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-61.1-36.9175.8-176.762000111.7Y888 Y889 L895 T896 I903 V914 I918Y888-L892 HydrophobicContact CE1-CD2 4.26Å; Y888-L892 PolarHBondContact O-N 3.28Å; Y889-L892 WeakPolarHBondContact O-CB 3.37Å; Y889-L892 PolarHBondContact O-N 2.9Å; L892-L895 PolarHBondContact O-N 3.02Å; L892-T896 HydrophobicContact CD1-CG2 4.26Å; L892-T896 HydrophobicContact CG-CG2 4.47Å; L892-T896 WeakPolarHBondContact O-CB 3.4Å; L892-T896 WeakPolarHBondContact O-CG2 3.31Å; L892-T896 PolarHBondContact O-N 3.19Å; L892-T896 PolarHBondContact O-OG1 3.49Å; L892-I903 HydrophobicContact CD1-CD1 4.47Å; L892-V914 HydrophobicContact CD1-CG1 3.7Å; L892-V914 HydrophobicContact CD2-CG1 4.01Å; L892-V914 HydrophobicContact CG-CG1 4.48Å; L892-I918 HydrophobicContact CD2-CD1 3.94Å; L892-I918 HydrophobicContact CD2-CG1 3.69Å
893E88.6Confident85.1Confident47 Ų4729.1 Ų29.122%0.2215%0.147CC..Hα-helixtrans-59.8-52.2171.9-174.2-179.9176.800111.7Y889 L891 L895 T896 Q897 S932 T935 S936Y889-E893 PolarHBondContact O-N 2.91Å; L891-E893 VanDerWaalsContact C-N 3.26Å; L891-E893 PolarHBondContact O-N 2.96Å; E893-L895 VanDerWaalsContact C-N 3.29Å; E893-L895 PolarHBondContact O-N 3.45Å; E893-T896 PolarHBondContact O-N 3.49Å; E893-T896 PolarHBondContact O-OG1 2.87Å; E893-Q897 WeakPolarHBondContact O-CB 2.91Å; E893-Q897 PolarHBondContact O-N 3.29Å; E893-S932 WeakPolarHBondContact OE2-CA 2.88Å; E893-S932 WeakPolarHBondContact OE2-CB 3.33Å; E893-S932 PolarHBondContact OE2-OG 3.42Å; E893-T935 HydrophobicContact CG-CG2 3.93Å; E893-T935 WeakPolarHBondContact OE1-CG2 3.31Å; E893-S936 VanDerWaalsContact CA-OG 3.25Å; E893-S936 WeakPolarHBondContact CA-OG 3.47Å; E893-S936 PolarHBondContact N-OG 3.07Å
894C86.1Confident85Confident5 Ų522.8 Ų22.83%0.03412%0.12CC..Hα-helixtrans-58-41.2175.7-63.70000111.3L841 C842 P890 L891 Q897 D898L841-C894 HydrophobicContact CB-CB 4.4Å; C842-C894 WeakPolarHBondContact CB-SG 3.47Å; C842-C894 WeakPolarHBondContact SG-CB 3.49Å; C842-C894 CovalentContact SG-SG 2.08Å; C842-C894 PolarHBondContact SG-SG 3.31Å; P890-C894 PolarHBondContact O-N 2.98Å; L891-C894 PolarHBondContact O-N 3.47Å; C894-Q897 PolarHBondContact O-N 3.48Å; C894-D898 PolarHBondContact O-N 3.5Å
895L86.5Confident84.8Confident0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-66.5-41179.9-74.1170.9000113.1L841 L863 F866 L891 L892 E893 Q897 H899 M900 I903L841-L895 HydrophobicContact CD1-CD2 3.57Å; L841-L895 HydrophobicContact CD1-CG 4.06Å; L863-L895 HydrophobicContact CD2-CD2 3.84Å; F866-L895 HydrophobicContact CD1-CD1 4.31Å; F866-L895 HydrophobicContact CE1-CD1 3.8Å; F866-L895 HydrophobicContact CZ-CD1 3.96Å; L891-L895 HydrophobicContact CD1-CD1 4.27Å; L891-L895 HydrophobicContact CD1-CG 4.27Å; L891-L895 HydrophobicContact CG-CD1 4.17Å; L891-L895 WeakPolarHBondContact O-CG 3.43Å; L891-L895 PolarHBondContact O-N 3.29Å; L892-L895 PolarHBondContact O-N 3.02Å; E893-L895 VanDerWaalsContact C-N 3.29Å; E893-L895 PolarHBondContact O-N 3.45Å; L895-Q897 VanDerWaalsContact C-N 3.35Å; L895-H899 HydrophobicContact CD2-CB 4.31Å; L895-H899 CarbonylContact O-C 3.56Å; L895-H899 VanDerWaalsContact O-CA 3.26Å; L895-H899 WeakPolarHBondContact O-CA 3.3Å; L895-H899 PolarHBondContact O-N 3.38Å; L895-M900 PolarHBondContact O-N 3.47Å; L895-I903 HydrophobicContact CB-CD1 4.28Å
896T84.9Confident84.7Confident3 Ų327.9 Ų27.92%0.01815%0.147CC..Hα-helixtrans-73.3-28.2179.350.90000112.5L892 E893 S936 I940L892-T896 HydrophobicContact CD1-CG2 4.26Å; L892-T896 HydrophobicContact CG-CG2 4.47Å; L892-T896 WeakPolarHBondContact O-CB 3.4Å; L892-T896 WeakPolarHBondContact O-CG2 3.31Å; L892-T896 PolarHBondContact O-N 3.19Å; L892-T896 PolarHBondContact O-OG1 3.49Å; E893-T896 PolarHBondContact O-N 3.49Å; E893-T896 PolarHBondContact O-OG1 2.87Å; T896-S936 WeakPolarHBondContact OG1-CA 3.34Å; T896-I940 HydrophobicContact CG2-CD1 3.96Å; T896-I940 HydrophobicContact CG2-CG1 3.9Å
897Q84.7Confident84.6Confident88 Ų8831.1 Ų31.141%0.41116%0.162SC..Hα-helixtrans-70.8-59.4176.4-172.1-178.6-30.900112.5E893 C894 L895 Y939E893-Q897 WeakPolarHBondContact O-CB 2.91Å; E893-Q897 PolarHBondContact O-N 3.29Å; C894-Q897 PolarHBondContact O-N 3.48Å; L895-Q897 VanDerWaalsContact C-N 3.35Å; Q897-Y939 HydrophobicContact CB-CD2 3.83Å; Q897-Y939 HydrophobicContact CB-CE2 3.56Å; Q897-Y939 HydrophobicContact CB-CG 4.46Å; Q897-Y939 HydrophobicContact CG-CD2 4.36Å; Q897-Y939 HydrophobicContact CG-CE1 4.14Å; Q897-Y939 HydrophobicContact CG-CE2 3.76Å; Q897-Y939 PolarHBondContact OE1-OH 2.97Å
898D80.4Confident84.2Confident88 Ų8834.2 Ų34.247%0.47118%0.182SC..Hα-helixtrans-106-21-166.6-62.2-41.6000113.4C894C894-D898 PolarHBondContact O-N 3.5Å
899H82Confident83.8Confident25 Ų2538.1 Ų38.112%0.11621%0.207CC..  trans-122.431.7-174.2-60.9-65000113.7F848 F859 L895 S901 F902F848-H899 AromaticContact CD2-CE1 3.65Å; F848-H899 AromaticContact CD2-NE2 3.72Å; F859-H899 AromaticContact CZ-CE1 3.63Å; F859-H899 AromaticContact CZ-ND1 3.67Å; L895-H899 HydrophobicContact CD2-CB 4.31Å; L895-H899 CarbonylContact O-C 3.56Å; L895-H899 VanDerWaalsContact O-CA 3.26Å; L895-H899 WeakPolarHBondContact O-CA 3.3Å; L895-H899 PolarHBondContact O-N 3.38Å; H899-S901 PolarHBondContact O-N 2.94Å; H899-F902 WeakPolarHBondContact O-CB 3.08Å; H899-F902 PolarHBondContact O-N 3.08Å
900M80.9Confident83.5Confident12 Ų1238.4 Ų38.46%0.05921%0.208CC..Hα-helixtrans-54.5-30.2-179.3-170.360-174.800113.8L895 F902 I903 I904 I940 Y943 L968L895-M900 PolarHBondContact O-N 3.47Å; M900-F902 PolarHBondContact O-N 2.91Å; M900-I903 PolarHBondContact O-N 2.88Å; M900-I903 HydrophobicContact SD-CB 4.26Å; M900-I903 HydrophobicContact SD-CG2 4.47Å; M900-I904 HydrophobicContact CE-CD1 4.1Å; M900-I904 HydrophobicContact CE-CG1 3.99Å; M900-I904 HydrophobicContact CG-CD1 3.88Å; M900-I904 HydrophobicContact CG-CG1 4.43Å; M900-I904 WeakPolarHBondContact O-CD1 3.33Å; M900-I904 VanDerWaalsContact O-CG1 3.3Å; M900-I904 WeakPolarHBondContact O-CG1 3.41Å; M900-I904 PolarHBondContact O-N 2.64Å; M900-I904 VanDerWaalsContact O-N 3.17Å; M900-I940 HydrophobicContact CE-CB 4.19Å; M900-I940 HydrophobicContact CE-CG1 3.93Å; M900-I940 HydrophobicContact CE-CG2 4.12Å; M900-I940 HydrophobicContact SD-CG1 4.21Å; M900-Y943 HydrophobicContact CB-CD2 4.17Å; M900-Y943 HydrophobicContact CB-CE2 4.31Å; M900-Y943 HydrophobicContact CE-CD1 4.17Å; M900-Y943 HydrophobicContact CE-CG 4.28Å; M900-Y943 HydrophobicContact CG-CD1 4.13Å; M900-Y943 HydrophobicContact CG-CD2 3.62Å; M900-Y943 HydrophobicContact CG-CE1 4.46Å; M900-Y943 HydrophobicContact CG-CE2 3.95Å; M900-Y943 HydrophobicContact CG-CG 3.7Å; M900-L968 HydrophobicContact CE-CD2 3.69Å
901S77.9Confident83.3Confident62 Ų6238.4 Ų38.443%0.43421%0.208SC..Hα-helixtrans-60-27.8174.463.30000114H899 N905H899-S901 PolarHBondContact O-N 2.94Å; S901-N905 PolarHBondContact O-ND2 3.45Å
902F81.7Confident83Confident37 Ų3740.9 Ų40.916%0.16222%0.22CC..Hα-helixtrans-74.2-49.5173.8168.1-107.4000111.2L863 V867 H899 M900 I904 N905 L906L863-F902 HydrophobicContact CB-CD2 4.14Å; L863-F902 HydrophobicContact CB-CE1 4.19Å; L863-F902 HydrophobicContact CB-CE2 3.57Å; L863-F902 HydrophobicContact CB-CZ 3.59Å; L863-F902 HydrophobicContact CD1-CB 4.31Å; L863-F902 HydrophobicContact CD1-CD1 4.23Å; L863-F902 HydrophobicContact CD1-CD2 3.7Å; L863-F902 HydrophobicContact CD1-CE2 4.03Å; L863-F902 HydrophobicContact CD1-CG 3.81Å; L863-F902 HydrophobicContact CD1-CZ 4.42Å; L863-F902 HydrophobicContact CD2-CD1 4.25Å; L863-F902 HydrophobicContact CD2-CE1 4.1Å; L863-F902 HydrophobicContact CD2-CZ 4.38Å; L863-F902 HydrophobicContact CG-CD2 4.46Å; L863-F902 HydrophobicContact CG-CE2 4.33Å; L863-F902 HydrophobicContact CG-CZ 4.35Å; V867-F902 HydrophobicContact CG2-CE1 4.49Å; V867-F902 HydrophobicContact CG2-CZ 3.82Å; H899-F902 WeakPolarHBondContact O-CB 3.08Å; H899-F902 PolarHBondContact O-N 3.08Å; M900-F902 PolarHBondContact O-N 2.91Å; F902-I904 PolarHBondContact O-N 3.23Å; F902-N905 PolarHBondContact O-N 3.27Å; F902-L906 HydrophobicContact CE1-CD2 3.97Å; F902-L906 HydrophobicContact CE2-CD2 3.97Å; F902-L906 HydrophobicContact CZ-CD2 3.57Å; F902-L906 PolarHBondContact O-N 3.26Å
903I81.6Confident82.8Confident2 Ų242 Ų421%0.0122%0.224CC..Hα-helixtrans-56-38.3-179.1-61.5-62.7000111.7L892 L895 M900 N905 L906 L911L892-I903 HydrophobicContact CD1-CD1 4.47Å; L895-I903 HydrophobicContact CB-CD1 4.28Å; M900-I903 PolarHBondContact O-N 2.88Å; M900-I903 HydrophobicContact SD-CB 4.26Å; M900-I903 HydrophobicContact SD-CG2 4.47Å; I903-N905 VanDerWaalsContact C-N 3.32Å; I903-N905 PolarHBondContact O-N 3.07Å; I903-L906 HydrophobicContact CD1-CD1 4.05Å; I903-L906 HydrophobicContact CG2-CD1 4.43Å; I903-L906 WeakPolarHBondContact O-CB 3.45Å; I903-L906 WeakPolarHBondContact O-CG 3.43Å; I903-L906 PolarHBondContact O-N 3.13Å; I903-L911 HydrophobicContact CG2-CD1 4.01Å
904I78.9Confident82.7Confident7 Ų739.8 Ų39.84%0.03622%0.215CC..Hα-helixtrans-70.3-29179.7-68.1164.6000113M900 F902 L906 Y943 A964 L968M900-I904 HydrophobicContact CE-CD1 4.1Å; M900-I904 HydrophobicContact CE-CG1 3.99Å; M900-I904 HydrophobicContact CG-CD1 3.88Å; M900-I904 HydrophobicContact CG-CG1 4.43Å; M900-I904 WeakPolarHBondContact O-CD1 3.33Å; M900-I904 VanDerWaalsContact O-CG1 3.3Å; M900-I904 WeakPolarHBondContact O-CG1 3.41Å; M900-I904 PolarHBondContact O-N 2.64Å; M900-I904 VanDerWaalsContact O-N 3.17Å; F902-I904 PolarHBondContact O-N 3.23Å; I904-L906 VanDerWaalsContact C-N 3.3Å; I904-Y943 HydrophobicContact CD1-CD1 3.78Å; I904-Y943 HydrophobicContact CD1-CE1 3.08Å; I904-Y943 HydrophobicContact CD1-CE2 4.27Å; I904-Y943 WeakPolarHBondContact CD1-OH 2.96Å; I904-Y943 HydrophobicContact CG1-CE1 4.42Å; I904-A964 HydrophobicContact CG2-CB 3.91Å; I904-A964 WeakPolarHBondContact CG2-O 3.47Å; I904-L968 HydrophobicContact CD1-CD2 4.41Å; I904-L968 HydrophobicContact CG1-CB 4.22Å; I904-L968 HydrophobicContact CG1-CD2 4Å; I904-L968 HydrophobicContact CG2-CB 4.21Å
905N80.9Confident82.7Confident93 Ų9339.8 Ų39.850%0.49721%0.214SC..THydrogen-bonded Turntrans-892.6-179.9-74.8-40.9000112.8S901 F902 I903 R967S901-N905 PolarHBondContact O-ND2 3.45Å; F902-N905 PolarHBondContact O-N 3.27Å; I903-N905 VanDerWaalsContact C-N 3.32Å; I903-N905 PolarHBondContact O-N 3.07Å; N905-R967 PolarHBondContact OD1-NH1 3.18Å
906L82.4Confident82.6Confident23 Ų2342 Ų4212%0.1223%0.228CC..SBendtrans-65.8152.1172.5-66.4175.6000111.3V867 F902 I903 I904 V910V867-L906 HydrophobicContact CG2-CD2 3.65Å; F902-L906 HydrophobicContact CE1-CD2 3.97Å; F902-L906 HydrophobicContact CE2-CD2 3.97Å; F902-L906 HydrophobicContact CZ-CD2 3.57Å; F902-L906 PolarHBondContact O-N 3.26Å; I903-L906 HydrophobicContact CD1-CD1 4.05Å; I903-L906 HydrophobicContact CG2-CD1 4.43Å; I903-L906 WeakPolarHBondContact O-CB 3.45Å; I903-L906 WeakPolarHBondContact O-CG 3.43Å; I903-L906 PolarHBondContact O-N 3.13Å; I904-L906 VanDerWaalsContact C-N 3.3Å; L906-V910 HydrophobicContact CB-CB 4.37Å; L906-V910 HydrophobicContact CB-CG1 4.49Å; L906-V910 HydrophobicContact CD1-CG1 4.09Å; L906-V910 HydrophobicContact CD2-CG1 4.3Å
907E82.6Confident82.7Confident137 Ų13741.9 Ų41.964%0.6423%0.227SC*.  trans-64.2146.3173.5-61.8-177.7172.400110.9P909 V910 L911E907-P909 VanDerWaalsContact C-CD 3.42Å; E907-P909 HydrophobicContact CB-CG 4.27Å; E907-V910 HydrophobicContact CB-CG2 4.31Å; E907-V910 PolarHBondContact O-N 2.89Å; E907-L911 PolarHBondContact O-N 3.48Å
908P79.9Confident82.8Confident82 Ų8237.7 Ų37.753%0.53221%0.208SC..Hα-helixtrans-45.7-44.3179.5-28.835.1000116.3V910 L911 M912 F971P908-V910 PolarHBondContact O-N 2.88Å; P908-L911 PolarHBondContact O-N 3.36Å; P908-M912 WeakPolarHBondContact O-CG 3.33Å; P908-M912 PolarHBondContact O-N 3.08Å; P908-F971 HydrophobicContact CB-CD2 4.2Å; P908-F971 HydrophobicContact CB-CE2 3.84Å
909P80.9Confident82.9Confident82 Ų8233.8 Ų33.853%0.53219%0.187SC..Hα-helixtrans-66.5-34.2178.525.2-35.5000113.5E907 Y913E907-P909 VanDerWaalsContact C-CD 3.42Å; E907-P909 HydrophobicContact CB-CG 4.27Å; P909-Y913 PolarHBondContact O-N 2.83Å
910V84.4Confident82.8Confident5 Ų535.6 Ų35.63%0.0320%0.195CC..Hα-helixtrans-71.8-41178-173.60000110.2V867 L871 L906 E907 P908 M912 Y913 V914V867-V910 HydrophobicContact CG1-CG1 3.77Å; V867-V910 HydrophobicContact CG1-CG2 3.95Å; V867-V910 HydrophobicContact CG2-CG1 4.39Å; L871-V910 HydrophobicContact CD1-CG2 4.11Å; L871-V910 HydrophobicContact CD2-CG2 4.25Å; L906-V910 HydrophobicContact CB-CB 4.37Å; L906-V910 HydrophobicContact CB-CG1 4.49Å; L906-V910 HydrophobicContact CD1-CG1 4.09Å; L906-V910 HydrophobicContact CD2-CG1 4.3Å; E907-V910 HydrophobicContact CB-CG2 4.31Å; E907-V910 PolarHBondContact O-N 2.89Å; P908-V910 PolarHBondContact O-N 2.88Å; V910-M912 VanDerWaalsContact C-N 3.34Å; V910-Y913 WeakPolarHBondContact O-CB 3.2Å; V910-Y913 PolarHBondContact O-N 3.16Å; V910-V914 WeakPolarHBondContact O-CG2 3.4Å; V910-V914 PolarHBondContact O-N 2.88Å
911L83.8Confident82.8Confident9 Ų935 Ų355%0.04719%0.193CC..Hα-helixtrans-64.1-40.7176.5-174.161.6000111.5I903 E907 P908 V914 L915 L968 F971I903-L911 HydrophobicContact CG2-CD1 4.01Å; E907-L911 PolarHBondContact O-N 3.48Å; P908-L911 PolarHBondContact O-N 3.36Å; L911-V914 PolarHBondContact O-N 3.39Å; L911-L915 HydrophobicContact CG-CD1 4.47Å; L911-L915 WeakPolarHBondContact O-CG 3.3Å; L911-L915 PolarHBondContact O-N 2.97Å; L911-L968 HydrophobicContact CD1-CD1 4.37Å; L911-L968 HydrophobicContact CD2-CD1 3.78Å; L911-F971 HydrophobicContact CB-CE1 4.33Å; L911-F971 HydrophobicContact CB-CZ 4Å; L911-F971 HydrophobicContact CD2-CD1 3.46Å; L911-F971 VanDerWaalsContact CD2-CD1 3.46Å; L911-F971 HydrophobicContact CD2-CD2 4.23Å; L911-F971 HydrophobicContact CD2-CE1 3.46Å; L911-F971 VanDerWaalsContact CD2-CE1 3.46Å; L911-F971 HydrophobicContact CD2-CE2 4.22Å; L911-F971 HydrophobicContact CD2-CG 3.84Å; L911-F971 HydrophobicContact CD2-CZ 3.81Å; L911-F971 HydrophobicContact CG-CD1 4.2Å; L911-F971 HydrophobicContact CG-CE1 3.68Å; L911-F971 HydrophobicContact CG-CZ 3.88Å
912M83.5Confident82.9Confident51 Ų5132.3 Ų32.325%0.25117%0.173SC..Hα-helixtrans-59.8-45.9170.8-77.8-52.1-64.900111.7P908 V910 V914 L915 T916 F971 N975 V978P908-M912 WeakPolarHBondContact O-CG 3.33Å; P908-M912 PolarHBondContact O-N 3.08Å; V910-M912 VanDerWaalsContact C-N 3.34Å; M912-V914 VanDerWaalsContact C-N 3.32Å; M912-V914 PolarHBondContact O-N 3.27Å; M912-L915 PolarHBondContact O-N 3.2Å; M912-T916 WeakPolarHBondContact O-CB 3.4Å; M912-T916 PolarHBondContact O-N 3.42Å; M912-T916 PolarHBondContact O-OG1 2.93Å; M912-T916 VanDerWaalsContact O-OG1 3.09Å; M912-F971 HydrophobicContact CB-CZ 4.5Å; M912-F971 HydrophobicContact CG-CE2 4.09Å; M912-F971 HydrophobicContact CG-CZ 3.56Å; M912-F971 HydrophobicContact SD-CE1 3.96Å; M912-F971 HydrophobicContact SD-CE2 4.22Å; M912-F971 HydrophobicContact SD-CZ 3.37Å; M912-F971 WeakPolarHBondContact SD-CZ 3.36Å; M912-N975 HydrophobicContact SD-CB 4.41Å; M912-V978 HydrophobicContact CE-CG2 3.66Å; M912-V978 HydrophobicContact SD-CG2 4.28Å
913Y86.5Confident82.5Confident23 Ų2334.1 Ų34.19%0.0919%0.188CC..Hα-helixtrans-55.1-48177.3-176.6-75.4000111.5L870 V873 H875 P909 V910 T916 S917L870-Y913 HydrophobicContact CD1-CD1 4.07Å; L870-Y913 HydrophobicContact CD1-CE1 3.43Å; L870-Y913 VanDerWaalsContact CD1-CE1 3.43Å; L870-Y913 HydrophobicContact CD2-CD1 3.9Å; L870-Y913 HydrophobicContact CD2-CE1 4.15Å; L870-Y913 HydrophobicContact CG-CD1 3.79Å; L870-Y913 HydrophobicContact CG-CE1 3.6Å; V873-Y913 PolarHBondContact O-OH 3.23Å; H875-Y913 AromaticContact CE1-CD2 3.17Å; H875-Y913 WeakPolarHBondContact CE1-CD2 3.34Å; H875-Y913 AromaticContact CE1-CE2 3.19Å; H875-Y913 WeakPolarHBondContact CE1-CE2 3.41Å; H875-Y913 AromaticContact CE1-CG 3.84Å; H875-Y913 AromaticContact CE1-CZ 3.86Å; H875-Y913 AromaticContact ND1-CE2 3.59Å; H875-Y913 AromaticContact NE2-CD2 3.64Å; H875-Y913 AromaticContact NE2-CE2 3.66Å; H875-Y913 AromaticContact NE2-CG 3.86Å; H875-Y913 AromaticContact NE2-CZ 3.89Å; H875-Y913 PolarHBondContact NE2-O 3.32Å; P909-Y913 PolarHBondContact O-N 2.83Å; V910-Y913 WeakPolarHBondContact O-CB 3.2Å; V910-Y913 PolarHBondContact O-N 3.16Å; Y913-T916 PolarHBondContact O-N 3.05Å; Y913-S917 WeakPolarHBondContact O-CB 3.41Å; Y913-S917 PolarHBondContact O-N 3.14Å
914V87Confident82.1Confident2 Ų235.8 Ų35.81%0.01220%0.198CC..Hα-helixtrans-61.2-48.5179.6171.50000110.9L870 L892 V910 L911 M912 S917 I918L870-V914 HydrophobicContact CD2-CG2 3.97Å; L892-V914 HydrophobicContact CD1-CG1 3.7Å; L892-V914 HydrophobicContact CD2-CG1 4.01Å; L892-V914 HydrophobicContact CG-CG1 4.48Å; V910-V914 WeakPolarHBondContact O-CG2 3.4Å; V910-V914 PolarHBondContact O-N 2.88Å; L911-V914 PolarHBondContact O-N 3.39Å; M912-V914 VanDerWaalsContact C-N 3.32Å; M912-V914 PolarHBondContact O-N 3.27Å; V914-S917 PolarHBondContact O-N 3.34Å; V914-S917 PolarHBondContact O-OG 3.39Å; V914-I918 HydrophobicContact CG1-CD1 4.17Å; V914-I918 WeakPolarHBondContact O-CG1 3.3Å; V914-I918 PolarHBondContact O-N 3.24Å
915L85.3Confident81.4Confident4 Ų441.6 Ų41.62%0.02123%0.228CC..Hα-helixtrans-64.8-43.2-180-67.5173.2000112.1L911 M912 S917 I918 S919 I940 F971 V978 M982L911-L915 HydrophobicContact CG-CD1 4.47Å; L911-L915 WeakPolarHBondContact O-CG 3.3Å; L911-L915 PolarHBondContact O-N 2.97Å; M912-L915 PolarHBondContact O-N 3.2Å; L915-S917 VanDerWaalsContact C-N 3.3Å; L915-S917 PolarHBondContact O-N 2.95Å; L915-I918 PolarHBondContact O-N 3.28Å; L915-S919 PolarHBondContact O-N 3.46Å; L915-I940 HydrophobicContact CD2-CD1 4.44Å; L915-F971 HydrophobicContact CD1-CE1 3.85Å; L915-V978 HydrophobicContact CB-CG1 3.83Å; L915-V978 HydrophobicContact CD1-CG1 4.22Å; L915-M982 HydrophobicContact CB-CE 3.87Å; L915-M982 HydrophobicContact CD2-CE 4.06Å; L915-M982 WeakPolarHBondContact O-CE 3.36Å
916T84.8Confident80.9Confident47 Ų4738.5 Ų38.529%0.28821%0.211SC..Hα-helixtrans-60.6-41.8174-58.80000110.9M912 Y913 I918 S919 E920M912-T916 WeakPolarHBondContact O-CB 3.4Å; M912-T916 PolarHBondContact O-N 3.42Å; M912-T916 PolarHBondContact O-OG1 2.93Å; M912-T916 VanDerWaalsContact O-OG1 3.09Å; Y913-T916 PolarHBondContact O-N 3.05Å; T916-I918 VanDerWaalsContact C-N 3.32Å; T916-I918 PolarHBondContact O-N 3.49Å; T916-S919 WeakPolarHBondContact O-CB 3.2Å; T916-S919 PolarHBondContact O-N 3.02Å; T916-S919 VanDerWaalsContact O-N 3.16Å; T916-E920 HydrophobicContact CG2-CG 4.46Å; T916-E920 WeakPolarHBondContact O-CG 3.49Å; T916-E920 PolarHBondContact O-N 3.39Å
917S85.9Confident80.6Confident1 Ų140.1 Ų40.11%0.00722%0.222CC..Hα-helixtrans-62.7-35.6176.978.60000113.1Y888 Y889 Y913 V914 L915 G921Y888-S917 PolarHBondContact OH-OG 3.08Å; Y889-S917 VanDerWaalsContact CE1-O 3.31Å; Y889-S917 WeakPolarHBondContact CE1-O 3.01Å; Y889-S917 PolarHBondContact OH-O 3.48Å; Y913-S917 WeakPolarHBondContact O-CB 3.41Å; Y913-S917 PolarHBondContact O-N 3.14Å; V914-S917 PolarHBondContact O-N 3.34Å; V914-S917 PolarHBondContact O-OG 3.39Å; L915-S917 VanDerWaalsContact C-N 3.3Å; L915-S917 PolarHBondContact O-N 2.95Å; S917-G921 PolarHBondContact O-N 3.46Å
918I86.8Confident80.3Confident0 Ų037 Ų370%021%0.213CC..Hα-helixtrans-67.5-47.2173.3-67.2168.5000109.6L892 V914 L915 T916 E920 G921 L922 C933 L937 I940 M982L892-I918 HydrophobicContact CD2-CD1 3.94Å; L892-I918 HydrophobicContact CD2-CG1 3.69Å; V914-I918 HydrophobicContact CG1-CD1 4.17Å; V914-I918 WeakPolarHBondContact O-CG1 3.3Å; V914-I918 PolarHBondContact O-N 3.24Å; L915-I918 PolarHBondContact O-N 3.28Å; T916-I918 VanDerWaalsContact C-N 3.32Å; T916-I918 PolarHBondContact O-N 3.49Å; I918-E920 PolarHBondContact O-N 3.1Å; I918-G921 PolarHBondContact O-N 2.9Å; I918-L922 HydrophobicContact CG2-CD1 4.39Å; I918-L922 HydrophobicContact CG2-CG 4.45Å; I918-L922 VanDerWaalsContact O-CG 3.29Å; I918-L922 WeakPolarHBondContact O-CG 3.23Å; I918-L922 PolarHBondContact O-N 3.17Å; I918-C933 HydrophobicContact CG2-CB 4.31Å; I918-L937 HydrophobicContact CG2-CB 4.28Å; I918-I940 HydrophobicContact CD1-CD1 3.82Å; I918-M982 HydrophobicContact CB-CE 4.17Å; I918-M982 HydrophobicContact CG2-CE 4.23Å
919S82.9Confident80.5Confident5 Ų533.2 Ų33.24%0.03519%0.188CC..Hα-helixtrans-56.9-47.2-179.6-171.20000111.9L915 T916 L922L915-S919 PolarHBondContact O-N 3.46Å; T916-S919 WeakPolarHBondContact O-CB 3.2Å; T916-S919 PolarHBondContact O-N 3.02Å; T916-S919 VanDerWaalsContact O-N 3.16Å; S919-L922 PolarHBondContact O-N 3.23Å
920E80.8Confident80.5Confident64 Ų6430 Ų3030%0.29917%0.167SC..Hα-helixtrans-70-39.3176.4-63.2175.4177.200112H875 L879 T916 I918 L922 T923H875-E920 WeakPolarHBondContact CB-OE2 3.29Å; H875-E920 IonicContact CD2-OE2 2.8Å; H875-E920 IonicContact CG-OE2 3.01Å; L879-E920 HydrophobicContact CD1-CB 3.87Å; T916-E920 HydrophobicContact CG2-CG 4.46Å; T916-E920 WeakPolarHBondContact O-CG 3.49Å; T916-E920 PolarHBondContact O-N 3.39Å; I918-E920 PolarHBondContact O-N 3.1Å; E920-L922 VanDerWaalsContact C-N 3.25Å; E920-L922 PolarHBondContact O-N 3.48Å; E920-T923 PolarHBondContact O-N 3.05Å; E920-T923 PolarHBondContact O-OG1 3.05Å
921G80.1Confident80.5Confident0 Ų031.2 Ų31.20%018%0.176CC..Hα-helixtrans-59.8-32176.500000113.7Y889 S917 I918 T923 T924Y889-G921 WeakPolarHBondContact OH-CA 3.22Å; S917-G921 PolarHBondContact O-N 3.46Å; I918-G921 PolarHBondContact O-N 2.9Å; G921-T923 PolarHBondContact O-N 2.71Å; G921-T924 WeakPolarHBondContact O-CB 3.25Å; G921-T924 PolarHBondContact O-N 3.46Å; G921-T924 PolarHBondContact O-OG1 3.12Å
922L79.3Confident80.6Confident4 Ų431.2 Ų31.22%0.02118%0.177CC..Hα-helixtrans-64-26.5174.9-71.4172.4000113.2I918 S919 E920 T924 C933 C934 L937 V985 L986I918-L922 HydrophobicContact CG2-CD1 4.39Å; I918-L922 HydrophobicContact CG2-CG 4.45Å; I918-L922 VanDerWaalsContact O-CG 3.29Å; I918-L922 WeakPolarHBondContact O-CG 3.23Å; I918-L922 PolarHBondContact O-N 3.17Å; S919-L922 PolarHBondContact O-N 3.23Å; E920-L922 VanDerWaalsContact C-N 3.25Å; E920-L922 PolarHBondContact O-N 3.48Å; L922-T924 VanDerWaalsContact C-N 3.32Å; L922-C933 HydrophobicContact CD2-CB 3.74Å; L922-C933 HydrophobicContact CG-CB 4.13Å; L922-C934 HydrophobicContact CD2-CB 4.43Å; L922-C934 WeakPolarHBondContact CD2-SG 3.06Å; L922-L937 HydrophobicContact CD1-CD2 3.98Å; L922-V985 HydrophobicContact CB-CG1 4.01Å; L922-L986 HydrophobicContact CB-CD2 4.48Å; L922-L986 HydrophobicContact CD1-CD2 3.84Å; L922-L986 HydrophobicContact CD1-CG 4.18Å; L922-L986 HydrophobicContact CD2-CD2 3.77Å; L922-L986 HydrophobicContact CG-CD2 4.24Å
923T73.3Confident80.8Confident76 Ų7628.8 Ų28.847%0.46617%0.165SC..THydrogen-bonded Turntrans-84.1-4.9179.1680000113.7E920 G921 V985E920-T923 PolarHBondContact O-N 3.05Å; E920-T923 PolarHBondContact O-OG1 3.05Å; G921-T923 PolarHBondContact O-N 2.71Å; T923-V985 HydrophobicContact CG2-CG1 3.69Å; T923-V985 HydrophobicContact CG2-CG2 4.45Å
924T73.3Confident80.7Confident36 Ų3627.8 Ų27.822%0.22116%0.161CC..  trans-76.5147.8-176.663.50000113.2L879 G921 L922 V929L879-T924 HydrophobicContact CD2-CG2 3.55Å; G921-T924 WeakPolarHBondContact O-CB 3.25Å; G921-T924 PolarHBondContact O-N 3.46Å; G921-T924 PolarHBondContact O-OG1 3.12Å; L922-T924 VanDerWaalsContact C-N 3.32Å; T924-V929 HydrophobicContact CG2-CG1 4.43Å; T924-V929 WeakPolarHBondContact OG1-CG1 3.08Å
925L65.3Low80.7Confident130 Ų13029.1 Ų29.168%0.68117%0.17SC*.SBendtrans-76.9-19.3176.9-64173.2000113.6T927L925-T927 PolarHBondContact O-N 3.44Å
926D70.5Confident80.8Confident27 Ų2729 Ų2914%0.14417%0.169CC..  trans-71.7113.9179-168-30.4000109.5R882 Q886 V928 V929 S930R882-D926 IonicContact CZ-OD2 3.68Å; R882-D926 IonicContact NE-OD2 3.88Å; R882-D926 PolarHBondContact NE-OD2 3.04Å; R882-D926 IonicContact NH2-OD2 3.74Å; R882-D926 PolarHBondContact NH2-OD2 3.45Å; Q886-D926 PolarHBondContact NE2-OD2 3.33Å; D926-V928 PolarHBondContact O-N 3.21Å; D926-V928 PolarHBondContact OD1-N 3.3Å; D926-V929 HydrophobicContact CB-CB 4.23Å; D926-V929 HydrophobicContact CB-CG2 4.14Å; D926-V929 PolarHBondContact O-N 3.12Å; D926-S930 PolarHBondContact O-N 2.96Å
927T75.2Confident80.8Confident57 Ų5726.8 Ų26.835%0.3516%0.155SC..Hα-helixtrans-62.5-29.7-175.553.30000112.7L925 S931 R996 N997L925-T927 PolarHBondContact O-N 3.44Å; T927-S931 WeakPolarHBondContact O-CB 3.41Å; T927-S931 PolarHBondContact O-N 2.97Å; T927-R996 HydrophobicContact CG2-CB 4.18Å; T927-N997 WeakPolarHBondContact CA-ND2 3.28Å; T927-N997 PolarHBondContact O-ND2 3.47Å
928V77.1Confident80.8Confident73 Ų7327 Ų2744%0.44216%0.156SC..Hα-helixtrans-69.1-45.7177.8179.80000109.9D926 S931 S932D926-V928 PolarHBondContact O-N 3.21Å; D926-V928 PolarHBondContact OD1-N 3.3Å; V928-S931 PolarHBondContact O-N 3.23Å; V928-S932 PolarHBondContact O-N 2.89Å; V928-S932 PolarHBondContact O-OG 3.05Å
929V82.6Confident80.8Confident2 Ų230.5 Ų30.51%0.01217%0.17CC..Hα-helixtrans-66.2-50.7-179.7172.30000111Q886 Y889 T924 D926 S931 S932 C933Q886-V929 HydrophobicContact CG-CG2 4.49Å; Y889-V929 HydrophobicContact CD2-CB 4.29Å; Y889-V929 HydrophobicContact CD2-CG1 3.34Å; Y889-V929 HydrophobicContact CD2-CG2 4.19Å; Y889-V929 HydrophobicContact CE2-CG1 3.44Å; Y889-V929 VanDerWaalsContact CE2-CG1 3.44Å; Y889-V929 HydrophobicContact CG-CG1 3.97Å; T924-V929 HydrophobicContact CG2-CG1 4.43Å; T924-V929 WeakPolarHBondContact OG1-CG1 3.08Å; D926-V929 HydrophobicContact CB-CB 4.23Å; D926-V929 HydrophobicContact CB-CG2 4.14Å; D926-V929 PolarHBondContact O-N 3.12Å; V929-S931 VanDerWaalsContact C-N 3.31Å; V929-S931 PolarHBondContact O-N 3.45Å; V929-S932 PolarHBondContact O-N 3.07Å; V929-C933 PolarHBondContact O-N 3.34Å; V929-C933 PolarHBondContact O-SG 3Å
930S82.5Confident80.9Confident13 Ų1330.4 Ų30.49%0.09117%0.169CC..Hα-helixtrans-57.7-43.9177.9174.60000111.2D926 C933 C934D926-S930 PolarHBondContact O-N 2.96Å; S930-C933 PolarHBondContact O-N 3.49Å; S930-C934 PolarHBondContact O-N 3.03Å; S930-C934 PolarHBondContact O-SG 3.48Å
931S84.6Confident81Confident32 Ų3227.4 Ų27.422%0.22416%0.155CC..Hα-helixtrans-64.3-46.5177.8-168.40000112.6T927 V928 V929 C933 C934 T935 S1000T927-S931 WeakPolarHBondContact O-CB 3.41Å; T927-S931 PolarHBondContact O-N 2.97Å; V928-S931 PolarHBondContact O-N 3.23Å; V929-S931 VanDerWaalsContact C-N 3.31Å; V929-S931 PolarHBondContact O-N 3.45Å; S931-C933 VanDerWaalsContact C-N 3.31Å; S931-C933 PolarHBondContact O-N 3.2Å; S931-C934 PolarHBondContact O-N 3.33Å; S931-T935 PolarHBondContact O-N 2.79Å; S931-T935 PolarHBondContact O-OG1 3.32Å; S931-T935 VanDerWaalsContact O-OG1 3.07Å; S931-S1000 WeakPolarHBondContact OG-CB 3.2Å; S931-S1000 PolarHBondContact OG-OG 2.66Å
932S85.2Confident81.1Confident9 Ų928.1 Ų28.16%0.06316%0.159CC..Hα-helixtrans-63-36.1177.6-73.60000112.4E893 V928 V929 S936E893-S932 WeakPolarHBondContact OE2-CA 2.88Å; E893-S932 WeakPolarHBondContact OE2-CB 3.33Å; E893-S932 PolarHBondContact OE2-OG 3.42Å; V928-S932 PolarHBondContact O-N 2.89Å; V928-S932 PolarHBondContact O-OG 3.05Å; V929-S932 PolarHBondContact O-N 3.07Å; S932-S936 WeakPolarHBondContact O-CB 3.28Å; S932-S936 PolarHBondContact O-N 3Å; S932-S936 PolarHBondContact O-OG 3.2Å
933C86.7Confident81.2Confident0 Ų030.5 Ų30.50%017%0.169CC..Hα-helixtrans-63.9-46.4173.1-66.40000111.9Y889 I918 L922 V929 S930 S931 T935 S936 L937Y889-C933 WeakPolarHBondContact CD1-SG 3.4Å; Y889-C933 WeakPolarHBondContact CE1-SG 3.39Å; I918-C933 HydrophobicContact CG2-CB 4.31Å; L922-C933 HydrophobicContact CD2-CB 3.74Å; L922-C933 HydrophobicContact CG-CB 4.13Å; V929-C933 PolarHBondContact O-N 3.34Å; V929-C933 PolarHBondContact O-SG 3Å; S930-C933 PolarHBondContact O-N 3.49Å; S931-C933 VanDerWaalsContact C-N 3.31Å; S931-C933 PolarHBondContact O-N 3.2Å; C933-T935 PolarHBondContact O-N 2.92Å; C933-S936 PolarHBondContact O-N 3.16Å; C933-L937 WeakPolarHBondContact O-CB 3.32Å; C933-L937 PolarHBondContact O-N 3.34Å
934C85.1Confident81.3Confident1 Ų127.2 Ų27.21%0.00715%0.148CC..Hα-helixtrans-60.6-44.2177-70.30000112.2L922 S930 S931 L937 D938 S1000 P1004L922-C934 HydrophobicContact CD2-CB 4.43Å; L922-C934 WeakPolarHBondContact CD2-SG 3.06Å; S930-C934 PolarHBondContact O-N 3.03Å; S930-C934 PolarHBondContact O-SG 3.48Å; S931-C934 PolarHBondContact O-N 3.33Å; C934-L937 PolarHBondContact O-N 3.02Å; C934-D938 PolarHBondContact O-N 2.91Å; C934-S1000 VanDerWaalsContact CB-O 3.3Å; C934-S1000 WeakPolarHBondContact CB-O 3.42Å; C934-P1004 HydrophobicContact CB-CG 3.99Å; C934-P1004 WeakPolarHBondContact O-CG 3.21Å
935T86.4Confident81.5Confident31 Ų3127.6 Ų27.619%0.1915%0.147CC..Hα-helixtrans-64.9-45177.5-54.90000111.3E893 S931 C933 L937 D938 Y939E893-T935 HydrophobicContact CG-CG2 3.93Å; E893-T935 WeakPolarHBondContact OE1-CG2 3.31Å; S931-T935 PolarHBondContact O-N 2.79Å; S931-T935 PolarHBondContact O-OG1 3.32Å; S931-T935 VanDerWaalsContact O-OG1 3.07Å; C933-T935 PolarHBondContact O-N 2.92Å; T935-L937 VanDerWaalsContact C-N 3.3Å; T935-L937 PolarHBondContact O-N 3.46Å; T935-D938 PolarHBondContact O-N 2.96Å; T935-D938 VanDerWaalsContact O-N 3.15Å; T935-Y939 HydrophobicContact CG2-CD2 3.94Å; T935-Y939 HydrophobicContact CG2-CE2 3.34Å; T935-Y939 WeakPolarHBondContact O-CD2 3.49Å; T935-Y939 PolarHBondContact O-N 3.36Å
936S87.1Confident82.1Confident0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-58.2-44.1176.7-58.40000111.5E893 T896 S932 C933 Y939 I940E893-S936 VanDerWaalsContact CA-OG 3.25Å; E893-S936 WeakPolarHBondContact CA-OG 3.47Å; E893-S936 PolarHBondContact N-OG 3.07Å; T896-S936 WeakPolarHBondContact OG1-CA 3.34Å; S932-S936 WeakPolarHBondContact O-CB 3.28Å; S932-S936 PolarHBondContact O-N 3Å; S932-S936 PolarHBondContact O-OG 3.2Å; C933-S936 PolarHBondContact O-N 3.16Å; S936-Y939 PolarHBondContact O-N 3.01Å; S936-I940 VanDerWaalsContact O-CG1 3.31Å; S936-I940 WeakPolarHBondContact O-CG1 3.47Å; S936-I940 PolarHBondContact O-N 2.79Å; S936-I940 VanDerWaalsContact O-N 3.09Å
937L86.8Confident82Confident1 Ų128 Ų281%0.00514%0.142CC..Hα-helixtrans-64.6-41.4176.4-177.458.5000111.9I918 L922 C933 C934 T935 Y939 I940 V941 M982 L986 P1004 L1008I918-L937 HydrophobicContact CG2-CB 4.28Å; L922-L937 HydrophobicContact CD1-CD2 3.98Å; C933-L937 WeakPolarHBondContact O-CB 3.32Å; C933-L937 PolarHBondContact O-N 3.34Å; C934-L937 PolarHBondContact O-N 3.02Å; T935-L937 VanDerWaalsContact C-N 3.3Å; T935-L937 PolarHBondContact O-N 3.46Å; L937-Y939 VanDerWaalsContact C-N 3.32Å; L937-Y939 PolarHBondContact O-N 3.33Å; L937-I940 PolarHBondContact O-N 3.06Å; L937-V941 HydrophobicContact CD1-CG2 3.95Å; L937-V941 HydrophobicContact CG-CG2 4.29Å; L937-V941 VanDerWaalsContact O-CB 3.29Å; L937-V941 WeakPolarHBondContact O-CB 3.36Å; L937-V941 WeakPolarHBondContact O-CG2 3.43Å; L937-V941 PolarHBondContact O-N 3.18Å; L937-M982 HydrophobicContact CD1-SD 3.68Å; L937-M982 HydrophobicContact CD2-CB 4.42Å; L937-M982 HydrophobicContact CD2-SD 4.29Å; L937-L986 HydrophobicContact CD2-CD1 4.12Å; L937-P1004 HydrophobicContact CB-CB 4.01Å; L937-P1004 HydrophobicContact CD2-CB 3.89Å; L937-P1004 HydrophobicContact CG-CB 3.78Å; L937-L1008 HydrophobicContact CD2-CD1 4.08Å
938D86.1Confident81.6Confident6 Ų628.8 Ų28.83%0.03214%0.144CC..Hα-helixtrans-60.7-41.8176.3-175.249.4000111.1C934 T935 V941 T942 R1003 P1004 R1055C934-D938 PolarHBondContact O-N 2.91Å; T935-D938 PolarHBondContact O-N 2.96Å; T935-D938 VanDerWaalsContact O-N 3.15Å; D938-V941 PolarHBondContact O-N 2.76Å; D938-T942 WeakPolarHBondContact O-CB 3.46Å; D938-T942 PolarHBondContact O-N 3.48Å; D938-T942 PolarHBondContact O-OG1 3.03Å; D938-R1003 HydrophobicContact CB-CB 4.37Å; D938-P1004 HydrophobicContact CB-CB 4.16Å; D938-R1055 IonicContact OD1-CZ 3.18Å; D938-R1055 VanDerWaalsContact OD1-CZ 3.25Å; D938-R1055 IonicContact OD1-NE 2.63Å; D938-R1055 IonicContact OD1-NH1 2.69Å; D938-R1055 IonicContact OD1-NH2 2.85Å; D938-R1055 PolarHBondContact OD1-NH2 3.12Å; D938-R1055 IonicContact OD2-CZ 3.07Å; D938-R1055 IonicContact OD2-NH1 3.63Å; D938-R1055 PolarHBondContact OD2-NH1 3.46Å; D938-R1055 IonicContact OD2-NH2 2.76Å; D938-R1055 PolarHBondContact OD2-NH2 3.09Å
939Y86.1Confident80.9Confident73 Ų7328.2 Ų28.229%0.28615%0.146SC..Hα-helixtrans-64-45.3176.4-69.1-46.5000112.6Q897 T935 S936 L937 V941 T942 Y943Q897-Y939 HydrophobicContact CB-CD2 3.83Å; Q897-Y939 HydrophobicContact CB-CE2 3.56Å; Q897-Y939 HydrophobicContact CB-CG 4.46Å; Q897-Y939 HydrophobicContact CG-CD2 4.36Å; Q897-Y939 HydrophobicContact CG-CE1 4.14Å; Q897-Y939 HydrophobicContact CG-CE2 3.76Å; Q897-Y939 PolarHBondContact OE1-OH 2.97Å; T935-Y939 HydrophobicContact CG2-CD2 3.94Å; T935-Y939 HydrophobicContact CG2-CE2 3.34Å; T935-Y939 WeakPolarHBondContact O-CD2 3.49Å; T935-Y939 PolarHBondContact O-N 3.36Å; S936-Y939 PolarHBondContact O-N 3.01Å; L937-Y939 VanDerWaalsContact C-N 3.32Å; L937-Y939 PolarHBondContact O-N 3.33Å; Y939-V941 PolarHBondContact O-N 3.5Å; Y939-T942 PolarHBondContact O-N 3.23Å; Y939-Y943 WeakPolarHBondContact O-CB 3.45Å; Y939-Y943 PolarHBondContact O-N 3.44Å
940I84.6Confident79.9Confident4 Ų434.9 Ų34.92%0.02118%0.175CC..Hα-helixtrans-58.8-49.7176.7-67.1166.4000110.4T896 M900 L915 I918 S936 L937 Y943 L944T896-I940 HydrophobicContact CG2-CD1 3.96Å; T896-I940 HydrophobicContact CG2-CG1 3.9Å; M900-I940 HydrophobicContact CE-CB 4.19Å; M900-I940 HydrophobicContact CE-CG1 3.93Å; M900-I940 HydrophobicContact CE-CG2 4.12Å; M900-I940 HydrophobicContact SD-CG1 4.21Å; L915-I940 HydrophobicContact CD2-CD1 4.44Å; I918-I940 HydrophobicContact CD1-CD1 3.82Å; S936-I940 VanDerWaalsContact O-CG1 3.31Å; S936-I940 WeakPolarHBondContact O-CG1 3.47Å; S936-I940 PolarHBondContact O-N 2.79Å; S936-I940 VanDerWaalsContact O-N 3.09Å; L937-I940 PolarHBondContact O-N 3.06Å; I940-Y943 WeakPolarHBondContact O-CB 3.4Å; I940-Y943 PolarHBondContact O-N 3.25Å; I940-L944 HydrophobicContact CG2-CD1 3.93Å; I940-L944 WeakPolarHBondContact O-CD1 3.43Å; I940-L944 WeakPolarHBondContact O-CG 3.28Å; I940-L944 PolarHBondContact O-N 2.96Å
941V82.6Confident78.5Confident0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-65.6-40.7-179.1168.30000111.8L937 D938 Y939 Y943 L944 F945 L1008 L1011L937-V941 HydrophobicContact CD1-CG2 3.95Å; L937-V941 HydrophobicContact CG-CG2 4.29Å; L937-V941 VanDerWaalsContact O-CB 3.29Å; L937-V941 WeakPolarHBondContact O-CB 3.36Å; L937-V941 WeakPolarHBondContact O-CG2 3.43Å; L937-V941 PolarHBondContact O-N 3.18Å; D938-V941 PolarHBondContact O-N 2.76Å; Y939-V941 PolarHBondContact O-N 3.5Å; V941-Y943 VanDerWaalsContact C-N 3.31Å; V941-Y943 PolarHBondContact O-N 3.46Å; V941-L944 PolarHBondContact O-N 3.35Å; V941-F945 WeakPolarHBondContact O-CB 3.42Å; V941-F945 PolarHBondContact O-N 3.32Å; V941-L1008 HydrophobicContact CG2-CD2 3.77Å; V941-L1008 HydrophobicContact CG2-CG 4.15Å; V941-L1011 HydrophobicContact CB-CD1 4.37Å; V941-L1011 HydrophobicContact CG1-CD1 3.74Å; V941-L1011 HydrophobicContact CG1-CG 4.46Å; V941-L1011 HydrophobicContact CG2-CD1 4.38Å
942T83.6Confident76.7Confident15 Ų1541.3 Ų41.39%0.09222%0.219CC..Hα-helixtrans-61.6-41.9175.1-570000111.4D938 Y939 K946 L1050 R1055D938-T942 WeakPolarHBondContact O-CB 3.46Å; D938-T942 PolarHBondContact O-N 3.48Å; D938-T942 PolarHBondContact O-OG1 3.03Å; Y939-T942 PolarHBondContact O-N 3.23Å; T942-K946 HydrophobicContact CG2-CD 4.16Å; T942-K946 HydrophobicContact CG2-CG 4.49Å; T942-K946 WeakPolarHBondContact O-CB 3.49Å; T942-K946 WeakPolarHBondContact O-CG 3.33Å; T942-K946 PolarHBondContact O-N 3.39Å; T942-L1050 HydrophobicContact CG2-CD1 4.42Å; T942-R1055 PolarHBondContact OG1-NH2 3.38Å
943Y80.1Confident74.9Confident54 Ų5448.8 Ų48.821%0.21225%0.251CS..Hα-helixtrans-63-46.9178.7-174.3-86.8000111M900 I904 Y939 I940 V941 K946 H947M900-Y943 HydrophobicContact CB-CD2 4.17Å; M900-Y943 HydrophobicContact CB-CE2 4.31Å; M900-Y943 HydrophobicContact CE-CD1 4.17Å; M900-Y943 HydrophobicContact CE-CG 4.28Å; M900-Y943 HydrophobicContact CG-CD1 4.13Å; M900-Y943 HydrophobicContact CG-CD2 3.62Å; M900-Y943 HydrophobicContact CG-CE1 4.46Å; M900-Y943 HydrophobicContact CG-CE2 3.95Å; M900-Y943 HydrophobicContact CG-CG 3.7Å; I904-Y943 HydrophobicContact CD1-CD1 3.78Å; I904-Y943 HydrophobicContact CD1-CE1 3.08Å; I904-Y943 HydrophobicContact CD1-CE2 4.27Å; I904-Y943 WeakPolarHBondContact CD1-OH 2.96Å; I904-Y943 HydrophobicContact CG1-CE1 4.42Å; Y939-Y943 WeakPolarHBondContact O-CB 3.45Å; Y939-Y943 PolarHBondContact O-N 3.44Å; I940-Y943 WeakPolarHBondContact O-CB 3.4Å; I940-Y943 PolarHBondContact O-N 3.25Å; V941-Y943 VanDerWaalsContact C-N 3.31Å; V941-Y943 PolarHBondContact O-N 3.46Å; Y943-K946 PolarHBondContact O-N 3.1Å; Y943-H947 AromaticContact CD1-CD2 3.58Å; Y943-H947 AromaticContact CE1-CD2 3.11Å; Y943-H947 WeakPolarHBondContact CE1-CD2 3.5Å; Y943-H947 AromaticContact CE1-NE2 3.19Å; Y943-H947 WeakPolarHBondContact CE1-NE2 3.41Å; Y943-H947 AromaticContact CE2-NE2 3.75Å; Y943-H947 AromaticContact CZ-CD2 3.45Å; Y943-H947 VanDerWaalsContact CZ-CD2 3.45Å; Y943-H947 AromaticContact CZ-NE2 3.03Å; Y943-H947 PolarHBondContact O-CD2 3.31Å; Y943-H947 PolarHBondContact O-N 3.1Å; Y943-H947 VanDerWaalsContact O-N 3.13Å; Y943-H947 PolarHBondContact OH-NE2 3.06Å
944L76.6Confident72.9Confident7 Ų759 Ų594%0.03730%0.295CS..Hα-helixtrans-58.9-49.8175.5-72.7159.1000112.1I940 V941 K946 H947 I948 L968 M972 L1011I940-L944 HydrophobicContact CG2-CD1 3.93Å; I940-L944 WeakPolarHBondContact O-CD1 3.43Å; I940-L944 WeakPolarHBondContact O-CG 3.28Å; I940-L944 PolarHBondContact O-N 2.96Å; V941-L944 PolarHBondContact O-N 3.35Å; L944-K946 VanDerWaalsContact C-N 3.34Å; L944-K946 PolarHBondContact O-N 3.22Å; L944-H947 PolarHBondContact O-N 3.15Å; L944-H947 VanDerWaalsContact O-N 3.11Å; L944-I948 WeakPolarHBondContact O-CG1 3.41Å; L944-I948 PolarHBondContact O-N 2.75Å; L944-L968 HydrophobicContact CD1-CD2 4.3Å; L944-L968 HydrophobicContact CD2-CB 4.44Å; L944-L968 HydrophobicContact CD2-CD2 3.54Å; L944-L968 HydrophobicContact CD2-CG 3.81Å; L944-L968 HydrophobicContact CG-CD2 3.83Å; L944-M972 HydrophobicContact CD1-CE 3.75Å; L944-M972 HydrophobicContact CD1-SD 3.17Å; L944-M972 WeakPolarHBondContact CD1-SD 3.5Å; L944-M972 HydrophobicContact CD2-SD 3.73Å; L944-M972 HydrophobicContact CG-SD 4.06Å; L944-L1011 HydrophobicContact CB-CD1 4.19Å; L944-L1011 HydrophobicContact CD1-CD1 4.36Å
945F75.9Confident70.9Confident44 Ų4464.2 Ų64.219%0.19333%0.329CS..Hα-helixtrans-60.6-42.5179.9-172.7-92.3000112V941 H947 I948 A949 L1010 L1011 L1050V941-F945 WeakPolarHBondContact O-CB 3.42Å; V941-F945 PolarHBondContact O-N 3.32Å; F945-H947 VanDerWaalsContact C-N 3.29Å; F945-H947 PolarHBondContact O-N 2.94Å; F945-I948 PolarHBondContact O-N 3.08Å; F945-A949 VanDerWaalsContact O-CB 3.27Å; F945-A949 WeakPolarHBondContact O-CB 3.35Å; F945-A949 PolarHBondContact O-N 3.4Å; F945-L1010 HydrophobicContact CD2-CB 4.32Å; F945-L1010 HydrophobicContact CE2-CB 3.99Å; F945-L1010 HydrophobicContact CE2-CD1 4.18Å; F945-L1010 HydrophobicContact CZ-CD1 4.42Å; F945-L1011 HydrophobicContact CB-CD2 4.37Å; F945-L1011 HydrophobicContact CD2-CD2 4.26Å; F945-L1050 HydrophobicContact CB-CD1 3.6Å; F945-L1050 HydrophobicContact CD1-CD1 3.77Å; F945-L1050 HydrophobicContact CD1-CG 3.95Å; F945-L1050 HydrophobicContact CD2-CD1 4.41Å; F945-L1050 HydrophobicContact CE1-CG 4.32Å; F945-L1050 HydrophobicContact CG-CD1 3.66Å; F945-L1050 HydrophobicContact CG-CG 4.16Å
946K78Confident69Low127 Ų12771.5 Ų71.555%0.55237%0.366SS*.Hα-helixtrans-63.3-32.2176-78.3177.6-179.9174.50112.9T942 Y943 L944 K950T942-K946 HydrophobicContact CG2-CD 4.16Å; T942-K946 HydrophobicContact CG2-CG 4.49Å; T942-K946 WeakPolarHBondContact O-CB 3.49Å; T942-K946 WeakPolarHBondContact O-CG 3.33Å; T942-K946 PolarHBondContact O-N 3.39Å; Y943-K946 PolarHBondContact O-N 3.1Å; L944-K946 VanDerWaalsContact C-N 3.34Å; L944-K946 PolarHBondContact O-N 3.22Å; K946-K950 WeakPolarHBondContact O-CB 3.49Å; K946-K950 VanDerWaalsContact O-CG 3.25Å; K946-K950 WeakPolarHBondContact O-CG 3.34Å; K946-K950 PolarHBondContact O-N 3.48Å
947H69.5Low66.7Low38 Ų3883.1 Ų83.118%0.17641%0.41CS..Hα-helixtrans-76.9-45.8177.2-89.8-75.1000112.4Y943 L944 F945 A949 K950 E951 A961Y943-H947 AromaticContact CD1-CD2 3.58Å; Y943-H947 AromaticContact CE1-CD2 3.11Å; Y943-H947 WeakPolarHBondContact CE1-CD2 3.5Å; Y943-H947 AromaticContact CE1-NE2 3.19Å; Y943-H947 WeakPolarHBondContact CE1-NE2 3.41Å; Y943-H947 AromaticContact CE2-NE2 3.75Å; Y943-H947 AromaticContact CZ-CD2 3.45Å; Y943-H947 VanDerWaalsContact CZ-CD2 3.45Å; Y943-H947 AromaticContact CZ-NE2 3.03Å; Y943-H947 PolarHBondContact O-CD2 3.31Å; Y943-H947 PolarHBondContact O-N 3.1Å; Y943-H947 VanDerWaalsContact O-N 3.13Å; Y943-H947 PolarHBondContact OH-NE2 3.06Å; L944-H947 PolarHBondContact O-N 3.15Å; L944-H947 VanDerWaalsContact O-N 3.11Å; F945-H947 VanDerWaalsContact C-N 3.29Å; F945-H947 PolarHBondContact O-N 2.94Å; H947-A949 VanDerWaalsContact C-N 3.27Å; H947-A949 PolarHBondContact O-N 3.33Å; H947-K950 WeakPolarHBondContact O-CA 3.47Å; H947-K950 PolarHBondContact O-N 2.91Å; H947-E951 PolarHBondContact O-N 2.85Å; H947-A961 PolarHBondContact CE1-O 3.27Å
948I66.9Low64.4Low75 Ų7587.2 Ų87.239%0.38544%0.437SS..Hα-helixtrans-58.8-41.8175.2-65165.3000110.4L944 F945 K950 E951 L969 L1011L944-I948 WeakPolarHBondContact O-CG1 3.41Å; L944-I948 PolarHBondContact O-N 2.75Å; F945-I948 PolarHBondContact O-N 3.08Å; I948-K950 VanDerWaalsContact C-N 3.26Å; I948-K950 PolarHBondContact O-N 3.31Å; I948-E951 PolarHBondContact O-N 2.73Å; I948-L969 HydrophobicContact CD1-CD1 3.78Å; I948-L969 HydrophobicContact CG1-CD1 3.86Å; I948-L1011 HydrophobicContact CD1-CD2 3.56Å
949A61.4Low62.4Low60 Ų6097.7 Ų97.750%0.49648%0.477SS..Hα-helixtrans-66.8-23.7175.800000114F945 H947F945-A949 VanDerWaalsContact O-CB 3.27Å; F945-A949 WeakPolarHBondContact O-CB 3.35Å; F945-A949 PolarHBondContact O-N 3.4Å; H947-A949 VanDerWaalsContact C-N 3.27Å; H947-A949 PolarHBondContact O-N 3.33Å
950K62.1Low60.4Low143 Ų143102.2 Ų102.262%0.62250%0.5SS*.Hα-helixtrans-86.7-28.1178.1-81.5177.7-179.9-177.60113.3K946 H947 I948 G952 K953K946-K950 WeakPolarHBondContact O-CB 3.49Å; K946-K950 VanDerWaalsContact O-CG 3.25Å; K946-K950 WeakPolarHBondContact O-CG 3.34Å; K946-K950 PolarHBondContact O-N 3.48Å; H947-K950 WeakPolarHBondContact O-CA 3.47Å; H947-K950 PolarHBondContact O-N 2.91Å; I948-K950 VanDerWaalsContact C-N 3.26Å; I948-K950 PolarHBondContact O-N 3.31Å; K950-G952 PolarHBondContact O-N 3.26Å; K950-K953 PolarHBondContact O-N 3.49Å; K950-K953 VanDerWaalsContact O-O 3.07Å
951E52.3Low58.4Low109 Ų109104.5 Ų104.551%0.50952%0.519SS..Hα-helixtrans-60.6-25.5174.3-74.6-167.514600112.6H947 I948 K953 Q966H947-E951 PolarHBondContact O-N 2.85Å; I948-E951 PolarHBondContact O-N 2.73Å; E951-K953 VanDerWaalsContact C-N 3.33Å; E951-K953 PolarHBondContact O-N 3.47Å; E951-Q966 PolarHBondContact OE1-NE2 3.45Å
952G48.1Very low56.8Low71 Ų71107.4 Ų107.473%0.73254%0.537SS*.THydrogen-bonded Turntrans-74.2-10.1173.600000116K950K950-G952 PolarHBondContact O-N 3.26Å
953K47.6Very low55.3Low166 Ų166112.2 Ų112.272%0.72256%0.559SS**SBendtrans-131.1105.4179.9-71.2-176.2179.6179.30110.5K950 E951 P955K950-K953 PolarHBondContact O-N 3.49Å; K950-K953 VanDerWaalsContact O-O 3.07Å; E951-K953 VanDerWaalsContact C-N 3.33Å; E951-K953 PolarHBondContact O-N 3.47Å; K953-P955 WeakPolarHBondContact O-CD 3.41Å
954K43.4Very low53.9Low214 Ų214110.2 Ų110.293%0.9355%0.554SS**  trans-49.4130.1176.6-73.4-178.6176.2177.70112.5
955P44.8Very low52.8Low111 Ų111110.2 Ų110.272%0.72156%0.555SS**  trans-133.5130.1155.325.4-2.3000113.1K953 R957K953-P955 WeakPolarHBondContact O-CD 3.41Å; P955-R957 VanDerWaalsContact C-N 3.31Å; P955-R957 PolarHBondContact O-N 2.91Å; P955-R957 VanDerWaalsContact O-N 3.15Å
956L44.8Very low52.1Low183 Ų183112.2 Ų112.296%0.95857%0.565SS**THydrogen-bonded Turntrans-76.620-174.1-97.3140000116.3
957R40.4Very low51.3Low244 Ų244113.2 Ų113.292%0.92157%0.565SS**THydrogen-bonded Turntrans-139.55.5-170.8-92.4-171.9178.2178.2-0.9120.5P955P955-R957 VanDerWaalsContact C-N 3.31Å; P955-R957 PolarHBondContact O-N 2.91Å; P955-R957 VanDerWaalsContact O-N 3.15Å
958C37.5Very low51.1Low87 Ų87111.6 Ų111.659%0.58856%0.558SS**  trans-134100.1172.5-89.70000110.8T962C958-T962 PolarHBondContact O-OG1 3.13Å
959R43.2Very low51Low227 Ų227109.6 Ų109.686%0.85755%0.548SS*.SBendtrans-86.5-32176.8-93.9-179.7171.8175.9-3113.5Q963R959-Q963 PolarHBondContact O-N 2.72Å
960E44.1Very low51.3Low168 Ų168111.8 Ų111.879%0.78555%0.547SS*.Hα-helixtrans-80.5-43.6-173.5-66.9177.1172.100113.8T962 Q963 A964E960-T962 PolarHBondContact O-N 3.36Å; E960-Q963 PolarHBondContact O-N 2.85Å; E960-A964 PolarHBondContact O-N 2.85Å
961A42.7Very low51.7Low51 Ų51105.7 Ų105.742%0.42152%0.521SS..Hα-helixtrans-65.3-25.7176.500000113.1H947 G965H947-A961 PolarHBondContact CE1-O 3.27Å; A961-G965 PolarHBondContact O-N 3.33Å
962T50Low52.5Low61 Ų61101.3 Ų101.337%0.37450%0.501SS..Hα-helixtrans-80.4-32-178.3-42.90000111.5C958 E960 Q966C958-T962 PolarHBondContact O-OG1 3.13Å; E960-T962 PolarHBondContact O-N 3.36Å; T962-Q966 VanDerWaalsContact O-CG 3.25Å; T962-Q966 WeakPolarHBondContact O-CG 3.36Å; T962-Q966 PolarHBondContact O-N 3.15Å
963Q52.2Low53.4Low116 Ų116104.3 Ų104.354%0.54250%0.496SS..Hα-helixtrans-72.7-36.3173.6-78.3-179.7-9.200113.2R959 E960 Q966 R967R959-Q963 PolarHBondContact O-N 2.72Å; E960-Q963 PolarHBondContact O-N 2.85Å; Q963-Q966 PolarHBondContact O-N 3.46Å; Q963-R967 PolarHBondContact O-N 2.95Å
964A49.8Very low54.4Low13 Ų13102.3 Ų102.311%0.10749%0.489CS..Hα-helixtrans-66.7-48.3179.200000111.8I904 E960 Q966 R967 L968I904-A964 HydrophobicContact CG2-CB 3.91Å; I904-A964 WeakPolarHBondContact CG2-O 3.47Å; E960-A964 PolarHBondContact O-N 2.85Å; A964-Q966 PolarHBondContact O-N 2.9Å; A964-R967 PolarHBondContact O-N 3.34Å; A964-R967 VanDerWaalsContact O-N 3.1Å; A964-L968 PolarHBondContact O-N 3.47Å
965G54.7Low55.8Low6 Ų694.6 Ų94.66%0.06246%0.458CS..Hα-helixtrans-58.5-34.7176.600000113.5A961 L968 L969A961-G965 PolarHBondContact O-N 3.33Å; G965-L968 PolarHBondContact O-N 2.85Å; G965-L969 WeakPolarHBondContact O-CB 3.29Å; G965-L969 PolarHBondContact O-N 2.97Å
966Q59.7Low57Low86 Ų8691.7 Ų91.740%0.40244%0.439SS..Hα-helixtrans-67-32.9176-75.9175.1-13.300113.5E951 T962 Q963 A964 H970E951-Q966 PolarHBondContact OE1-NE2 3.45Å; T962-Q966 VanDerWaalsContact O-CG 3.25Å; T962-Q966 WeakPolarHBondContact O-CG 3.36Å; T962-Q966 PolarHBondContact O-N 3.15Å; Q963-Q966 PolarHBondContact O-N 3.46Å; A964-Q966 PolarHBondContact O-N 2.9Å; Q966-H970 WeakPolarHBondContact O-CB 3.47Å; Q966-H970 PolarHBondContact O-N 3.14Å
967R63.2Low58.5Low148 Ų14888.3 Ų88.356%0.55842%0.422SS*.Hα-helixtrans-67-44.9175.6-70.2179.8-173169.40.3112N905 Q963 A964 H970 F971N905-R967 PolarHBondContact OD1-NH1 3.18Å; Q963-R967 PolarHBondContact O-N 2.95Å; A964-R967 PolarHBondContact O-N 3.34Å; A964-R967 VanDerWaalsContact O-N 3.1Å; R967-H970 PolarHBondContact O-N 2.9Å; R967-F971 WeakPolarHBondContact O-CB 3.35Å; R967-F971 PolarHBondContact O-N 3.27Å
968L65.3Low60.2Low4 Ų477.4 Ų77.42%0.02138%0.382CS..Hα-helixtrans-65.3-42.9176.3-174.668.6000110.8M900 I904 L911 L944 A964 G965 F971 M972M900-L968 HydrophobicContact CE-CD2 3.69Å; I904-L968 HydrophobicContact CD1-CD2 4.41Å; I904-L968 HydrophobicContact CG1-CB 4.22Å; I904-L968 HydrophobicContact CG1-CD2 4Å; I904-L968 HydrophobicContact CG2-CB 4.21Å; L911-L968 HydrophobicContact CD1-CD1 4.37Å; L911-L968 HydrophobicContact CD2-CD1 3.78Å; L944-L968 HydrophobicContact CD1-CD2 4.3Å; L944-L968 HydrophobicContact CD2-CB 4.44Å; L944-L968 HydrophobicContact CD2-CD2 3.54Å; L944-L968 HydrophobicContact CD2-CG 3.81Å; L944-L968 HydrophobicContact CG-CD2 3.83Å; A964-L968 PolarHBondContact O-N 3.47Å; G965-L968 PolarHBondContact O-N 2.85Å; L968-F971 PolarHBondContact O-N 3.39Å; L968-M972 HydrophobicContact CG-SD 4.34Å; L968-M972 WeakPolarHBondContact O-CB 3.49Å; L968-M972 VanDerWaalsContact O-CG 3.24Å; L968-M972 WeakPolarHBondContact O-CG 3.32Å; L968-M972 PolarHBondContact O-N 3.39Å
969L64.1Low62.1Low34 Ų3473.8 Ų73.818%0.17836%0.357CS..Hα-helixtrans-61.3-46.4176.3-172.771000111.7I948 G965 M972 Q973I948-L969 HydrophobicContact CD1-CD1 3.78Å; I948-L969 HydrophobicContact CG1-CD1 3.86Å; G965-L969 WeakPolarHBondContact O-CB 3.29Å; G965-L969 PolarHBondContact O-N 2.97Å; L969-M972 PolarHBondContact O-N 3Å; L969-Q973 WeakPolarHBondContact O-CB 3.47Å; L969-Q973 VanDerWaalsContact O-CG 3.28Å; L969-Q973 WeakPolarHBondContact O-CG 3.25Å; L969-Q973 PolarHBondContact O-N 2.88Å
970H67.4Low63.9Low105 Ų10565.4 Ų65.449%0.48633%0.328SS..Hα-helixtrans-63.6-43.7177.1-176.7-85.4000111.7Q966 R967 M972 Q973 Q974Q966-H970 WeakPolarHBondContact O-CB 3.47Å; Q966-H970 PolarHBondContact O-N 3.14Å; R967-H970 PolarHBondContact O-N 2.9Å; H970-M972 VanDerWaalsContact C-N 3.31Å; H970-M972 PolarHBondContact O-N 3.27Å; H970-Q973 PolarHBondContact O-N 2.85Å; H970-Q974 PolarHBondContact CE1-NE2 2.64Å; H970-Q974 PolarHBondContact ND1-OE1 3.2Å; H970-Q974 WeakPolarHBondContact O-CB 3.24Å; H970-Q974 VanDerWaalsContact O-CG 3.28Å; H970-Q974 WeakPolarHBondContact O-CG 3.24Å; H970-Q974 PolarHBondContact O-N 2.91Å
971F69.6Low65.7Low16 Ų1662.7 Ų62.77%0.0732%0.315CS..Hα-helixtrans-61.2-39.1175.2175.3-91.2000112.3P908 L911 M912 L915 R967 L968 Q974 N975P908-F971 HydrophobicContact CB-CD2 4.2Å; P908-F971 HydrophobicContact CB-CE2 3.84Å; L911-F971 HydrophobicContact CB-CE1 4.33Å; L911-F971 HydrophobicContact CB-CZ 4Å; L911-F971 HydrophobicContact CD2-CD1 3.46Å; L911-F971 VanDerWaalsContact CD2-CD1 3.46Å; L911-F971 HydrophobicContact CD2-CD2 4.23Å; L911-F971 HydrophobicContact CD2-CE1 3.46Å; L911-F971 VanDerWaalsContact CD2-CE1 3.46Å; L911-F971 HydrophobicContact CD2-CE2 4.22Å; L911-F971 HydrophobicContact CD2-CG 3.84Å; L911-F971 HydrophobicContact CD2-CZ 3.81Å; L911-F971 HydrophobicContact CG-CD1 4.2Å; L911-F971 HydrophobicContact CG-CE1 3.68Å; L911-F971 HydrophobicContact CG-CZ 3.88Å; M912-F971 HydrophobicContact CB-CZ 4.5Å; M912-F971 HydrophobicContact CG-CE2 4.09Å; M912-F971 HydrophobicContact CG-CZ 3.56Å; M912-F971 HydrophobicContact SD-CE1 3.96Å; M912-F971 HydrophobicContact SD-CE2 4.22Å; M912-F971 HydrophobicContact SD-CZ 3.37Å; M912-F971 WeakPolarHBondContact SD-CZ 3.36Å; L915-F971 HydrophobicContact CD1-CE1 3.85Å; R967-F971 WeakPolarHBondContact O-CB 3.35Å; R967-F971 PolarHBondContact O-N 3.27Å; L968-F971 PolarHBondContact O-N 3.39Å; F971-Q974 PolarHBondContact O-N 3.24Å; F971-N975 PolarHBondContact O-N 3.42Å; F971-N975 PolarHBondContact O-ND2 3.35Å
972M69.5Low67.6Low16 Ų1660.3 Ų60.38%0.07930%0.295CS..Hα-helixtrans-74.5-32.7176.7-72.4-170.4129.700113.5L944 L968 L969 H970 Q974 N975 L979L944-M972 HydrophobicContact CD1-CE 3.75Å; L944-M972 HydrophobicContact CD1-SD 3.17Å; L944-M972 WeakPolarHBondContact CD1-SD 3.5Å; L944-M972 HydrophobicContact CD2-SD 3.73Å; L944-M972 HydrophobicContact CG-SD 4.06Å; L968-M972 HydrophobicContact CG-SD 4.34Å; L968-M972 WeakPolarHBondContact O-CB 3.49Å; L968-M972 VanDerWaalsContact O-CG 3.24Å; L968-M972 WeakPolarHBondContact O-CG 3.32Å; L968-M972 PolarHBondContact O-N 3.39Å; L969-M972 PolarHBondContact O-N 3Å; H970-M972 VanDerWaalsContact C-N 3.31Å; H970-M972 PolarHBondContact O-N 3.27Å; M972-Q974 VanDerWaalsContact C-N 3.25Å; M972-Q974 PolarHBondContact O-N 3.03Å; M972-N975 CarbonylContact O-C 3.16Å; M972-N975 VanDerWaalsContact O-C 3.24Å; M972-N975 PolarHBondContact O-N 2.73Å; M972-L979 HydrophobicContact CB-CD1 4.41Å; M972-L979 HydrophobicContact CE-CD1 3.62Å; M972-L979 HydrophobicContact CE-CD2 3.51Å; M972-L979 HydrophobicContact CE-CG 3.65Å; M972-L979 HydrophobicContact CG-CD1 4.47Å; M972-L979 HydrophobicContact SD-CD1 3.88Å
973Q67.9Low69.1Low135 Ų13557.4 Ų57.463%0.63128%0.277SS*.Hα-helixtrans-65.6-31.4169.6-75.6173.4-600111.8L969 H970L969-Q973 WeakPolarHBondContact O-CB 3.47Å; L969-Q973 VanDerWaalsContact O-CG 3.28Å; L969-Q973 WeakPolarHBondContact O-CG 3.25Å; L969-Q973 PolarHBondContact O-N 2.88Å; H970-Q973 PolarHBondContact O-N 2.85Å
974Q68.4Low70.5Confident123 Ų12353.2 Ų53.258%0.57526%0.261SS*.Hα-helixtrans-77.9-22.2174.5-72.6-178.4-35.500113.5H970 F971 M972 P976H970-Q974 PolarHBondContact CE1-NE2 2.64Å; H970-Q974 PolarHBondContact ND1-OE1 3.2Å; H970-Q974 WeakPolarHBondContact O-CB 3.24Å; H970-Q974 VanDerWaalsContact O-CG 3.28Å; H970-Q974 WeakPolarHBondContact O-CG 3.24Å; H970-Q974 PolarHBondContact O-N 2.91Å; F971-Q974 PolarHBondContact O-N 3.24Å; M972-Q974 VanDerWaalsContact C-N 3.25Å; M972-Q974 PolarHBondContact O-N 3.03Å; Q974-P976 VanDerWaalsContact C-CD 3.48Å
975N72.1Confident71.9Confident53 Ų5353.8 Ų53.828%0.28326%0.263SS..  trans-130.461.1-179.6-58.9-84.6000111.4M912 F971 M972 D977 V978M912-N975 HydrophobicContact SD-CB 4.41Å; F971-N975 PolarHBondContact O-N 3.42Å; F971-N975 PolarHBondContact O-ND2 3.35Å; M972-N975 CarbonylContact O-C 3.16Å; M972-N975 VanDerWaalsContact O-C 3.24Å; M972-N975 PolarHBondContact O-N 2.73Å; N975-D977 PolarHBondContact O-N 3.13Å; N975-V978 HydrophobicContact CB-CG2 4.29Å; N975-V978 PolarHBondContact O-N 3.39Å
976P71.2Confident73.1Confident50 Ų5053.6 Ų53.633%0.32526%0.261SS..Hα-helixtrans-63.7-28.9-177.627.2-34.2000112.2Q974 V978 L979 Q980Q974-P976 VanDerWaalsContact C-CD 3.48Å; P976-V978 PolarHBondContact O-N 3.12Å; P976-V978 VanDerWaalsContact O-N 3.16Å; P976-L979 PolarHBondContact O-N 2.93Å; P976-Q980 VanDerWaalsContact O-CG 3.3Å; P976-Q980 WeakPolarHBondContact O-CG 3.44Å; P976-Q980 PolarHBondContact O-N 3.18Å; P976-Q980 VanDerWaalsContact O-N 3.16Å
977D75.5Confident74Confident112 Ų11249.6 Ų49.660%0.59924%0.242SC*.Hα-helixtrans-56.4-32.8-177-57.6-34.9000112.9N975 Q980 Q981N975-D977 PolarHBondContact O-N 3.13Å; D977-Q980 PolarHBondContact O-N 3.47Å; D977-Q981 WeakPolarHBondContact O-CB 3.46Å; D977-Q981 PolarHBondContact O-N 3.33Å
978V76.4Confident74.6Confident14 Ų1445.2 Ų45.29%0.08523%0.23CC..Hα-helixtrans-68.7-45.8-177.4-179.20000111.4M912 L915 N975 P976 Q980 Q981 M982M912-V978 HydrophobicContact CE-CG2 3.66Å; M912-V978 HydrophobicContact SD-CG2 4.28Å; L915-V978 HydrophobicContact CB-CG1 3.83Å; L915-V978 HydrophobicContact CD1-CG1 4.22Å; N975-V978 HydrophobicContact CB-CG2 4.29Å; N975-V978 PolarHBondContact O-N 3.39Å; P976-V978 PolarHBondContact O-N 3.12Å; P976-V978 VanDerWaalsContact O-N 3.16Å; V978-Q980 VanDerWaalsContact C-N 3.34Å; V978-Q981 PolarHBondContact O-N 2.99Å; V978-M982 HydrophobicContact CG1-CE 3.81Å; V978-M982 HydrophobicContact CG1-SD 4.42Å; V978-M982 VanDerWaalsContact O-CG 3.31Å; V978-M982 WeakPolarHBondContact O-CG 3.03Å; V978-M982 PolarHBondContact O-N 2.8Å
979L76.6Confident74.9Confident12 Ų1245.6 Ų45.66%0.06323%0.232CC..Hα-helixtrans-69.1-37.1177.4-74171.4000111.6M972 P976 M982 M983 L1008M972-L979 HydrophobicContact CB-CD1 4.41Å; M972-L979 HydrophobicContact CE-CD1 3.62Å; M972-L979 HydrophobicContact CE-CD2 3.51Å; M972-L979 HydrophobicContact CE-CG 3.65Å; M972-L979 HydrophobicContact CG-CD1 4.47Å; M972-L979 HydrophobicContact SD-CD1 3.88Å; P976-L979 PolarHBondContact O-N 2.93Å; L979-M982 PolarHBondContact O-N 3.39Å; L979-M983 WeakPolarHBondContact O-CB 3.46Å; L979-M983 PolarHBondContact O-N 3.12Å; L979-L1008 HydrophobicContact CB-CD2 4.41Å; L979-L1008 HydrophobicContact CD2-CD2 3.45Å; L979-L1008 VanDerWaalsContact CD2-CD2 3.45Å; L979-L1008 HydrophobicContact CG-CD2 4.49Å
980Q82.2Confident75.3Confident50 Ų5044.2 Ų44.223%0.23423%0.225CC..Hα-helixtrans-62.5-45.4174.5-69.3-176.37.900111P976 D977 V978 M983 S984 Y1015P976-Q980 VanDerWaalsContact O-CG 3.3Å; P976-Q980 WeakPolarHBondContact O-CG 3.44Å; P976-Q980 PolarHBondContact O-N 3.18Å; P976-Q980 VanDerWaalsContact O-N 3.16Å; D977-Q980 PolarHBondContact O-N 3.47Å; V978-Q980 VanDerWaalsContact C-N 3.34Å; Q980-M983 PolarHBondContact O-N 3.42Å; Q980-S984 WeakPolarHBondContact O-CB 3.29Å; Q980-S984 PolarHBondContact O-N 3.49Å; Q980-Y1015 VanDerWaalsContact CA-CE1 3.46Å; Q980-Y1015 HydrophobicContact CB-CD1 3.71Å; Q980-Y1015 HydrophobicContact CB-CD2 4.33Å; Q980-Y1015 HydrophobicContact CB-CE1 3.42Å; Q980-Y1015 VanDerWaalsContact CB-CE1 3.42Å; Q980-Y1015 HydrophobicContact CB-CE2 4.02Å; Q980-Y1015 HydrophobicContact CB-CG 4.19Å; Q980-Y1015 HydrophobicContact CG-CD1 3.5Å; Q980-Y1015 VanDerWaalsContact CG-CD1 3.5Å; Q980-Y1015 HydrophobicContact CG-CD2 3.86Å; Q980-Y1015 HydrophobicContact CG-CE1 3.78Å; Q980-Y1015 HydrophobicContact CG-CE2 4.06Å; Q980-Y1015 HydrophobicContact CG-CG 3.58Å; Q980-Y1015 WeakPolarHBondContact O-CE1 3.43Å
981Q80.9Confident75.3Confident112 Ų11240.5 Ų40.552%0.52321%0.209SC..Hα-helixtrans-61.5-47.6175.6-173.3-178.16.400111.6D977 V978 M983 S984 V985D977-Q981 WeakPolarHBondContact O-CB 3.46Å; D977-Q981 PolarHBondContact O-N 3.33Å; V978-Q981 PolarHBondContact O-N 2.99Å; Q981-M983 VanDerWaalsContact C-N 3.33Å; Q981-M983 PolarHBondContact O-N 3.42Å; Q981-S984 WeakPolarHBondContact O-CB 3.44Å; Q981-S984 PolarHBondContact O-N 2.88Å; Q981-V985 VanDerWaalsContact O-CG2 3.3Å; Q981-V985 WeakPolarHBondContact O-CG2 3.34Å; Q981-V985 PolarHBondContact O-N 2.82Å
982M82.9Confident75Confident0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-60.1-41.9176.7-71.3173.8178.500112.2L915 I918 L937 V978 L979 V985 L986 L1008L915-M982 HydrophobicContact CB-CE 3.87Å; L915-M982 HydrophobicContact CD2-CE 4.06Å; L915-M982 WeakPolarHBondContact O-CE 3.36Å; I918-M982 HydrophobicContact CB-CE 4.17Å; I918-M982 HydrophobicContact CG2-CE 4.23Å; L937-M982 HydrophobicContact CD1-SD 3.68Å; L937-M982 HydrophobicContact CD2-CB 4.42Å; L937-M982 HydrophobicContact CD2-SD 4.29Å; V978-M982 HydrophobicContact CG1-CE 3.81Å; V978-M982 HydrophobicContact CG1-SD 4.42Å; V978-M982 VanDerWaalsContact O-CG 3.31Å; V978-M982 WeakPolarHBondContact O-CG 3.03Å; V978-M982 PolarHBondContact O-N 2.8Å; L979-M982 PolarHBondContact O-N 3.39Å; M982-V985 PolarHBondContact O-N 3.02Å; M982-L986 WeakPolarHBondContact O-CG 3.34Å; M982-L986 PolarHBondContact O-N 3.06Å; M982-L1008 HydrophobicContact CB-CD1 4.34Å
983M81.7Confident74.6Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-65.4-41.1176.8-165.9-178.481.400111.6L979 Q980 Q981 L986 M987 L1005 L1008 I1009 Y1015 F1016 L1019L979-M983 WeakPolarHBondContact O-CB 3.46Å; L979-M983 PolarHBondContact O-N 3.12Å; Q980-M983 PolarHBondContact O-N 3.42Å; Q981-M983 VanDerWaalsContact C-N 3.33Å; Q981-M983 PolarHBondContact O-N 3.42Å; M983-L986 PolarHBondContact O-N 3.27Å; M983-M987 WeakPolarHBondContact O-CB 3.29Å; M983-M987 VanDerWaalsContact O-CG 3.28Å; M983-M987 WeakPolarHBondContact O-CG 3.33Å; M983-M987 PolarHBondContact O-N 3.13Å; M983-L1005 HydrophobicContact CG-CD1 4.08Å; M983-L1008 HydrophobicContact CB-CB 4.38Å; M983-L1008 HydrophobicContact CB-CD1 4.09Å; M983-L1008 HydrophobicContact CG-CB 4.18Å; M983-L1008 HydrophobicContact SD-CB 4.41Å; M983-I1009 HydrophobicContact SD-CG1 4.49Å; M983-Y1015 HydrophobicContact CE-CD1 3.16Å; M983-Y1015 HydrophobicContact CE-CE1 3.56Å; M983-Y1015 HydrophobicContact CE-CG 4.19Å; M983-Y1015 HydrophobicContact SD-CD1 4.37Å; M983-F1016 VanDerWaalsContact CE-CA 3.47Å; M983-F1016 HydrophobicContact CE-CB 3.86Å; M983-F1016 HydrophobicContact CE-CD2 4.18Å; M983-F1016 HydrophobicContact SD-CB 4.13Å; M983-F1016 HydrophobicContact SD-CD2 4.3Å; M983-L1019 HydrophobicContact CE-CB 4.26Å; M983-L1019 HydrophobicContact CE-CD2 3.85Å
984S80.4Confident74Confident29 Ų2942.2 Ų42.220%0.20322%0.22CC..Hα-helixtrans-62.1-45.2174.4-178.70000111.4Q980 Q981 M987 N988Q980-S984 WeakPolarHBondContact O-CB 3.29Å; Q980-S984 PolarHBondContact O-N 3.49Å; Q981-S984 WeakPolarHBondContact O-CB 3.44Å; Q981-S984 PolarHBondContact O-N 2.88Å; S984-M987 PolarHBondContact O-N 2.93Å; S984-N988 VanDerWaalsContact O-CB 3.27Å; S984-N988 WeakPolarHBondContact O-CB 3.5Å; S984-N988 PolarHBondContact O-N 2.89Å; S984-N988 PolarHBondContact O-ND2 3.35Å; S984-N988 PolarHBondContact OG-ND2 2.9Å
985V80Confident73.6Confident25 Ų2537.1 Ų37.115%0.15220%0.197CC..Hα-helixtrans-58.6-52.5176.1169.40000110.8L922 T923 Q981 M982 M987 N988 T989L922-V985 HydrophobicContact CB-CG1 4.01Å; T923-V985 HydrophobicContact CG2-CG1 3.69Å; T923-V985 HydrophobicContact CG2-CG2 4.45Å; Q981-V985 VanDerWaalsContact O-CG2 3.3Å; Q981-V985 WeakPolarHBondContact O-CG2 3.34Å; Q981-V985 PolarHBondContact O-N 2.82Å; M982-V985 PolarHBondContact O-N 3.02Å; V985-M987 PolarHBondContact O-N 3.24Å; V985-N988 PolarHBondContact O-N 3.38Å; V985-T989 WeakPolarHBondContact O-CB 3.5Å; V985-T989 PolarHBondContact O-N 3.14Å; V985-T989 PolarHBondContact O-OG1 3.04Å
986L80.3Confident73Confident2 Ų244.7 Ų44.71%0.0122%0.222CC..Hα-helixtrans-61.8-41.2-180-67.8-176.4000112.7L922 L937 M982 M983 T989 I990 V1001 P1004 L1005 L1008L922-L986 HydrophobicContact CB-CD2 4.48Å; L922-L986 HydrophobicContact CD1-CD2 3.84Å; L922-L986 HydrophobicContact CD1-CG 4.18Å; L922-L986 HydrophobicContact CD2-CD2 3.77Å; L922-L986 HydrophobicContact CG-CD2 4.24Å; L937-L986 HydrophobicContact CD2-CD1 4.12Å; M982-L986 WeakPolarHBondContact O-CG 3.34Å; M982-L986 PolarHBondContact O-N 3.06Å; M983-L986 PolarHBondContact O-N 3.27Å; L986-T989 PolarHBondContact O-N 3.13Å; L986-I990 WeakPolarHBondContact O-CD1 3.35Å; L986-I990 WeakPolarHBondContact O-CG1 3.27Å; L986-I990 PolarHBondContact O-N 3.14Å; L986-V1001 HydrophobicContact CB-CG1 4.41Å; L986-V1001 HydrophobicContact CD2-CG1 4.06Å; L986-P1004 HydrophobicContact CD1-CB 4.28Å; L986-P1004 HydrophobicContact CD1-CG 4.03Å; L986-L1005 HydrophobicContact CB-CD1 4.46Å; L986-L1005 HydrophobicContact CD1-CB 4.29Å; L986-L1008 HydrophobicContact CD1-CD1 4.04Å
987M79.4Confident72.7Confident1 Ų144 Ų441%0.00522%0.216CC..Hα-helixtrans-68.2-39.8177.7-72.8-62.5-83.300111.8M983 S984 V985 T989 I990 V991 L1005 F1016 L1019 F1039M983-M987 WeakPolarHBondContact O-CB 3.29Å; M983-M987 VanDerWaalsContact O-CG 3.28Å; M983-M987 WeakPolarHBondContact O-CG 3.33Å; M983-M987 PolarHBondContact O-N 3.13Å; S984-M987 PolarHBondContact O-N 2.93Å; V985-M987 PolarHBondContact O-N 3.24Å; M987-T989 VanDerWaalsContact C-N 3.34Å; M987-I990 PolarHBondContact O-N 3.15Å; M987-V991 WeakPolarHBondContact O-CB 3.42Å; M987-V991 VanDerWaalsContact O-CG2 3.22Å; M987-V991 WeakPolarHBondContact O-CG2 3.38Å; M987-V991 PolarHBondContact O-N 2.85Å; M987-L1005 HydrophobicContact CG-CD1 3.83Å; M987-L1005 HydrophobicContact SD-CD1 3.66Å; M987-L1005 HydrophobicContact SD-CD2 3.44Å; M987-L1005 WeakPolarHBondContact SD-CD2 3.45Å; M987-L1005 HydrophobicContact SD-CG 4.16Å; M987-F1016 HydrophobicContact CE-CE2 3.64Å; M987-F1016 HydrophobicContact CE-CZ 4.38Å; M987-F1016 HydrophobicContact SD-CE2 4.4Å; M987-L1019 HydrophobicContact CB-CD2 3.87Å; M987-L1019 HydrophobicContact CG-CD2 3.79Å; M987-F1039 HydrophobicContact CE-CE1 3.61Å; M987-F1039 HydrophobicContact CE-CZ 4.38Å
988N74.6Confident72.5Confident56 Ų5640.9 Ų40.930%0.29920%0.198SC..Hα-helixtrans-64.9-40.2174.7-73.1-35.6000111.4S984 V985 V991 F992S984-N988 VanDerWaalsContact O-CB 3.27Å; S984-N988 WeakPolarHBondContact O-CB 3.5Å; S984-N988 PolarHBondContact O-N 2.89Å; S984-N988 PolarHBondContact O-ND2 3.35Å; S984-N988 PolarHBondContact OG-ND2 2.9Å; V985-N988 PolarHBondContact O-N 3.38Å; N988-V991 PolarHBondContact O-N 3.36Å; N988-F992 HydrophobicContact CB-CD2 4.18Å; N988-F992 WeakPolarHBondContact O-CA 3.23Å; N988-F992 WeakPolarHBondContact O-CB 3.5Å; N988-F992 WeakPolarHBondContact O-CD2 3.35Å; N988-F992 PolarHBondContact O-N 3.33Å; N988-F992 WeakPolarHBondContact OD1-CE2 3.49Å
989T71.5Confident72.5Confident13 Ų1347.7 Ų47.78%0.0822%0.222CC..Hα-helixtrans-60.5-45.9173-68.90000111.1V985 L986 M987 E993 C995V985-T989 WeakPolarHBondContact O-CB 3.5Å; V985-T989 PolarHBondContact O-N 3.14Å; V985-T989 PolarHBondContact O-OG1 3.04Å; L986-T989 PolarHBondContact O-N 3.13Å; M987-T989 VanDerWaalsContact C-N 3.34Å; T989-E993 WeakPolarHBondContact CA-OE2 3.4Å; T989-E993 VanDerWaalsContact CB-OE2 3.27Å; T989-E993 WeakPolarHBondContact CB-OE2 3.49Å; T989-E993 HydrophobicContact CG2-CB 4.34Å; T989-E993 WeakPolarHBondContact CG2-OE2 3.33Å; T989-E993 CarbonylContact O-C 3.58Å; T989-E993 WeakPolarHBondContact O-CA 3.36Å; T989-E993 WeakPolarHBondContact O-CB 3.01Å; T989-E993 PolarHBondContact O-N 3.45Å; T989-E993 PolarHBondContact OG1-OE2 3.33Å; T989-C995 VanDerWaalsContact C-SG 3.55Å; T989-C995 WeakPolarHBondContact CG2-SG 3.15Å; T989-C995 PolarHBondContact O-SG 3.13Å
990I73.1Confident72.6Confident5 Ų548.1 Ų48.13%0.02623%0.226CC..Hα-helixtrans-66.4-42178.3-70.7158000113.3L986 M987 V1001 L1005 L1062 F1065L986-I990 WeakPolarHBondContact O-CD1 3.35Å; L986-I990 WeakPolarHBondContact O-CG1 3.27Å; L986-I990 PolarHBondContact O-N 3.14Å; M987-I990 PolarHBondContact O-N 3.15Å; I990-V1001 HydrophobicContact CD1-CG1 3.52Å; I990-V1001 HydrophobicContact CG1-CG1 3.69Å; I990-L1005 HydrophobicContact CD1-CD2 3.33Å; I990-L1062 HydrophobicContact CD1-CD1 3.97Å; I990-L1062 HydrophobicContact CD1-CD2 3.99Å; I990-L1062 HydrophobicContact CG1-CD2 4.41Å; I990-L1062 HydrophobicContact CG2-CD1 3.94Å; I990-L1062 HydrophobicContact CG2-CG 4.37Å; I990-F1065 HydrophobicContact CG2-CD1 4.34Å; I990-F1065 HydrophobicContact CG2-CE1 4.32Å
991V67.8Low72.6Confident26 Ų2645.9 Ų45.916%0.15822%0.216CC..Hα-helixtrans-81.6-34.5-172.8174.70000111.6M987 N988 F1065 V1069M987-V991 WeakPolarHBondContact O-CB 3.42Å; M987-V991 VanDerWaalsContact O-CG2 3.22Å; M987-V991 WeakPolarHBondContact O-CG2 3.38Å; M987-V991 PolarHBondContact O-N 2.85Å; N988-V991 PolarHBondContact O-N 3.36Å; V991-F1065 HydrophobicContact CG2-CE1 4.08Å; V991-F1065 HydrophobicContact CG2-CZ 4.39Å; V991-V1069 HydrophobicContact CG1-CG1 4.21Å
992F62.4Low72.6Confident65 Ų6540.6 Ų40.629%0.28519%0.191SC..Hα-helixtrans-119.7-14.2-170.2-53.1-71.3000115A171 N988 L1023A171-F992 HydrophobicContact CB-CB 3.57Å; A171-F992 VanDerWaalsContact CB-O 3.23Å; A171-F992 WeakPolarHBondContact CB-O 3.42Å; N988-F992 HydrophobicContact CB-CD2 4.18Å; N988-F992 WeakPolarHBondContact O-CA 3.23Å; N988-F992 WeakPolarHBondContact O-CB 3.5Å; N988-F992 WeakPolarHBondContact O-CD2 3.35Å; N988-F992 PolarHBondContact O-N 3.33Å; N988-F992 WeakPolarHBondContact OD1-CE2 3.49Å; F992-L1023 HydrophobicContact CE2-CD2 4.08Å; F992-L1023 HydrophobicContact CZ-CD2 4.2Å
993E61.3Low72.6Confident42 Ų4244 Ų4420%0.19620%0.204CC..SBendtrans-108.6155.7179.2-58.1178.7157.600112.9A171 T989 C995A171-E993 HydrophobicContact CB-CG 3.61Å; T989-E993 WeakPolarHBondContact CA-OE2 3.4Å; T989-E993 VanDerWaalsContact CB-OE2 3.27Å; T989-E993 WeakPolarHBondContact CB-OE2 3.49Å; T989-E993 HydrophobicContact CG2-CB 4.34Å; T989-E993 WeakPolarHBondContact CG2-OE2 3.33Å; T989-E993 CarbonylContact O-C 3.58Å; T989-E993 WeakPolarHBondContact O-CA 3.36Å; T989-E993 WeakPolarHBondContact O-CB 3.01Å; T989-E993 PolarHBondContact O-N 3.45Å; T989-E993 PolarHBondContact OG1-OE2 3.33Å; E993-C995 VanDerWaalsContact C-N 3.33Å; E993-C995 PolarHBondContact O-N 3.22Å
994D56.4Low72.8Confident97 Ų9744 Ų4452%0.51920%0.204SC..  trans-75.386166.7-77.4-45.1000111.1R174 R996 R1066R174-D994 IonicContact NH1-OD2 2.67Å; R174-D994 PolarHBondContact NH1-OD2 3.31Å; D994-R996 PolarHBondContact O-N 3.42Å; D994-R1066 IonicContact OD1-NH2 2.98Å; D994-R1066 PolarHBondContact OD1-NH2 3.06Å
995C59.5Low72.9Confident15 Ų1542.6 Ų42.610%0.10119%0.194CC..  trans-60.797.1173.1-68.10000111.1T989 E993 N997 R1066T989-C995 VanDerWaalsContact C-SG 3.55Å; T989-C995 WeakPolarHBondContact CG2-SG 3.15Å; T989-C995 PolarHBondContact O-SG 3.13Å; E993-C995 VanDerWaalsContact C-N 3.33Å; E993-C995 PolarHBondContact O-N 3.22Å; C995-N997 VanDerWaalsContact C-N 3.27Å; C995-R1066 PolarHBondContact O-NH1 3.31Å
996R58.2Low73.1Confident213 Ų21341.4 Ų41.480%0.80419%0.187SC*.THydrogen-bonded Turntrans-69.1-28.4167.8-63.9-175.8-178.3-175.11.1111.5T927 D994T927-R996 HydrophobicContact CG2-CB 4.18Å; D994-R996 PolarHBondContact O-N 3.42Å
997N66.2Low73.2Confident35 Ų3541.3 Ų41.319%0.18719%0.186CC..THydrogen-bonded Turntrans-105.747.3-177.4-67.3-9.9000113.1T927 C995 W999 S1000 V1001T927-N997 WeakPolarHBondContact CA-ND2 3.28Å; T927-N997 PolarHBondContact O-ND2 3.47Å; C995-N997 VanDerWaalsContact C-N 3.27Å; N997-W999 PolarHBondContact O-N 3.43Å; N997-S1000 PolarHBondContact O-N 3.06Å; N997-S1000 VanDerWaalsContact O-N 3.13Å; N997-V1001 PolarHBondContact O-N 3.45Å; N997-V1001 VanDerWaalsContact O-N 3.16Å
998Q70Confident73.3Confident47 Ų4741.2 Ų41.222%0.2219%0.186CC..Hα-helixtrans-56-39.3-174-172.5-172.1-28.600113.3S1000 V1001 S1002 L1062 S1063Q998-S1000 PolarHBondContact O-N 3.21Å; Q998-V1001 PolarHBondContact O-N 3.08Å; Q998-S1002 PolarHBondContact O-N 2.9Å; Q998-S1002 VanDerWaalsContact O-N 3.14Å; Q998-L1062 HydrophobicContact CG-CD2 4.22Å; Q998-S1063 VanDerWaalsContact NE2-N 3.13Å; Q998-S1063 PolarHBondContact NE2-OG 2.86Å
999W78Confident73.7Confident156 Ų15638.8 Ų38.859%0.59117%0.173SC*.Hα-helixtrans-66.8-35.9-179-173.336.1000113.1N997 S1002N997-W999 PolarHBondContact O-N 3.43Å; W999-S1002 PolarHBondContact O-OG 3.45Å; W999-S1002 VanDerWaalsContact O-OG 3.07Å
1000S77.6Confident74.2Confident21 Ų2139.1 Ų39.115%0.14717%0.174CC..Hα-helixtrans-73.3-39.3178.6-50.10000111.1S931 C934 N997 Q998 P1004S931-S1000 WeakPolarHBondContact OG-CB 3.2Å; S931-S1000 PolarHBondContact OG-OG 2.66Å; C934-S1000 VanDerWaalsContact CB-O 3.3Å; C934-S1000 WeakPolarHBondContact CB-O 3.42Å; N997-S1000 PolarHBondContact O-N 3.06Å; N997-S1000 VanDerWaalsContact O-N 3.13Å; Q998-S1000 PolarHBondContact O-N 3.21Å; S1000-P1004 WeakPolarHBondContact O-CD 3.22Å
1001V81.8Confident74.4Confident4 Ų440.7 Ų40.72%0.02418%0.182CC..Hα-helixtrans-71.6-34.3-178.2171.80000113.1L986 I990 N997 Q998 R1003 P1004 L1005L986-V1001 HydrophobicContact CB-CG1 4.41Å; L986-V1001 HydrophobicContact CD2-CG1 4.06Å; I990-V1001 HydrophobicContact CD1-CG1 3.52Å; I990-V1001 HydrophobicContact CG1-CG1 3.69Å; N997-V1001 PolarHBondContact O-N 3.45Å; N997-V1001 VanDerWaalsContact O-N 3.16Å; Q998-V1001 PolarHBondContact O-N 3.08Å; V1001-R1003 VanDerWaalsContact C-N 3.33Å; V1001-R1003 PolarHBondContact O-N 3.01Å; V1001-P1004 WeakPolarHBondContact O-CD 3.47Å; V1001-P1004 WeakPolarHBondContact O-CG 3.38Å; V1001-L1005 WeakPolarHBondContact O-CB 3.29Å; V1001-L1005 PolarHBondContact O-N 3.17Å
1002S82Confident74.9Confident0 Ų041.4 Ų41.40%019%0.185CC..Hα-helixtrans-63.8-36.4-175.965.10000113.4Q998 W999 L1006 F1058 T1059Q998-S1002 PolarHBondContact O-N 2.9Å; Q998-S1002 VanDerWaalsContact O-N 3.14Å; W999-S1002 PolarHBondContact O-OG 3.45Å; W999-S1002 VanDerWaalsContact O-OG 3.07Å; S1002-L1006 PolarHBondContact O-N 3.06Å; S1002-L1006 VanDerWaalsContact O-N 3.13Å; S1002-F1058 WeakPolarHBondContact O-CD1 3.02Å; S1002-F1058 VanDerWaalsContact O-CE1 3.29Å; S1002-F1058 WeakPolarHBondContact O-CE1 3.46Å; S1002-T1059 WeakPolarHBondContact CB-OG1 3.49Å; S1002-T1059 PolarHBondContact OG-OG1 3.19Å
1003R82.8Confident75.6Confident71 Ų7142.6 Ų42.627%0.26819%0.192SC..Hα-helixtrans-65.7-56.5-175-67.3179.2166-163-4.6113.9D938 V1001 L1005 L1006 G1007D938-R1003 HydrophobicContact CB-CB 4.37Å; V1001-R1003 VanDerWaalsContact C-N 3.33Å; V1001-R1003 PolarHBondContact O-N 3.01Å; R1003-L1005 VanDerWaalsContact C-N 3.28Å; R1003-L1005 PolarHBondContact O-N 2.87Å; R1003-L1006 PolarHBondContact O-N 3.36Å; R1003-G1007 PolarHBondContact O-N 3.44Å
1004P84.6Confident76.5Confident0 Ų049 Ų490%022%0.219CC..Hα-helixtrans-64.7-33.7176.626.2-34.4000111.9C934 L937 D938 L986 S1000 V1001 G1007 L1008C934-P1004 HydrophobicContact CB-CG 3.99Å; C934-P1004 WeakPolarHBondContact O-CG 3.21Å; L937-P1004 HydrophobicContact CB-CB 4.01Å; L937-P1004 HydrophobicContact CD2-CB 3.89Å; L937-P1004 HydrophobicContact CG-CB 3.78Å; D938-P1004 HydrophobicContact CB-CB 4.16Å; L986-P1004 HydrophobicContact CD1-CB 4.28Å; L986-P1004 HydrophobicContact CD1-CG 4.03Å; S1000-P1004 WeakPolarHBondContact O-CD 3.22Å; V1001-P1004 WeakPolarHBondContact O-CD 3.47Å; V1001-P1004 WeakPolarHBondContact O-CG 3.38Å; P1004-G1007 PolarHBondContact O-N 3.36Å; P1004-L1008 WeakPolarHBondContact O-CG 3.5Å; P1004-L1008 PolarHBondContact O-N 3.5Å
1005L83.9Confident77.6Confident0 Ų046.7 Ų46.70%020%0.203CC..Hα-helixtrans-61.4-46.7178.9177.363.7000111.8M983 L986 M987 I990 V1001 R1003 G1007 L1008 I1009 F1058 L1062M983-L1005 HydrophobicContact CG-CD1 4.08Å; L986-L1005 HydrophobicContact CB-CD1 4.46Å; L986-L1005 HydrophobicContact CD1-CB 4.29Å; M987-L1005 HydrophobicContact CG-CD1 3.83Å; M987-L1005 HydrophobicContact SD-CD1 3.66Å; M987-L1005 HydrophobicContact SD-CD2 3.44Å; M987-L1005 WeakPolarHBondContact SD-CD2 3.45Å; M987-L1005 HydrophobicContact SD-CG 4.16Å; I990-L1005 HydrophobicContact CD1-CD2 3.33Å; V1001-L1005 WeakPolarHBondContact O-CB 3.29Å; V1001-L1005 PolarHBondContact O-N 3.17Å; R1003-L1005 VanDerWaalsContact C-N 3.28Å; R1003-L1005 PolarHBondContact O-N 2.87Å; L1005-G1007 VanDerWaalsContact C-N 3.26Å; L1005-G1007 PolarHBondContact O-N 3.21Å; L1005-L1008 PolarHBondContact O-N 2.92Å; L1005-L1008 VanDerWaalsContact O-N 3.17Å; L1005-I1009 HydrophobicContact CD1-CD1 4.01Å; L1005-I1009 HydrophobicContact CD1-CG1 4.08Å; L1005-I1009 HydrophobicContact CD2-CD1 4.38Å; L1005-I1009 HydrophobicContact CG-CD1 3.8Å; L1005-I1009 HydrophobicContact CG-CG1 4.31Å; L1005-I1009 VanDerWaalsContact O-CG1 3.26Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.27Å; L1005-I1009 PolarHBondContact O-N 3.17Å; L1005-F1058 HydrophobicContact CB-CE1 4.39Å; L1005-F1058 HydrophobicContact CD2-CE1 4.13Å; L1005-F1058 HydrophobicContact CD2-CZ 3.95Å; L1005-F1058 HydrophobicContact CG-CE1 4.29Å; L1005-F1058 HydrophobicContact CG-CZ 4.17Å; L1005-L1062 HydrophobicContact CD2-CD1 4.35Å
1006L84.1Confident78.6Confident0 Ų046.6 Ų46.60%020%0.201CC..Hα-helixtrans-55.9-45176.8176.561000111.2S1002 R1003 I1009 L1010 V1046 L1050 R1055 F1058S1002-L1006 PolarHBondContact O-N 3.06Å; S1002-L1006 VanDerWaalsContact O-N 3.13Å; R1003-L1006 PolarHBondContact O-N 3.36Å; L1006-I1009 PolarHBondContact O-N 3.22Å; L1006-L1010 HydrophobicContact CD1-CD1 4.29Å; L1006-L1010 HydrophobicContact CD1-CG 4.34Å; L1006-L1010 HydrophobicContact CG-CD1 4.31Å; L1006-L1010 WeakPolarHBondContact O-CG 3.29Å; L1006-L1010 PolarHBondContact O-N 3.36Å; L1006-L1010 VanDerWaalsContact O-N 3.09Å; L1006-V1046 HydrophobicContact CD1-CG1 3.53Å; L1006-L1050 HydrophobicContact CD2-CD2 4.29Å; L1006-L1050 HydrophobicContact CG-CD2 4.17Å; L1006-R1055 HydrophobicContact CD2-CG 3.95Å; L1006-F1058 HydrophobicContact CB-CD1 3.76Å; L1006-F1058 HydrophobicContact CB-CE1 3.99Å; L1006-F1058 HydrophobicContact CB-CG 4.13Å; L1006-F1058 HydrophobicContact CD1-CB 4.37Å; L1006-F1058 HydrophobicContact CD1-CD2 4.02Å; L1006-F1058 HydrophobicContact CD1-CE2 4.42Å; L1006-F1058 HydrophobicContact CD1-CG 4.05Å; L1006-F1058 HydrophobicContact CD2-CB 4.05Å; L1006-F1058 HydrophobicContact CD2-CG 4.36Å; L1006-F1058 HydrophobicContact CG-CG 4.4Å
1007G81.6Confident79.7Confident0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-66.4-37.6178.800000113.5R1003 P1004 L1005 L1010 L1011R1003-G1007 PolarHBondContact O-N 3.44Å; P1004-G1007 PolarHBondContact O-N 3.36Å; L1005-G1007 VanDerWaalsContact C-N 3.26Å; L1005-G1007 PolarHBondContact O-N 3.21Å; G1007-L1010 PolarHBondContact O-N 3.29Å; G1007-L1011 VanDerWaalsContact O-CG 3.32Å; G1007-L1011 WeakPolarHBondContact O-CG 3.46Å; G1007-L1011 PolarHBondContact O-N 2.87Å; G1007-L1011 VanDerWaalsContact O-N 3.08Å
1008L82.6Confident80.6Confident0 Ų044.1 Ų44.10%021%0.206CC..Hα-helixtrans-66-39.7174.6-72.5174.6000112.3L937 V941 L979 M982 M983 L986 P1004 L1005 L1011 N1012L937-L1008 HydrophobicContact CD2-CD1 4.08Å; V941-L1008 HydrophobicContact CG2-CD2 3.77Å; V941-L1008 HydrophobicContact CG2-CG 4.15Å; L979-L1008 HydrophobicContact CB-CD2 4.41Å; L979-L1008 HydrophobicContact CD2-CD2 3.45Å; L979-L1008 VanDerWaalsContact CD2-CD2 3.45Å; L979-L1008 HydrophobicContact CG-CD2 4.49Å; M982-L1008 HydrophobicContact CB-CD1 4.34Å; M983-L1008 HydrophobicContact CB-CB 4.38Å; M983-L1008 HydrophobicContact CB-CD1 4.09Å; M983-L1008 HydrophobicContact CG-CB 4.18Å; M983-L1008 HydrophobicContact SD-CB 4.41Å; L986-L1008 HydrophobicContact CD1-CD1 4.04Å; P1004-L1008 WeakPolarHBondContact O-CG 3.5Å; P1004-L1008 PolarHBondContact O-N 3.5Å; L1005-L1008 PolarHBondContact O-N 2.92Å; L1005-L1008 VanDerWaalsContact O-N 3.17Å; L1008-L1011 PolarHBondContact O-N 3.4Å; L1008-N1012 PolarHBondContact O-N 3.43Å
1009I82.7Confident80.9Confident4 Ų442.6 Ų42.62%0.02120%0.199CC..Hα-helixtrans-60.8-46.4176.3-68.6169.6000110.2M983 L1005 L1006 L1011 N1012 E1013 F1016 M1043 F1058M983-I1009 HydrophobicContact SD-CG1 4.49Å; L1005-I1009 HydrophobicContact CD1-CD1 4.01Å; L1005-I1009 HydrophobicContact CD1-CG1 4.08Å; L1005-I1009 HydrophobicContact CD2-CD1 4.38Å; L1005-I1009 HydrophobicContact CG-CD1 3.8Å; L1005-I1009 HydrophobicContact CG-CG1 4.31Å; L1005-I1009 VanDerWaalsContact O-CG1 3.26Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.27Å; L1005-I1009 PolarHBondContact O-N 3.17Å; L1006-I1009 PolarHBondContact O-N 3.22Å; I1009-L1011 VanDerWaalsContact C-N 3.31Å; I1009-L1011 PolarHBondContact O-N 3.02Å; I1009-N1012 CarbonylContact O-C 3.6Å; I1009-N1012 PolarHBondContact O-N 3.03Å; I1009-E1013 WeakPolarHBondContact O-CA 3.49Å; I1009-E1013 WeakPolarHBondContact O-CG 3.37Å; I1009-E1013 PolarHBondContact O-N 3.38Å; I1009-E1013 VanDerWaalsContact O-N 3.16Å; I1009-F1016 HydrophobicContact CD1-CD2 4.03Å; I1009-F1016 HydrophobicContact CD1-CE2 3.6Å; I1009-F1016 HydrophobicContact CD1-CZ 3.96Å; I1009-F1016 HydrophobicContact CG1-CD2 3.63Å; I1009-F1016 HydrophobicContact CG1-CE2 3.77Å; I1009-F1016 HydrophobicContact CG1-CG 4.08Å; I1009-F1016 HydrophobicContact CG1-CZ 4.37Å; I1009-F1016 HydrophobicContact CG2-CD1 3.99Å; I1009-F1016 HydrophobicContact CG2-CD2 4.42Å; I1009-F1016 HydrophobicContact CG2-CE1 4.26Å; I1009-F1016 HydrophobicContact CG2-CG 4.06Å; I1009-M1043 HydrophobicContact CD1-SD 4.46Å; I1009-M1043 HydrophobicContact CG2-CE 3.92Å; I1009-M1043 HydrophobicContact CG2-SD 4.24Å; I1009-F1058 HydrophobicContact CD1-CE2 4.19Å; I1009-F1058 HydrophobicContact CD1-CZ 3.87Å
1010L80.8Confident81.1Confident20 Ų2038.7 Ų38.711%0.10518%0.184CC..Hα-helixtrans-67.7-29.4179.8-68177.2000113F945 L1006 G1007 Q1048 L1050F945-L1010 HydrophobicContact CD2-CB 4.32Å; F945-L1010 HydrophobicContact CE2-CB 3.99Å; F945-L1010 HydrophobicContact CE2-CD1 4.18Å; F945-L1010 HydrophobicContact CZ-CD1 4.42Å; L1006-L1010 HydrophobicContact CD1-CD1 4.29Å; L1006-L1010 HydrophobicContact CD1-CG 4.34Å; L1006-L1010 HydrophobicContact CG-CD1 4.31Å; L1006-L1010 WeakPolarHBondContact O-CG 3.29Å; L1006-L1010 PolarHBondContact O-N 3.36Å; L1006-L1010 VanDerWaalsContact O-N 3.09Å; G1007-L1010 PolarHBondContact O-N 3.29Å; L1010-Q1048 HydrophobicContact CD2-CG 4.24Å; L1010-L1050 HydrophobicContact CD1-CD2 3.88Å; L1010-L1050 HydrophobicContact CD1-CG 4.36Å
1011L77.7Confident81.3Confident38 Ų3839.8 Ų39.820%0.19919%0.194CC..Hα-helixtrans-78.3-34.9176-71.7177.7000112.7V941 L944 F945 I948 G1007 L1008 I1009V941-L1011 HydrophobicContact CB-CD1 4.37Å; V941-L1011 HydrophobicContact CG1-CD1 3.74Å; V941-L1011 HydrophobicContact CG1-CG 4.46Å; V941-L1011 HydrophobicContact CG2-CD1 4.38Å; L944-L1011 HydrophobicContact CB-CD1 4.19Å; L944-L1011 HydrophobicContact CD1-CD1 4.36Å; F945-L1011 HydrophobicContact CB-CD2 4.37Å; F945-L1011 HydrophobicContact CD2-CD2 4.26Å; I948-L1011 HydrophobicContact CD1-CD2 3.56Å; G1007-L1011 VanDerWaalsContact O-CG 3.32Å; G1007-L1011 WeakPolarHBondContact O-CG 3.46Å; G1007-L1011 PolarHBondContact O-N 2.87Å; G1007-L1011 VanDerWaalsContact O-N 3.08Å; L1008-L1011 PolarHBondContact O-N 3.4Å; I1009-L1011 VanDerWaalsContact C-N 3.31Å; I1009-L1011 PolarHBondContact O-N 3.02Å
1012N78.1Confident81.1Confident41 Ų4143.2 Ų43.222%0.21922%0.218CC..  trans-12854.4-172.1-72.9-33.7000112.8L1008 I1009 K1014 Y1015 F1016L1008-N1012 PolarHBondContact O-N 3.43Å; I1009-N1012 CarbonylContact O-C 3.6Å; I1009-N1012 PolarHBondContact O-N 3.03Å; N1012-K1014 PolarHBondContact O-N 3.43Å; N1012-Y1015 PolarHBondContact O-N 3Å; N1012-F1016 PolarHBondContact O-N 3Å
1013E78.4Confident80.7Confident91 Ų9144.3 Ų44.343%0.42522%0.224SC..Hα-helixtrans-56.5-35.3-177.3-67.5-175168.300113.6I1009 F1016 S1017 Q1048I1009-E1013 WeakPolarHBondContact O-CA 3.49Å; I1009-E1013 WeakPolarHBondContact O-CG 3.37Å; I1009-E1013 PolarHBondContact O-N 3.38Å; I1009-E1013 VanDerWaalsContact O-N 3.16Å; E1013-F1016 PolarHBondContact O-N 3.27Å; E1013-S1017 PolarHBondContact O-N 3.34Å; E1013-S1017 PolarHBondContact O-OG 3.12Å; E1013-Q1048 PolarHBondContact OE1-NE2 2.97Å; E1013-Q1048 VanDerWaalsContact OE1-NE2 3.11Å
1014K79.6Confident80.5Confident176 Ų17641.8 Ų41.877%0.76522%0.215SC*.Hα-helixtrans-63.6-52178.1-67.6-176.4179.7179.70111.7N1012 F1016 S1017 E1018N1012-K1014 PolarHBondContact O-N 3.43Å; K1014-F1016 VanDerWaalsContact C-N 3.32Å; K1014-F1016 PolarHBondContact O-N 2.76Å; K1014-S1017 WeakPolarHBondContact O-CB 3.04Å; K1014-S1017 PolarHBondContact O-N 3.09Å; K1014-S1017 VanDerWaalsContact O-N 3.15Å; K1014-E1018 PolarHBondContact O-N 2.88Å
1015Y79.4Confident80.2Confident48 Ų4847 Ų4719%0.18824%0.244CC..Hα-helixtrans-67.5-33.6179.3-177.7-109000111.7Q980 M983 N1012 S1017 E1018 L1019Q980-Y1015 VanDerWaalsContact CA-CE1 3.46Å; Q980-Y1015 HydrophobicContact CB-CD1 3.71Å; Q980-Y1015 HydrophobicContact CB-CD2 4.33Å; Q980-Y1015 HydrophobicContact CB-CE1 3.42Å; Q980-Y1015 VanDerWaalsContact CB-CE1 3.42Å; Q980-Y1015 HydrophobicContact CB-CE2 4.02Å; Q980-Y1015 HydrophobicContact CB-CG 4.19Å; Q980-Y1015 HydrophobicContact CG-CD1 3.5Å; Q980-Y1015 VanDerWaalsContact CG-CD1 3.5Å; Q980-Y1015 HydrophobicContact CG-CD2 3.86Å; Q980-Y1015 HydrophobicContact CG-CE1 3.78Å; Q980-Y1015 HydrophobicContact CG-CE2 4.06Å; Q980-Y1015 HydrophobicContact CG-CG 3.58Å; Q980-Y1015 WeakPolarHBondContact O-CE1 3.43Å; M983-Y1015 HydrophobicContact CE-CD1 3.16Å; M983-Y1015 HydrophobicContact CE-CE1 3.56Å; M983-Y1015 HydrophobicContact CE-CG 4.19Å; M983-Y1015 HydrophobicContact SD-CD1 4.37Å; N1012-Y1015 PolarHBondContact O-N 3Å; Y1015-S1017 VanDerWaalsContact C-N 3.29Å; Y1015-S1017 PolarHBondContact O-N 3.44Å; Y1015-E1018 PolarHBondContact O-N 3.46Å; Y1015-L1019 VanDerWaalsContact O-CB 3.3Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.32Å; Y1015-L1019 PolarHBondContact O-N 2.99Å
1016F80.9Confident79.7Confident14 Ų1450.5 Ų50.56%0.06127%0.268CS..Hα-helixtrans-62.6-38.4172.6178.5-105.6000112.2M983 M987 I1009 N1012 E1013 K1014 L1019 R1020 F1039 L1042M983-F1016 VanDerWaalsContact CE-CA 3.47Å; M983-F1016 HydrophobicContact CE-CB 3.86Å; M983-F1016 HydrophobicContact CE-CD2 4.18Å; M983-F1016 HydrophobicContact SD-CB 4.13Å; M983-F1016 HydrophobicContact SD-CD2 4.3Å; M987-F1016 HydrophobicContact CE-CE2 3.64Å; M987-F1016 HydrophobicContact CE-CZ 4.38Å; M987-F1016 HydrophobicContact SD-CE2 4.4Å; I1009-F1016 HydrophobicContact CD1-CD2 4.03Å; I1009-F1016 HydrophobicContact CD1-CE2 3.6Å; I1009-F1016 HydrophobicContact CD1-CZ 3.96Å; I1009-F1016 HydrophobicContact CG1-CD2 3.63Å; I1009-F1016 HydrophobicContact CG1-CE2 3.77Å; I1009-F1016 HydrophobicContact CG1-CG 4.08Å; I1009-F1016 HydrophobicContact CG1-CZ 4.37Å; I1009-F1016 HydrophobicContact CG2-CD1 3.99Å; I1009-F1016 HydrophobicContact CG2-CD2 4.42Å; I1009-F1016 HydrophobicContact CG2-CE1 4.26Å; I1009-F1016 HydrophobicContact CG2-CG 4.06Å; N1012-F1016 PolarHBondContact O-N 3Å; E1013-F1016 PolarHBondContact O-N 3.27Å; K1014-F1016 VanDerWaalsContact C-N 3.32Å; K1014-F1016 PolarHBondContact O-N 2.76Å; F1016-L1019 PolarHBondContact O-N 3.34Å; F1016-R1020 WeakPolarHBondContact O-CB 3.3Å; F1016-R1020 PolarHBondContact O-N 3.33Å; F1016-F1039 HydrophobicContact CZ-CD1 4.45Å; F1016-L1042 HydrophobicContact CZ-CD2 4.48Å
1017S81.6Confident79.1Confident72 Ų7251.8 Ų51.850%0.50327%0.274SS..Hα-helixtrans-66.3-40.5175.7-58.30000111.8E1013 K1014 Y1015 A1021E1013-S1017 PolarHBondContact O-N 3.34Å; E1013-S1017 PolarHBondContact O-OG 3.12Å; K1014-S1017 WeakPolarHBondContact O-CB 3.04Å; K1014-S1017 PolarHBondContact O-N 3.09Å; K1014-S1017 VanDerWaalsContact O-N 3.15Å; Y1015-S1017 VanDerWaalsContact C-N 3.29Å; Y1015-S1017 PolarHBondContact O-N 3.44Å; S1017-A1021 WeakPolarHBondContact O-CB 3.37Å; S1017-A1021 PolarHBondContact O-N 2.99Å
1018E83.3Confident78.7Confident124 Ų12455.4 Ų55.458%0.57930%0.297SS*.Hα-helixtrans-65.5-45.2174-69.7168.8-17200112.1K1014 Y1015 R1020 A1021 S1022K1014-E1018 PolarHBondContact O-N 2.88Å; Y1015-E1018 PolarHBondContact O-N 3.46Å; E1018-R1020 PolarHBondContact O-N 3.2Å; E1018-A1021 PolarHBondContact O-N 2.85Å; E1018-S1022 WeakPolarHBondContact O-CB 3.44Å; E1018-S1022 PolarHBondContact O-N 3.42Å
1019L77.3Confident78.2Confident14 Ų1462.3 Ų62.37%0.07333%0.333CS..Hα-helixtrans-61.8-44.3176.3-171.381.4000110.7M983 M987 Y1015 F1016 S1022 L1023M983-L1019 HydrophobicContact CE-CB 4.26Å; M983-L1019 HydrophobicContact CE-CD2 3.85Å; M987-L1019 HydrophobicContact CB-CD2 3.87Å; M987-L1019 HydrophobicContact CG-CD2 3.79Å; Y1015-L1019 VanDerWaalsContact O-CB 3.3Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.32Å; Y1015-L1019 PolarHBondContact O-N 2.99Å; F1016-L1019 PolarHBondContact O-N 3.34Å; L1019-S1022 PolarHBondContact O-N 2.92Å; L1019-L1023 HydrophobicContact CD2-CD1 4.39Å; L1019-L1023 HydrophobicContact CG-CD1 4.1Å; L1019-L1023 WeakPolarHBondContact O-CB 3.28Å; L1019-L1023 VanDerWaalsContact O-CG 3.28Å; L1019-L1023 WeakPolarHBondContact O-CG 3.36Å; L1019-L1023 PolarHBondContact O-N 3.04Å
1020R81.8Confident77.4Confident75 Ų7566.3 Ų66.328%0.28337%0.367SS..Hα-helixtrans-59.2-47.4174.3174.2-178.1166.5-169.9-3.9111F1016 E1018 L1023 I1024 A1036 F1039F1016-R1020 WeakPolarHBondContact O-CB 3.3Å; F1016-R1020 PolarHBondContact O-N 3.33Å; E1018-R1020 PolarHBondContact O-N 3.2Å; R1020-L1023 PolarHBondContact O-N 3.5Å; R1020-I1024 HydrophobicContact CG-CD1 3.68Å; R1020-I1024 HydrophobicContact CG-CG1 4.48Å; R1020-I1024 WeakPolarHBondContact O-CB 3.18Å; R1020-I1024 WeakPolarHBondContact O-CG1 3.22Å; R1020-I1024 PolarHBondContact O-N 3.18Å; R1020-A1036 PolarHBondContact NH2-O 3.37Å; R1020-F1039 HydrophobicContact CG-CB 4.25Å; R1020-F1039 HydrophobicContact CG-CD1 4.03Å; R1020-F1039 HydrophobicContact CG-CD2 4.16Å; R1020-F1039 HydrophobicContact CG-CE1 4.4Å; R1020-F1039 HydrophobicContact CG-CG 3.9Å
1021A81.4Confident76.7Confident43 Ų4367.9 Ų67.936%0.35537%0.372SS..Hα-helixtrans-63-43.2178.400000111.5S1017 E1018 I1024 N1025S1017-A1021 WeakPolarHBondContact O-CB 3.37Å; S1017-A1021 PolarHBondContact O-N 2.99Å; E1018-A1021 PolarHBondContact O-N 2.85Å; A1021-I1024 PolarHBondContact O-N 2.96Å; A1021-N1025 WeakPolarHBondContact O-CB 3.22Å; A1021-N1025 PolarHBondContact O-N 3.15Å; A1021-N1025 PolarHBondContact O-ND2 3.25Å
1022S79.3Confident76.6Confident77 Ų7768.3 Ų68.354%0.53837%0.373SS..Hα-helixtrans-60.8-47.2175.7-176.70000112.1E1018 L1019 I1024 N1025 S1026E1018-S1022 WeakPolarHBondContact O-CB 3.44Å; E1018-S1022 PolarHBondContact O-N 3.42Å; L1019-S1022 PolarHBondContact O-N 2.92Å; S1022-I1024 PolarHBondContact O-N 3.34Å; S1022-N1025 PolarHBondContact O-N 3.27Å; S1022-S1026 WeakPolarHBondContact O-CB 3.46Å; S1022-S1026 PolarHBondContact O-N 3.36Å
1023L73Confident76.5Confident22 Ų2273.6 Ų73.612%0.11540%0.396CS..Hα-helixtrans-64.4-40.4178.5-73.1171.8000112F992 L1019 R1020 S1026 F1039F992-L1023 HydrophobicContact CE2-CD2 4.08Å; F992-L1023 HydrophobicContact CZ-CD2 4.2Å; L1019-L1023 HydrophobicContact CD2-CD1 4.39Å; L1019-L1023 HydrophobicContact CG-CD1 4.1Å; L1019-L1023 WeakPolarHBondContact O-CB 3.28Å; L1019-L1023 VanDerWaalsContact O-CG 3.28Å; L1019-L1023 WeakPolarHBondContact O-CG 3.36Å; L1019-L1023 PolarHBondContact O-N 3.04Å; R1020-L1023 PolarHBondContact O-N 3.5Å; L1023-S1026 PolarHBondContact O-OG 3.33Å; L1023-F1039 HydrophobicContact CD1-CZ 4.12Å
1024I78.5Confident76.4Confident18 Ų1872.5 Ų72.59%0.09240%0.395CS..Hα-helixtrans-67.7-48.7176.2-67.8167.9000110.5R1020 A1021 S1022 S1026 Q1027 Q1032 L1035 A1036 F1039R1020-I1024 HydrophobicContact CG-CD1 3.68Å; R1020-I1024 HydrophobicContact CG-CG1 4.48Å; R1020-I1024 WeakPolarHBondContact O-CB 3.18Å; R1020-I1024 WeakPolarHBondContact O-CG1 3.22Å; R1020-I1024 PolarHBondContact O-N 3.18Å; A1021-I1024 PolarHBondContact O-N 2.96Å; S1022-I1024 PolarHBondContact O-N 3.34Å; I1024-S1026 PolarHBondContact O-N 3.05Å; I1024-Q1027 PolarHBondContact O-N 3.42Å; I1024-Q1032 HydrophobicContact CG2-CB 3.77Å; I1024-Q1032 HydrophobicContact CG2-CG 4Å; I1024-Q1032 WeakPolarHBondContact O-CG 3.46Å; I1024-L1035 HydrophobicContact CG1-CB 4.35Å; I1024-A1036 HydrophobicContact CD1-CB 4.07Å; I1024-F1039 HydrophobicContact CD1-CD2 4.13Å; I1024-F1039 HydrophobicContact CG1-CD2 4.16Å; I1024-F1039 HydrophobicContact CG1-CE2 4.23Å
1025N78.7Confident76.2Confident111 Ų11164.6 Ų64.659%0.59436%0.361SS*.Hα-helixtrans-66-24.2-178.2-67.7-15000112.7A1021 S1022 Q1027A1021-N1025 WeakPolarHBondContact O-CB 3.22Å; A1021-N1025 PolarHBondContact O-N 3.15Å; A1021-N1025 PolarHBondContact O-ND2 3.25Å; S1022-N1025 PolarHBondContact O-N 3.27Å; N1025-Q1027 PolarHBondContact O-N 2.96Å
1026S72.9Confident76.2Confident73 Ų7363.1 Ų63.151%0.5136%0.359SS..THydrogen-bonded Turntrans-70.3-9.7173.477.60000114.2S1022 L1023 I1024S1022-S1026 WeakPolarHBondContact O-CB 3.46Å; S1022-S1026 PolarHBondContact O-N 3.36Å; L1023-S1026 PolarHBondContact O-OG 3.33Å; I1024-S1026 PolarHBondContact O-N 3.05Å
1027Q70.5Confident76.1Confident27 Ų2767.6 Ų67.613%0.12638%0.38CS..SBendtrans-106.5154.5-178.6-58.4-52.8-5400112.2I1024 N1025 Q1032 L1035I1024-Q1027 PolarHBondContact O-N 3.42Å; N1025-Q1027 PolarHBondContact O-N 2.96Å; Q1027-Q1032 PolarHBondContact O-NE2 3.4Å; Q1027-L1035 HydrophobicContact CB-CD1 3.76Å; Q1027-L1035 HydrophobicContact CG-CD1 3.54Å
1028P73.3Confident76Confident75 Ų7564.4 Ų64.449%0.48736%0.358SS..  trans-57.2146.9179.1-23.633.2000113.3A1030 R1031 Q1032P1028-A1030 VanDerWaalsContact C-N 3.28Å; P1028-A1030 PolarHBondContact O-N 3.16Å; P1028-A1030 VanDerWaalsContact O-N 3.11Å; P1028-R1031 PolarHBondContact O-N 3.49Å; P1028-Q1032 PolarHBondContact O-N 3.3Å
1029L71.9Confident75.9Confident145 Ų14558.8 Ų58.876%0.75933%0.332SS*.Hα-helixtrans-48.6-42.5-174.3-73.8166000114R1031 Q1032L1029-R1031 PolarHBondContact O-N 3.11Å; L1029-Q1032 PolarHBondContact O-N 2.94Å
1030A66.2Low76Confident88 Ų8865.1 Ų65.173%0.72736%0.355SS*.Hα-helixtrans-62.6-23178.800000114.2P1028P1028-A1030 VanDerWaalsContact C-N 3.28Å; P1028-A1030 PolarHBondContact O-N 3.16Å; P1028-A1030 VanDerWaalsContact O-N 3.11Å
1031R66.6Low76Confident54 Ų5465.3 Ų65.320%0.20436%0.357CS..Hα-helixtrans-99-14.6-177.7-62.9-176177.3174.4-1.4113P1028 L1029 E1033 V1034 L1035 S1075 D1076P1028-R1031 PolarHBondContact O-N 3.49Å; L1029-R1031 PolarHBondContact O-N 3.11Å; R1031-E1033 PolarHBondContact O-N 2.97Å; R1031-V1034 PolarHBondContact O-N 3.32Å; R1031-L1035 HydrophobicContact CB-CD1 4.29Å; R1031-L1035 WeakPolarHBondContact O-CB 3.36Å; R1031-L1035 WeakPolarHBondContact O-CD1 3.37Å; R1031-L1035 WeakPolarHBondContact O-CG 3.14Å; R1031-L1035 PolarHBondContact O-N 2.79Å; R1031-S1075 PolarHBondContact NH2-O 3.08Å; R1031-D1076 IonicContact NH2-OD1 2.82Å
1032Q74.9Confident76Confident47 Ų4763.2 Ų63.222%0.2234%0.34CS..Hα-helixtrans-63.6-40.4-175.7-67-175.1-0.500112.1I1024 Q1027 P1028 L1029 A1036I1024-Q1032 HydrophobicContact CG2-CB 3.77Å; I1024-Q1032 HydrophobicContact CG2-CG 4Å; I1024-Q1032 WeakPolarHBondContact O-CG 3.46Å; Q1027-Q1032 PolarHBondContact O-NE2 3.4Å; P1028-Q1032 PolarHBondContact O-N 3.3Å; L1029-Q1032 PolarHBondContact O-N 2.94Å; Q1032-A1036 VanDerWaalsContact O-CB 3.24Å; Q1032-A1036 WeakPolarHBondContact O-CB 3.21Å; Q1032-A1036 PolarHBondContact O-N 2.68Å
1033E76.6Confident76.2Confident152 Ų15262.4 Ų62.471%0.7133%0.329SS*.Hα-helixtrans-69.3-42.7-179.2-167.7168.8-167.900112.3R1031 A1036 Q1037R1031-E1033 PolarHBondContact O-N 2.97Å; E1033-A1036 PolarHBondContact O-N 3.38Å; E1033-Q1037 PolarHBondContact O-N 3.37Å
1034V76.2Confident76.5Confident67 Ų6767.3 Ų67.341%0.40635%0.351SS..Hα-helixtrans-63.9-44.4176.4-177.80000111R1031 Q1037 C1038 A1072R1031-V1034 PolarHBondContact O-N 3.32Å; V1034-Q1037 WeakPolarHBondContact O-CB 3.44Å; V1034-Q1037 PolarHBondContact O-N 2.49Å; V1034-C1038 PolarHBondContact O-N 3.46Å; V1034-C1038 PolarHBondContact O-SG 3.1Å; V1034-A1072 HydrophobicContact CG1-CB 3.83Å
1035L76.3Confident76.2Confident10 Ų1068 Ų685%0.05236%0.363CS..Hα-helixtrans-64.2-41.4174.9-78.1160.1000111.7I1024 Q1027 R1031 Q1037 C1038 F1039 V1069I1024-L1035 HydrophobicContact CG1-CB 4.35Å; Q1027-L1035 HydrophobicContact CB-CD1 3.76Å; Q1027-L1035 HydrophobicContact CG-CD1 3.54Å; R1031-L1035 HydrophobicContact CB-CD1 4.29Å; R1031-L1035 WeakPolarHBondContact O-CB 3.36Å; R1031-L1035 WeakPolarHBondContact O-CD1 3.37Å; R1031-L1035 WeakPolarHBondContact O-CG 3.14Å; R1031-L1035 PolarHBondContact O-N 2.79Å; L1035-Q1037 PolarHBondContact O-N 2.97Å; L1035-C1038 WeakPolarHBondContact O-CB 3.3Å; L1035-C1038 PolarHBondContact O-N 3.13Å; L1035-C1038 VanDerWaalsContact O-N 3.14Å; L1035-F1039 VanDerWaalsContact O-CD2 3.28Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.16Å; L1035-F1039 PolarHBondContact O-N 3.08Å; L1035-V1069 HydrophobicContact CD2-CG1 4.21Å; L1035-V1069 HydrophobicContact CD2-CG2 4.18Å
1036A78.5Confident76.4Confident18 Ų1863.9 Ų63.915%0.14934%0.342CS..Hα-helixtrans-62.3-30.6175.500000112.7R1020 I1024 Q1032 E1033 R1040R1020-A1036 PolarHBondContact NH2-O 3.37Å; I1024-A1036 HydrophobicContact CD1-CB 4.07Å; Q1032-A1036 VanDerWaalsContact O-CB 3.24Å; Q1032-A1036 WeakPolarHBondContact O-CB 3.21Å; Q1032-A1036 PolarHBondContact O-N 2.68Å; E1033-A1036 PolarHBondContact O-N 3.38Å; A1036-R1040 WeakPolarHBondContact O-CG 3.38Å; A1036-R1040 PolarHBondContact O-N 3.45Å; A1036-R1040 PolarHBondContact O-NE 3.41Å
1037Q79.6Confident76.6Confident107 Ų10766 Ų6650%0.534%0.343SS..Hα-helixtrans-74.1-40.1172.5-165.2176.3900111.9E1033 V1034 L1035 R1040 K1041E1033-Q1037 PolarHBondContact O-N 3.37Å; V1034-Q1037 WeakPolarHBondContact O-CB 3.44Å; V1034-Q1037 PolarHBondContact O-N 2.49Å; L1035-Q1037 PolarHBondContact O-N 2.97Å; Q1037-R1040 WeakPolarHBondContact O-CB 3.49Å; Q1037-R1040 PolarHBondContact O-N 3.43Å; Q1037-R1040 VanDerWaalsContact O-N 3.16Å; Q1037-K1041 PolarHBondContact O-N 2.93Å
1038C79.8Confident76.9Confident5 Ų571.5 Ų71.53%0.03437%0.369CS..Hα-helixtrans-59.6-47.6174.3-64.20000111.6V1034 L1035 R1040 K1041 L1042 F1065 V1069V1034-C1038 PolarHBondContact O-N 3.46Å; V1034-C1038 PolarHBondContact O-SG 3.1Å; L1035-C1038 WeakPolarHBondContact O-CB 3.3Å; L1035-C1038 PolarHBondContact O-N 3.13Å; L1035-C1038 VanDerWaalsContact O-N 3.14Å; C1038-R1040 PolarHBondContact O-N 2.81Å; C1038-K1041 PolarHBondContact O-N 3.47Å; C1038-L1042 PolarHBondContact O-N 3.01Å; C1038-F1065 HydrophobicContact CB-CD2 3.85Å; C1038-F1065 HydrophobicContact CB-CE2 3.91Å; C1038-F1065 WeakPolarHBondContact O-CD2 3.45Å; C1038-V1069 HydrophobicContact CB-CG2 3.86Å
1039F80.4Confident77.1Confident6 Ų670.1 Ų70.13%0.02636%0.358CS..Hα-helixtrans-63.6-27.3176.4-83.8-77.1000113.5M987 F1016 R1020 L1023 I1024 L1035 L1042 F1065M987-F1039 HydrophobicContact CE-CE1 3.61Å; M987-F1039 HydrophobicContact CE-CZ 4.38Å; F1016-F1039 HydrophobicContact CZ-CD1 4.45Å; R1020-F1039 HydrophobicContact CG-CB 4.25Å; R1020-F1039 HydrophobicContact CG-CD1 4.03Å; R1020-F1039 HydrophobicContact CG-CD2 4.16Å; R1020-F1039 HydrophobicContact CG-CE1 4.4Å; R1020-F1039 HydrophobicContact CG-CG 3.9Å; L1023-F1039 HydrophobicContact CD1-CZ 4.12Å; I1024-F1039 HydrophobicContact CD1-CD2 4.13Å; I1024-F1039 HydrophobicContact CG1-CD2 4.16Å; I1024-F1039 HydrophobicContact CG1-CE2 4.23Å; L1035-F1039 VanDerWaalsContact O-CD2 3.28Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.16Å; L1035-F1039 PolarHBondContact O-N 3.08Å; F1039-L1042 HydrophobicContact CD1-CD2 4.47Å; F1039-F1065 AromaticContact CD1-CE2 3.92Å; F1039-F1065 HydrophobicContact CD1-CE2 3.92Å; F1039-F1065 HydrophobicContact CD1-CZ 4.01Å; F1039-F1065 HydrophobicContact CD2-CE2 4.12Å; F1039-F1065 HydrophobicContact CD2-CZ 4.4Å; F1039-F1065 HydrophobicContact CE1-CE2 4.12Å; F1039-F1065 AromaticContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE2-CE2 4.29Å; F1039-F1065 HydrophobicContact CE2-CZ 4.12Å; F1039-F1065 AromaticContact CG-CE2 3.92Å; F1039-F1065 HydrophobicContact CG-CE2 3.92Å; F1039-F1065 HydrophobicContact CG-CZ 4.34Å; F1039-F1065 HydrophobicContact CZ-CE2 4.3Å; F1039-F1065 AromaticContact CZ-CZ 3.78Å; F1039-F1065 HydrophobicContact CZ-CZ 3.78Å
1040R80.3Confident77.5Confident148 Ų14864.4 Ų64.456%0.55833%0.328SS*.Hα-helixtrans-70.6-45.9172.4-82.9-177.3-86.5179.6-4.7111.5A1036 Q1037 C1038 L1042 M1043 E1044A1036-R1040 WeakPolarHBondContact O-CG 3.38Å; A1036-R1040 PolarHBondContact O-N 3.45Å; A1036-R1040 PolarHBondContact O-NE 3.41Å; Q1037-R1040 WeakPolarHBondContact O-CB 3.49Å; Q1037-R1040 PolarHBondContact O-N 3.43Å; Q1037-R1040 VanDerWaalsContact O-N 3.16Å; C1038-R1040 PolarHBondContact O-N 2.81Å; R1040-L1042 PolarHBondContact O-N 2.88Å; R1040-M1043 PolarHBondContact O-N 3.23Å; R1040-E1044 PolarHBondContact O-N 3.45Å
1041K81.8Confident78.1Confident78 Ų7862.6 Ų62.634%0.33931%0.31SS..Hα-helixtrans-59.4-34.1175-70.4174.8172.8175.70112.5Q1037 C1038 M1043 E1044 D1068Q1037-K1041 PolarHBondContact O-N 2.93Å; C1038-K1041 PolarHBondContact O-N 3.47Å; K1041-M1043 VanDerWaalsContact C-N 3.3Å; K1041-M1043 PolarHBondContact O-N 2.96Å; K1041-E1044 VanDerWaalsContact O-CB 3.31Å; K1041-E1044 WeakPolarHBondContact O-CB 3.46Å; K1041-E1044 PolarHBondContact O-N 3.1Å; K1041-D1068 IonicContact NZ-OD2 3.99Å; K1041-D1068 PolarHBondContact NZ-OD2 3.33Å
1042L81.2Confident78.7Confident0 Ų065.9 Ų65.90%033%0.33CS..Hα-helixtrans-57.1-42.5179.1-179.761.6000112.6F1016 C1038 F1039 R1040 F1058 N1061 L1062 F1065F1016-L1042 HydrophobicContact CZ-CD2 4.48Å; C1038-L1042 PolarHBondContact O-N 3.01Å; F1039-L1042 HydrophobicContact CD1-CD2 4.47Å; R1040-L1042 PolarHBondContact O-N 2.88Å; L1042-F1058 HydrophobicContact CD1-CD2 4.39Å; L1042-F1058 HydrophobicContact CD1-CE2 3.76Å; L1042-F1058 HydrophobicContact CD1-CZ 4.09Å; L1042-F1058 HydrophobicContact CD2-CE2 4.43Å; L1042-F1058 HydrophobicContact CG-CE2 3.87Å; L1042-F1058 HydrophobicContact CG-CZ 4.41Å; L1042-N1061 WeakPolarHBondContact O-CB 3.24Å; L1042-N1061 PolarHBondContact O-ND2 2.94Å; L1042-L1062 HydrophobicContact CD1-CB 4.19Å; L1042-L1062 HydrophobicContact CD1-CD1 3.61Å; L1042-F1065 HydrophobicContact CB-CB 4.42Å; L1042-F1065 HydrophobicContact CB-CD2 3.99Å; L1042-F1065 HydrophobicContact CB-CG 4.28Å; L1042-F1065 HydrophobicContact CD1-CB 3.99Å; L1042-F1065 HydrophobicContact CD1-CD1 4.46Å; L1042-F1065 HydrophobicContact CD1-CG 4.14Å; L1042-F1065 HydrophobicContact CD2-CD1 4.48Å; L1042-F1065 HydrophobicContact CD2-CD2 4.4Å; L1042-F1065 HydrophobicContact CD2-CE2 4.44Å; L1042-F1065 HydrophobicContact CD2-CG 4.41Å; L1042-F1065 HydrophobicContact CD2-CZ 4.5Å
1043M82.5Confident78.9Confident59 Ų5972.3 Ų72.329%0.29136%0.357SS..THydrogen-bonded Turntrans-93.77.2-178.7-63.1-60.5-6900113.3I1009 R1040 K1041 G1045 V1046 F1058I1009-M1043 HydrophobicContact CD1-SD 4.46Å; I1009-M1043 HydrophobicContact CG2-CE 3.92Å; I1009-M1043 HydrophobicContact CG2-SD 4.24Å; R1040-M1043 PolarHBondContact O-N 3.23Å; K1041-M1043 VanDerWaalsContact C-N 3.3Å; K1041-M1043 PolarHBondContact O-N 2.96Å; M1043-G1045 PolarHBondContact O-N 3.45Å; M1043-V1046 HydrophobicContact CE-CB 4.43Å; M1043-V1046 HydrophobicContact CE-CG1 4.21Å; M1043-V1046 PolarHBondContact O-N 3.23Å; M1043-F1058 HydrophobicContact SD-CD2 4.46Å; M1043-F1058 HydrophobicContact SD-CE2 3.98Å
1044E80.3Confident79.2Confident125 Ų12565.4 Ų65.458%0.58433%0.325SS*.THydrogen-bonded Turntrans-68.9114.9-174.2-169.7172.5-179.200111.8R1040 K1041 V1046 N1061R1040-E1044 PolarHBondContact O-N 3.45Å; K1041-E1044 VanDerWaalsContact O-CB 3.31Å; K1041-E1044 WeakPolarHBondContact O-CB 3.46Å; K1041-E1044 PolarHBondContact O-N 3.1Å; E1044-V1046 VanDerWaalsContact C-N 3.27Å; E1044-V1046 PolarHBondContact O-N 2.93Å; E1044-N1061 PolarHBondContact O-ND2 3.19Å
1045G72.8Confident79.4Confident34 Ų3463.5 Ų63.535%0.35131%0.311SS..THydrogen-bonded Turntrans70.518.8-178.900000115M1043 R1057M1043-G1045 PolarHBondContact O-N 3.45Å; G1045-R1057 VanDerWaalsContact CA-CZ 3.49Å; G1045-R1057 VanDerWaalsContact O-CD 3.28Å; G1045-R1057 WeakPolarHBondContact O-CD 3.41Å; G1045-R1057 VanDerWaalsContact O-CZ 3.24Å; G1045-R1057 PolarHBondContact O-NE 3.28Å; G1045-R1057 PolarHBondContact O-NH1 2.9Å
1046V81.1Confident79.7Confident24 Ų2465.9 Ų65.915%0.14532%0.324CS..  trans-84.8121.6171.4179.80000109.1L1006 M1043 E1044 N1054 F1058L1006-V1046 HydrophobicContact CD1-CG1 3.53Å; M1043-V1046 HydrophobicContact CE-CB 4.43Å; M1043-V1046 HydrophobicContact CE-CG1 4.21Å; M1043-V1046 PolarHBondContact O-N 3.23Å; E1044-V1046 VanDerWaalsContact C-N 3.27Å; E1044-V1046 PolarHBondContact O-N 2.93Å; V1046-N1054 WeakPolarHBondContact CA-OD1 3.24Å; V1046-F1058 HydrophobicContact CG2-CB 4.3Å; V1046-F1058 HydrophobicContact CG2-CD2 4.03Å
1047E78Confident79.9Confident116 Ų11670.6 Ų70.654%0.54234%0.337SS..  trans-87161.7179.5-64.3176.7177.500111.8N1049 N1054E1047-N1049 WeakPolarHBondContact CB-ND2 3.4Å; E1047-N1049 PolarHBondContact O-N 3.05Å; E1047-N1049 PolarHBondContact OE2-ND2 3.03Å; E1047-N1054 PolarHBondContact N-ND2 2.9Å; E1047-N1054 PolarHBondContact N-OD1 2.88Å; E1047-N1054 PolarHBondContact O-ND2 3.23Å
1048Q75.9Confident80.2Confident144 Ų14465.5 Ų65.567%0.67331%0.314SS*.SBendtrans-77.155.7172.9-71.2-171.6-18.100112L1010 E1013L1010-Q1048 HydrophobicContact CD2-CG 4.24Å; E1013-Q1048 PolarHBondContact OE1-NE2 2.97Å; E1013-Q1048 VanDerWaalsContact OE1-NE2 3.11Å
1049N78.4Confident80.4Confident46 Ų4666.1 Ų66.125%0.24632%0.317CS..SBendtrans-146.6157.7173.66660000111.8E1047 S1051 N1054E1047-N1049 WeakPolarHBondContact CB-ND2 3.4Å; E1047-N1049 PolarHBondContact O-N 3.05Å; E1047-N1049 PolarHBondContact OE2-ND2 3.03Å; N1049-S1051 VanDerWaalsContact OD1-CB 3.28Å; N1049-S1051 WeakPolarHBondContact OD1-CB 3.46Å; N1049-S1051 PolarHBondContact OD1-N 3.38Å; N1049-S1051 PolarHBondContact OD1-OG 3.09Å; N1049-N1054 PolarHBondContact O-ND2 2.71Å; N1049-N1054 WeakPolarHBondContact OD1-CB 3.26Å
1050L79.8Confident80.5Confident25 Ų2572 Ų7213%0.13135%0.345CS..  trans-100.437.7175.9-65.4176.4000112T942 F945 L1006 L1010T942-L1050 HydrophobicContact CG2-CD1 4.42Å; F945-L1050 HydrophobicContact CB-CD1 3.6Å; F945-L1050 HydrophobicContact CD1-CD1 3.77Å; F945-L1050 HydrophobicContact CD1-CG 3.95Å; F945-L1050 HydrophobicContact CD2-CD1 4.41Å; F945-L1050 HydrophobicContact CE1-CG 4.32Å; F945-L1050 HydrophobicContact CG-CD1 3.66Å; F945-L1050 HydrophobicContact CG-CG 4.16Å; L1006-L1050 HydrophobicContact CD2-CD2 4.29Å; L1006-L1050 HydrophobicContact CG-CD2 4.17Å; L1010-L1050 HydrophobicContact CD1-CD2 3.88Å; L1010-L1050 HydrophobicContact CD1-CG 4.36Å
1051S79.4Confident80.7Confident49 Ų4966.4 Ų66.434%0.34333%0.326SS..  trans-68.8152.3175.171.60000111.2N1049 K1053 N1054 R1055N1049-S1051 VanDerWaalsContact OD1-CB 3.28Å; N1049-S1051 WeakPolarHBondContact OD1-CB 3.46Å; N1049-S1051 PolarHBondContact OD1-N 3.38Å; N1049-S1051 PolarHBondContact OD1-OG 3.09Å; S1051-K1053 VanDerWaalsContact C-N 3.27Å; S1051-K1053 PolarHBondContact O-N 3.35Å; S1051-N1054 PolarHBondContact O-N 3.17Å; S1051-N1054 VanDerWaalsContact O-N 3.11Å; S1051-N1054 VanDerWaalsContact OG-CB 3.3Å; S1051-N1054 WeakPolarHBondContact OG-CB 3.41Å; S1051-N1054 PolarHBondContact OG-N 3.29Å; S1051-R1055 WeakPolarHBondContact O-CG 3.22Å; S1051-R1055 PolarHBondContact O-N 3.3Å
1052I78.6Confident80.7Confident123 Ų12362.7 Ų62.763%0.63131%0.31SS*.Hα-helixtrans-57.1-44.2179-61.8171.5000110.4N1054 R1055 D1056I1052-N1054 VanDerWaalsContact C-N 3.32Å; I1052-N1054 PolarHBondContact O-N 2.93Å; I1052-R1055 WeakPolarHBondContact O-CB 3.26Å; I1052-R1055 PolarHBondContact O-N 3.08Å; I1052-D1056 VanDerWaalsContact O-CG 3.25Å; I1052-D1056 PolarHBondContact O-N 3.16Å
1053K79.1Confident80.7Confident182 Ų18265.2 Ų65.279%0.79133%0.328SS*.Hα-helixtrans-58.2-41.9176.7-66.6-175.6177.9-177.50112.6S1051 R1057S1051-K1053 VanDerWaalsContact C-N 3.27Å; S1051-K1053 PolarHBondContact O-N 3.35Å; K1053-R1057 WeakPolarHBondContact O-CB 3.41Å; K1053-R1057 PolarHBondContact O-N 3.09Å
1054N82.7Confident80.6Confident7 Ų764.9 Ų64.94%0.03733%0.329CS..Hα-helixtrans-71.6-37.2179.3-164.240.9000112.2V1046 E1047 N1049 S1051 I1052 R1057 F1058V1046-N1054 WeakPolarHBondContact CA-OD1 3.24Å; E1047-N1054 PolarHBondContact N-ND2 2.9Å; E1047-N1054 PolarHBondContact N-OD1 2.88Å; E1047-N1054 PolarHBondContact O-ND2 3.23Å; N1049-N1054 PolarHBondContact O-ND2 2.71Å; N1049-N1054 WeakPolarHBondContact OD1-CB 3.26Å; S1051-N1054 PolarHBondContact O-N 3.17Å; S1051-N1054 VanDerWaalsContact O-N 3.11Å; S1051-N1054 VanDerWaalsContact OG-CB 3.3Å; S1051-N1054 WeakPolarHBondContact OG-CB 3.41Å; S1051-N1054 PolarHBondContact OG-N 3.29Å; I1052-N1054 VanDerWaalsContact C-N 3.32Å; I1052-N1054 PolarHBondContact O-N 2.93Å; N1054-R1057 PolarHBondContact O-N 3.05Å; N1054-F1058 PolarHBondContact O-N 3.45Å
1055R81.3Confident80.7Confident27 Ų2759 Ų5910%0.10230%0.302CS..Hα-helixtrans-62.8-42172.8-73.7174.8172.1-171-6.9112.5D938 T942 L1006 S1051 I1052 F1058 T1059D938-R1055 IonicContact OD1-CZ 3.18Å; D938-R1055 VanDerWaalsContact OD1-CZ 3.25Å; D938-R1055 IonicContact OD1-NE 2.63Å; D938-R1055 IonicContact OD1-NH1 2.69Å; D938-R1055 IonicContact OD1-NH2 2.85Å; D938-R1055 PolarHBondContact OD1-NH2 3.12Å; D938-R1055 IonicContact OD2-CZ 3.07Å; D938-R1055 IonicContact OD2-NH1 3.63Å; D938-R1055 PolarHBondContact OD2-NH1 3.46Å; D938-R1055 IonicContact OD2-NH2 2.76Å; D938-R1055 PolarHBondContact OD2-NH2 3.09Å; T942-R1055 PolarHBondContact OG1-NH2 3.38Å; L1006-R1055 HydrophobicContact CD2-CG 3.95Å; S1051-R1055 WeakPolarHBondContact O-CG 3.22Å; S1051-R1055 PolarHBondContact O-N 3.3Å; I1052-R1055 WeakPolarHBondContact O-CB 3.26Å; I1052-R1055 PolarHBondContact O-N 3.08Å; R1055-F1058 PolarHBondContact O-N 2.71Å; R1055-T1059 WeakPolarHBondContact O-CB 3.48Å; R1055-T1059 PolarHBondContact O-N 3.4Å; R1055-T1059 PolarHBondContact O-OG1 3.44Å
1056D82.6Confident80.9Confident60 Ų6060.3 Ų60.332%0.32130%0.296SS..Hα-helixtrans-67.8-40.8178.8-66-22.8000110.8I1052 T1059 Q1060I1052-D1056 VanDerWaalsContact O-CG 3.25Å; I1052-D1056 PolarHBondContact O-N 3.16Å; D1056-T1059 WeakPolarHBondContact O-CB 3.4Å; D1056-T1059 PolarHBondContact O-N 3.28Å; D1056-Q1060 WeakPolarHBondContact O-CG 3.4Å; D1056-Q1060 PolarHBondContact O-N 3.26Å
1057R83.1Confident80.6Confident117 Ų11766.5 Ų66.544%0.44232%0.317SS..Hα-helixtrans-61.2-46.6173.3-170.8174.4-174.7168.29.4112.3G1045 K1053 N1054 T1059 Q1060 N1061G1045-R1057 VanDerWaalsContact CA-CZ 3.49Å; G1045-R1057 VanDerWaalsContact O-CD 3.28Å; G1045-R1057 WeakPolarHBondContact O-CD 3.41Å; G1045-R1057 VanDerWaalsContact O-CZ 3.24Å; G1045-R1057 PolarHBondContact O-NE 3.28Å; G1045-R1057 PolarHBondContact O-NH1 2.9Å; K1053-R1057 WeakPolarHBondContact O-CB 3.41Å; K1053-R1057 PolarHBondContact O-N 3.09Å; N1054-R1057 PolarHBondContact O-N 3.05Å; R1057-T1059 VanDerWaalsContact C-N 3.29Å; R1057-T1059 PolarHBondContact O-N 3.08Å; R1057-Q1060 PolarHBondContact O-N 3.39Å; R1057-N1061 PolarHBondContact O-N 3.39Å; R1057-N1061 PolarHBondContact O-OD1 3.35Å
1058F85.3Confident80.5Confident0 Ų062.1 Ų62.10%030%0.297CS..Hα-helixtrans-60.8-38.9174.8-179.4-103.5000112S1002 L1005 L1006 I1009 L1042 M1043 V1046 N1054 R1055 Q1060 N1061 L1062S1002-F1058 WeakPolarHBondContact O-CD1 3.02Å; S1002-F1058 VanDerWaalsContact O-CE1 3.29Å; S1002-F1058 WeakPolarHBondContact O-CE1 3.46Å; L1005-F1058 HydrophobicContact CB-CE1 4.39Å; L1005-F1058 HydrophobicContact CD2-CE1 4.13Å; L1005-F1058 HydrophobicContact CD2-CZ 3.95Å; L1005-F1058 HydrophobicContact CG-CE1 4.29Å; L1005-F1058 HydrophobicContact CG-CZ 4.17Å; L1006-F1058 HydrophobicContact CB-CD1 3.76Å; L1006-F1058 HydrophobicContact CB-CE1 3.99Å; L1006-F1058 HydrophobicContact CB-CG 4.13Å; L1006-F1058 HydrophobicContact CD1-CB 4.37Å; L1006-F1058 HydrophobicContact CD1-CD2 4.02Å; L1006-F1058 HydrophobicContact CD1-CE2 4.42Å; L1006-F1058 HydrophobicContact CD1-CG 4.05Å; L1006-F1058 HydrophobicContact CD2-CB 4.05Å; L1006-F1058 HydrophobicContact CD2-CG 4.36Å; L1006-F1058 HydrophobicContact CG-CG 4.4Å; I1009-F1058 HydrophobicContact CD1-CE2 4.19Å; I1009-F1058 HydrophobicContact CD1-CZ 3.87Å; L1042-F1058 HydrophobicContact CD1-CD2 4.39Å; L1042-F1058 HydrophobicContact CD1-CE2 3.76Å; L1042-F1058 HydrophobicContact CD1-CZ 4.09Å; L1042-F1058 HydrophobicContact CD2-CE2 4.43Å; L1042-F1058 HydrophobicContact CG-CE2 3.87Å; L1042-F1058 HydrophobicContact CG-CZ 4.41Å; M1043-F1058 HydrophobicContact SD-CD2 4.46Å; M1043-F1058 HydrophobicContact SD-CE2 3.98Å; V1046-F1058 HydrophobicContact CG2-CB 4.3Å; V1046-F1058 HydrophobicContact CG2-CD2 4.03Å; N1054-F1058 PolarHBondContact O-N 3.45Å; R1055-F1058 PolarHBondContact O-N 2.71Å; F1058-Q1060 PolarHBondContact O-N 3.4Å; F1058-N1061 PolarHBondContact O-N 3.11Å; F1058-L1062 HydrophobicContact CZ-CD1 4.44Å; F1058-L1062 WeakPolarHBondContact O-CB 3.45Å; F1058-L1062 PolarHBondContact O-N 3.14Å
1059T83.4Confident80.4Confident18 Ų1855.4 Ų55.411%0.1127%0.265CS..Hα-helixtrans-63.3-41.1177.1-55.40000111.7S1002 R1055 D1056 R1057 L1062 S1063S1002-T1059 WeakPolarHBondContact CB-OG1 3.49Å; S1002-T1059 PolarHBondContact OG-OG1 3.19Å; R1055-T1059 WeakPolarHBondContact O-CB 3.48Å; R1055-T1059 PolarHBondContact O-N 3.4Å; R1055-T1059 PolarHBondContact O-OG1 3.44Å; D1056-T1059 WeakPolarHBondContact O-CB 3.4Å; D1056-T1059 PolarHBondContact O-N 3.28Å; R1057-T1059 VanDerWaalsContact C-N 3.29Å; R1057-T1059 PolarHBondContact O-N 3.08Å; T1059-L1062 WeakPolarHBondContact O-CB 3.43Å; T1059-L1062 PolarHBondContact O-N 2.78Å; T1059-S1063 PolarHBondContact O-N 3.31Å; T1059-S1063 VanDerWaalsContact O-N 3.11Å; T1059-S1063 PolarHBondContact O-OG 3.18Å
1060Q82.7Confident79.8Confident130 Ų13054.6 Ų54.661%0.60727%0.265SS*.Hα-helixtrans-63.7-46.4174.2-69.9173.72.800111.5D1056 R1057 F1058 L1062 S1063 V1064D1056-Q1060 WeakPolarHBondContact O-CG 3.4Å; D1056-Q1060 PolarHBondContact O-N 3.26Å; R1057-Q1060 PolarHBondContact O-N 3.39Å; F1058-Q1060 PolarHBondContact O-N 3.4Å; Q1060-L1062 VanDerWaalsContact C-N 3.25Å; Q1060-L1062 PolarHBondContact O-N 3.23Å; Q1060-S1063 WeakPolarHBondContact O-CB 3.5Å; Q1060-S1063 PolarHBondContact O-N 3.11Å; Q1060-S1063 VanDerWaalsContact O-N 3.13Å; Q1060-V1064 PolarHBondContact O-N 3.19Å
1061N84.5Confident79.2Confident30 Ų3059.3 Ų59.316%0.1629%0.287CS..Hα-helixtrans-60.1-37.1175.5-69.1-2.2000111.6L1042 E1044 R1057 F1058 V1064 F1065L1042-N1061 WeakPolarHBondContact O-CB 3.24Å; L1042-N1061 PolarHBondContact O-ND2 2.94Å; E1044-N1061 PolarHBondContact O-ND2 3.19Å; R1057-N1061 PolarHBondContact O-N 3.39Å; R1057-N1061 PolarHBondContact O-OD1 3.35Å; F1058-N1061 PolarHBondContact O-N 3.11Å; N1061-V1064 PolarHBondContact O-N 2.69Å; N1061-F1065 VanDerWaalsContact O-CB 3.26Å; N1061-F1065 WeakPolarHBondContact O-CB 3.42Å; N1061-F1065 PolarHBondContact O-N 2.98Å
1062L82.8Confident78.6Confident1 Ų157.4 Ų57.41%0.00527%0.274CS..Hα-helixtrans-65-36.7176.4-165.875.3000112.2I990 Q998 L1005 L1042 F1058 T1059 Q1060 F1065 R1066I990-L1062 HydrophobicContact CD1-CD1 3.97Å; I990-L1062 HydrophobicContact CD1-CD2 3.99Å; I990-L1062 HydrophobicContact CG1-CD2 4.41Å; I990-L1062 HydrophobicContact CG2-CD1 3.94Å; I990-L1062 HydrophobicContact CG2-CG 4.37Å; Q998-L1062 HydrophobicContact CG-CD2 4.22Å; L1005-L1062 HydrophobicContact CD2-CD1 4.35Å; L1042-L1062 HydrophobicContact CD1-CB 4.19Å; L1042-L1062 HydrophobicContact CD1-CD1 3.61Å; F1058-L1062 HydrophobicContact CZ-CD1 4.44Å; F1058-L1062 WeakPolarHBondContact O-CB 3.45Å; F1058-L1062 PolarHBondContact O-N 3.14Å; T1059-L1062 WeakPolarHBondContact O-CB 3.43Å; T1059-L1062 PolarHBondContact O-N 2.78Å; Q1060-L1062 VanDerWaalsContact C-N 3.25Å; Q1060-L1062 PolarHBondContact O-N 3.23Å; L1062-F1065 HydrophobicContact CD1-CD1 4.36Å; L1062-F1065 PolarHBondContact O-N 3.37Å; L1062-R1066 WeakPolarHBondContact O-CB 3.14Å; L1062-R1066 PolarHBondContact O-N 3.02Å
1063S80.1Confident77.9Confident53 Ų5353.9 Ų53.937%0.37126%0.256SS..Hα-helixtrans-61.1-46.8174.3-57.50000111.2Q998 T1059 Q1060 R1067Q998-S1063 VanDerWaalsContact NE2-N 3.13Å; Q998-S1063 PolarHBondContact NE2-OG 2.86Å; T1059-S1063 PolarHBondContact O-N 3.31Å; T1059-S1063 VanDerWaalsContact O-N 3.11Å; T1059-S1063 PolarHBondContact O-OG 3.18Å; Q1060-S1063 WeakPolarHBondContact O-CB 3.5Å; Q1060-S1063 PolarHBondContact O-N 3.11Å; Q1060-S1063 VanDerWaalsContact O-N 3.13Å; S1063-R1067 PolarHBondContact O-N 2.74Å; S1063-R1067 VanDerWaalsContact O-N 3.16Å
1064V81.5Confident76.7Confident52 Ų5255.1 Ų55.132%0.31526%0.256SS..Hα-helixtrans-66.1-46.6178.4176.70000109.9Q1060 N1061 R1066 R1067 D1068Q1060-V1064 PolarHBondContact O-N 3.19Å; N1061-V1064 PolarHBondContact O-N 2.69Å; V1064-R1066 PolarHBondContact O-N 3.18Å; V1064-R1067 PolarHBondContact O-N 3.13Å; V1064-D1068 WeakPolarHBondContact O-CB 3.38Å; V1064-D1068 VanDerWaalsContact O-CG 3.27Å; V1064-D1068 PolarHBondContact O-N 3.29Å
1065F82.4Confident75Confident2 Ų258 Ų581%0.00928%0.276CS..Hα-helixtrans-54.4-48.9176.2174.4-100.6000112I990 V991 C1038 F1039 L1042 N1061 L1062 R1067 D1068 V1069I990-F1065 HydrophobicContact CG2-CD1 4.34Å; I990-F1065 HydrophobicContact CG2-CE1 4.32Å; V991-F1065 HydrophobicContact CG2-CE1 4.08Å; V991-F1065 HydrophobicContact CG2-CZ 4.39Å; C1038-F1065 HydrophobicContact CB-CD2 3.85Å; C1038-F1065 HydrophobicContact CB-CE2 3.91Å; C1038-F1065 WeakPolarHBondContact O-CD2 3.45Å; F1039-F1065 AromaticContact CD1-CE2 3.92Å; F1039-F1065 HydrophobicContact CD1-CE2 3.92Å; F1039-F1065 HydrophobicContact CD1-CZ 4.01Å; F1039-F1065 HydrophobicContact CD2-CE2 4.12Å; F1039-F1065 HydrophobicContact CD2-CZ 4.4Å; F1039-F1065 HydrophobicContact CE1-CE2 4.12Å; F1039-F1065 AromaticContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE2-CE2 4.29Å; F1039-F1065 HydrophobicContact CE2-CZ 4.12Å; F1039-F1065 AromaticContact CG-CE2 3.92Å; F1039-F1065 HydrophobicContact CG-CE2 3.92Å; F1039-F1065 HydrophobicContact CG-CZ 4.34Å; F1039-F1065 HydrophobicContact CZ-CE2 4.3Å; F1039-F1065 AromaticContact CZ-CZ 3.78Å; F1039-F1065 HydrophobicContact CZ-CZ 3.78Å; L1042-F1065 HydrophobicContact CB-CB 4.42Å; L1042-F1065 HydrophobicContact CB-CD2 3.99Å; L1042-F1065 HydrophobicContact CB-CG 4.28Å; L1042-F1065 HydrophobicContact CD1-CB 3.99Å; L1042-F1065 HydrophobicContact CD1-CD1 4.46Å; L1042-F1065 HydrophobicContact CD1-CG 4.14Å; L1042-F1065 HydrophobicContact CD2-CD1 4.48Å; L1042-F1065 HydrophobicContact CD2-CD2 4.4Å; L1042-F1065 HydrophobicContact CD2-CE2 4.44Å; L1042-F1065 HydrophobicContact CD2-CG 4.41Å; L1042-F1065 HydrophobicContact CD2-CZ 4.5Å; N1061-F1065 VanDerWaalsContact O-CB 3.26Å; N1061-F1065 WeakPolarHBondContact O-CB 3.42Å; N1061-F1065 PolarHBondContact O-N 2.98Å; L1062-F1065 HydrophobicContact CD1-CD1 4.36Å; L1062-F1065 PolarHBondContact O-N 3.37Å; F1065-R1067 PolarHBondContact O-N 3.33Å; F1065-D1068 PolarHBondContact O-N 2.73Å; F1065-V1069 HydrophobicContact CD1-CG2 4.27Å; F1065-V1069 HydrophobicContact CD2-CG2 3.85Å; F1065-V1069 HydrophobicContact CE1-CG2 4Å; F1065-V1069 HydrophobicContact CE2-CG2 3.56Å; F1065-V1069 HydrophobicContact CG-CG2 4.21Å; F1065-V1069 HydrophobicContact CZ-CG2 3.64Å; F1065-V1069 WeakPolarHBondContact O-CB 3.41Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.3Å; F1065-V1069 PolarHBondContact O-N 2.88Å
1066R75.6Confident73Confident61 Ų6163.4 Ų63.423%0.2331%0.307CS..Hα-helixtrans-63.5-41.5179.9-177.4178.4167.8-158-4112D994 C995 L1062 V1064 A1070D994-R1066 IonicContact OD1-NH2 2.98Å; D994-R1066 PolarHBondContact OD1-NH2 3.06Å; C995-R1066 PolarHBondContact O-NH1 3.31Å; L1062-R1066 WeakPolarHBondContact O-CB 3.14Å; L1062-R1066 PolarHBondContact O-N 3.02Å; V1064-R1066 PolarHBondContact O-N 3.18Å; R1066-A1070 WeakPolarHBondContact O-CB 3.27Å; R1066-A1070 PolarHBondContact O-N 2.61Å
1067R74.7Confident71Confident154 Ų15463.9 Ų63.958%0.58133%0.327SS*.Hα-helixtrans-62.8-51.8176.6-177.3-173.363.5-160.4-3110.9S1063 V1064 F1065 V1069 A1070 E1071S1063-R1067 PolarHBondContact O-N 2.74Å; S1063-R1067 VanDerWaalsContact O-N 3.16Å; V1064-R1067 PolarHBondContact O-N 3.13Å; F1065-R1067 PolarHBondContact O-N 3.33Å; R1067-V1069 VanDerWaalsContact C-N 3.34Å; R1067-V1069 PolarHBondContact O-N 3.44Å; R1067-A1070 PolarHBondContact O-N 3.29Å; R1067-E1071 WeakPolarHBondContact O-CB 3.46Å; R1067-E1071 PolarHBondContact O-N 3.43Å
1068D77.8Confident68.6Low23 Ų2366 Ų6612%0.12335%0.347CS..Hα-helixtrans-65.2-37.3-177.3-66.714000111K1041 V1064 F1065 E1071 A1072K1041-D1068 IonicContact NZ-OD2 3.99Å; K1041-D1068 PolarHBondContact NZ-OD2 3.33Å; V1064-D1068 WeakPolarHBondContact O-CB 3.38Å; V1064-D1068 VanDerWaalsContact O-CG 3.27Å; V1064-D1068 PolarHBondContact O-N 3.29Å; F1065-D1068 PolarHBondContact O-N 2.73Å; D1068-E1071 PolarHBondContact O-N 2.85Å; D1068-A1072 VanDerWaalsContact O-CB 3.28Å; D1068-A1072 WeakPolarHBondContact O-CB 3.46Å; D1068-A1072 PolarHBondContact O-N 3.02Å
1069V72.8Confident66Low3 Ų372.6 Ų72.62%0.01839%0.387CS..Hα-helixtrans-69.6-42.8174.1170.10000111.5V991 L1035 C1038 F1065 R1067 E1071 A1072 L1073V991-V1069 HydrophobicContact CG1-CG1 4.21Å; L1035-V1069 HydrophobicContact CD2-CG1 4.21Å; L1035-V1069 HydrophobicContact CD2-CG2 4.18Å; C1038-V1069 HydrophobicContact CB-CG2 3.86Å; F1065-V1069 HydrophobicContact CD1-CG2 4.27Å; F1065-V1069 HydrophobicContact CD2-CG2 3.85Å; F1065-V1069 HydrophobicContact CE1-CG2 4Å; F1065-V1069 HydrophobicContact CE2-CG2 3.56Å; F1065-V1069 HydrophobicContact CG-CG2 4.21Å; F1065-V1069 HydrophobicContact CZ-CG2 3.64Å; F1065-V1069 WeakPolarHBondContact O-CB 3.41Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.3Å; F1065-V1069 PolarHBondContact O-N 2.88Å; R1067-V1069 VanDerWaalsContact C-N 3.34Å; R1067-V1069 PolarHBondContact O-N 3.44Å; V1069-E1071 VanDerWaalsContact C-N 3.27Å; V1069-E1071 PolarHBondContact O-N 3.13Å; V1069-A1072 PolarHBondContact O-N 3.25Å; V1069-L1073 HydrophobicContact CG1-CD1 3.75Å; V1069-L1073 HydrophobicContact CG1-CG 4.25Å; V1069-L1073 WeakPolarHBondContact O-CB 3.48Å; V1069-L1073 WeakPolarHBondContact O-CG 3.1Å; V1069-L1073 PolarHBondContact O-N 3.03Å
1070A66.6Low63.3Low29 Ų2980.4 Ų80.424%0.2442%0.422CS..Hα-helixtrans-63.2-36.6175.900000111.6R1066 R1067 R1074R1066-A1070 WeakPolarHBondContact O-CB 3.27Å; R1066-A1070 PolarHBondContact O-N 2.61Å; R1067-A1070 PolarHBondContact O-N 3.29Å; A1070-R1074 WeakPolarHBondContact O-CB 3.32Å; A1070-R1074 WeakPolarHBondContact O-CD 3.46Å; A1070-R1074 WeakPolarHBondContact O-CG 3.39Å; A1070-R1074 PolarHBondContact O-N 3.29Å; A1070-R1074 VanDerWaalsContact O-N 3.14Å
1071E67.4Low60.9Low125 Ų12580.1 Ų80.158%0.58443%0.432SS*.Hα-helixtrans-68-46.7174.2-171.3171.9-177.400111.6R1067 D1068 V1069 L1073 R1074 S1075R1067-E1071 WeakPolarHBondContact O-CB 3.46Å; R1067-E1071 PolarHBondContact O-N 3.43Å; D1068-E1071 PolarHBondContact O-N 2.85Å; V1069-E1071 VanDerWaalsContact C-N 3.27Å; V1069-E1071 PolarHBondContact O-N 3.13Å; E1071-L1073 VanDerWaalsContact C-N 3.25Å; E1071-L1073 PolarHBondContact O-N 3.38Å; E1071-R1074 PolarHBondContact O-N 3.25Å; E1071-S1075 PolarHBondContact O-N 3.48Å; E1071-S1075 PolarHBondContact O-OG 3.48Å
1072A65.9Low58Low9 Ų984.2 Ų84.27%0.07446%0.462CS..Hα-helixtrans-64.1-27.3176.200000113.7V1034 D1068 V1069V1034-A1072 HydrophobicContact CG1-CB 3.83Å; D1068-A1072 VanDerWaalsContact O-CB 3.28Å; D1068-A1072 WeakPolarHBondContact O-CB 3.46Å; D1068-A1072 PolarHBondContact O-N 3.02Å; V1069-A1072 PolarHBondContact O-N 3.25Å
1073L62.8Low55.4Low49 Ų4989.3 Ų89.326%0.25750%0.497SS..Hα-helixtrans-81.4-22.6174.1-71173000112.9V1069 E1071V1069-L1073 HydrophobicContact CG1-CD1 3.75Å; V1069-L1073 HydrophobicContact CG1-CG 4.25Å; V1069-L1073 WeakPolarHBondContact O-CB 3.48Å; V1069-L1073 WeakPolarHBondContact O-CG 3.1Å; V1069-L1073 PolarHBondContact O-N 3.03Å; E1071-L1073 VanDerWaalsContact C-N 3.25Å; E1071-L1073 PolarHBondContact O-N 3.38Å
1074R55.8Low52.9Low207 Ų20794.5 Ų94.578%0.78152%0.52SS*.Hα-helixtrans-91.7-25.9179-75175-153.1-176.64.8114A1070 E1071 D1076A1070-R1074 WeakPolarHBondContact O-CB 3.32Å; A1070-R1074 WeakPolarHBondContact O-CD 3.46Å; A1070-R1074 WeakPolarHBondContact O-CG 3.39Å; A1070-R1074 PolarHBondContact O-N 3.29Å; A1070-R1074 VanDerWaalsContact O-N 3.14Å; E1071-R1074 PolarHBondContact O-N 3.25Å; R1074-D1076 PolarHBondContact O-N 3.22Å; R1074-D1076 VanDerWaalsContact O-N 3.15Å
1075S46.2Very low50.4Low67 Ų6798.6 Ų98.647%0.46954%0.54SS..  trans-72.5107.2179.9550000110.9R1031 E1071R1031-S1075 PolarHBondContact NH2-O 3.08Å; E1071-S1075 PolarHBondContact O-N 3.48Å; E1071-S1075 PolarHBondContact O-OG 3.48Å
1076D38.9Very low47.8Very low141 Ų141105.7 Ų105.775%0.75458%0.575SS**  trans-63.2135.4161.7-80.5-28.4000109R1031 R1074 N1078R1031-D1076 IonicContact NH2-OD1 2.82Å; R1074-D1076 PolarHBondContact O-N 3.22Å; R1074-D1076 VanDerWaalsContact O-N 3.15Å; D1076-N1078 PolarHBondContact O-N 3.18Å
1077G40.3Very low45.5Very low71 Ų71110.9 Ų110.973%0.73260%0.604SS**SBendtrans-71.560-171.100000114.9
1078N32.8Very low43.4Very low161 Ų161113 Ų11386%0.86164%0.642SS**  trans-113.681.1161.8-87.63.8000109.2D1076D1076-N1078 PolarHBondContact O-N 3.18Å
1079T30.1Very low41.7Very low138 Ų138117.5 Ų117.585%0.84767%0.668SS**  trans-10588.9158.147.10000108.2
1080E27.1Very low40Very low182 Ų182123.5 Ų123.585%0.8570%0.703SS**  trans-72.6134142.3-78.5-170.5161.200107.3C1082E1080-C1082 PolarHBondContact O-N 3.18Å
1081P32Very low38.5Very low124 Ų124128.8 Ų128.881%0.80573%0.728SS**  trans-78.396.6-178.331.1-30.3000109S1083P1081-S1083 PolarHBondContact O-N 2.84Å; P1081-S1083 VanDerWaalsContact O-N 3.15Å
1082C23.7Very low36.8Very low117 Ų117129 Ų12979%0.79174%0.737SS**  trans-80.194.5166.5-139.80000108.3E1080 L1084E1080-C1082 PolarHBondContact O-N 3.18Å; C1082-L1084 PolarHBondContact O-N 2.8Å; C1082-L1084 VanDerWaalsContact O-N 3.15Å
1083S29Very low35Very low107 Ų107136.5 Ų136.575%0.74878%0.778SS**  trans-58.5108.4163.452.40000109.3P1081P1081-S1083 PolarHBondContact O-N 2.84Å; P1081-S1083 VanDerWaalsContact O-N 3.15Å
1084L27.9Very low33.2Very low163 Ų163142.3 Ų142.385%0.85381%0.813SS**  trans-111.583.4161.2-90.6155.6000107.4C1082C1082-L1084 PolarHBondContact O-N 2.8Å; C1082-L1084 VanDerWaalsContact O-N 3.15Å
1085D28.2Very low31.6Very low137 Ų137137.7 Ų137.773%0.73382%0.815SS**  trans-70.3134.1157.6-110.7-26.8000109
1086M28.8Very low30.4Very low151 Ų151143.2 Ų143.274%0.74484%0.842SS**  trans69.9120.7142.7-74.5-152.4-65.200122.4
1087M25.8Very low29.7Very low170 Ų170143.3 Ų143.384%0.83785%0.849SS**  trans100.9131.9135.9-62.6-126-103.200119.7
1088S30.9Very low28.8Very low199 Ų199149.9 Ų149.9100%1.39286%0.86SS**  trans72.20174.360.90000118.6

Retrieved 1,088 of 1,088 residues in 4036.7 ms (Link to these results)

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