A0A077ZDC2_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZDC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M34.6Very low32.2Very low243 Ų243160.9 Ų160.9100%1.19785%0.853SS**  087.80-76.2177.5-171.200108.3R3M1-R3 PolarHBondContact O-N 3.36Å
2T30.6Very low35.4Very low142 Ų142153 Ų15387%0.87181%0.811SS**  trans-69.4113.4178.719.50000109.2E4T2-E4 PolarHBondContact O-N 3.37Å
3R26.6Very low38.9Very low245 Ų245149.1 Ų149.193%0.92580%0.803SS**  trans-73.6101.1168.6-81.5179.9169.9174.6-3.6108.1M1 R5M1-R3 PolarHBondContact O-N 3.36Å; R3-R5 PolarHBondContact O-N 2.9Å
4E28.2Very low42.5Very low179 Ų179141.2 Ų141.284%0.83676%0.756SS**  trans-62.8121.6165.7-75.6179.3154.100109.4T2 T6T2-E4 PolarHBondContact O-N 3.37Å; E4-T6 PolarHBondContact O-N 3.4Å
5R25.1Very low45.8Very low246 Ų246134.5 Ų134.593%0.92872%0.72SS**  trans-68.6105.7166.3-78.5177.3171.7176.7-3.1107.5R3 N7R3-R5 PolarHBondContact O-N 2.9Å; R5-N7 PolarHBondContact O-N 3.13Å
6T29Very low48.8Very low133 Ų133126.3 Ų126.382%0.81668%0.676SS**  trans-68.5122.2167.2450000109.1E4 G8E4-T6 PolarHBondContact O-N 3.4Å; T6-G8 PolarHBondContact O-N 3.25Å
7N28.2Very low51.5Low158 Ų158123.2 Ų123.285%0.84567%0.666SS**  trans-54124174.5-80.6-28.8000110.8R5 N9R5-N7 PolarHBondContact O-N 3.13Å; N7-N9 VanDerWaalsContact C-N 3.32Å; N7-N9 PolarHBondContact O-N 2.92Å
8G28.5Very low53.9Low76 Ų76123.9 Ų123.978%0.78466%0.663SS**  trans-71.676-179.100000113.4T6T6-G8 PolarHBondContact O-N 3.25Å
9N32.1Very low56.1Low154 Ų154119.1 Ų119.182%0.82465%0.645SS**  trans-10633.6174.3-144.814.8000112.8N7N7-N9 VanDerWaalsContact C-N 3.32Å; N7-N9 PolarHBondContact O-N 2.92Å
10S36.7Very low58.2Low111 Ų111117.3 Ų117.378%0.77663%0.632SS**  trans-93.610.1-174.364.70000115.8
11S55.2Low60.1Low83 Ų83115.4 Ų115.458%0.5863%0.625SS**SBendtrans-101.23-156.960.60000118.4
12L70.7Confident63.1Low66 Ų66105.1 Ų105.135%0.34657%0.573SS.*  trans-132.419.6-175.1-69.3169.4000115.3W14 I15L12-W14 HydrophobicContact CD2-CZ2 4.46Å; L12-W14 PolarHBondContact O-N 3.14Å; L12-I15 HydrophobicContact CB-CD1 3.89Å; L12-I15 HydrophobicContact CB-CG1 4.31Å; L12-I15 HydrophobicContact CB-CG2 4.1Å; L12-I15 HydrophobicContact CD1-CD1 4.3Å; L12-I15 HydrophobicContact CD2-CG2 3.62Å; L12-I15 HydrophobicContact CG-CD1 4.48Å; L12-I15 HydrophobicContact CG-CG2 4.42Å; L12-I15 VanDerWaalsContact O-CG1 3.27Å; L12-I15 WeakPolarHBondContact O-CG1 3.06Å; L12-I15 PolarHBondContact O-N 3.42Å
13S81Confident66.2Low102 Ų102106.7 Ų106.771%0.71356%0.563SS**THydrogen-bonded Turntrans-60.6-14.1-178.964.20000115.1
14W89.3Confident69.6Low39 Ų3996 Ų9615%0.14853%0.53CS..THydrogen-bonded Turntrans-88.1-12.8179.463.7-95.2000113.7L12 V55 D57 F97L12-W14 HydrophobicContact CD2-CZ2 4.46Å; L12-W14 PolarHBondContact O-N 3.14Å; W14-V55 HydrophobicContact CH2-CG2 3.95Å; W14-V55 HydrophobicContact CZ3-CB 4.09Å; W14-V55 HydrophobicContact CZ3-CG2 3.61Å; W14-D57 HydrophobicContact CD2-CB 3.71Å; W14-D57 HydrophobicContact CE3-CB 4.03Å; W14-D57 HydrophobicContact CG-CB 4.08Å; W14-D57 HydrophobicContact CH2-CB 4.4Å; W14-D57 HydrophobicContact CZ2-CB 4.13Å; W14-D57 HydrophobicContact CZ3-CB 4.35Å; W14-D57 VanDerWaalsContact CZ3-N 3.3Å; W14-F97 HydrophobicContact CE3-CB 3.78Å; W14-F97 HydrophobicContact CZ3-CB 3.99Å; W14-F97 WeakPolarHBondContact O-CD1 3.24Å
15I91.8Very high72.9Confident40 Ų4088.2 Ų88.221%0.20549%0.492CS..SBendtrans-75.3157.5-17574.4-177.9000112.6L12 F40L12-I15 HydrophobicContact CB-CD1 3.89Å; L12-I15 HydrophobicContact CB-CG1 4.31Å; L12-I15 HydrophobicContact CB-CG2 4.1Å; L12-I15 HydrophobicContact CD1-CD1 4.3Å; L12-I15 HydrophobicContact CD2-CG2 3.62Å; L12-I15 HydrophobicContact CG-CD1 4.48Å; L12-I15 HydrophobicContact CG-CG2 4.42Å; L12-I15 VanDerWaalsContact O-CG1 3.27Å; L12-I15 WeakPolarHBondContact O-CG1 3.06Å; L12-I15 PolarHBondContact O-N 3.42Å; I15-F40 HydrophobicContact CB-CZ 4Å; I15-F40 HydrophobicContact CD1-CZ 3.99Å; I15-F40 HydrophobicContact CG1-CZ 4.26Å
16P93.7Very high76.4Confident4 Ų480.7 Ų80.73%0.02647%0.467CS..PPolyproline II helixtrans-59.7145.2171.9-10.317.4000112.6E20 F22 V27 F40 M53 V55 F97P16-E20 WeakPolarHBondContact CA-OE2 3.47Å; P16-F22 HydrophobicContact CB-CE2 3.8Å; P16-F22 HydrophobicContact CB-CZ 4.2Å; P16-F22 HydrophobicContact CG-CE2 4.48Å; P16-V27 HydrophobicContact CB-CG2 4Å; P16-F40 HydrophobicContact CG-CD2 4.46Å; P16-F40 HydrophobicContact CG-CE2 4.14Å; P16-F40 HydrophobicContact CG-CZ 4.47Å; P16-M53 HydrophobicContact CB-CE 4.09Å; P16-M53 HydrophobicContact CG-CE 3.51Å; P16-V55 HydrophobicContact CG-CG1 3.86Å; P16-F97 HydrophobicContact CB-CE1 4.35Å; P16-F97 HydrophobicContact CB-CZ 3.98Å; P16-F97 HydrophobicContact CG-CE1 4.02Å; P16-F97 HydrophobicContact CG-CE2 3.86Å; P16-F97 HydrophobicContact CG-CZ 3.55Å
17S94.3Very high79.7Confident73 Ų7374.4 Ų74.451%0.5143%0.428SS..PPolyproline II helixtrans-82.1146.9170.8-60.60000110.9G19 E20S17-G19 PolarHBondContact O-N 3.3Å; S17-E20 PolarHBondContact N-OE2 3.43Å; S17-E20 WeakPolarHBondContact O-CB 3.49Å; S17-E20 PolarHBondContact O-N 3.3Å
18F95.1Very high82.9Confident137 Ų13770.7 Ų70.760%0.60141%0.405SS*.THydrogen-bonded Turntrans-60.4135.4174.6-58.2-51.5000110.8V27 H28 L30 F40F18-V27 HydrophobicContact CD1-CG1 4.06Å; F18-H28 WeakPolarHBondContact CD1-O 3.16Å; F18-L30 HydrophobicContact CE1-CB 4.44Å; F18-L30 HydrophobicContact CZ-CB 4.36Å; F18-F40 HydrophobicContact CE1-CD1 4.1Å; F18-F40 HydrophobicContact CE1-CE1 4.03Å
19G96.1Very high86Confident32 Ų3268.7 Ų68.733%0.3338%0.382SS..THydrogen-bonded Turntrans89.4-14.6-17700000115.7S17 V27S17-G19 PolarHBondContact O-N 3.3Å; G19-V27 PolarHBondContact N-O 2.98Å
20E97.1Very high88.9Confident83 Ų8364.7 Ų64.739%0.38836%0.36SS..  trans-62.4149.5172.3-71.1-171.4124.400111.3P16 S17 F22 K26 V27P16-E20 WeakPolarHBondContact CA-OE2 3.47Å; S17-E20 PolarHBondContact N-OE2 3.43Å; S17-E20 WeakPolarHBondContact O-CB 3.49Å; S17-E20 PolarHBondContact O-N 3.3Å; E20-F22 HydrophobicContact CB-CD2 4.5Å; E20-F22 HydrophobicContact CB-CE2 3.55Å; E20-F22 HydrophobicContact CB-CZ 3.79Å; E20-F22 HydrophobicContact CG-CZ 4.5Å; E20-K26 CarbonylContact O-C 3.48Å; E20-K26 VanDerWaalsContact O-CA 3.3Å; E20-K26 WeakPolarHBondContact O-CA 3.28Å; E20-V27 PolarHBondContact O-N 3.02Å
21V97.5Very high91.4Very high77 Ų7760.4 Ų60.447%0.46733%0.328SS..EExtended strand (participates in β ladder)trans-119.3122.4-177.1-177.50000110.5W25 K26 V45V21-W25 CarbonylContact C-O 3.56Å; V21-W25 WeakPolarHBondContact CA-O 3.39Å; V21-K26 HydrophobicContact CG2-CB 4.04Å; V21-K26 HydrophobicContact CG2-CG 4.17Å; V21-V45 HydrophobicContact CG1-CG1 3.98Å; V21-V45 HydrophobicContact CG2-CG1 4.18Å
22F97.6Very high92.8Very high28 Ų2857 Ų5712%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-117.5113.7177.4-58.6-80.4000109.9P16 E20 G24 W25 V27 M53 T94 F97 Y99P16-F22 HydrophobicContact CB-CE2 3.8Å; P16-F22 HydrophobicContact CB-CZ 4.2Å; P16-F22 HydrophobicContact CG-CE2 4.48Å; E20-F22 HydrophobicContact CB-CD2 4.5Å; E20-F22 HydrophobicContact CB-CE2 3.55Å; E20-F22 HydrophobicContact CB-CZ 3.79Å; E20-F22 HydrophobicContact CG-CZ 4.5Å; F22-G24 PolarHBondContact O-N 3.37Å; F22-G24 VanDerWaalsContact O-N 3.16Å; F22-W25 PolarHBondContact N-O 2.77Å; F22-W25 WeakPolarHBondContact O-CB 3.41Å; F22-W25 PolarHBondContact O-N 3.39Å; F22-V27 HydrophobicContact CD2-CG2 3.97Å; F22-V27 HydrophobicContact CE2-CG2 3.84Å; F22-M53 HydrophobicContact CD2-CE 4.3Å; F22-M53 HydrophobicContact CD2-SD 4.13Å; F22-T94 HydrophobicContact CD1-CG2 4.12Å; F22-T94 HydrophobicContact CE1-CG2 3.81Å; F22-F97 HydrophobicContact CD1-CZ 4.43Å; F22-F97 HydrophobicContact CE1-CE2 4.46Å; F22-F97 AromaticContact CE1-CZ 3.74Å; F22-F97 HydrophobicContact CE1-CZ 3.74Å; F22-F97 HydrophobicContact CE2-CZ 4.17Å; F22-F97 HydrophobicContact CZ-CE1 4.41Å; F22-F97 AromaticContact CZ-CZ 3.6Å; F22-F97 HydrophobicContact CZ-CZ 3.6Å; F22-Y99 HydrophobicContact CB-CE1 4.37Å; F22-Y99 HydrophobicContact CB-CE2 4.03Å; F22-Y99 HydrophobicContact CD1-CE1 4.28Å
23R96.5Very high93.4Very high175 Ų17556.2 Ų56.266%0.6631%0.306SS*.THydrogen-bonded Turntrans48.443.5-178.5-68.9-177.8172-80.9-3.3113.2T90 Y91 Y99R23-T90 HydrophobicContact CB-CG2 4.34Å; R23-T90 WeakPolarHBondContact CD-OG1 3.17Å; R23-Y91 PolarHBondContact NE-O 3.47Å; R23-Y99 WeakPolarHBondContact CD-OH 3.26Å; R23-Y99 WeakPolarHBondContact CG-OH 3.45Å
24G97.6Very high93.4Very high21 Ų2153.1 Ų53.122%0.21629%0.29CS..THydrogen-bonded Turntrans82.77.9179.400000115.4F22 N44 V45F22-G24 PolarHBondContact O-N 3.37Å; F22-G24 VanDerWaalsContact O-N 3.16Å; G24-N44 WeakPolarHBondContact O-CA 3.42Å; G24-V45 WeakPolarHBondContact O-CG2 3.13Å; G24-V45 PolarHBondContact O-N 2.7Å
25W98.3Very high92.9Very high14 Ų1455.2 Ų55.25%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-111.7115176.8-67.887.1000110.9V21 F22 V42 Q43 N44 K49 I89 V101V21-W25 CarbonylContact C-O 3.56Å; V21-W25 WeakPolarHBondContact CA-O 3.39Å; F22-W25 PolarHBondContact N-O 2.77Å; F22-W25 WeakPolarHBondContact O-CB 3.41Å; F22-W25 PolarHBondContact O-N 3.39Å; W25-V42 HydrophobicContact CB-CB 4.15Å; W25-V42 HydrophobicContact CB-CG2 4.3Å; W25-V42 HydrophobicContact CD2-CG2 4.24Å; W25-V42 HydrophobicContact CE3-CB 4.08Å; W25-V42 HydrophobicContact CE3-CG2 3.54Å; W25-V42 HydrophobicContact CZ3-CG2 4.22Å; W25-Q43 CarbonylContact C-O 3.53Å; W25-Q43 WeakPolarHBondContact CA-O 3.21Å; W25-N44 HydrophobicContact CD2-CB 4.24Å; W25-N44 HydrophobicContact CE3-CB 4.08Å; W25-N44 HydrophobicContact CH2-CB 3.93Å; W25-N44 HydrophobicContact CZ2-CB 4.04Å; W25-N44 HydrophobicContact CZ3-CB 3.94Å; W25-K49 WeakPolarHBondContact CZ3-O 3.47Å; W25-I89 HydrophobicContact CH2-CD1 3.78Å; W25-I89 HydrophobicContact CZ2-CD1 3.72Å; W25-I89 HydrophobicContact CZ2-CG2 3.9Å; W25-V101 HydrophobicContact CB-CG2 4.34Å; W25-V101 HydrophobicContact CD2-CG1 3.62Å; W25-V101 HydrophobicContact CE3-CG1 3.97Å; W25-V101 HydrophobicContact CG-CG1 3.91Å; W25-V101 HydrophobicContact CG-CG2 4.22Å; W25-V101 HydrophobicContact CZ2-CG1 4.25Å; W25-V101 HydrophobicContact CZ3-CG1 4.39Å
26K98.4Very high92.5Very high89 Ų8956.2 Ų56.239%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-83.5135.1178.9-173.5176.3-179.6178.90110.6E20 V21 H28 V42 Q43 V45E20-K26 CarbonylContact O-C 3.48Å; E20-K26 VanDerWaalsContact O-CA 3.3Å; E20-K26 WeakPolarHBondContact O-CA 3.28Å; V21-K26 HydrophobicContact CG2-CB 4.04Å; V21-K26 HydrophobicContact CG2-CG 4.17Å; K26-H28 PolarHBondContact O-CD2 2.88Å; K26-H28 VanDerWaalsContact O-CD2 3.26Å; K26-V42 CarbonylContact O-C 3.58Å; K26-V42 WeakPolarHBondContact O-CA 3.36Å; K26-V42 WeakPolarHBondContact O-CB 3.24Å; K26-Q43 PolarHBondContact N-O 2.95Å; K26-Q43 PolarHBondContact O-N 3.22Å; K26-V45 HydrophobicContact CB-CG1 4.15Å
27V97.9Very high92.3Very high1 Ų156.7 Ų56.71%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-78.8127.8176.7-171.80000110.8P16 F18 G19 E20 F22 F40 V42 M53P16-V27 HydrophobicContact CB-CG2 4Å; F18-V27 HydrophobicContact CD1-CG1 4.06Å; G19-V27 PolarHBondContact N-O 2.98Å; E20-V27 PolarHBondContact O-N 3.02Å; F22-V27 HydrophobicContact CD2-CG2 3.97Å; F22-V27 HydrophobicContact CE2-CG2 3.84Å; V27-F40 HydrophobicContact CG1-CB 4.05Å; V27-F40 HydrophobicContact CG1-CD1 3.62Å; V27-F40 HydrophobicContact CG1-CE1 4.33Å; V27-F40 HydrophobicContact CG1-CG 3.98Å; V27-V42 HydrophobicContact CG2-CG1 4.28Å; V27-M53 HydrophobicContact CG2-CE 3.51Å
28H95.2Very high92.2Very high79 Ų7953.2 Ų53.237%0.36628%0.281SS..EExtended strand (participates in β ladder)trans-112.7-55.3-177.3-80-93.8000113.8F18 K26 I41 Q43F18-H28 WeakPolarHBondContact CD1-O 3.16Å; K26-H28 PolarHBondContact O-CD2 2.88Å; K26-H28 VanDerWaalsContact O-CD2 3.26Å; H28-I41 HydrophobicContact CB-CG2 4.39Å; H28-I41 PolarHBondContact N-O 2.97Å; H28-Q43 WeakPolarHBondContact NE2-CB 3.42Å; H28-Q43 PolarHBondContact NE2-OE1 2.77Å
29A94.2Very high92.2Very high35 Ų3547.6 Ų47.629%0.28926%0.258SS..EExtended strand (participates in β ladder)trans-147.6146.5-172.400000110.8F40 I41A29-F40 CarbonylContact O-C 3.51Å; A29-F40 WeakPolarHBondContact O-CA 3.41Å; A29-F40 WeakPolarHBondContact O-CB 3.21Å; A29-I41 HydrophobicContact CB-CB 4.49Å; A29-I41 PolarHBondContact N-O 3.1Å; A29-I41 PolarHBondContact O-N 3.22Å
30L92.4Very high92.2Very high69 Ų6946 Ų4636%0.36124%0.242SC..EExtended strand (participates in β ladder)trans-79.8130168.3179.268.9000108.4F18 G32 A38 F40F18-L30 HydrophobicContact CE1-CB 4.44Å; F18-L30 HydrophobicContact CZ-CB 4.36Å; L30-G32 WeakPolarHBondContact CD1-O 3.5Å; L30-A38 HydrophobicContact CD1-CB 3.89Å; L30-F40 HydrophobicContact CB-CD1 4.14Å; L30-F40 HydrophobicContact CB-CE1 3.97Å; L30-F40 HydrophobicContact CD1-CD1 4.15Å; L30-F40 HydrophobicContact CD1-CE1 3.74Å; L30-F40 HydrophobicContact CD1-CE2 4.1Å; L30-F40 HydrophobicContact CD1-CZ 3.7Å; L30-F40 HydrophobicContact CG-CE1 4.44Å
31I88.6Confident92.1Very high21 Ų2142.7 Ų42.711%0.10823%0.227CC..EExtended strand (participates in β ladder)trans-117.4-12.9178.452.8168.3000114.1V39 I41 L336I31-V39 HydrophobicContact CD1-CG1 3.79Å; I31-V39 HydrophobicContact CG1-CB 4.08Å; I31-V39 HydrophobicContact CG1-CG1 3.88Å; I31-V39 VanDerWaalsContact CG1-O 3.23Å; I31-V39 WeakPolarHBondContact CG1-O 3.5Å; I31-V39 PolarHBondContact N-O 2.94Å; I31-I41 HydrophobicContact CD1-CG1 4.11Å; I31-I41 HydrophobicContact CG1-CG1 4.45Å; I31-I41 HydrophobicContact CG2-CD1 3.5Å; I31-I41 HydrophobicContact CG2-CG1 3.52Å; I31-L336 HydrophobicContact CG2-CB 4.29Å
32G84.7Confident92.1Very high12 Ų1239 Ų3912%0.12420%0.204CC..EExtended strand (participates in β ladder)trans-169.4147172.400000111.2L30 A38 V39L30-G32 WeakPolarHBondContact CD1-O 3.5Å; G32-A38 CarbonylContact O-C 3.42Å; G32-A38 WeakPolarHBondContact O-CA 3.44Å; G32-V39 PolarHBondContact N-O 2.82Å; G32-V39 PolarHBondContact O-N 2.91Å
33S84.6Confident92.1Very high49 Ų4940.2 Ų40.234%0.34321%0.21SC..EExtended strand (participates in β ladder)trans-136.4151.7169.653.40000108.9G37S33-G37 WeakPolarHBondContact CA-O 3.43Å
34G80.1Confident92.2Very high37 Ų3733 Ų3338%0.38119%0.185SC..EExtended strand (participates in β ladder)trans-166.7-173.3178.900000111.2Y36 G37G34-Y36 PolarHBondContact O-N 3.16Å; G34-G37 PolarHBondContact N-O 2.89Å; G34-G37 PolarHBondContact O-N 2.9Å; G34-G37 VanDerWaalsContact O-N 3.11Å; G34-G37 VanDerWaalsContact O-O 3.04Å
35R78.7Confident92.2Very high83 Ų8334.4 Ų34.431%0.31319%0.189SC..THydrogen-bonded Turntrans-53.5-32.7-174.6-176.4173.7178.7179.61.1114.5E349R35-E349 IonicContact CZ-OE1 2.66Å; R35-E349 IonicContact CZ-OE2 3.19Å; R35-E349 IonicContact NH1-OE1 3.67Å; R35-E349 PolarHBondContact NH1-OE1 2.96Å; R35-E349 IonicContact NH1-OE2 3.82Å; R35-E349 VanDerWaalsContact NH2-CD 3.25Å; R35-E349 IonicContact NH2-OE1 3.36Å; R35-E349 PolarHBondContact NH2-OE1 3.31Å; R35-E349 IonicContact NH2-OE2 3.75Å; R35-E349 PolarHBondContact NH2-OE2 3.22Å
36Y83.1Confident92.2Very high62 Ų6240.4 Ų40.424%0.24322%0.222CC..THydrogen-bonded Turntrans-99.2-2.2-173.8-56.8-75.1000113.9G34 M64 R66G34-Y36 PolarHBondContact O-N 3.16Å; Y36-M64 WeakPolarHBondContact CD1-O 3.41Å; Y36-R66 HydrophobicContact CD1-CG 4.36Å; Y36-R66 VanDerWaalsContact CD1-NE 3.26Å; Y36-R66 VanDerWaalsContact CE1-CZ 3.49Å; Y36-R66 VanDerWaalsContact CE1-NE 3.27Å; Y36-R66 VanDerWaalsContact CE1-NH2 3.29Å; Y36-R66 VanDerWaalsContact CZ-CZ 3.43Å; Y36-R66 PolarHBondContact OH-NH2 3.26Å
37G90.1Very high92.1Very high13 Ų1340.8 Ų40.813%0.13423%0.232CC..EExtended strand (participates in β ladder)trans147-154.9178.900000114.7S33 G34 V55S33-G37 WeakPolarHBondContact CA-O 3.43Å; G34-G37 PolarHBondContact N-O 2.89Å; G34-G37 PolarHBondContact O-N 2.9Å; G34-G37 VanDerWaalsContact O-N 3.11Å; G34-G37 VanDerWaalsContact O-O 3.04Å; G37-V55 CarbonylContact C-O 3.53Å; G37-V55 WeakPolarHBondContact CA-O 3.26Å
38A92.6Very high92Very high1 Ų146.8 Ų46.81%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-137.6154.7-178.800000111.5L30 G32 F40 K54 V55L30-A38 HydrophobicContact CD1-CB 3.89Å; G32-A38 CarbonylContact O-C 3.42Å; G32-A38 WeakPolarHBondContact O-CA 3.44Å; A38-F40 HydrophobicContact CB-CE2 3.72Å; A38-F40 HydrophobicContact CB-CZ 4.21Å; A38-K54 CarbonylContact O-C 3.56Å; A38-K54 WeakPolarHBondContact O-CA 3.46Å; A38-V55 HydrophobicContact CB-CG2 3.89Å; A38-V55 PolarHBondContact N-O 2.9Å; A38-V55 WeakPolarHBondContact O-CG2 3.3Å; A38-V55 PolarHBondContact O-N 2.91Å
39V94.3Very high92Very high18 Ų1848.4 Ų48.411%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-124.4129.7179-170.60000109.1I31 G32 A52 M53 K54 M338I31-V39 HydrophobicContact CD1-CG1 3.79Å; I31-V39 HydrophobicContact CG1-CB 4.08Å; I31-V39 HydrophobicContact CG1-CG1 3.88Å; I31-V39 VanDerWaalsContact CG1-O 3.23Å; I31-V39 WeakPolarHBondContact CG1-O 3.5Å; I31-V39 PolarHBondContact N-O 2.94Å; G32-V39 PolarHBondContact N-O 2.82Å; G32-V39 PolarHBondContact O-N 2.91Å; V39-A52 HydrophobicContact CG1-CB 4.23Å; V39-M53 CarbonylContact C-O 3.47Å; V39-M53 WeakPolarHBondContact CA-O 3.26Å; V39-K54 HydrophobicContact CG2-CB 4.36Å; V39-K54 HydrophobicContact CG2-CG 4.09Å; V39-M338 HydrophobicContact CG1-CE 4.27Å
40F96Very high92.1Very high0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-118.6145.9-179.1-63.1-96.4000111.3I15 P16 F18 V27 A29 L30 A38 A52 M53 V55I15-F40 HydrophobicContact CB-CZ 4Å; I15-F40 HydrophobicContact CD1-CZ 3.99Å; I15-F40 HydrophobicContact CG1-CZ 4.26Å; P16-F40 HydrophobicContact CG-CD2 4.46Å; P16-F40 HydrophobicContact CG-CE2 4.14Å; P16-F40 HydrophobicContact CG-CZ 4.47Å; F18-F40 HydrophobicContact CE1-CD1 4.1Å; F18-F40 HydrophobicContact CE1-CE1 4.03Å; V27-F40 HydrophobicContact CG1-CB 4.05Å; V27-F40 HydrophobicContact CG1-CD1 3.62Å; V27-F40 HydrophobicContact CG1-CE1 4.33Å; V27-F40 HydrophobicContact CG1-CG 3.98Å; A29-F40 CarbonylContact O-C 3.51Å; A29-F40 WeakPolarHBondContact O-CA 3.41Å; A29-F40 WeakPolarHBondContact O-CB 3.21Å; L30-F40 HydrophobicContact CB-CD1 4.14Å; L30-F40 HydrophobicContact CB-CE1 3.97Å; L30-F40 HydrophobicContact CD1-CD1 4.15Å; L30-F40 HydrophobicContact CD1-CE1 3.74Å; L30-F40 HydrophobicContact CD1-CE2 4.1Å; L30-F40 HydrophobicContact CD1-CZ 3.7Å; L30-F40 HydrophobicContact CG-CE1 4.44Å; A38-F40 HydrophobicContact CB-CE2 3.72Å; A38-F40 HydrophobicContact CB-CZ 4.21Å; F40-A52 CarbonylContact O-C 3.34Å; F40-A52 VanDerWaalsContact O-CA 3.32Å; F40-A52 WeakPolarHBondContact O-CA 3.29Å; F40-M53 HydrophobicContact CB-CB 4.49Å; F40-M53 HydrophobicContact CB-CE 4.42Å; F40-M53 HydrophobicContact CD2-CE 4.25Å; F40-M53 HydrophobicContact CG-CE 4.47Å; F40-M53 PolarHBondContact N-O 3.23Å; F40-M53 PolarHBondContact O-N 3.46Å; F40-V55 HydrophobicContact CD2-CG1 4.46Å; F40-V55 HydrophobicContact CD2-CG2 4.23Å; F40-V55 HydrophobicContact CE2-CG2 3.66Å
41I96.4Very high92.3Very high13 Ų1346 Ų467%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-71131.2157.6-65.1168.3000107.9H28 A29 I31 L50 L104 P333 L336H28-I41 HydrophobicContact CB-CG2 4.39Å; H28-I41 PolarHBondContact N-O 2.97Å; A29-I41 HydrophobicContact CB-CB 4.49Å; A29-I41 PolarHBondContact N-O 3.1Å; A29-I41 PolarHBondContact O-N 3.22Å; I31-I41 HydrophobicContact CD1-CG1 4.11Å; I31-I41 HydrophobicContact CG1-CG1 4.45Å; I31-I41 HydrophobicContact CG2-CD1 3.5Å; I31-I41 HydrophobicContact CG2-CG1 3.52Å; I41-L50 HydrophobicContact CG2-CD2 4.05Å; I41-L104 HydrophobicContact CG1-CD1 4.37Å; I41-P333 HydrophobicContact CD1-CB 4.05Å; I41-L336 HydrophobicContact CD1-CD1 3.53Å; I41-L336 HydrophobicContact CG1-CD1 4.27Å
42V97.7Very high92.7Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-124.1155.8172.8-70.30000111W25 K26 V27 L50 G51 M53 V101W25-V42 HydrophobicContact CB-CB 4.15Å; W25-V42 HydrophobicContact CB-CG2 4.3Å; W25-V42 HydrophobicContact CD2-CG2 4.24Å; W25-V42 HydrophobicContact CE3-CB 4.08Å; W25-V42 HydrophobicContact CE3-CG2 3.54Å; W25-V42 HydrophobicContact CZ3-CG2 4.22Å; K26-V42 CarbonylContact O-C 3.58Å; K26-V42 WeakPolarHBondContact O-CA 3.36Å; K26-V42 WeakPolarHBondContact O-CB 3.24Å; V27-V42 HydrophobicContact CG2-CG1 4.28Å; V42-L50 CarbonylContact O-C 3.59Å; V42-L50 WeakPolarHBondContact O-CA 3.26Å; V42-G51 WeakPolarHBondContact CG2-O 3.46Å; V42-G51 PolarHBondContact N-O 3.13Å; V42-G51 PolarHBondContact O-N 2.77Å; V42-M53 HydrophobicContact CB-CB 4.42Å; V42-M53 HydrophobicContact CG1-CB 3.47Å; V42-M53 VanDerWaalsContact CG1-CB 3.47Å; V42-M53 HydrophobicContact CG1-CE 4.13Å; V42-M53 HydrophobicContact CG1-CG 4.39Å; V42-M53 HydrophobicContact CG1-SD 4.14Å; V42-M53 HydrophobicContact CG2-CB 4.01Å; V42-V101 HydrophobicContact CG2-CG1 3.92Å
43Q97.9Very high93.3Very high52 Ų5244.4 Ų44.424%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-125.1132.8175.3-168.1177.940.800110.3W25 K26 H28 V45 K48 K49 L50W25-Q43 CarbonylContact C-O 3.53Å; W25-Q43 WeakPolarHBondContact CA-O 3.21Å; K26-Q43 PolarHBondContact N-O 2.95Å; K26-Q43 PolarHBondContact O-N 3.22Å; H28-Q43 WeakPolarHBondContact NE2-CB 3.42Å; H28-Q43 PolarHBondContact NE2-OE1 2.77Å; Q43-V45 PolarHBondContact O-N 2.84Å; Q43-K48 WeakPolarHBondContact CG-O 3.19Å; Q43-K48 PolarHBondContact NE2-O 3.38Å; Q43-K49 WeakPolarHBondContact CA-O 3.38Å; Q43-L50 HydrophobicContact CB-CD2 4.06Å; Q43-L50 HydrophobicContact CG-CD2 4.1Å
44N98.3Very high93.8Very high25 Ų2543.4 Ų43.413%0.13423%0.225CC..EExtended strand (participates in β ladder)trans-66.2125.3172-171.7-78.8000109.8G24 W25 N46 T47 K48 K49G24-N44 WeakPolarHBondContact O-CA 3.42Å; W25-N44 HydrophobicContact CD2-CB 4.24Å; W25-N44 HydrophobicContact CE3-CB 4.08Å; W25-N44 HydrophobicContact CH2-CB 3.93Å; W25-N44 HydrophobicContact CZ2-CB 4.04Å; W25-N44 HydrophobicContact CZ3-CB 3.94Å; N44-N46 PolarHBondContact O-N 3.02Å; N44-N46 PolarHBondContact OD1-N 3.26Å; N44-T47 VanDerWaalsContact CB-OG1 3.26Å; N44-T47 WeakPolarHBondContact CB-OG1 3.44Å; N44-T47 PolarHBondContact OD1-N 3.48Å; N44-T47 PolarHBondContact OD1-OG1 3.29Å; N44-K48 VanDerWaalsContact O-CA 3.27Å; N44-K48 WeakPolarHBondContact O-CA 3.47Å; N44-K48 PolarHBondContact O-N 3.43Å; N44-K49 PolarHBondContact N-O 3.41Å
45V98Very high94.5Very high49 Ų4941.6 Ų41.630%0.29721%0.206SC..THydrogen-bonded Turntrans-63.1-29.7-173.9-630000113.1V21 G24 K26 Q43 K48V21-V45 HydrophobicContact CG1-CG1 3.98Å; V21-V45 HydrophobicContact CG2-CG1 4.18Å; G24-V45 WeakPolarHBondContact O-CG2 3.13Å; G24-V45 PolarHBondContact O-N 2.7Å; K26-V45 HydrophobicContact CB-CG1 4.15Å; Q43-V45 PolarHBondContact O-N 2.84Å; V45-K48 PolarHBondContact O-NZ 3.06Å
46N97.5Very high95.3Very high140 Ų14037.9 Ų37.975%0.74919%0.193SC*.THydrogen-bonded Turntrans-91.3-55.6-177.7-62.1-26.7000111.4N44 K48N44-N46 PolarHBondContact O-N 3.02Å; N44-N46 PolarHBondContact OD1-N 3.26Å; N46-K48 VanDerWaalsContact C-N 3.35Å
47T97.1Very high95.8Very high98 Ų9836.8 Ų36.860%0.60119%0.191SC*.THydrogen-bonded Turntrans-84.5-10.5-172.567.60000113.7N44 K49N44-T47 VanDerWaalsContact CB-OG1 3.26Å; N44-T47 WeakPolarHBondContact CB-OG1 3.44Å; N44-T47 PolarHBondContact OD1-N 3.48Å; N44-T47 PolarHBondContact OD1-OG1 3.29Å; T47-K49 PolarHBondContact O-N 3.45Å; T47-K49 WeakPolarHBondContact OG1-CB 3.5Å; T47-K49 PolarHBondContact OG1-N 2.87Å
48K95.8Very high95.9Very high127 Ų12740.4 Ų40.455%0.55220%0.201SC*.  trans59.95.5-173.1-51.3-53-175.6-166.80114.9Q43 N44 V45 N46Q43-K48 WeakPolarHBondContact CG-O 3.19Å; Q43-K48 PolarHBondContact NE2-O 3.38Å; N44-K48 VanDerWaalsContact O-CA 3.27Å; N44-K48 WeakPolarHBondContact O-CA 3.47Å; N44-K48 PolarHBondContact O-N 3.43Å; V45-K48 PolarHBondContact O-NZ 3.06Å; N46-K48 VanDerWaalsContact C-N 3.35Å
49K95.3Very high95.8Very high112 Ų11247.7 Ų47.749%0.48723%0.232SC..  trans-66.7137.5176.5-172168.2-176.2167.20110.7W25 Q43 N44 T47 E166W25-K49 WeakPolarHBondContact CZ3-O 3.47Å; Q43-K49 WeakPolarHBondContact CA-O 3.38Å; N44-K49 PolarHBondContact N-O 3.41Å; T47-K49 PolarHBondContact O-N 3.45Å; T47-K49 WeakPolarHBondContact OG1-CB 3.5Å; T47-K49 PolarHBondContact OG1-N 2.87Å; K49-E166 IonicContact NZ-OE1 3.91Å
50L95.7Very high95.5Very high53 Ų5347.8 Ų47.828%0.27724%0.235SC..EExtended strand (participates in β ladder)trans-79.7152.1174-62.7178.1000111.7I41 V42 Q43 L104I41-L50 HydrophobicContact CG2-CD2 4.05Å; V42-L50 CarbonylContact O-C 3.59Å; V42-L50 WeakPolarHBondContact O-CA 3.26Å; Q43-L50 HydrophobicContact CB-CD2 4.06Å; Q43-L50 HydrophobicContact CG-CD2 4.1Å; L50-L104 HydrophobicContact CB-CB 4.48Å; L50-L104 HydrophobicContact CB-CD2 3.86Å; L50-L104 HydrophobicContact CD1-CD2 4.08Å
51G96.4Very high95.1Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-148.6174175.300000110.6V42 M102V42-G51 WeakPolarHBondContact CG2-O 3.46Å; V42-G51 PolarHBondContact N-O 3.13Å; V42-G51 PolarHBondContact O-N 2.77Å; G51-M102 CarbonylContact C-O 3.6Å; G51-M102 WeakPolarHBondContact CA-O 3.33Å
52A96.8Very high94.3Very high0 Ų058 Ų580%029%0.29CS..EExtended strand (participates in β ladder)trans-110.4136.3170.200000109.7V39 F40 V101 M102 L104 M338V39-A52 HydrophobicContact CG1-CB 4.23Å; F40-A52 CarbonylContact O-C 3.34Å; F40-A52 VanDerWaalsContact O-CA 3.32Å; F40-A52 WeakPolarHBondContact O-CA 3.29Å; A52-V101 CarbonylContact O-C 3.55Å; A52-V101 WeakPolarHBondContact O-CA 3.47Å; A52-M102 HydrophobicContact CB-CE 4.45Å; A52-M102 HydrophobicContact CB-CG 4.06Å; A52-M102 PolarHBondContact N-O 3.13Å; A52-M102 PolarHBondContact O-N 3.35Å; A52-L104 HydrophobicContact CB-CD1 4.23Å; A52-M338 HydrophobicContact CB-CE 3.93Å
53M97.1Very high93.4Very high0 Ų060.3 Ų60.30%031%0.313CS..EExtended strand (participates in β ladder)trans-116.1109.7174.3-176.2177.870.300110P16 F22 V27 V39 F40 V42 V55 Y99 I100 V101P16-M53 HydrophobicContact CB-CE 4.09Å; P16-M53 HydrophobicContact CG-CE 3.51Å; F22-M53 HydrophobicContact CD2-CE 4.3Å; F22-M53 HydrophobicContact CD2-SD 4.13Å; V27-M53 HydrophobicContact CG2-CE 3.51Å; V39-M53 CarbonylContact C-O 3.47Å; V39-M53 WeakPolarHBondContact CA-O 3.26Å; F40-M53 HydrophobicContact CB-CB 4.49Å; F40-M53 HydrophobicContact CB-CE 4.42Å; F40-M53 HydrophobicContact CD2-CE 4.25Å; F40-M53 HydrophobicContact CG-CE 4.47Å; F40-M53 PolarHBondContact N-O 3.23Å; F40-M53 PolarHBondContact O-N 3.46Å; V42-M53 HydrophobicContact CB-CB 4.42Å; V42-M53 HydrophobicContact CG1-CB 3.47Å; V42-M53 VanDerWaalsContact CG1-CB 3.47Å; V42-M53 HydrophobicContact CG1-CE 4.13Å; V42-M53 HydrophobicContact CG1-CG 4.39Å; V42-M53 HydrophobicContact CG1-SD 4.14Å; V42-M53 HydrophobicContact CG2-CB 4.01Å; M53-V55 HydrophobicContact CE-CG1 3.92Å; M53-V55 HydrophobicContact CG-CG1 4.05Å; M53-V55 HydrophobicContact SD-CG1 4.35Å; M53-Y99 HydrophobicContact SD-CD2 4.24Å; M53-Y99 HydrophobicContact SD-CG 4.39Å; M53-I100 CarbonylContact C-O 3.56Å; M53-I100 VanDerWaalsContact CA-O 3.25Å; M53-I100 WeakPolarHBondContact CA-O 3.37Å; M53-V101 HydrophobicContact CB-CG2 4.22Å; M53-V101 HydrophobicContact CG-CG2 4.02Å; M53-V101 HydrophobicContact SD-CG2 4.35Å
54K95.4Very high92.6Very high28 Ų2860.7 Ų60.712%0.12232%0.316CS..EExtended strand (participates in β ladder)trans-87.9132.2171.9-168.7176.2-175.2-178.80108.7A38 V39 L67 E70 Y99 I100 M102 D177A38-K54 CarbonylContact O-C 3.56Å; A38-K54 WeakPolarHBondContact O-CA 3.46Å; V39-K54 HydrophobicContact CG2-CB 4.36Å; V39-K54 HydrophobicContact CG2-CG 4.09Å; K54-L67 HydrophobicContact CB-CD2 4.29Å; K54-L67 HydrophobicContact CD-CD2 3.72Å; K54-L67 HydrophobicContact CG-CD2 3.85Å; K54-E70 IonicContact NZ-OE1 3.97Å; K54-E70 PolarHBondContact NZ-OE1 3.26Å; K54-E70 IonicContact NZ-OE2 3.63Å; K54-E70 PolarHBondContact NZ-OE2 2.96Å; K54-Y99 CarbonylContact O-C 3.55Å; K54-Y99 VanDerWaalsContact O-CA 3.24Å; K54-Y99 WeakPolarHBondContact O-CA 3.17Å; K54-I100 PolarHBondContact N-O 3.28Å; K54-I100 PolarHBondContact O-N 3.4Å; K54-M102 HydrophobicContact CB-CE 3.76Å; K54-M102 HydrophobicContact CD-CE 4.42Å; K54-D177 IonicContact NZ-OD1 3.35Å; K54-D177 IonicContact NZ-OD2 3.39Å; K54-D177 PolarHBondContact NZ-OD2 3.27Å
55V95.6Very high92.2Very high0 Ų064 Ų640%033%0.326CS..EExtended strand (participates in β ladder)trans-125.8146.9178.6-560000110.6W14 P16 G37 A38 F40 M53 F97 N98W14-V55 HydrophobicContact CH2-CG2 3.95Å; W14-V55 HydrophobicContact CZ3-CB 4.09Å; W14-V55 HydrophobicContact CZ3-CG2 3.61Å; P16-V55 HydrophobicContact CG-CG1 3.86Å; G37-V55 CarbonylContact C-O 3.53Å; G37-V55 WeakPolarHBondContact CA-O 3.26Å; A38-V55 HydrophobicContact CB-CG2 3.89Å; A38-V55 PolarHBondContact N-O 2.9Å; A38-V55 WeakPolarHBondContact O-CG2 3.3Å; A38-V55 PolarHBondContact O-N 2.91Å; F40-V55 HydrophobicContact CD2-CG1 4.46Å; F40-V55 HydrophobicContact CD2-CG2 4.23Å; F40-V55 HydrophobicContact CE2-CG2 3.66Å; M53-V55 HydrophobicContact CE-CG1 3.92Å; M53-V55 HydrophobicContact CG-CG1 4.05Å; M53-V55 HydrophobicContact SD-CG1 4.35Å; V55-F97 HydrophobicContact CB-CD2 4.02Å; V55-F97 HydrophobicContact CG1-CD2 3.86Å; V55-F97 HydrophobicContact CG1-CE2 4Å; V55-N98 VanDerWaalsContact CA-O 3.24Å; V55-N98 WeakPolarHBondContact CA-O 3.39Å
56E94.4Very high91.8Very high5 Ų562.9 Ų62.92%0.02332%0.317CS..EExtended strand (participates in β ladder)trans-132147.4171.278.1-172.7179.800109.8R58 R65 R66 L67 F97 N98E56-R58 PolarHBondContact O-N 3.4Å; E56-R65 WeakPolarHBondContact OE2-CA 3.25Å; E56-R66 PolarHBondContact OE2-N 3.45Å; E56-L67 HydrophobicContact CB-CD1 3.98Å; E56-L67 HydrophobicContact CB-CG 4.11Å; E56-L67 HydrophobicContact CG-CB 4.31Å; E56-L67 HydrophobicContact CG-CD1 3.73Å; E56-L67 HydrophobicContact CG-CG 3.89Å; E56-L67 WeakPolarHBondContact OE2-CG 3.39Å; E56-L67 PolarHBondContact OE2-N 2.75Å; E56-F97 CarbonylContact O-C 3.6Å; E56-F97 WeakPolarHBondContact O-CA 3.07Å; E56-F97 WeakPolarHBondContact O-CB 3.39Å; E56-N98 HydrophobicContact CG-CB 3.99Å; E56-N98 PolarHBondContact N-O 3.18Å; E56-N98 PolarHBondContact O-N 2.96Å; E56-N98 PolarHBondContact OE1-ND2 2.93Å
57D93.9Very high91.5Very high39 Ų3956.5 Ų56.521%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-64130.2174.8179.76.6000110.3W14 F59 A60W14-D57 HydrophobicContact CD2-CB 3.71Å; W14-D57 HydrophobicContact CE3-CB 4.03Å; W14-D57 HydrophobicContact CG-CB 4.08Å; W14-D57 HydrophobicContact CH2-CB 4.4Å; W14-D57 HydrophobicContact CZ2-CB 4.13Å; W14-D57 HydrophobicContact CZ3-CB 4.35Å; W14-D57 VanDerWaalsContact CZ3-N 3.3Å; D57-F59 PolarHBondContact O-N 3.35Å; D57-F59 PolarHBondContact OD1-N 2.95Å; D57-A60 HydrophobicContact CB-CB 4.01Å; D57-A60 PolarHBondContact OD2-N 3Å
58R91.7Very high91.3Very high89 Ų8959.7 Ų59.734%0.33629%0.288SS..SBendtrans-67.3-28.5176.5-81.3-173.969.6-145.1-12.3112.7E56 R65 T94 K96 N98E56-R58 PolarHBondContact O-N 3.4Å; R58-R65 PolarHBondContact O-NH1 3.01Å; R58-T94 WeakPolarHBondContact CD-O 3.42Å; R58-T94 PolarHBondContact NH1-O 3.3Å; R58-K96 WeakPolarHBondContact CB-O 3.18Å; R58-K96 PolarHBondContact N-O 3.48Å; R58-N98 WeakPolarHBondContact CG-OD1 3.27Å
59F90.5Very high91.2Very high153 Ų15356.4 Ų56.467%0.67128%0.279SS*.SBendtrans-95.8-3.6-174.9-55.9-74.7000112.9D57 A95D57-F59 PolarHBondContact O-N 3.35Å; D57-F59 PolarHBondContact OD1-N 2.95Å; F59-A95 WeakPolarHBondContact CE2-O 3.49Å
60A88.6Confident91.2Very high20 Ų2051.2 Ų51.217%0.16526%0.256CS..SBendtrans-57.2152.3169.600000111.7D57 M64 R65D57-A60 HydrophobicContact CB-CB 4.01Å; D57-A60 PolarHBondContact OD2-N 3Å; A60-M64 HydrophobicContact CB-CB 4.04Å; A60-R65 HydrophobicContact CB-CG 4.24Å; A60-R65 PolarHBondContact O-NE 3.25Å; A60-R65 PolarHBondContact O-NH1 2.84Å
61S86.4Confident91.2Very high68 Ų6849.5 Ų49.548%0.47625%0.248SC..  trans-56.7153.9178.269.50000111.7G63 M64 R65S61-G63 PolarHBondContact O-N 2.88Å; S61-M64 WeakPolarHBondContact O-CB 3.48Å; S61-M64 PolarHBondContact O-N 2.94Å; S61-M64 WeakPolarHBondContact OG-CG 3.3Å; S61-M64 PolarHBondContact OG-SD 3.33Å; S61-R65 PolarHBondContact O-N 3.21Å
62E80.6Confident91.2Very high161 Ų16154.2 Ų54.275%0.75227%0.273SS*.G310 helixtrans-60.1-32.5-175.5-167.5169.7-164.500113.1M64 R65E62-M64 PolarHBondContact O-N 2.86Å; E62-R65 PolarHBondContact O-N 3.25Å
63G79.2Confident91.2Very high47 Ų4754.3 Ų54.349%0.48527%0.273SS..G310 helixtrans-66.5-20.4174.300000114.6S61S61-G63 PolarHBondContact O-N 2.88Å
64M81Confident91.2Very high60 Ų6054.4 Ų54.430%0.29627%0.274SS..G310 helixtrans-93-18.9179.2-70173.2172.200113.3Y36 A60 S61 E62Y36-M64 WeakPolarHBondContact CD1-O 3.41Å; A60-M64 HydrophobicContact CB-CB 4.04Å; S61-M64 WeakPolarHBondContact O-CB 3.48Å; S61-M64 PolarHBondContact O-N 2.94Å; S61-M64 WeakPolarHBondContact OG-CG 3.3Å; S61-M64 PolarHBondContact OG-SD 3.33Å; E62-M64 PolarHBondContact O-N 2.86Å
65R88.7Confident91.3Very high95 Ų9556.7 Ų56.736%0.35828%0.284SS..  trans-88.5117-179.4-65.2-178.3-61.4-134.8-8.2111.1E56 R58 A60 S61 E62E56-R65 WeakPolarHBondContact OE2-CA 3.25Å; R58-R65 PolarHBondContact O-NH1 3.01Å; A60-R65 HydrophobicContact CB-CG 4.24Å; A60-R65 PolarHBondContact O-NE 3.25Å; A60-R65 PolarHBondContact O-NH1 2.84Å; S61-R65 PolarHBondContact O-N 3.21Å; E62-R65 PolarHBondContact O-N 3.25Å
66R89.2Confident91.3Very high26 Ų2657.7 Ų57.710%0.09829%0.289CS..  trans-119.7-23.3-174.7-64.5-179.9179.7-157.9-3.7113.3Y36 E56 K68 V69 E70 M180Y36-R66 HydrophobicContact CD1-CG 4.36Å; Y36-R66 VanDerWaalsContact CD1-NE 3.26Å; Y36-R66 VanDerWaalsContact CE1-CZ 3.49Å; Y36-R66 VanDerWaalsContact CE1-NE 3.27Å; Y36-R66 VanDerWaalsContact CE1-NH2 3.29Å; Y36-R66 VanDerWaalsContact CZ-CZ 3.43Å; Y36-R66 PolarHBondContact OH-NH2 3.26Å; E56-R66 PolarHBondContact OE2-N 3.45Å; R66-K68 PolarHBondContact O-N 3.48Å; R66-K68 VanDerWaalsContact O-N 3.14Å; R66-V69 WeakPolarHBondContact O-CB 3.27Å; R66-V69 PolarHBondContact O-N 2.88Å; R66-E70 PolarHBondContact O-N 3.33Å; R66-M180 HydrophobicContact CG-CE 4.14Å
67L92.8Very high91.4Very high6 Ų657.4 Ų57.43%0.03129%0.288CS..Hα-helixtrans-61.1-31.8-172.2-67-174.2000113.2K54 E56 V69 E70 V71 N98 I100K54-L67 HydrophobicContact CB-CD2 4.29Å; K54-L67 HydrophobicContact CD-CD2 3.72Å; K54-L67 HydrophobicContact CG-CD2 3.85Å; E56-L67 HydrophobicContact CB-CD1 3.98Å; E56-L67 HydrophobicContact CB-CG 4.11Å; E56-L67 HydrophobicContact CG-CB 4.31Å; E56-L67 HydrophobicContact CG-CD1 3.73Å; E56-L67 HydrophobicContact CG-CG 3.89Å; E56-L67 WeakPolarHBondContact OE2-CG 3.39Å; E56-L67 PolarHBondContact OE2-N 2.75Å; L67-V69 VanDerWaalsContact C-N 3.32Å; L67-V69 PolarHBondContact O-N 2.86Å; L67-E70 PolarHBondContact O-N 3.36Å; L67-V71 WeakPolarHBondContact O-CG2 3.27Å; L67-V71 PolarHBondContact O-N 3.36Å; L67-N98 HydrophobicContact CD1-CB 4.18Å; L67-N98 WeakPolarHBondContact CD1-O 3.39Å; L67-I100 HydrophobicContact CB-CD1 4.09Å; L67-I100 HydrophobicContact CB-CG1 4.32Å; L67-I100 HydrophobicContact CD1-CG1 4.36Å; L67-I100 HydrophobicContact CD2-CD1 3.67Å; L67-I100 HydrophobicContact CD2-CG1 4.03Å; L67-I100 HydrophobicContact CG-CD1 4.37Å; L67-I100 HydrophobicContact CG-CG1 4.48Å
68K92.8Very high91.5Very high164 Ų16461.1 Ų61.171%0.71330%0.302SS*.Hα-helixtrans-60.2-43.5174.5-175.8179176.9-174.70111.7R66 L72R66-K68 PolarHBondContact O-N 3.48Å; R66-K68 VanDerWaalsContact O-N 3.14Å; K68-L72 HydrophobicContact CG-CD1 4.4Å; K68-L72 VanDerWaalsContact O-CG 3.28Å; K68-L72 WeakPolarHBondContact O-CG 3.36Å; K68-L72 PolarHBondContact O-N 3.21Å
69V93.2Very high91.7Very high58 Ų5864.1 Ų64.135%0.35232%0.32SS..Hα-helixtrans-66.4-45.1176.4176.70000109.7R66 L67 V71 L72 V73R66-V69 WeakPolarHBondContact O-CB 3.27Å; R66-V69 PolarHBondContact O-N 2.88Å; L67-V69 VanDerWaalsContact C-N 3.32Å; L67-V69 PolarHBondContact O-N 2.86Å; V69-V71 PolarHBondContact O-N 3.17Å; V69-L72 PolarHBondContact O-N 3.44Å; V69-L72 VanDerWaalsContact O-N 3.17Å; V69-V73 HydrophobicContact CG1-CG2 4.19Å; V69-V73 VanDerWaalsContact O-CG2 3.27Å; V69-V73 WeakPolarHBondContact O-CG2 3.25Å; V69-V73 PolarHBondContact O-N 3.05Å
70E95.3Very high91.9Very high3 Ų360.8 Ų60.81%0.01430%0.303CS..Hα-helixtrans-57.3-49.1178.1-69.5-173.5-128.900112.4K54 R66 L67 L72 V73 M74 I100 F178 G179K54-E70 IonicContact NZ-OE1 3.97Å; K54-E70 PolarHBondContact NZ-OE1 3.26Å; K54-E70 IonicContact NZ-OE2 3.63Å; K54-E70 PolarHBondContact NZ-OE2 2.96Å; R66-E70 PolarHBondContact O-N 3.33Å; L67-E70 PolarHBondContact O-N 3.36Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 2.87Å; E70-V73 PolarHBondContact O-N 3.29Å; E70-M74 HydrophobicContact CB-CE 4.48Å; E70-M74 WeakPolarHBondContact O-CB 3.45Å; E70-M74 VanDerWaalsContact O-CG 3.27Å; E70-M74 WeakPolarHBondContact O-CG 3.35Å; E70-M74 PolarHBondContact O-N 2.78Å; E70-I100 HydrophobicContact CB-CD1 3.84Å; E70-F178 HydrophobicContact CG-CB 4.26Å; E70-G179 VanDerWaalsContact CG-N 3.32Å
71V96.1Very high92.2Very high18 Ų1865.9 Ų65.911%0.10933%0.327CS..Hα-helixtrans-59-42.6177.3172.90000111.3L67 V69 K75 Y91 I100L67-V71 WeakPolarHBondContact O-CG2 3.27Å; L67-V71 PolarHBondContact O-N 3.36Å; V69-V71 PolarHBondContact O-N 3.17Å; V71-K75 HydrophobicContact CG1-CD 4.08Å; V71-K75 HydrophobicContact CG1-CG 4.4Å; V71-K75 WeakPolarHBondContact O-CB 3.1Å; V71-K75 VanDerWaalsContact O-CG 3.26Å; V71-K75 WeakPolarHBondContact O-CG 3.35Å; V71-K75 PolarHBondContact O-N 2.89Å; V71-Y91 HydrophobicContact CG1-CD1 3.78Å; V71-Y91 HydrophobicContact CG1-CD2 4.09Å; V71-Y91 HydrophobicContact CG1-CE1 3.87Å; V71-Y91 HydrophobicContact CG1-CE2 4.18Å; V71-Y91 HydrophobicContact CG1-CG 3.93Å; V71-Y91 HydrophobicContact CG2-CD1 4.31Å; V71-Y91 HydrophobicContact CG2-CD2 4.34Å; V71-Y91 HydrophobicContact CG2-CG 3.91Å; V71-I100 HydrophobicContact CB-CD1 4.48Å; V71-I100 HydrophobicContact CG2-CD1 3.36Å; V71-I100 HydrophobicContact CG2-CG1 3.55Å
72L96.2Very high92.6Very high99 Ų9963 Ų6352%0.51831%0.307SS..Hα-helixtrans-62.9-45.1179.6-73.9168.5000111.6K68 V69 E70 D76K68-L72 HydrophobicContact CG-CD1 4.4Å; K68-L72 VanDerWaalsContact O-CG 3.28Å; K68-L72 WeakPolarHBondContact O-CG 3.36Å; K68-L72 PolarHBondContact O-N 3.21Å; V69-L72 PolarHBondContact O-N 3.44Å; V69-L72 VanDerWaalsContact O-N 3.17Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 2.87Å; L72-D76 PolarHBondContact O-N 3.45Å
73V97Very high93.3Very high2 Ų262.9 Ų62.91%0.01230%0.304CS..Hα-helixtrans-65.7-49.6178.6177.90000110.2V69 E70 K75 D76 L77 Y151 F178 A181V69-V73 HydrophobicContact CG1-CG2 4.19Å; V69-V73 VanDerWaalsContact O-CG2 3.27Å; V69-V73 WeakPolarHBondContact O-CG2 3.25Å; V69-V73 PolarHBondContact O-N 3.05Å; E70-V73 PolarHBondContact O-N 3.29Å; V73-K75 VanDerWaalsContact C-N 3.25Å; V73-K75 PolarHBondContact O-N 2.83Å; V73-D76 PolarHBondContact O-N 3.14Å; V73-L77 HydrophobicContact CG1-CD1 3.74Å; V73-L77 HydrophobicContact CG1-CG 4.1Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 2.88Å; V73-Y151 HydrophobicContact CB-CE1 4.45Å; V73-Y151 HydrophobicContact CG1-CD1 4.26Å; V73-Y151 HydrophobicContact CG1-CD2 4.4Å; V73-Y151 HydrophobicContact CG1-CE1 4.46Å; V73-Y151 HydrophobicContact CG1-CG 4.23Å; V73-Y151 HydrophobicContact CG2-CD1 3.93Å; V73-Y151 HydrophobicContact CG2-CE1 3.65Å; V73-F178 HydrophobicContact CB-CB 3.98Å; V73-F178 HydrophobicContact CB-CG 4.44Å; V73-F178 HydrophobicContact CG1-CB 3.84Å; V73-F178 HydrophobicContact CG1-CD1 4.22Å; V73-F178 HydrophobicContact CG1-CD2 4.48Å; V73-F178 HydrophobicContact CG1-CG 3.91Å; V73-F178 HydrophobicContact CG2-CB 4.4Å; V73-A181 HydrophobicContact CG1-CB 4.25Å; V73-A181 HydrophobicContact CG2-CB 3.96Å
74M97.4Very high94.2Very high2 Ų263.1 Ų63.11%0.0129%0.293CS..Hα-helixtrans-59.4-34.7179.9-71.4-179.9-175.800112.6E70 K78 L87 C88 I100 F178E70-M74 HydrophobicContact CB-CE 4.48Å; E70-M74 WeakPolarHBondContact O-CB 3.45Å; E70-M74 VanDerWaalsContact O-CG 3.27Å; E70-M74 WeakPolarHBondContact O-CG 3.35Å; E70-M74 PolarHBondContact O-N 2.78Å; M74-K78 VanDerWaalsContact O-CB 3.26Å; M74-K78 WeakPolarHBondContact O-CB 3.24Å; M74-K78 PolarHBondContact O-N 3.21Å; M74-L87 HydrophobicContact CB-CD2 4.47Å; M74-C88 HydrophobicContact SD-CB 3.75Å; M74-C88 PolarHBondContact SD-N 3.49Å; M74-I100 HydrophobicContact SD-CG2 4.4Å; M74-F178 HydrophobicContact CE-CD2 3.57Å; M74-F178 HydrophobicContact CE-CE2 3.78Å; M74-F178 HydrophobicContact CG-CD2 3.53Å; M74-F178 HydrophobicContact CG-CE2 3.73Å; M74-F178 HydrophobicContact SD-CD2 4.41Å
75K96.2Very high94.9Very high76 Ų7660.6 Ų60.633%0.3328%0.281SS..Hα-helixtrans-66.1-50.6174.9-78.8177.5171.9-166.90112.7V71 V73 L77 K78 E79 Y91V71-K75 HydrophobicContact CG1-CD 4.08Å; V71-K75 HydrophobicContact CG1-CG 4.4Å; V71-K75 WeakPolarHBondContact O-CB 3.1Å; V71-K75 VanDerWaalsContact O-CG 3.26Å; V71-K75 WeakPolarHBondContact O-CG 3.35Å; V71-K75 PolarHBondContact O-N 2.89Å; V73-K75 VanDerWaalsContact C-N 3.25Å; V73-K75 PolarHBondContact O-N 2.83Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 2.9Å; K75-K78 WeakPolarHBondContact O-CB 3.3Å; K75-K78 PolarHBondContact O-N 3.26Å; K75-K78 VanDerWaalsContact O-N 3.14Å; K75-E79 WeakPolarHBondContact O-CG 3.34Å; K75-E79 PolarHBondContact O-N 2.87Å; K75-Y91 VanDerWaalsContact CE-CZ 3.42Å; K75-Y91 WeakPolarHBondContact CE-OH 3.46Å; K75-Y91 PolarHBondContact NZ-OH 2.95Å
76D95.9Very high95.3Very high20 Ų2056.7 Ų56.711%0.10727%0.267CS..Hα-helixtrans-63.2-39.1179.4-161.81.5000110.3L72 V73 E79 R80 Y151 K183L72-D76 PolarHBondContact O-N 3.45Å; V73-D76 PolarHBondContact O-N 3.14Å; D76-E79 PolarHBondContact O-N 2.82Å; D76-R80 WeakPolarHBondContact O-CB 3.24Å; D76-R80 VanDerWaalsContact O-CG 3.26Å; D76-R80 WeakPolarHBondContact O-CG 3.21Å; D76-R80 PolarHBondContact O-N 2.9Å; D76-R80 VanDerWaalsContact O-N 3.13Å; D76-R80 IonicContact OD1-CZ 3.53Å; D76-R80 IonicContact OD1-NE 2.77Å; D76-R80 PolarHBondContact OD1-NE 3.37Å; D76-R80 IonicContact OD1-NH2 3.38Å; D76-R80 PolarHBondContact OD1-NH2 3.33Å; D76-Y151 HydrophobicContact CB-CE2 3.93Å; D76-Y151 VanDerWaalsContact OD2-CE2 3.3Å; D76-Y151 WeakPolarHBondContact OD2-CE2 3.45Å; D76-Y151 PolarHBondContact OD2-OH 2.98Å; D76-K183 IonicContact OD2-NZ 2.7Å; D76-K183 PolarHBondContact OD2-NZ 3.38Å
77L96.8Very high95.6Very high0 Ų057.1 Ų57.10%027%0.271CS..Hα-helixtrans-61.4-43.6172.8-69.6177.9000112.2V73 K75 R80 N81 A82 C85 L87 M146 C149 F178V73-L77 HydrophobicContact CG1-CD1 3.74Å; V73-L77 HydrophobicContact CG1-CG 4.1Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 2.88Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 2.9Å; L77-R80 CarbonylContact O-C 3.52Å; L77-R80 PolarHBondContact O-N 2.82Å; L77-N81 PolarHBondContact O-N 3.02Å; L77-A82 HydrophobicContact CB-CB 3.87Å; L77-A82 HydrophobicContact CD2-CB 4.14Å; L77-A82 VanDerWaalsContact O-CB 3.29Å; L77-A82 WeakPolarHBondContact O-CB 3.39Å; L77-A82 PolarHBondContact O-N 2.79Å; L77-C85 HydrophobicContact CD1-CB 4.03Å; L77-L87 HydrophobicContact CB-CD2 3.71Å; L77-L87 HydrophobicContact CD1-CD2 4.39Å; L77-M146 HydrophobicContact CD2-CG 4.43Å; L77-C149 HydrophobicContact CD2-CB 3.6Å; L77-F178 HydrophobicContact CD1-CD1 4.46Å; L77-F178 HydrophobicContact CD1-CE1 4.09Å; L77-F178 HydrophobicContact CD1-CE2 4.25Å; L77-F178 HydrophobicContact CD1-CZ 3.99Å
78K96Very high95.7Very high117 Ų11757.3 Ų57.351%0.50927%0.273SS..Hα-helixtrans-62.8-46.9177.1-173.9169.9178.7172.90112.1M74 K75 R80 N81 L87M74-K78 VanDerWaalsContact O-CB 3.26Å; M74-K78 WeakPolarHBondContact O-CB 3.24Å; M74-K78 PolarHBondContact O-N 3.21Å; K75-K78 WeakPolarHBondContact O-CB 3.3Å; K75-K78 PolarHBondContact O-N 3.26Å; K75-K78 VanDerWaalsContact O-N 3.14Å; K78-R80 PolarHBondContact O-N 3.41Å; K78-N81 PolarHBondContact O-N 3.44Å; K78-L87 HydrophobicContact CB-CD1 3.8Å; K78-L87 HydrophobicContact CG-CD1 4.08Å
79E95.7Very high95.8Very high151 Ų15153.2 Ų53.271%0.70626%0.258SS*.Hα-helixtrans-60.5-28.3177.7-73.1171.1-168.500112.2K75 D76K75-E79 WeakPolarHBondContact O-CG 3.34Å; K75-E79 PolarHBondContact O-N 2.87Å; D76-E79 PolarHBondContact O-N 2.82Å
80R94.3Very high96Very high84 Ų8451.8 Ų51.832%0.31725%0.249SC..THydrogen-bonded Turntrans-91.67.5177-66.1173.6-171.8-91.7-11.3114.2D76 L77 K78 A82 C149D76-R80 WeakPolarHBondContact O-CB 3.24Å; D76-R80 VanDerWaalsContact O-CG 3.26Å; D76-R80 WeakPolarHBondContact O-CG 3.21Å; D76-R80 PolarHBondContact O-N 2.9Å; D76-R80 VanDerWaalsContact O-N 3.13Å; D76-R80 IonicContact OD1-CZ 3.53Å; D76-R80 IonicContact OD1-NE 2.77Å; D76-R80 PolarHBondContact OD1-NE 3.37Å; D76-R80 IonicContact OD1-NH2 3.38Å; D76-R80 PolarHBondContact OD1-NH2 3.33Å; L77-R80 CarbonylContact O-C 3.52Å; L77-R80 PolarHBondContact O-N 2.82Å; K78-R80 PolarHBondContact O-N 3.41Å; R80-A82 VanDerWaalsContact C-N 3.35Å; R80-A82 PolarHBondContact O-N 2.73Å; R80-C149 WeakPolarHBondContact CD-SG 3.13Å
81N95.1Very high96.1Very high127 Ų12756.1 Ų56.168%0.67927%0.266SS*.THydrogen-bonded Turntrans5742.5-178.2-63.4-51.9000113.5L77 K78 K83L77-N81 PolarHBondContact O-N 3.02Å; K78-N81 PolarHBondContact O-N 3.44Å; N81-K83 PolarHBondContact O-N 3.18Å
82A95.8Very high96.1Very high6 Ų656.1 Ų56.15%0.0527%0.269CS..  trans-65.2119.5174.400000110.8L77 R80 C85 E145L77-A82 HydrophobicContact CB-CB 3.87Å; L77-A82 HydrophobicContact CD2-CB 4.14Å; L77-A82 VanDerWaalsContact O-CB 3.29Å; L77-A82 WeakPolarHBondContact O-CB 3.39Å; L77-A82 PolarHBondContact O-N 2.79Å; R80-A82 VanDerWaalsContact C-N 3.35Å; R80-A82 PolarHBondContact O-N 2.73Å; A82-C85 HydrophobicContact CB-CB 4.27Å; A82-E145 WeakPolarHBondContact CA-OE1 3.43Å; A82-E145 HydrophobicContact CB-CG 3.92Å
83K95.3Very high96.1Very high159 Ų15960.8 Ų60.869%0.69128%0.28SS*.SBendtrans-93.6-31.9-173.6-64.9-173.2178.6-176.20114.1N81 E145 F174N81-K83 PolarHBondContact O-N 3.18Å; K83-E145 PolarHBondContact N-OE1 3.19Å; K83-E145 PolarHBondContact N-OE2 3.39Å; K83-F174 WeakPolarHBondContact O-CE1 3.48Å
84H96.6Very high96Very high53 Ų5362.3 Ų62.325%0.24529%0.29CS..SBendtrans-10121.8-174.8-44.390.5000112.5S142 E145 F174 I175H84-S142 VanDerWaalsContact CB-OG 3.26Å; H84-S142 WeakPolarHBondContact CB-OG 3.42Å; H84-E145 WeakPolarHBondContact CB-OE2 3.36Å; H84-E145 IonicContact CE1-OE2 3.19Å; H84-E145 IonicContact CG-OE2 2.7Å; H84-E145 PolarHBondContact N-OE2 3.04Å; H84-E145 IonicContact ND1-OE2 3.04Å; H84-E145 PolarHBondContact ND1-OE2 2.7Å; H84-F174 WeakPolarHBondContact O-CA 3.44Å; H84-I175 WeakPolarHBondContact O-CG2 3.46Å; H84-I175 PolarHBondContact O-N 3.3Å
85C97.3Very high95.9Very high7 Ų765.9 Ų65.95%0.04732%0.319CS..BIsolated β-bridgetrans-118136.4176.8-61.80000108.8L77 A82 L87 I175 F178L77-C85 HydrophobicContact CD1-CB 4.03Å; A82-C85 HydrophobicContact CB-CB 4.27Å; C85-L87 HydrophobicContact CB-CD2 4.02Å; C85-L87 WeakPolarHBondContact O-CG 3.5Å; C85-L87 PolarHBondContact O-N 2.9Å; C85-I175 HydrophobicContact CB-CG2 4.2Å; C85-I175 VanDerWaalsContact SG-CG2 3.57Å; C85-F178 HydrophobicContact CB-CZ 3.92Å
86I96.2Very high95.7Very high13 Ų1367.8 Ų67.87%0.06733%0.328CS..PPolyproline II helixtrans-77.4116.7173.1-60.6-58.7000109.7M102 V105 F174 I175 I176 F178I86-M102 HydrophobicContact CG2-CB 3.97Å; I86-M102 HydrophobicContact CG2-CG 4.25Å; I86-M102 HydrophobicContact CG2-SD 4.08Å; I86-V105 HydrophobicContact CD1-CG1 3.49Å; I86-V105 VanDerWaalsContact CD1-CG1 3.49Å; I86-V105 HydrophobicContact CG1-CG1 3.77Å; I86-V105 HydrophobicContact CG2-CG1 4.46Å; I86-F174 HydrophobicContact CD1-CB 3.55Å; I86-F174 HydrophobicContact CD1-CD1 3.94Å; I86-F174 HydrophobicContact CD1-CD2 4.28Å; I86-F174 HydrophobicContact CD1-CG 3.66Å; I86-F174 HydrophobicContact CG1-CB 3.73Å; I86-F174 HydrophobicContact CG1-CG 4.4Å; I86-I175 PolarHBondContact N-O 3.21Å; I86-I176 HydrophobicContact CB-CG2 3.8Å; I86-I176 HydrophobicContact CG1-CG2 3.42Å; I86-I176 VanDerWaalsContact CG1-CG2 3.42Å; I86-F178 WeakPolarHBondContact O-CE2 3.39Å
87L95.5Very high95.7Very high35 Ų3567.1 Ų67.118%0.18332%0.324CS..PPolyproline II helixtrans-103.3149.5-174.5-53.6176000111.2M74 L77 K78 C85 I89 P103M74-L87 HydrophobicContact CB-CD2 4.47Å; L77-L87 HydrophobicContact CB-CD2 3.71Å; L77-L87 HydrophobicContact CD1-CD2 4.39Å; K78-L87 HydrophobicContact CB-CD1 3.8Å; K78-L87 HydrophobicContact CG-CD1 4.08Å; C85-L87 HydrophobicContact CB-CD2 4.02Å; C85-L87 WeakPolarHBondContact O-CG 3.5Å; C85-L87 PolarHBondContact O-N 2.9Å; L87-I89 PolarHBondContact O-N 3.06Å; L87-P103 WeakPolarHBondContact O-CD 3.1Å
88C94.8Very high95.7Very high10 Ų1068.9 Ų68.97%0.06833%0.333CS..PPolyproline II helixtrans-65136176.664.50000112M74 I100 V101M74-C88 HydrophobicContact SD-CB 3.75Å; M74-C88 PolarHBondContact SD-N 3.49Å; C88-I100 HydrophobicContact CB-CG2 3.44Å; C88-I100 VanDerWaalsContact CB-CG2 3.44Å; C88-V101 CarbonylContact C-O 3.56Å
89I96.5Very high95.7Very high78 Ų7864 Ų6440%0.431%0.312SS..SBendtrans-77.8-50.2167.2-60.5170.6000109.2W25 L87 V101 P103W25-I89 HydrophobicContact CH2-CD1 3.78Å; W25-I89 HydrophobicContact CZ2-CD1 3.72Å; W25-I89 HydrophobicContact CZ2-CG2 3.9Å; L87-I89 PolarHBondContact O-N 3.06Å; I89-V101 HydrophobicContact CD1-CG1 4.43Å; I89-V101 PolarHBondContact N-O 3.09Å; I89-P103 HydrophobicContact CD1-CG 4.29Å; I89-P103 HydrophobicContact CG1-CG 4.34Å
90T96.9Very high95.8Very high28 Ų2856.9 Ų56.917%0.17228%0.279CS..EExtended strand (participates in β ladder)trans-152.3165.3177.4-176.40000109.7R23 V101R23-T90 HydrophobicContact CB-CG2 4.34Å; R23-T90 WeakPolarHBondContact CD-OG1 3.17Å; T90-V101 HydrophobicContact CG2-CB 3.71Å; T90-V101 HydrophobicContact CG2-CG1 4.48Å; T90-V101 HydrophobicContact CG2-CG2 3.84Å; T90-V101 PolarHBondContact N-O 3.44Å; T90-V101 PolarHBondContact O-N 3.23Å
91Y97.2Very high95.9Very high94 Ų9452.9 Ų52.937%0.36926%0.263SS..EExtended strand (participates in β ladder)trans-148.8165.8175.357.8-91000109.6R23 V71 K75 Y99R23-Y91 PolarHBondContact NE-O 3.47Å; V71-Y91 HydrophobicContact CG1-CD1 3.78Å; V71-Y91 HydrophobicContact CG1-CD2 4.09Å; V71-Y91 HydrophobicContact CG1-CE1 3.87Å; V71-Y91 HydrophobicContact CG1-CE2 4.18Å; V71-Y91 HydrophobicContact CG1-CG 3.93Å; V71-Y91 HydrophobicContact CG2-CD1 4.31Å; V71-Y91 HydrophobicContact CG2-CD2 4.34Å; V71-Y91 HydrophobicContact CG2-CG 3.91Å; K75-Y91 VanDerWaalsContact CE-CZ 3.42Å; K75-Y91 WeakPolarHBondContact CE-OH 3.46Å; K75-Y91 PolarHBondContact NZ-OH 2.95Å; Y91-Y99 CarbonylContact C-O 3.48Å; Y91-Y99 VanDerWaalsContact CA-O 3.24Å; Y91-Y99 WeakPolarHBondContact CA-O 3.41Å; Y91-Y99 WeakPolarHBondContact CB-O 3.38Å
92G96.4Very high96Very high17 Ų1747.4 Ų47.418%0.17523%0.234CC..EExtended strand (participates in β ladder)trans-173.6-173.6178.300000113.5Y99G92-Y99 VanDerWaalsContact C-CE1 3.41Å; G92-Y99 PolarHBondContact N-O 2.94Å; G92-Y99 WeakPolarHBondContact O-CD1 3.36Å; G92-Y99 PolarHBondContact O-N 2.77Å
93R95.1Very high96Very high198 Ų19849.2 Ų49.275%0.74725%0.245SC*.EExtended strand (participates in β ladder)trans-138.8145.4177.857.2-178.9158.3-174.5-5.3109.3N98R93-N98 WeakPolarHBondContact CB-OD1 3.36Å
94T95.3Very high96Very high34 Ų3442.2 Ų42.221%0.20922%0.215CC..  trans-114.6-175.5171.173.80000109.2F22 R58 K96 F97 Y99F22-T94 HydrophobicContact CD1-CG2 4.12Å; F22-T94 HydrophobicContact CE1-CG2 3.81Å; R58-T94 WeakPolarHBondContact CD-O 3.42Å; R58-T94 PolarHBondContact NH1-O 3.3Å; T94-K96 PolarHBondContact O-N 3.24Å; T94-K96 PolarHBondContact OG1-N 2.94Å; T94-K96 VanDerWaalsContact OG1-N 3.1Å; T94-F97 HydrophobicContact CG2-CD1 4.37Å; T94-F97 HydrophobicContact CG2-CD2 4.19Å; T94-F97 HydrophobicContact CG2-CE1 3.92Å; T94-F97 HydrophobicContact CG2-CE2 3.69Å; T94-F97 HydrophobicContact CG2-CZ 3.54Å; T94-F97 PolarHBondContact N-O 3.31Å; T94-F97 WeakPolarHBondContact OG1-CD1 3.5Å; T94-F97 WeakPolarHBondContact OG1-CE1 3.42Å; T94-F97 PolarHBondContact OG1-N 3.01Å; T94-F97 PolarHBondContact OG1-O 3.37Å; T94-Y99 HydrophobicContact CG2-CD1 4.26Å; T94-Y99 HydrophobicContact CG2-CE1 4.14Å
95A94.4Very high95.9Very high77 Ų7739.9 Ų39.964%0.63621%0.205SC*.SBendtrans-63-27.4169.900000112.4F59F59-A95 WeakPolarHBondContact CE2-O 3.49Å
96K93.6Very high95.7Very high116 Ų11640 Ų4050%0.50421%0.206SC..SBendtrans-107.5-36.3-170.1-62.2179.6179.8-176.20114R58 T94R58-K96 WeakPolarHBondContact CB-O 3.18Å; R58-K96 PolarHBondContact N-O 3.48Å; T94-K96 PolarHBondContact O-N 3.24Å; T94-K96 PolarHBondContact OG1-N 2.94Å; T94-K96 VanDerWaalsContact OG1-N 3.1Å
97F95.5Very high95.6Very high6 Ų639.6 Ų39.63%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-144.9156.4-170.261-92.1000113.1W14 P16 F22 V55 E56 T94 Y99W14-F97 HydrophobicContact CE3-CB 3.78Å; W14-F97 HydrophobicContact CZ3-CB 3.99Å; W14-F97 WeakPolarHBondContact O-CD1 3.24Å; P16-F97 HydrophobicContact CB-CE1 4.35Å; P16-F97 HydrophobicContact CB-CZ 3.98Å; P16-F97 HydrophobicContact CG-CE1 4.02Å; P16-F97 HydrophobicContact CG-CE2 3.86Å; P16-F97 HydrophobicContact CG-CZ 3.55Å; F22-F97 HydrophobicContact CD1-CZ 4.43Å; F22-F97 HydrophobicContact CE1-CE2 4.46Å; F22-F97 AromaticContact CE1-CZ 3.74Å; F22-F97 HydrophobicContact CE1-CZ 3.74Å; F22-F97 HydrophobicContact CE2-CZ 4.17Å; F22-F97 HydrophobicContact CZ-CE1 4.41Å; F22-F97 AromaticContact CZ-CZ 3.6Å; F22-F97 HydrophobicContact CZ-CZ 3.6Å; V55-F97 HydrophobicContact CB-CD2 4.02Å; V55-F97 HydrophobicContact CG1-CD2 3.86Å; V55-F97 HydrophobicContact CG1-CE2 4Å; E56-F97 CarbonylContact O-C 3.6Å; E56-F97 WeakPolarHBondContact O-CA 3.07Å; E56-F97 WeakPolarHBondContact O-CB 3.39Å; T94-F97 HydrophobicContact CG2-CD1 4.37Å; T94-F97 HydrophobicContact CG2-CD2 4.19Å; T94-F97 HydrophobicContact CG2-CE1 3.92Å; T94-F97 HydrophobicContact CG2-CE2 3.69Å; T94-F97 HydrophobicContact CG2-CZ 3.54Å; T94-F97 PolarHBondContact N-O 3.31Å; T94-F97 WeakPolarHBondContact OG1-CD1 3.5Å; T94-F97 WeakPolarHBondContact OG1-CE1 3.42Å; T94-F97 PolarHBondContact OG1-N 3.01Å; T94-F97 PolarHBondContact OG1-O 3.37Å; F97-Y99 HydrophobicContact CD2-CD1 4.19Å; F97-Y99 AromaticContact CE2-CD1 3.81Å; F97-Y99 HydrophobicContact CE2-CD1 3.81Å; F97-Y99 HydrophobicContact CE2-CG 4.28Å
98N95.9Very high95.6Very high37 Ų3738.3 Ų38.320%0.19820%0.198CC..EExtended strand (participates in β ladder)trans-94.4151.5163.6-54.4-47.1000108.6V55 E56 R58 L67 R93V55-N98 VanDerWaalsContact CA-O 3.24Å; V55-N98 WeakPolarHBondContact CA-O 3.39Å; E56-N98 HydrophobicContact CG-CB 3.99Å; E56-N98 PolarHBondContact N-O 3.18Å; E56-N98 PolarHBondContact O-N 2.96Å; E56-N98 PolarHBondContact OE1-ND2 2.93Å; R58-N98 WeakPolarHBondContact CG-OD1 3.27Å; L67-N98 HydrophobicContact CD1-CB 4.18Å; L67-N98 WeakPolarHBondContact CD1-O 3.39Å; R93-N98 WeakPolarHBondContact CB-OD1 3.36Å
99Y96.9Very high95.7Very high14 Ų1437.9 Ų37.96%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-142.5150.4178.668-90.4000113.1F22 R23 M53 K54 Y91 G92 T94 F97 V101F22-Y99 HydrophobicContact CB-CE1 4.37Å; F22-Y99 HydrophobicContact CB-CE2 4.03Å; F22-Y99 HydrophobicContact CD1-CE1 4.28Å; R23-Y99 WeakPolarHBondContact CD-OH 3.26Å; R23-Y99 WeakPolarHBondContact CG-OH 3.45Å; M53-Y99 HydrophobicContact SD-CD2 4.24Å; M53-Y99 HydrophobicContact SD-CG 4.39Å; K54-Y99 CarbonylContact O-C 3.55Å; K54-Y99 VanDerWaalsContact O-CA 3.24Å; K54-Y99 WeakPolarHBondContact O-CA 3.17Å; Y91-Y99 CarbonylContact C-O 3.48Å; Y91-Y99 VanDerWaalsContact CA-O 3.24Å; Y91-Y99 WeakPolarHBondContact CA-O 3.41Å; Y91-Y99 WeakPolarHBondContact CB-O 3.38Å; G92-Y99 VanDerWaalsContact C-CE1 3.41Å; G92-Y99 PolarHBondContact N-O 2.94Å; G92-Y99 WeakPolarHBondContact O-CD1 3.36Å; G92-Y99 PolarHBondContact O-N 2.77Å; T94-Y99 HydrophobicContact CG2-CD1 4.26Å; T94-Y99 HydrophobicContact CG2-CE1 4.14Å; F97-Y99 HydrophobicContact CD2-CD1 4.19Å; F97-Y99 AromaticContact CE2-CD1 3.81Å; F97-Y99 HydrophobicContact CE2-CD1 3.81Å; F97-Y99 HydrophobicContact CE2-CG 4.28Å; Y99-V101 HydrophobicContact CD2-CG2 4.24Å
100I97.1Very high95.7Very high2 Ų235.9 Ų35.91%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-126.1134.6167.3-55.1177.9000107.5M53 K54 L67 E70 V71 M74 C88M53-I100 CarbonylContact C-O 3.56Å; M53-I100 VanDerWaalsContact CA-O 3.25Å; M53-I100 WeakPolarHBondContact CA-O 3.37Å; K54-I100 PolarHBondContact N-O 3.28Å; K54-I100 PolarHBondContact O-N 3.4Å; L67-I100 HydrophobicContact CB-CD1 4.09Å; L67-I100 HydrophobicContact CB-CG1 4.32Å; L67-I100 HydrophobicContact CD1-CG1 4.36Å; L67-I100 HydrophobicContact CD2-CD1 3.67Å; L67-I100 HydrophobicContact CD2-CG1 4.03Å; L67-I100 HydrophobicContact CG-CD1 4.37Å; L67-I100 HydrophobicContact CG-CG1 4.48Å; E70-I100 HydrophobicContact CB-CD1 3.84Å; V71-I100 HydrophobicContact CB-CD1 4.48Å; V71-I100 HydrophobicContact CG2-CD1 3.36Å; V71-I100 HydrophobicContact CG2-CG1 3.55Å; M74-I100 HydrophobicContact SD-CG2 4.4Å; C88-I100 HydrophobicContact CB-CG2 3.44Å; C88-I100 VanDerWaalsContact CB-CG2 3.44Å
101V97.5Very high95.6Very high0 Ų039.9 Ų39.90%020%0.196CC..EExtended strand (participates in β ladder)trans-105131.9167.6-178.40000108.7W25 V42 A52 M53 C88 I89 T90 Y99W25-V101 HydrophobicContact CB-CG2 4.34Å; W25-V101 HydrophobicContact CD2-CG1 3.62Å; W25-V101 HydrophobicContact CE3-CG1 3.97Å; W25-V101 HydrophobicContact CG-CG1 3.91Å; W25-V101 HydrophobicContact CG-CG2 4.22Å; W25-V101 HydrophobicContact CZ2-CG1 4.25Å; W25-V101 HydrophobicContact CZ3-CG1 4.39Å; V42-V101 HydrophobicContact CG2-CG1 3.92Å; A52-V101 CarbonylContact O-C 3.55Å; A52-V101 WeakPolarHBondContact O-CA 3.47Å; M53-V101 HydrophobicContact CB-CG2 4.22Å; M53-V101 HydrophobicContact CG-CG2 4.02Å; M53-V101 HydrophobicContact SD-CG2 4.35Å; C88-V101 CarbonylContact C-O 3.56Å; I89-V101 HydrophobicContact CD1-CG1 4.43Å; I89-V101 PolarHBondContact N-O 3.09Å; T90-V101 HydrophobicContact CG2-CB 3.71Å; T90-V101 HydrophobicContact CG2-CG1 4.48Å; T90-V101 HydrophobicContact CG2-CG2 3.84Å; T90-V101 PolarHBondContact N-O 3.44Å; T90-V101 PolarHBondContact O-N 3.23Å; Y99-V101 HydrophobicContact CD2-CG2 4.24Å
102M96.7Very high95.5Very high11 Ų1135.4 Ų35.45%0.05418%0.179CC..EExtended strand (participates in β ladder)trans-136.5165.6-178.959.3-170.3143.600110.5G51 A52 K54 I86 M338G51-M102 CarbonylContact C-O 3.6Å; G51-M102 WeakPolarHBondContact CA-O 3.33Å; A52-M102 HydrophobicContact CB-CE 4.45Å; A52-M102 HydrophobicContact CB-CG 4.06Å; A52-M102 PolarHBondContact N-O 3.13Å; A52-M102 PolarHBondContact O-N 3.35Å; K54-M102 HydrophobicContact CB-CE 3.76Å; K54-M102 HydrophobicContact CD-CE 4.42Å; I86-M102 HydrophobicContact CG2-CB 3.97Å; I86-M102 HydrophobicContact CG2-CG 4.25Å; I86-M102 HydrophobicContact CG2-SD 4.08Å; M102-M338 HydrophobicContact CE-CE 4.47Å
103P95.2Very high95.5Very high44 Ų4434.6 Ų34.629%0.28617%0.17SC..EExtended strand (participates in β ladder)trans-52.7144171.7-25.735.5000111.4L87 I89L87-P103 WeakPolarHBondContact O-CD 3.1Å; I89-P103 HydrophobicContact CD1-CG 4.29Å; I89-P103 HydrophobicContact CG1-CG 4.34Å
104L94.9Very high95.5Very high12 Ų1227.7 Ų27.76%0.06315%0.15CC..  trans-69.1143.3167.2-168.663.6000108.2I41 L50 A52 Y165 L336I41-L104 HydrophobicContact CG1-CD1 4.37Å; L50-L104 HydrophobicContact CB-CB 4.48Å; L50-L104 HydrophobicContact CB-CD2 3.86Å; L50-L104 HydrophobicContact CD1-CD2 4.08Å; A52-L104 HydrophobicContact CB-CD1 4.23Å; L104-Y165 HydrophobicContact CB-CG 4.39Å; L104-Y165 HydrophobicContact CD2-CD1 4.36Å; L104-Y165 HydrophobicContact CD2-CD2 3.84Å; L104-Y165 HydrophobicContact CD2-CE1 4.15Å; L104-Y165 HydrophobicContact CD2-CE2 3.61Å; L104-Y165 HydrophobicContact CD2-CG 4.22Å; L104-Y165 HydrophobicContact CG-CD2 3.99Å; L104-Y165 HydrophobicContact CG-CE2 4.27Å; L104-Y165 HydrophobicContact CG-CG 4.22Å; L104-Y165 VanDerWaalsContact O-CB 3.26Å; L104-Y165 WeakPolarHBondContact O-CB 3.46Å; L104-L336 HydrophobicContact CD1-CD1 4.36Å; L104-L336 HydrophobicContact CD1-CD2 4.16Å; L104-L336 HydrophobicContact CD2-CD1 4.02Å; L104-L336 HydrophobicContact CD2-CD2 4.26Å; L104-L336 HydrophobicContact CG-CD2 4.15Å
105V94.3Very high95.5Very high5 Ų527.3 Ų27.33%0.0315%0.148CC..EExtended strand (participates in β ladder)trans-126.6163.4-178.3-62.50000109.7I86 T162 L336 M338I86-V105 HydrophobicContact CD1-CG1 3.49Å; I86-V105 VanDerWaalsContact CD1-CG1 3.49Å; I86-V105 HydrophobicContact CG1-CG1 3.77Å; I86-V105 HydrophobicContact CG2-CG1 4.46Å; V105-T162 HydrophobicContact CB-CG2 3.76Å; V105-T162 WeakPolarHBondContact CB-OG1 3.33Å; V105-T162 HydrophobicContact CG1-CG2 4.01Å; V105-T162 HydrophobicContact CG2-CG2 3.77Å; V105-T162 WeakPolarHBondContact CG2-OG1 3.19Å; V105-L336 WeakPolarHBondContact O-CD2 3.37Å; V105-M338 HydrophobicContact CG2-CE 3.85Å; V105-M338 HydrophobicContact CG2-SD 4.47Å
106G93.6Very high95.5Very high8 Ų823.7 Ų23.78%0.08212%0.118CC..EExtended strand (participates in β ladder)trans-78.8-165.5175.400000112.7T162 I163G106-T162 PolarHBondContact O-OG1 2.92Å; G106-I163 PolarHBondContact N-O 2.7Å
107P93.4Very high95.5Very high6 Ų620.6 Ų20.64%0.03911%0.105CC..EExtended strand (participates in β ladder)trans-60.7152.1175.5-19.629.2000112.6R111 L112 T162 I163 F335P107-R111 HydrophobicContact CB-CB 4.16Å; P107-R111 HydrophobicContact CB-CG 4.1Å; P107-L112 HydrophobicContact CB-CD2 4.03Å; P107-L112 HydrophobicContact CB-CG 4.01Å; P107-L112 HydrophobicContact CG-CD2 4.16Å; P107-T162 WeakPolarHBondContact O-CA 3.34Å; P107-T162 PolarHBondContact O-OG1 2.87Å; P107-I163 PolarHBondContact O-N 3.17Å; P107-I163 VanDerWaalsContact O-N 3.17Å; P107-F335 HydrophobicContact CB-CE1 4.39Å; P107-F335 HydrophobicContact CG-CD1 3.16Å; P107-F335 HydrophobicContact CG-CE1 3.07Å; P107-F335 HydrophobicContact CG-CG 4.08Å; P107-F335 HydrophobicContact CG-CZ 3.96Å
108N95.8Very high95.4Very high8 Ų825 Ų254%0.04313%0.129CC..EExtended strand (participates in β ladder)trans-77167168.86833.2000112.2E110 R111 L112 E159 F161 S339N108-E110 VanDerWaalsContact C-N 3.25Å; N108-E110 PolarHBondContact O-N 2.93Å; N108-E110 PolarHBondContact OD1-N 3.19Å; N108-R111 PolarHBondContact O-N 3.39Å; N108-R111 WeakPolarHBondContact OD1-CB 3.32Å; N108-R111 PolarHBondContact OD1-N 2.84Å; N108-L112 WeakPolarHBondContact O-CG 3.47Å; N108-L112 PolarHBondContact O-N 3.38Å; N108-E159 WeakPolarHBondContact CB-O 3.48Å; N108-E159 PolarHBondContact ND2-O 3.05Å; N108-F161 CarbonylContact C-O 3.41Å; N108-F161 WeakPolarHBondContact CA-O 3.44Å; N108-F161 VanDerWaalsContact CB-O 3.28Å; N108-F161 WeakPolarHBondContact CB-O 3.31Å; N108-S339 PolarHBondContact ND2-OG 3.41Å
109L97.7Very high95.3Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-66-26.6-177.2-65.1-178.7000113.1L112 A113 I135 T139 P158 F161 I173 M229 F233 W323L109-L112 HydrophobicContact CD2-CD1 4.29Å; L109-A113 WeakPolarHBondContact O-CB 3.39Å; L109-A113 PolarHBondContact O-N 3.18Å; L109-I135 HydrophobicContact CD1-CG2 3.81Å; L109-I135 HydrophobicContact CD2-CD1 4.34Å; L109-I135 HydrophobicContact CD2-CG1 4.24Å; L109-T139 HydrophobicContact CD1-CG2 4.02Å; L109-P158 HydrophobicContact CB-CB 4.02Å; L109-P158 WeakPolarHBondContact CB-O 3.45Å; L109-P158 PolarHBondContact N-O 3.39Å; L109-P158 VanDerWaalsContact N-O 3.16Å; L109-F161 HydrophobicContact CD1-CB 3.52Å; L109-F161 HydrophobicContact CD1-CD2 4.41Å; L109-F161 HydrophobicContact CD1-CG 4.19Å; L109-F161 HydrophobicContact CG-CB 3.75Å; L109-F161 PolarHBondContact N-O 2.94Å; L109-I173 HydrophobicContact CD2-CD1 4.04Å; L109-M229 HydrophobicContact CD1-SD 4.48Å; L109-F233 HydrophobicContact CB-CZ 4.11Å; L109-F233 HydrophobicContact CD1-CE2 4.43Å; L109-W323 HydrophobicContact CD2-CH2 4.48Å
110E96.4Very high95.2Very high37 Ų3728.5 Ų28.517%0.17315%0.15CC..Hα-helixtrans-66.8-46.6175.2-169.858-155.300110.8N108 L112 A113 V114 P158 E159 R232N108-E110 VanDerWaalsContact C-N 3.25Å; N108-E110 PolarHBondContact O-N 2.93Å; N108-E110 PolarHBondContact OD1-N 3.19Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.88Å; E110-A113 WeakPolarHBondContact O-CB 3.36Å; E110-A113 PolarHBondContact O-N 3.39Å; E110-V114 PolarHBondContact O-N 2.8Å; E110-V114 VanDerWaalsContact O-N 3.09Å; E110-P158 HydrophobicContact CB-CB 3.88Å; E110-P158 WeakPolarHBondContact OE2-CB 3.26Å; E110-E159 HydrophobicContact CB-CG 3.91Å; E110-E159 HydrophobicContact CG-CG 4.36Å; E110-R232 IonicContact OE1-CZ 2.74Å; E110-R232 IonicContact OE1-NH1 3.77Å; E110-R232 PolarHBondContact OE1-NH1 3.35Å; E110-R232 IonicContact OE1-NH2 3.37Å; E110-R232 PolarHBondContact OE1-NH2 3.3Å; E110-R232 IonicContact OE2-CZ 2.63Å; E110-R232 IonicContact OE2-NH1 3.87Å; E110-R232 PolarHBondContact OE2-NH1 2.93Å; E110-R232 IonicContact OE2-NH2 3.51Å
111R94.1Very high95Very high111 Ų11136.4 Ų36.442%0.41919%0.187SC..Hα-helixtrans-63.2-42.2177.2-177.659.9176.7-177.61111.5P107 N108 A113 T115P107-R111 HydrophobicContact CB-CB 4.16Å; P107-R111 HydrophobicContact CB-CG 4.1Å; N108-R111 PolarHBondContact O-N 3.39Å; N108-R111 WeakPolarHBondContact OD1-CB 3.32Å; N108-R111 PolarHBondContact OD1-N 2.84Å; R111-A113 VanDerWaalsContact C-N 3.32Å; R111-T115 WeakPolarHBondContact O-CB 3.12Å; R111-T115 PolarHBondContact O-N 2.88Å; R111-T115 PolarHBondContact O-OG1 3.43Å
112L96.2Very high94.7Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-64.5-38.2174.9-68.5174.9000111.6P107 N108 L109 E110 T115 C116 F127 I163 W323P107-L112 HydrophobicContact CB-CD2 4.03Å; P107-L112 HydrophobicContact CB-CG 4.01Å; P107-L112 HydrophobicContact CG-CD2 4.16Å; N108-L112 WeakPolarHBondContact O-CG 3.47Å; N108-L112 PolarHBondContact O-N 3.38Å; L109-L112 HydrophobicContact CD2-CD1 4.29Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.88Å; L112-T115 PolarHBondContact O-N 2.93Å; L112-C116 VanDerWaalsContact O-CB 3.25Å; L112-C116 WeakPolarHBondContact O-CB 3.22Å; L112-C116 PolarHBondContact O-N 3.47Å; L112-C116 PolarHBondContact O-SG 2.98Å; L112-C116 VanDerWaalsContact O-SG 3.36Å; L112-F127 HydrophobicContact CB-CE1 4Å; L112-F127 HydrophobicContact CB-CZ 3.87Å; L112-I163 HydrophobicContact CD1-CD1 4.24Å; L112-I163 HydrophobicContact CD1-CG1 4.36Å; L112-I163 HydrophobicContact CD1-CG2 3.69Å; L112-W323 HydrophobicContact CD1-CD2 3.94Å; L112-W323 HydrophobicContact CD1-CE3 4.13Å; L112-W323 HydrophobicContact CD1-CG 4.15Å; L112-W323 HydrophobicContact CD2-CB 3.84Å; L112-W323 HydrophobicContact CD2-CG 4.23Å
113A96.5Very high94.3Very high0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-59.6-52178.900000110.7L109 E110 R111 H117 Y126 F127 F233L109-A113 WeakPolarHBondContact O-CB 3.39Å; L109-A113 PolarHBondContact O-N 3.18Å; E110-A113 WeakPolarHBondContact O-CB 3.36Å; E110-A113 PolarHBondContact O-N 3.39Å; R111-A113 VanDerWaalsContact C-N 3.32Å; A113-H117 WeakPolarHBondContact O-CB 3.44Å; A113-H117 PolarHBondContact O-N 2.66Å; A113-Y126 HydrophobicContact CB-CD1 3.73Å; A113-Y126 HydrophobicContact CB-CE1 4.49Å; A113-Y126 HydrophobicContact CB-CG 3.84Å; A113-F127 HydrophobicContact CB-CE2 3.66Å; A113-F127 HydrophobicContact CB-CZ 3.72Å; A113-F233 HydrophobicContact CB-CD1 4.35Å; A113-F233 HydrophobicContact CB-CE1 3.88Å
114V94.6Very high94.2Very high54 Ų5445.1 Ų45.133%0.32723%0.232SC..Hα-helixtrans-59.6-48.8175.9176.40000110.7E110 C116 H117 D118E110-V114 PolarHBondContact O-N 2.8Å; E110-V114 VanDerWaalsContact O-N 3.09Å; V114-C116 PolarHBondContact O-N 3.45Å; V114-H117 PolarHBondContact O-N 2.74Å; V114-D118 VanDerWaalsContact O-CG 3.32Å; V114-D118 PolarHBondContact O-N 2.85Å
115T94.1Very high94.1Very high26 Ų2645.7 Ų45.716%0.1624%0.235CC..Hα-helixtrans-62.9-44.4-175.8-53.30000112.3R111 L112 S119 L326R111-T115 WeakPolarHBondContact O-CB 3.12Å; R111-T115 PolarHBondContact O-N 2.88Å; R111-T115 PolarHBondContact O-OG1 3.43Å; L112-T115 PolarHBondContact O-N 2.93Å; T115-S119 WeakPolarHBondContact O-CB 3.46Å; T115-S119 PolarHBondContact O-N 2.75Å; T115-S119 PolarHBondContact O-OG 2.89Å; T115-L326 HydrophobicContact CG2-CD1 3.77Å
116C95.3Very high94.2Very high0 Ų047.4 Ų47.40%024%0.241CC..Hα-helixtrans-69.4-40.5177.7-72.20000111.8L112 V114 D118 F120 F127 D322L112-C116 VanDerWaalsContact O-CB 3.25Å; L112-C116 WeakPolarHBondContact O-CB 3.22Å; L112-C116 PolarHBondContact O-N 3.47Å; L112-C116 PolarHBondContact O-SG 2.98Å; L112-C116 VanDerWaalsContact O-SG 3.36Å; V114-C116 PolarHBondContact O-N 3.45Å; C116-D118 VanDerWaalsContact C-N 3.34Å; C116-D118 PolarHBondContact O-N 3.19Å; C116-F120 HydrophobicContact CB-CD2 3.97Å; C116-F120 HydrophobicContact CB-CE2 4.14Å; C116-F120 WeakPolarHBondContact O-CB 3.46Å; C116-F120 WeakPolarHBondContact O-CD2 3.19Å; C116-F120 PolarHBondContact O-N 3.37Å; C116-F127 HydrophobicContact CB-CD1 3.76Å; C116-F127 HydrophobicContact CB-CE1 3.84Å; C116-D322 HydrophobicContact CB-CB 4.43Å
117H93.6Very high94.4Very high51 Ų5147 Ų4724%0.23624%0.237CC..Hα-helixtrans-57.3-48.9176.2-176.482000111.5A113 V114 H121 Y122 N125 Y126A113-H117 WeakPolarHBondContact O-CB 3.44Å; A113-H117 PolarHBondContact O-N 2.66Å; V114-H117 PolarHBondContact O-N 2.74Å; H117-H121 WeakPolarHBondContact O-CA 3.36Å; H117-H121 PolarHBondContact O-N 2.84Å; H117-Y122 PolarHBondContact CE1-O 2.71Å; H117-Y122 PolarHBondContact ND1-O 2.72Å; H117-Y122 PolarHBondContact O-N 2.92Å; H117-N125 PolarHBondContact ND1-O 2.76Å; H117-Y126 HydrophobicContact CB-CD1 3.97Å; H117-Y126 PolarHBondContact N-O 2.88Å
118D92.8Very high94.6Very high98 Ų9847.5 Ų47.552%0.52424%0.24SC..Hα-helixtrans-69.2-46.3-179.2-65.3-16.3000111.7V114 C116 F120 H121V114-D118 VanDerWaalsContact O-CG 3.32Å; V114-D118 PolarHBondContact O-N 2.85Å; C116-D118 VanDerWaalsContact C-N 3.34Å; C116-D118 PolarHBondContact O-N 3.19Å; D118-F120 PolarHBondContact O-N 2.79Å; D118-H121 PolarHBondContact O-CE1 2.74Å; D118-H121 PolarHBondContact O-ND1 3.01Å
119S94.1Very high94.6Very high61 Ų6149.4 Ų49.443%0.42725%0.254SS..Hα-helixtrans-70.4-31.5-175-570000113.5T115T115-S119 WeakPolarHBondContact O-CB 3.46Å; T115-S119 PolarHBondContact O-N 2.75Å; T115-S119 PolarHBondContact O-OG 2.89Å
120F94.4Very high94.6Very high65 Ų6550.3 Ų50.329%0.28526%0.257SS..THydrogen-bonded Turntrans-105.16.2-178.6-56.9-57.4000113.3C116 D118 Y122 D322 K325 L326C116-F120 HydrophobicContact CB-CD2 3.97Å; C116-F120 HydrophobicContact CB-CE2 4.14Å; C116-F120 WeakPolarHBondContact O-CB 3.46Å; C116-F120 WeakPolarHBondContact O-CD2 3.19Å; C116-F120 PolarHBondContact O-N 3.37Å; D118-F120 PolarHBondContact O-N 2.79Å; F120-Y122 HydrophobicContact CB-CD2 4.2Å; F120-Y122 HydrophobicContact CB-CE1 4.21Å; F120-Y122 HydrophobicContact CB-CE2 3.82Å; F120-Y122 HydrophobicContact CD2-CE2 4.01Å; F120-Y122 HydrophobicContact CG-CE2 4.35Å; F120-Y122 PolarHBondContact O-N 3.46Å; F120-D322 HydrophobicContact CD2-CB 4.23Å; F120-D322 HydrophobicContact CE2-CB 3.8Å; F120-D322 WeakPolarHBondContact CE2-O 3.5Å; F120-D322 WeakPolarHBondContact CZ-O 3.32Å; F120-K325 HydrophobicContact CE1-CB 4.37Å; F120-K325 HydrophobicContact CZ-CB 3.97Å; F120-K325 HydrophobicContact CZ-CD 4.43Å; F120-L326 HydrophobicContact CE1-CD2 4.31Å; F120-L326 HydrophobicContact CE2-CD2 3.89Å; F120-L326 HydrophobicContact CE2-CG 4.19Å; F120-L326 HydrophobicContact CZ-CD2 3.54Å; F120-L326 HydrophobicContact CZ-CG 4Å
121H93Very high94.7Very high167 Ų16748.5 Ų48.577%0.77325%0.249SC*.THydrogen-bonded Turntrans48.543.5179-55.9-58.9000113H117 D118 S123H117-H121 WeakPolarHBondContact O-CA 3.36Å; H117-H121 PolarHBondContact O-N 2.84Å; D118-H121 PolarHBondContact O-CE1 2.74Å; D118-H121 PolarHBondContact O-ND1 3.01Å; H121-S123 PolarHBondContact O-N 3.11Å
122Y90.9Very high94.9Very high49 Ų4943.3 Ų43.319%0.19223%0.229CC..  trans-64.4134.9175.3-69.1-49000109.5H117 F120 R124 N125 Y126 S128 D322H117-Y122 PolarHBondContact CE1-O 2.71Å; H117-Y122 PolarHBondContact ND1-O 2.72Å; H117-Y122 PolarHBondContact O-N 2.92Å; F120-Y122 HydrophobicContact CB-CD2 4.2Å; F120-Y122 HydrophobicContact CB-CE1 4.21Å; F120-Y122 HydrophobicContact CB-CE2 3.82Å; F120-Y122 HydrophobicContact CD2-CE2 4.01Å; F120-Y122 HydrophobicContact CG-CE2 4.35Å; F120-Y122 PolarHBondContact O-N 3.46Å; Y122-R124 VanDerWaalsContact C-N 3.31Å; Y122-R124 PolarHBondContact O-N 2.99Å; Y122-N125 WeakPolarHBondContact CB-O 3.37Å; Y122-N125 VanDerWaalsContact CD1-ND2 3.32Å; Y122-N125 WeakPolarHBondContact CD1-ND2 3.27Å; Y122-Y126 WeakPolarHBondContact CD2-O 3.28Å; Y122-S128 PolarHBondContact OH-N 2.93Å; Y122-D322 PolarHBondContact OH-OD1 3.29Å; Y122-D322 PolarHBondContact OH-OD2 3.26Å
123S89.2Confident95Very high117 Ų11743.4 Ų43.482%0.81823%0.229SC*.SBendtrans-73.8-23.7-175.457.20000113.8H121H121-S123 PolarHBondContact O-N 3.11Å
124R92.7Very high95.1Very high72 Ų7245 Ų4527%0.27224%0.237SC..SBendtrans-155.2-50.9-170.4-177.9176.657.470.412112.9Y122 Y234 S235 G236Y122-R124 VanDerWaalsContact C-N 3.31Å; Y122-R124 PolarHBondContact O-N 2.99Å; R124-Y234 PolarHBondContact NH1-O 3.44Å; R124-S235 WeakPolarHBondContact CG-O 3.39Å; R124-G236 WeakPolarHBondContact O-CA 3.41Å; R124-G236 PolarHBondContact O-N 3.31Å
125N94.1Very high95.3Very high24 Ų2442.4 Ų42.413%0.12822%0.221CC..  trans-66.7151.6175.653.3-67.3000110.5H117 Y122 F127 F233H117-N125 PolarHBondContact ND1-O 2.76Å; Y122-N125 WeakPolarHBondContact CB-O 3.37Å; Y122-N125 VanDerWaalsContact CD1-ND2 3.32Å; Y122-N125 WeakPolarHBondContact CD1-ND2 3.27Å; N125-F127 WeakPolarHBondContact CB-O 3.48Å; N125-F127 PolarHBondContact ND2-O 3.48Å; N125-F233 VanDerWaalsContact CA-O 3.29Å; N125-F233 WeakPolarHBondContact CA-O 3.28Å
126Y96.5Very high95.5Very high41 Ų4141.2 Ų41.216%0.16121%0.214CC..SBendtrans-84.1-26.7174.4-78-75.1000112.6A113 H117 Y122 R232 F233 G236A113-Y126 HydrophobicContact CB-CD1 3.73Å; A113-Y126 HydrophobicContact CB-CE1 4.49Å; A113-Y126 HydrophobicContact CB-CG 3.84Å; H117-Y126 HydrophobicContact CB-CD1 3.97Å; H117-Y126 PolarHBondContact N-O 2.88Å; Y122-Y126 WeakPolarHBondContact CD2-O 3.28Å; Y126-R232 HydrophobicContact CE2-CG 4.25Å; Y126-R232 PolarHBondContact OH-NH2 3.25Å; Y126-R232 VanDerWaalsContact OH-NH2 3.08Å; Y126-F233 HydrophobicContact CD2-CD1 4.1Å; Y126-F233 HydrophobicContact CG-CD1 4.34Å; Y126-F233 PolarHBondContact N-O 2.78Å; Y126-G236 VanDerWaalsContact CE2-O 3.3Å; Y126-G236 WeakPolarHBondContact CE2-O 3.46Å; Y126-G236 PolarHBondContact OH-O 3.41Å
127F97.5Very high95.7Very high0 Ų042 Ų420%022%0.218CC..SBendtrans-140.4159.1-178.1-60.4-72.4000110L112 A113 C116 N125 T131 I132 I135 F233 D322 W323L112-F127 HydrophobicContact CB-CE1 4Å; L112-F127 HydrophobicContact CB-CZ 3.87Å; A113-F127 HydrophobicContact CB-CE2 3.66Å; A113-F127 HydrophobicContact CB-CZ 3.72Å; C116-F127 HydrophobicContact CB-CD1 3.76Å; C116-F127 HydrophobicContact CB-CE1 3.84Å; N125-F127 WeakPolarHBondContact CB-O 3.48Å; N125-F127 PolarHBondContact ND2-O 3.48Å; F127-T131 HydrophobicContact CB-CG2 3.7Å; F127-T131 HydrophobicContact CD1-CG2 3.72Å; F127-T131 HydrophobicContact CE1-CG2 4.46Å; F127-T131 HydrophobicContact CG-CG2 3.78Å; F127-I132 HydrophobicContact CB-CD1 4.46Å; F127-I132 HydrophobicContact CB-CG1 3.75Å; F127-I132 WeakPolarHBondContact O-CD1 3.33Å; F127-I135 HydrophobicContact CD2-CD1 3.58Å; F127-I135 HydrophobicContact CE2-CD1 3.52Å; F127-I135 HydrophobicContact CG-CD1 4.18Å; F127-I135 HydrophobicContact CZ-CD1 4.08Å; F127-F233 HydrophobicContact CD2-CB 4.35Å; F127-F233 HydrophobicContact CD2-CD1 4.11Å; F127-F233 HydrophobicContact CD2-CD2 4.38Å; F127-F233 HydrophobicContact CD2-CE1 4.49Å; F127-F233 HydrophobicContact CD2-CG 4.06Å; F127-F233 AromaticContact CE2-CD1 3.95Å; F127-F233 HydrophobicContact CE2-CD1 3.95Å; F127-F233 HydrophobicContact CE2-CD2 4.38Å; F127-F233 AromaticContact CE2-CE1 3.89Å; F127-F233 HydrophobicContact CE2-CE1 3.89Å; F127-F233 HydrophobicContact CE2-CE2 4.3Å; F127-F233 HydrophobicContact CE2-CG 4.21Å; F127-F233 HydrophobicContact CE2-CZ 4.05Å; F127-D322 VanDerWaalsContact CA-OD2 3.23Å; F127-D322 WeakPolarHBondContact CA-OD2 3.32Å; F127-D322 WeakPolarHBondContact CB-OD2 3.02Å; F127-D322 HydrophobicContact CD1-CB 4.47Å; F127-W323 HydrophobicContact CD1-CE3 4.35Å; F127-W323 HydrophobicContact CD1-CZ3 4.42Å; F127-W323 AromaticContact CE1-CE3 3.89Å; F127-W323 HydrophobicContact CE1-CE3 3.89Å; F127-W323 HydrophobicContact CE1-CZ3 4.08Å; F127-W323 HydrophobicContact CZ-CZ3 4.43Å
128S96.4Very high95.9Very high16 Ų1641.1 Ų41.111%0.11221%0.214CC..  trans-56.2151.4168.370.30000111.2Y122 Y130 T131 I132 D322Y122-S128 PolarHBondContact OH-N 2.93Å; S128-Y130 PolarHBondContact O-N 2.8Å; S128-Y130 VanDerWaalsContact O-N 3.12Å; S128-T131 PolarHBondContact O-N 2.97Å; S128-T131 PolarHBondContact OG-N 3.38Å; S128-T131 PolarHBondContact OG-OG1 3.04Å; S128-I132 WeakPolarHBondContact O-CG1 3.45Å; S128-I132 PolarHBondContact O-N 3.23Å; S128-D322 VanDerWaalsContact CB-OD1 3.29Å; S128-D322 WeakPolarHBondContact CB-OD1 3.29Å; S128-D322 PolarHBondContact N-OD2 3.08Å; S128-D322 PolarHBondContact OG-OD1 3.03Å; S128-D322 PolarHBondContact OG-OD2 3.39Å
129P96.8Very high96.2Very high49 Ų4936.4 Ų36.432%0.31819%0.189SC..Hα-helixtrans-52.6-36.9178.2-30.136.7000113.8I132 L133 Y234 L312P129-I132 PolarHBondContact O-N 2.96Å; P129-L133 VanDerWaalsContact O-CG 3.26Å; P129-L133 WeakPolarHBondContact O-CG 3.44Å; P129-L133 PolarHBondContact O-N 3.5Å; P129-L133 VanDerWaalsContact O-N 3.14Å; P129-Y234 HydrophobicContact CB-CE1 3.96Å; P129-Y234 HydrophobicContact CG-CE1 4.32Å; P129-Y234 PolarHBondContact O-OH 3.29Å; P129-L312 HydrophobicContact CB-CD1 3.95Å; P129-L312 HydrophobicContact CB-CD2 4.4Å
130Y97.7Very high96.4Very high18 Ų1833.5 Ų33.57%0.07117%0.168CC..Hα-helixtrans-64.4-47.1177.6176.9-98.9000111.8S128 I132 L133 Q134 I309 T319 I321S128-Y130 PolarHBondContact O-N 2.8Å; S128-Y130 VanDerWaalsContact O-N 3.12Å; Y130-I132 VanDerWaalsContact C-N 3.34Å; Y130-I132 PolarHBondContact O-N 3.12Å; Y130-L133 PolarHBondContact O-N 3.4Å; Y130-Q134 HydrophobicContact CD1-CG 4.15Å; Y130-Q134 HydrophobicContact CE1-CG 3.71Å; Y130-Q134 HydrophobicContact CE2-CG 4.2Å; Y130-Q134 WeakPolarHBondContact O-CG 3.48Å; Y130-Q134 PolarHBondContact O-N 2.92Å; Y130-Q134 PolarHBondContact OH-NE2 3.32Å; Y130-I309 HydrophobicContact CD2-CG2 4.22Å; Y130-I309 HydrophobicContact CE2-CG2 3.84Å; Y130-T319 VanDerWaalsContact CD1-C 3.49Å; Y130-T319 HydrophobicContact CD2-CG2 3.96Å; Y130-T319 WeakPolarHBondContact CE1-O 3.3Å; Y130-T319 HydrophobicContact CE2-CG2 3.87Å; Y130-T319 PolarHBondContact OH-O 3.46Å; Y130-T319 VanDerWaalsContact OH-O 3.05Å; Y130-I321 HydrophobicContact CE1-CG1 4.14Å
131T98.3Very high96.6Very high0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-61.8-40.7178-65.40000111.6F127 S128 L133 Q134 I135 I321 D322 W323F127-T131 HydrophobicContact CB-CG2 3.7Å; F127-T131 HydrophobicContact CD1-CG2 3.72Å; F127-T131 HydrophobicContact CE1-CG2 4.46Å; F127-T131 HydrophobicContact CG-CG2 3.78Å; S128-T131 PolarHBondContact O-N 2.97Å; S128-T131 PolarHBondContact OG-N 3.38Å; S128-T131 PolarHBondContact OG-OG1 3.04Å; T131-L133 VanDerWaalsContact C-N 3.34Å; T131-L133 PolarHBondContact O-N 3.35Å; T131-Q134 PolarHBondContact O-N 3.03Å; T131-I135 HydrophobicContact CG2-CD1 4.06Å; T131-I135 HydrophobicContact CG2-CG1 4.48Å; T131-I135 WeakPolarHBondContact O-CB 3.41Å; T131-I135 VanDerWaalsContact O-CG1 3.3Å; T131-I135 WeakPolarHBondContact O-CG1 3.26Å; T131-I135 PolarHBondContact O-N 3.11Å; T131-I321 HydrophobicContact CG2-CG2 4.41Å; T131-D322 WeakPolarHBondContact CB-OD2 3.36Å; T131-D322 HydrophobicContact CG2-CB 4.39Å; T131-D322 PolarHBondContact OG1-N 3.36Å; T131-D322 PolarHBondContact OG1-OD1 3.49Å; T131-D322 PolarHBondContact OG1-OD2 2.88Å; T131-W323 HydrophobicContact CG2-CE3 3.84Å; T131-W323 HydrophobicContact CG2-CH2 4.04Å; T131-W323 HydrophobicContact CG2-CZ3 3.26Å
132I98.5Very high96.8Very high1 Ų124.3 Ų24.31%0.00513%0.128CC..Hα-helixtrans-62.1-41.5176.4-57.1169.9000111.4F127 S128 P129 Y130 I135 G136 L230 F233 Y234F127-I132 HydrophobicContact CB-CD1 4.46Å; F127-I132 HydrophobicContact CB-CG1 3.75Å; F127-I132 WeakPolarHBondContact O-CD1 3.33Å; S128-I132 WeakPolarHBondContact O-CG1 3.45Å; S128-I132 PolarHBondContact O-N 3.23Å; P129-I132 PolarHBondContact O-N 2.96Å; Y130-I132 VanDerWaalsContact C-N 3.34Å; Y130-I132 PolarHBondContact O-N 3.12Å; I132-I135 WeakPolarHBondContact O-CB 3.48Å; I132-I135 PolarHBondContact O-N 2.75Å; I132-G136 PolarHBondContact O-N 2.96Å; I132-L230 HydrophobicContact CG2-CB 4.49Å; I132-L230 HydrophobicContact CG2-CD2 4.17Å; I132-F233 HydrophobicContact CD1-CB 4.02Å; I132-F233 WeakPolarHBondContact CD1-O 3.38Å; I132-F233 HydrophobicContact CG1-CB 3.93Å; I132-F233 HydrophobicContact CG2-CB 4.03Å; I132-Y234 HydrophobicContact CB-CD2 4.41Å; I132-Y234 HydrophobicContact CB-CE2 3.92Å; I132-Y234 HydrophobicContact CD1-CD1 3.62Å; I132-Y234 HydrophobicContact CD1-CD2 4.06Å; I132-Y234 HydrophobicContact CD1-CE1 3.77Å; I132-Y234 HydrophobicContact CD1-CE2 4.21Å; I132-Y234 HydrophobicContact CD1-CG 3.75Å; I132-Y234 HydrophobicContact CG2-CD2 3.64Å; I132-Y234 HydrophobicContact CG2-CE2 3.37Å; I132-Y234 HydrophobicContact CG2-CG 4.42Å
133L98.6Very high97.2Very high2 Ų222 Ų221%0.0112%0.119CC..Hα-helixtrans-66.9-38.5177.3-65.2167.3000111.8P129 Y130 T131 G136 L137 Y234 F280 L305 E308 I309 L312P129-L133 VanDerWaalsContact O-CG 3.26Å; P129-L133 WeakPolarHBondContact O-CG 3.44Å; P129-L133 PolarHBondContact O-N 3.5Å; P129-L133 VanDerWaalsContact O-N 3.14Å; Y130-L133 PolarHBondContact O-N 3.4Å; T131-L133 VanDerWaalsContact C-N 3.34Å; T131-L133 PolarHBondContact O-N 3.35Å; L133-G136 WeakPolarHBondContact O-CA 3.38Å; L133-G136 PolarHBondContact O-N 2.86Å; L133-L137 PolarHBondContact O-N 3.37Å; L133-Y234 WeakPolarHBondContact CG-OH 3.49Å; L133-F280 HydrophobicContact CD2-CE2 4.31Å; L133-L305 HydrophobicContact CD2-CB 4.46Å; L133-L305 HydrophobicContact CD2-CD2 3.63Å; L133-E308 HydrophobicContact CD1-CB 3.64Å; L133-E308 HydrophobicContact CD2-CB 3.93Å; L133-E308 HydrophobicContact CD2-CG 4.49Å; L133-E308 HydrophobicContact CG-CB 4.46Å; L133-I309 HydrophobicContact CB-CD1 3.95Å; L133-I309 HydrophobicContact CB-CG1 3.67Å; L133-I309 HydrophobicContact CD1-CG1 3.75Å; L133-I309 HydrophobicContact CG-CG1 4.33Å; L133-L312 HydrophobicContact CD1-CD1 3.63Å
134Q98.4Very high97.6Very high34 Ų3420.7 Ų20.716%0.15910%0.096CC..Hα-helixtrans-66-42.6175.6-71.9-73.439.600112.4Y130 T131 G136 L137 K138Y130-Q134 HydrophobicContact CD1-CG 4.15Å; Y130-Q134 HydrophobicContact CE1-CG 3.71Å; Y130-Q134 HydrophobicContact CE2-CG 4.2Å; Y130-Q134 WeakPolarHBondContact O-CG 3.48Å; Y130-Q134 PolarHBondContact O-N 2.92Å; Y130-Q134 PolarHBondContact OH-NE2 3.32Å; T131-Q134 PolarHBondContact O-N 3.03Å; Q134-G136 VanDerWaalsContact C-N 3.29Å; Q134-G136 PolarHBondContact O-N 3.12Å; Q134-L137 PolarHBondContact O-N 3.05Å; Q134-K138 WeakPolarHBondContact O-CG 3.37Å; Q134-K138 PolarHBondContact O-N 2.75Å
135I98.8Very high97.8Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-53.8-50.7168.4-72.8167.5000109.1L109 F127 T131 I132 L137 K138 T139 I173 M229 L230 F233 W323L109-I135 HydrophobicContact CD1-CG2 3.81Å; L109-I135 HydrophobicContact CD2-CD1 4.34Å; L109-I135 HydrophobicContact CD2-CG1 4.24Å; F127-I135 HydrophobicContact CD2-CD1 3.58Å; F127-I135 HydrophobicContact CE2-CD1 3.52Å; F127-I135 HydrophobicContact CG-CD1 4.18Å; F127-I135 HydrophobicContact CZ-CD1 4.08Å; T131-I135 HydrophobicContact CG2-CD1 4.06Å; T131-I135 HydrophobicContact CG2-CG1 4.48Å; T131-I135 WeakPolarHBondContact O-CB 3.41Å; T131-I135 VanDerWaalsContact O-CG1 3.3Å; T131-I135 WeakPolarHBondContact O-CG1 3.26Å; T131-I135 PolarHBondContact O-N 3.11Å; I132-I135 WeakPolarHBondContact O-CB 3.48Å; I132-I135 PolarHBondContact O-N 2.75Å; I135-L137 PolarHBondContact O-N 3.13Å; I135-K138 PolarHBondContact O-N 2.83Å; I135-T139 HydrophobicContact CG2-CG2 4.12Å; I135-T139 WeakPolarHBondContact O-CB 3.26Å; I135-T139 VanDerWaalsContact O-CG2 3.28Å; I135-T139 WeakPolarHBondContact O-CG2 3.4Å; I135-T139 PolarHBondContact O-N 3.28Å; I135-T139 PolarHBondContact O-OG1 3.49Å; I135-I173 HydrophobicContact CB-CD1 4.4Å; I135-I173 HydrophobicContact CG1-CD1 4.03Å; I135-M229 HydrophobicContact CG2-CE 4.31Å; I135-L230 HydrophobicContact CG2-CD2 3.93Å; I135-F233 HydrophobicContact CD1-CD2 4.24Å; I135-F233 HydrophobicContact CD1-CE2 4.14Å; I135-F233 HydrophobicContact CG2-CD2 4.19Å; I135-F233 HydrophobicContact CG2-CE2 3.85Å; I135-W323 HydrophobicContact CD1-CH2 4.32Å; I135-W323 HydrophobicContact CD1-CZ3 3.98Å; I135-W323 HydrophobicContact CG1-CH2 3.86Å; I135-W323 HydrophobicContact CG1-CZ3 4.04Å
136G98.8Very high97.9Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-53.5-48.8179.100000113.1I132 L133 Q134 T139 L140 W226I132-G136 PolarHBondContact O-N 2.96Å; L133-G136 WeakPolarHBondContact O-CA 3.38Å; L133-G136 PolarHBondContact O-N 2.86Å; Q134-G136 VanDerWaalsContact C-N 3.29Å; Q134-G136 PolarHBondContact O-N 3.12Å; G136-T139 PolarHBondContact O-OG1 3.07Å; G136-L140 WeakPolarHBondContact O-CB 3.29Å; G136-L140 PolarHBondContact O-N 3.18Å; G136-L140 VanDerWaalsContact O-N 3.07Å; G136-W226 PolarHBondContact O-NE1 3.09Å
137L98.6Very high98Very high18 Ų1816.1 Ų16.19%0.0948%0.078CC..Hα-helixtrans-63.8-49.7179.1-74.6175.4000112.8L133 Q134 I135 N141 I302 L305 E306 I309L133-L137 PolarHBondContact O-N 3.37Å; Q134-L137 PolarHBondContact O-N 3.05Å; I135-L137 PolarHBondContact O-N 3.13Å; L137-N141 PolarHBondContact O-N 2.93Å; L137-N141 PolarHBondContact O-ND2 2.99Å; L137-I302 HydrophobicContact CD2-CB 4.19Å; L137-I302 HydrophobicContact CD2-CG1 4.2Å; L137-I302 HydrophobicContact CD2-CG2 3.91Å; L137-L305 HydrophobicContact CD2-CB 3.84Å; L137-L305 HydrophobicContact CD2-CD1 4.07Å; L137-L305 HydrophobicContact CG-CB 4.05Å; L137-L305 HydrophobicContact CG-CD1 4.13Å; L137-E306 HydrophobicContact CD1-CG 4.24Å; L137-E306 HydrophobicContact CD2-CG 4.24Å; L137-I309 HydrophobicContact CD1-CD1 3.53Å
138K98.5Very high97.9Very high31 Ų3125.5 Ų25.514%0.13511%0.114CC..Hα-helixtrans-69-46-174.9-71.1173.6175.9-89.40111.6Q134 I135 L140 N141 S142 A171 E172 I173Q134-K138 WeakPolarHBondContact O-CG 3.37Å; Q134-K138 PolarHBondContact O-N 2.75Å; I135-K138 PolarHBondContact O-N 2.83Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.46Å; K138-N141 WeakPolarHBondContact O-CB 3.18Å; K138-N141 PolarHBondContact O-N 3.18Å; K138-N141 VanDerWaalsContact O-N 3.17Å; K138-S142 PolarHBondContact O-N 3.47Å; K138-S142 VanDerWaalsContact O-N 3.09Å; K138-S142 PolarHBondContact O-OG 3.1Å; K138-S142 VanDerWaalsContact O-OG 3.14Å; K138-A171 WeakPolarHBondContact CD-O 3.44Å; K138-A171 WeakPolarHBondContact CE-O 3.5Å; K138-A171 PolarHBondContact NZ-O 3.05Å; K138-E172 IonicContact NZ-OE1 3.57Å; K138-E172 PolarHBondContact NZ-OE1 3.29Å; K138-E172 IonicContact NZ-OE2 2.69Å; K138-E172 PolarHBondContact NZ-OE2 3.13Å; K138-I173 HydrophobicContact CB-CB 4.02Å; K138-I173 HydrophobicContact CB-CD1 4.01Å; K138-I173 HydrophobicContact CB-CG1 4.25Å; K138-I173 HydrophobicContact CD-CD1 4.13Å; K138-I173 HydrophobicContact CD-CG1 4.1Å
139T98.8Very high97.9Very high0 Ų025 Ų250%011%0.11CC..Hα-helixtrans-64.6-37.7177.257.80000112.2L109 I135 G136 N141 S142 I143 F161 I173 W226 M229L109-T139 HydrophobicContact CD1-CG2 4.02Å; I135-T139 HydrophobicContact CG2-CG2 4.12Å; I135-T139 WeakPolarHBondContact O-CB 3.26Å; I135-T139 VanDerWaalsContact O-CG2 3.28Å; I135-T139 WeakPolarHBondContact O-CG2 3.4Å; I135-T139 PolarHBondContact O-N 3.28Å; I135-T139 PolarHBondContact O-OG1 3.49Å; G136-T139 PolarHBondContact O-OG1 3.07Å; T139-N141 VanDerWaalsContact C-N 3.32Å; T139-N141 PolarHBondContact O-N 3.31Å; T139-S142 PolarHBondContact O-N 3.29Å; T139-I143 VanDerWaalsContact O-CG1 3.31Å; T139-I143 WeakPolarHBondContact O-CG1 3.23Å; T139-I143 PolarHBondContact O-N 2.77Å; T139-F161 HydrophobicContact CG2-CB 4.37Å; T139-F161 HydrophobicContact CG2-CD1 3.62Å; T139-F161 HydrophobicContact CG2-CD2 4.02Å; T139-F161 HydrophobicContact CG2-CE1 3.77Å; T139-F161 HydrophobicContact CG2-CE2 4.18Å; T139-F161 HydrophobicContact CG2-CG 3.74Å; T139-F161 HydrophobicContact CG2-CZ 4.06Å; T139-I173 HydrophobicContact CG2-CD1 4.46Å; T139-I173 HydrophobicContact CG2-CG2 3.97Å; T139-W226 VanDerWaalsContact OG1-CD1 3.25Å; T139-W226 PolarHBondContact OG1-NE1 2.68Å; T139-M229 HydrophobicContact CG2-CE 3.92Å
140L98.7Very high97.9Very high0 Ų023.9 Ų23.90%010%0.1CC..Hα-helixtrans-63.4-38.3174.3-178.861.2000111.9G136 K138 I143 R144 M223 W226 Y298 F301 I302G136-L140 WeakPolarHBondContact O-CB 3.29Å; G136-L140 PolarHBondContact O-N 3.18Å; G136-L140 VanDerWaalsContact O-N 3.07Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.46Å; L140-I143 PolarHBondContact O-N 3.3Å; L140-R144 VanDerWaalsContact O-CB 3.28Å; L140-R144 WeakPolarHBondContact O-CB 3.25Å; L140-R144 PolarHBondContact O-N 2.87Å; L140-M223 HydrophobicContact CD1-CE 3.53Å; L140-M223 HydrophobicContact CD1-SD 3.56Å; L140-M223 VanDerWaalsContact CD1-SD 3.56Å; L140-W226 HydrophobicContact CB-CZ2 4.02Å; L140-W226 HydrophobicContact CD1-CD2 4.49Å; L140-W226 HydrophobicContact CD1-CZ2 4.43Å; L140-W226 HydrophobicContact CD2-CH2 4.26Å; L140-W226 HydrophobicContact CD2-CZ2 3.98Å; L140-W226 HydrophobicContact CG-CZ2 4.38Å; L140-Y298 HydrophobicContact CD1-CD1 3.91Å; L140-F301 HydrophobicContact CD2-CB 3.68Å; L140-I302 HydrophobicContact CD2-CG1 3.77Å
141N97.6Very high97.9Very high38 Ų3824.1 Ų24.120%0.20310%0.101CC..Hα-helixtrans-64.5-42.3175.3-78-31.9000112L137 K138 T139 R144 E145L137-N141 PolarHBondContact O-N 2.93Å; L137-N141 PolarHBondContact O-ND2 2.99Å; K138-N141 WeakPolarHBondContact O-CB 3.18Å; K138-N141 PolarHBondContact O-N 3.18Å; K138-N141 VanDerWaalsContact O-N 3.17Å; T139-N141 VanDerWaalsContact C-N 3.32Å; T139-N141 PolarHBondContact O-N 3.31Å; N141-R144 PolarHBondContact O-N 2.77Å; N141-R144 PolarHBondContact OD1-NH2 2.89Å; N141-E145 WeakPolarHBondContact O-CB 3.45Å; N141-E145 PolarHBondContact O-N 3.24Å
142S97.6Very high97.9Very high0 Ų024.1 Ų24.10%010%0.101CC..Hα-helixtrans-62.2-45175-45.30000111.8H84 K138 T139 R144 E145 M146H84-S142 VanDerWaalsContact CB-OG 3.26Å; H84-S142 WeakPolarHBondContact CB-OG 3.42Å; K138-S142 PolarHBondContact O-N 3.47Å; K138-S142 VanDerWaalsContact O-N 3.09Å; K138-S142 PolarHBondContact O-OG 3.1Å; K138-S142 VanDerWaalsContact O-OG 3.14Å; T139-S142 PolarHBondContact O-N 3.29Å; S142-R144 PolarHBondContact O-N 3.06Å; S142-E145 WeakPolarHBondContact O-CB 3.47Å; S142-E145 PolarHBondContact O-N 2.95Å; S142-M146 PolarHBondContact O-N 3.1Å
143I98.6Very high97.8Very high1 Ų124.1 Ų24.11%0.00510%0.101CC..Hα-helixtrans-61.9-45.2176.3-70.1167.5000110.8T139 L140 E145 M146 H147 V156 F161 D222 M223 W226T139-I143 VanDerWaalsContact O-CG1 3.31Å; T139-I143 WeakPolarHBondContact O-CG1 3.23Å; T139-I143 PolarHBondContact O-N 2.77Å; L140-I143 PolarHBondContact O-N 3.3Å; I143-E145 VanDerWaalsContact C-N 3.27Å; I143-E145 PolarHBondContact O-N 3.05Å; I143-M146 PolarHBondContact O-N 3.03Å; I143-H147 WeakPolarHBondContact CG2-CE1 3.45Å; I143-H147 WeakPolarHBondContact CG2-ND1 3.23Å; I143-H147 WeakPolarHBondContact O-CB 3.35Å; I143-H147 PolarHBondContact O-N 3.39Å; I143-H147 PolarHBondContact O-ND1 3.36Å; I143-H147 VanDerWaalsContact O-ND1 3.12Å; I143-V156 HydrophobicContact CD1-CG1 3.9Å; I143-V156 HydrophobicContact CD1-CG2 4.22Å; I143-V156 HydrophobicContact CG1-CG2 4.39Å; I143-F161 HydrophobicContact CD1-CZ 4.11Å; I143-F161 HydrophobicContact CG1-CZ 4.15Å; I143-D222 HydrophobicContact CG2-CB 4.2Å; I143-M223 HydrophobicContact CG2-SD 4.31Å; I143-W226 HydrophobicContact CD1-CB 3.77Å; I143-W226 HydrophobicContact CD1-CG 4.13Å
144R97.9Very high97.8Very high89 Ų8925.5 Ų25.534%0.33611%0.106SC..Hα-helixtrans-58.6-40176.1179.8179.568.2-179.3-1.2111.7L140 N141 S142 H147 R148 Y298 N299L140-R144 VanDerWaalsContact O-CB 3.28Å; L140-R144 WeakPolarHBondContact O-CB 3.25Å; L140-R144 PolarHBondContact O-N 2.87Å; N141-R144 PolarHBondContact O-N 2.77Å; N141-R144 PolarHBondContact OD1-NH2 2.89Å; S142-R144 PolarHBondContact O-N 3.06Å; R144-H147 PolarHBondContact O-N 2.55Å; R144-R148 WeakPolarHBondContact O-CB 3.39Å; R144-R148 PolarHBondContact O-N 3.02Å; R144-Y298 HydrophobicContact CB-CD1 3.72Å; R144-Y298 HydrophobicContact CB-CD2 4.42Å; R144-Y298 HydrophobicContact CB-CE1 3.99Å; R144-Y298 HydrophobicContact CB-CG 3.96Å; R144-Y298 HydrophobicContact CG-CD1 3.99Å; R144-Y298 HydrophobicContact CG-CD2 3.77Å; R144-Y298 HydrophobicContact CG-CE1 4.34Å; R144-Y298 HydrophobicContact CG-CE2 4.13Å; R144-Y298 HydrophobicContact CG-CG 3.7Å; R144-N299 PolarHBondContact NH1-OD1 2.7Å
145E96.7Very high97.7Very high33 Ų3324.5 Ų24.515%0.15410%0.102CC..Hα-helixtrans-67.4-45179.9-173.4162.4-13700112.2A82 K83 H84 N141 S142 I143 H147 R148 C149A82-E145 WeakPolarHBondContact CA-OE1 3.43Å; A82-E145 HydrophobicContact CB-CG 3.92Å; K83-E145 PolarHBondContact N-OE1 3.19Å; K83-E145 PolarHBondContact N-OE2 3.39Å; H84-E145 WeakPolarHBondContact CB-OE2 3.36Å; H84-E145 IonicContact CE1-OE2 3.19Å; H84-E145 IonicContact CG-OE2 2.7Å; H84-E145 PolarHBondContact N-OE2 3.04Å; H84-E145 IonicContact ND1-OE2 3.04Å; H84-E145 PolarHBondContact ND1-OE2 2.7Å; N141-E145 WeakPolarHBondContact O-CB 3.45Å; N141-E145 PolarHBondContact O-N 3.24Å; S142-E145 WeakPolarHBondContact O-CB 3.47Å; S142-E145 PolarHBondContact O-N 2.95Å; I143-E145 VanDerWaalsContact C-N 3.27Å; I143-E145 PolarHBondContact O-N 3.05Å; E145-H147 VanDerWaalsContact C-N 3.32Å; E145-H147 PolarHBondContact O-N 2.87Å; E145-R148 WeakPolarHBondContact O-CB 3.49Å; E145-R148 PolarHBondContact O-N 2.93Å; E145-C149 PolarHBondContact O-N 2.84Å; E145-C149 PolarHBondContact O-SG 3.36Å
146M97.5Very high97.6Very high1 Ų124.6 Ų24.61%0.00510%0.103CC..Hα-helixtrans-58.7-44.5171.3-73.7-166.27300112L77 S142 I143 R148 C149 H150 Y151 H153 I175 F178 A181L77-M146 HydrophobicContact CD2-CG 4.43Å; S142-M146 PolarHBondContact O-N 3.1Å; I143-M146 PolarHBondContact O-N 3.03Å; M146-R148 VanDerWaalsContact C-N 3.32Å; M146-R148 PolarHBondContact O-N 3.07Å; M146-C149 CarbonylContact O-C 3.57Å; M146-C149 WeakPolarHBondContact O-CA 3.44Å; M146-C149 WeakPolarHBondContact O-CB 3.46Å; M146-C149 PolarHBondContact O-N 3.3Å; M146-H150 PolarHBondContact O-N 2.84Å; M146-Y151 CarbonylContact C-O 3.4Å; M146-Y151 PolarHBondContact O-N 2.89Å; M146-Y151 VanDerWaalsContact O-N 3.09Å; M146-H153 HydrophobicContact CE-CB 4.24Å; M146-H153 HydrophobicContact SD-CB 4.16Å; M146-I175 HydrophobicContact CG-CG2 4.41Å; M146-I175 HydrophobicContact SD-CD1 3.85Å; M146-I175 HydrophobicContact SD-CG2 4.02Å; M146-F178 HydrophobicContact CE-CD1 3.55Å; M146-F178 HydrophobicContact CE-CE1 3.8Å; M146-F178 HydrophobicContact SD-CD1 4.09Å; M146-F178 HydrophobicContact SD-CE1 3.75Å; M146-A181 HydrophobicContact CE-CB 4.21Å
147H97.7Very high97.6Very high7 Ų726 Ų263%0.03211%0.109CC..Hα-helixtrans-63.7-36.4179.1-69.2152000113I143 R144 E145 C149 H150 Y151 F184 R219 D222 Y298I143-H147 WeakPolarHBondContact CG2-CE1 3.45Å; I143-H147 WeakPolarHBondContact CG2-ND1 3.23Å; I143-H147 WeakPolarHBondContact O-CB 3.35Å; I143-H147 PolarHBondContact O-N 3.39Å; I143-H147 PolarHBondContact O-ND1 3.36Å; I143-H147 VanDerWaalsContact O-ND1 3.12Å; R144-H147 PolarHBondContact O-N 2.55Å; E145-H147 VanDerWaalsContact C-N 3.32Å; E145-H147 PolarHBondContact O-N 2.87Å; H147-C149 PolarHBondContact O-N 2.81Å; H147-H150 PolarHBondContact O-N 3.46Å; H147-Y151 WeakPolarHBondContact CA-O 3.45Å; H147-Y151 PolarHBondContact CD2-O 3.45Å; H147-Y151 PolarHBondContact N-O 2.76Å; H147-F184 WeakPolarHBondContact O-CZ 3.49Å; H147-R219 HydrophobicContact CB-CG 4.28Å; H147-R219 WeakPolarHBondContact NE2-CA 3.39Å; H147-D222 IonicContact CD2-OD2 2.76Å; H147-D222 IonicContact CE1-OD2 3.49Å; H147-D222 IonicContact NE2-OD2 3.67Å; H147-D222 PolarHBondContact NE2-OD2 3.24Å; H147-D222 VanDerWaalsContact NE2-OD2 3.11Å; H147-Y298 VanDerWaalsContact CB-OH 3.26Å; H147-Y298 WeakPolarHBondContact CB-OH 3.45Å; H147-Y298 VanDerWaalsContact CG-OH 3.26Å; H147-Y298 AromaticContact ND1-CE1 3.62Å; H147-Y298 AromaticContact ND1-CZ 3.57Å; H147-Y298 PolarHBondContact ND1-OH 3.48Å
148R95.9Very high97.6Very high198 Ų19825.1 Ų25.175%0.74710%0.104SC*.Hα-helixtrans-63.8-27.6172.2176.2179.2159175.5-5.5112R144 E145 M146 H150R144-R148 WeakPolarHBondContact O-CB 3.39Å; R144-R148 PolarHBondContact O-N 3.02Å; E145-R148 WeakPolarHBondContact O-CB 3.49Å; E145-R148 PolarHBondContact O-N 2.93Å; M146-R148 VanDerWaalsContact C-N 3.32Å; M146-R148 PolarHBondContact O-N 3.07Å; R148-H150 PolarHBondContact O-N 3.09Å
149C96Very high97.4Very high4 Ų425.1 Ų25.13%0.02710%0.104CC..THydrogen-bonded Turntrans-86.19.4173.3-56.40000113.3L77 R80 E145 M146 H147 Y151L77-C149 HydrophobicContact CD2-CB 3.6Å; R80-C149 WeakPolarHBondContact CD-SG 3.13Å; E145-C149 PolarHBondContact O-N 2.84Å; E145-C149 PolarHBondContact O-SG 3.36Å; M146-C149 CarbonylContact O-C 3.57Å; M146-C149 WeakPolarHBondContact O-CA 3.44Å; M146-C149 WeakPolarHBondContact O-CB 3.46Å; M146-C149 PolarHBondContact O-N 3.3Å; H147-C149 PolarHBondContact O-N 2.81Å; C149-Y151 VanDerWaalsContact C-N 3.29Å; C149-Y151 HydrophobicContact CB-CD2 4.22Å; C149-Y151 WeakPolarHBondContact O-CD2 3.12Å; C149-Y151 PolarHBondContact O-N 2.73Å
150H96.9Very high97.4Very high27 Ų2725.5 Ų25.513%0.12511%0.107CC..THydrogen-bonded Turntrans68.219.3-179.8-46.7-63.2000115.2M146 H147 R148 K183 F184 A185M146-H150 PolarHBondContact O-N 2.84Å; H147-H150 PolarHBondContact O-N 3.46Å; R148-H150 PolarHBondContact O-N 3.09Å; H150-K183 HydrophobicContact CB-CG 4.14Å; H150-K183 CarbonylContact O-C 3.51Å; H150-K183 VanDerWaalsContact O-CA 3.24Å; H150-K183 WeakPolarHBondContact O-CA 3.24Å; H150-K183 WeakPolarHBondContact O-CG 3.27Å; H150-F184 VanDerWaalsContact CA-CE1 3.4Å; H150-F184 HydrophobicContact CB-CE1 4.45Å; H150-F184 WeakPolarHBondContact O-CD1 3.37Å; H150-F184 WeakPolarHBondContact O-CE1 3.38Å; H150-F184 PolarHBondContact O-N 3.01Å; H150-A185 HydrophobicContact CB-CB 4.13Å
151Y97.7Very high97.3Very high22 Ų2225.5 Ų25.59%0.08611%0.107CC..EExtended strand (participates in β ladder)trans-107.6138.3174.9-70.8-83000111.7V73 D76 M146 H147 C149 R182 K183V73-Y151 HydrophobicContact CB-CE1 4.45Å; V73-Y151 HydrophobicContact CG1-CD1 4.26Å; V73-Y151 HydrophobicContact CG1-CD2 4.4Å; V73-Y151 HydrophobicContact CG1-CE1 4.46Å; V73-Y151 HydrophobicContact CG1-CG 4.23Å; V73-Y151 HydrophobicContact CG2-CD1 3.93Å; V73-Y151 HydrophobicContact CG2-CE1 3.65Å; D76-Y151 HydrophobicContact CB-CE2 3.93Å; D76-Y151 VanDerWaalsContact OD2-CE2 3.3Å; D76-Y151 WeakPolarHBondContact OD2-CE2 3.45Å; D76-Y151 PolarHBondContact OD2-OH 2.98Å; M146-Y151 CarbonylContact C-O 3.4Å; M146-Y151 PolarHBondContact O-N 2.89Å; M146-Y151 VanDerWaalsContact O-N 3.09Å; H147-Y151 WeakPolarHBondContact CA-O 3.45Å; H147-Y151 PolarHBondContact CD2-O 3.45Å; H147-Y151 PolarHBondContact N-O 2.76Å; C149-Y151 VanDerWaalsContact C-N 3.29Å; C149-Y151 HydrophobicContact CB-CD2 4.22Å; C149-Y151 WeakPolarHBondContact O-CD2 3.12Å; C149-Y151 PolarHBondContact O-N 2.73Å; Y151-R182 WeakPolarHBondContact CA-O 3.12Å; Y151-K183 HydrophobicContact CD1-CB 4.14Å; Y151-K183 HydrophobicContact CD1-CG 4.5Å; Y151-K183 HydrophobicContact CE1-CB 3.78Å; Y151-K183 HydrophobicContact CE1-CD 4.4Å; Y151-K183 HydrophobicContact CE1-CG 4.13Å
152V97.7Very high97.3Very high1 Ų123.8 Ų23.81%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-98.2142.3158.8-71.70000108.5R154 A181 R182 F184 R219 D222V152-R154 HydrophobicContact CB-CG 4.19Å; V152-R154 HydrophobicContact CG2-CG 3.7Å; V152-A181 CarbonylContact O-C 3.52Å; V152-A181 WeakPolarHBondContact O-CA 3.17Å; V152-R182 HydrophobicContact CG2-CB 4.18Å; V152-R182 WeakPolarHBondContact CG2-O 3.29Å; V152-R182 PolarHBondContact N-O 3.45Å; V152-R182 PolarHBondContact O-N 2.98Å; V152-F184 HydrophobicContact CG1-CB 4.3Å; V152-F184 HydrophobicContact CG1-CD1 3.74Å; V152-F184 HydrophobicContact CG1-CE1 4.44Å; V152-F184 HydrophobicContact CG1-CG 4.24Å; V152-F184 HydrophobicContact CG2-CB 4.45Å; V152-R219 HydrophobicContact CG1-CG 4.25Å; V152-D222 VanDerWaalsContact CA-OD2 3.29Å; V152-D222 WeakPolarHBondContact CA-OD2 3.44Å
153H97.6Very high97.3Very high0 Ų023.8 Ų23.80%010%0.098CC..  trans-77.7-43.8-179.2-169.3-68.3000111.9M146 D155 V156 I175 I176 D177 M180 A181 D222M146-H153 HydrophobicContact CE-CB 4.24Å; M146-H153 HydrophobicContact SD-CB 4.16Å; H153-D155 PolarHBondContact CE1-O 3.44Å; H153-D155 PolarHBondContact ND1-N 3.14Å; H153-D155 PolarHBondContact ND1-O 3.09Å; H153-D155 PolarHBondContact O-N 3.29Å; H153-V156 HydrophobicContact CB-CG2 3.94Å; H153-I175 WeakPolarHBondContact CD2-CD1 3.34Å; H153-I176 PolarHBondContact NE2-O 2.84Å; H153-D177 PolarHBondContact CE1-O 3.47Å; H153-D177 PolarHBondContact NE2-O 3.01Å; H153-M180 CarbonylContact O-C 3.59Å; H153-A181 PolarHBondContact O-N 3.33Å; H153-D222 PolarHBondContact N-OD1 3.17Å; H153-D222 PolarHBondContact N-OD2 3.31Å
154R97.1Very high97Very high32 Ų3223.8 Ų23.812%0.12110%0.098CC..SBendtrans66.88.8179.9-51.8-166.8-63.9153.33.8116.5V152 M180 Q217 D222V152-R154 HydrophobicContact CB-CG 4.19Å; V152-R154 HydrophobicContact CG2-CG 3.7Å; R154-M180 PolarHBondContact NE-O 3.17Å; R154-M180 PolarHBondContact NH2-O 3.21Å; R154-Q217 HydrophobicContact CG-CB 4.03Å; R154-D222 PolarHBondContact N-OD1 2.78Å
155D96.5Very high96.7Very high13 Ų1324.2 Ų24.27%0.0710%0.1CC..  trans-151.847.5176.3-163.439.1000110H153 K157 N160 M180 G202 S203H153-D155 PolarHBondContact CE1-O 3.44Å; H153-D155 PolarHBondContact ND1-N 3.14Å; H153-D155 PolarHBondContact ND1-O 3.09Å; H153-D155 PolarHBondContact O-N 3.29Å; D155-K157 PolarHBondContact O-N 3.36Å; D155-K157 IonicContact OD1-NZ 3.58Å; D155-K157 WeakPolarHBondContact OD2-CE 3.23Å; D155-K157 IonicContact OD2-NZ 2.74Å; D155-K157 PolarHBondContact OD2-NZ 3.36Å; D155-N160 PolarHBondContact O-ND2 3.36Å; D155-N160 PolarHBondContact OD2-ND2 3.35Å; D155-N160 VanDerWaalsContact OD2-ND2 3.13Å; D155-M180 HydrophobicContact CB-CB 4.31Å; D155-M180 HydrophobicContact CB-CG 4.35Å; D155-G202 WeakPolarHBondContact OD1-CA 3.48Å; D155-S203 PolarHBondContact OD1-N 3.48Å
156V98.3Very high96.4Very high1 Ų126.3 Ų26.31%0.00611%0.11CC..  trans-71.4115.3178.4170.10000108.7I143 H153 F161 D222 S225 W226I143-V156 HydrophobicContact CD1-CG1 3.9Å; I143-V156 HydrophobicContact CD1-CG2 4.22Å; I143-V156 HydrophobicContact CG1-CG2 4.39Å; H153-V156 HydrophobicContact CB-CG2 3.94Å; V156-F161 HydrophobicContact CG1-CE2 3.81Å; V156-F161 HydrophobicContact CG1-CZ 4.16Å; V156-D222 HydrophobicContact CG2-CB 3.89Å; V156-S225 WeakPolarHBondContact O-CB 3.31Å; V156-W226 HydrophobicContact CG1-CB 4.31Å
157K97.6Very high96Very high30 Ų3035.3 Ų35.313%0.1315%0.149CC..SBendtrans-160159.8-178.763.2-174-171-151.50110.5D155 E159 N160 F161 Y206D155-K157 PolarHBondContact O-N 3.36Å; D155-K157 IonicContact OD1-NZ 3.58Å; D155-K157 WeakPolarHBondContact OD2-CE 3.23Å; D155-K157 IonicContact OD2-NZ 2.74Å; D155-K157 PolarHBondContact OD2-NZ 3.36Å; K157-E159 WeakPolarHBondContact CB-OE2 3.45Å; K157-E159 WeakPolarHBondContact CD-OE2 3.37Å; K157-E159 HydrophobicContact CG-CB 4.32Å; K157-E159 WeakPolarHBondContact CG-OE2 3.31Å; K157-E159 PolarHBondContact O-N 2.98Å; K157-E159 VanDerWaalsContact O-N 3.12Å; K157-N160 HydrophobicContact CG-CB 4.28Å; K157-N160 PolarHBondContact O-N 3.37Å; K157-F161 VanDerWaalsContact O-CD2 3.31Å; K157-F161 WeakPolarHBondContact O-CD2 3.38Å; K157-Y206 HydrophobicContact CB-CD2 3.41Å; K157-Y206 VanDerWaalsContact CB-CD2 3.41Å; K157-Y206 HydrophobicContact CB-CE2 3.75Å; K157-Y206 HydrophobicContact CB-CG 4.17Å
158P98.1Very high95.7Very high0 Ų041.4 Ų41.40%018%0.182CC..G310 helixtrans-48.9-38-179.2-31.838000115.1L109 E110 N160 F161 Y206 M229 F233L109-P158 HydrophobicContact CB-CB 4.02Å; L109-P158 WeakPolarHBondContact CB-O 3.45Å; L109-P158 PolarHBondContact N-O 3.39Å; L109-P158 VanDerWaalsContact N-O 3.16Å; E110-P158 HydrophobicContact CB-CB 3.88Å; E110-P158 WeakPolarHBondContact OE2-CB 3.26Å; P158-N160 VanDerWaalsContact C-N 3.25Å; P158-N160 PolarHBondContact O-N 3.32Å; P158-F161 PolarHBondContact O-N 3.44Å; P158-Y206 VanDerWaalsContact CD-CE2 3.48Å; P158-Y206 HydrophobicContact CG-CE1 4.41Å; P158-Y206 HydrophobicContact CG-CE2 4.37Å; P158-Y206 WeakPolarHBondContact CG-OH 3.3Å; P158-M229 HydrophobicContact CG-CG 3.79Å; P158-M229 HydrophobicContact CG-SD 3.99Å; P158-F233 HydrophobicContact CB-CE1 4.37Å; P158-F233 HydrophobicContact CB-CZ 3.89Å; P158-F233 HydrophobicContact CG-CE1 3.99Å; P158-F233 HydrophobicContact CG-CZ 3.64Å
159E95.9Very high95.6Very high30 Ų3035.1 Ų35.114%0.1416%0.161CC..G310 helixtrans-66-27.8-177-58.990150.500113N108 E110 K157 F161N108-E159 WeakPolarHBondContact CB-O 3.48Å; N108-E159 PolarHBondContact ND2-O 3.05Å; E110-E159 HydrophobicContact CB-CG 3.91Å; E110-E159 HydrophobicContact CG-CG 4.36Å; K157-E159 WeakPolarHBondContact CB-OE2 3.45Å; K157-E159 WeakPolarHBondContact CD-OE2 3.37Å; K157-E159 HydrophobicContact CG-CB 4.32Å; K157-E159 WeakPolarHBondContact CG-OE2 3.31Å; K157-E159 PolarHBondContact O-N 2.98Å; K157-E159 VanDerWaalsContact O-N 3.12Å; E159-F161 VanDerWaalsContact C-N 3.32Å
160N97.1Very high95.5Very high9 Ų936.8 Ų36.85%0.04817%0.17CC..G310 helixtrans-92.17.3-179.4-70.7-16.7000112.9D155 K157 P158 I175 I176D155-N160 PolarHBondContact O-ND2 3.36Å; D155-N160 PolarHBondContact OD2-ND2 3.35Å; D155-N160 VanDerWaalsContact OD2-ND2 3.13Å; K157-N160 HydrophobicContact CG-CB 4.28Å; K157-N160 PolarHBondContact O-N 3.37Å; P158-N160 VanDerWaalsContact C-N 3.25Å; P158-N160 PolarHBondContact O-N 3.32Å; N160-I175 WeakPolarHBondContact O-CA 3.45Å; N160-I176 WeakPolarHBondContact O-CG1 3.27Å; N160-I176 PolarHBondContact O-N 3.49Å
161F98.3Very high95.5Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-119.2128.8170.1-69.9-75.1000109.9N108 L109 T139 I143 V156 K157 P158 E159 I173 F174 I175 M229N108-F161 CarbonylContact C-O 3.41Å; N108-F161 WeakPolarHBondContact CA-O 3.44Å; N108-F161 VanDerWaalsContact CB-O 3.28Å; N108-F161 WeakPolarHBondContact CB-O 3.31Å; L109-F161 HydrophobicContact CD1-CB 3.52Å; L109-F161 HydrophobicContact CD1-CD2 4.41Å; L109-F161 HydrophobicContact CD1-CG 4.19Å; L109-F161 HydrophobicContact CG-CB 3.75Å; L109-F161 PolarHBondContact N-O 2.94Å; T139-F161 HydrophobicContact CG2-CB 4.37Å; T139-F161 HydrophobicContact CG2-CD1 3.62Å; T139-F161 HydrophobicContact CG2-CD2 4.02Å; T139-F161 HydrophobicContact CG2-CE1 3.77Å; T139-F161 HydrophobicContact CG2-CE2 4.18Å; T139-F161 HydrophobicContact CG2-CG 3.74Å; T139-F161 HydrophobicContact CG2-CZ 4.06Å; I143-F161 HydrophobicContact CD1-CZ 4.11Å; I143-F161 HydrophobicContact CG1-CZ 4.15Å; V156-F161 HydrophobicContact CG1-CE2 3.81Å; V156-F161 HydrophobicContact CG1-CZ 4.16Å; K157-F161 VanDerWaalsContact O-CD2 3.31Å; K157-F161 WeakPolarHBondContact O-CD2 3.38Å; P158-F161 PolarHBondContact O-N 3.44Å; E159-F161 VanDerWaalsContact C-N 3.32Å; F161-I173 HydrophobicContact CB-CG2 3.81Å; F161-I173 HydrophobicContact CD1-CG2 3.93Å; F161-I173 HydrophobicContact CG-CG2 4.25Å; F161-F174 WeakPolarHBondContact CA-O 3.33Å; F161-I175 HydrophobicContact CD1-CB 4.05Å; F161-I175 HydrophobicContact CD1-CG1 4.19Å; F161-I175 HydrophobicContact CE1-CB 3.84Å; F161-I175 HydrophobicContact CE1-CD1 3.67Å; F161-I175 HydrophobicContact CE1-CG1 3.82Å; F161-I175 HydrophobicContact CZ-CD1 3.76Å; F161-I175 HydrophobicContact CZ-CG1 4.26Å; F161-M229 HydrophobicContact CD2-CE 4.19Å; F161-M229 HydrophobicContact CD2-SD 3.99Å; F161-M229 HydrophobicContact CE2-CE 4.03Å; F161-M229 HydrophobicContact CE2-SD 4.15Å
162T97.3Very high95.4Very high1 Ų139.1 Ų39.11%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-131150.8-176173.70000110.9V105 G106 P107 I173 F174 I176V105-T162 HydrophobicContact CB-CG2 3.76Å; V105-T162 WeakPolarHBondContact CB-OG1 3.33Å; V105-T162 HydrophobicContact CG1-CG2 4.01Å; V105-T162 HydrophobicContact CG2-CG2 3.77Å; V105-T162 WeakPolarHBondContact CG2-OG1 3.19Å; G106-T162 PolarHBondContact O-OG1 2.92Å; P107-T162 WeakPolarHBondContact O-CA 3.34Å; P107-T162 PolarHBondContact O-OG1 2.87Å; T162-I173 CarbonylContact O-C 3.21Å; T162-I173 WeakPolarHBondContact O-CA 3.35Å; T162-F174 HydrophobicContact CG2-CB 4.34Å; T162-F174 PolarHBondContact N-O 3.32Å; T162-F174 PolarHBondContact O-N 3.04Å; T162-I176 HydrophobicContact CG2-CD1 4.47Å; T162-I176 HydrophobicContact CG2-CG2 3.59Å
163I96.6Very high95.5Very high1 Ų139.1 Ų39.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-80.1162.2169.665.3169.7000111.3G106 P107 L112 L170 E172 I173 W323 L328G106-I163 PolarHBondContact N-O 2.7Å; P107-I163 PolarHBondContact O-N 3.17Å; P107-I163 VanDerWaalsContact O-N 3.17Å; L112-I163 HydrophobicContact CD1-CD1 4.24Å; L112-I163 HydrophobicContact CD1-CG1 4.36Å; L112-I163 HydrophobicContact CD1-CG2 3.69Å; I163-L170 HydrophobicContact CD1-CD2 4.08Å; I163-E172 VanDerWaalsContact CA-O 3.23Å; I163-E172 WeakPolarHBondContact CA-O 3.32Å; I163-I173 HydrophobicContact CG2-CG1 4.43Å; I163-W323 HydrophobicContact CG2-CZ2 3.99Å; I163-L328 HydrophobicContact CD1-CD1 4.19Å
164G93.3Very high95.5Very high1 Ų140.3 Ų40.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-63.6156.6172.700000112.4E169G164-E169 PolarHBondContact N-O 3.26Å
165Y91.8Very high95.5Very high97 Ų9738.8 Ų38.838%0.3819%0.185SC..SBendtrans-84.4-35.9176.5-179.7-102.6000111.8L104 L336L104-Y165 HydrophobicContact CB-CG 4.39Å; L104-Y165 HydrophobicContact CD2-CD1 4.36Å; L104-Y165 HydrophobicContact CD2-CD2 3.84Å; L104-Y165 HydrophobicContact CD2-CE1 4.15Å; L104-Y165 HydrophobicContact CD2-CE2 3.61Å; L104-Y165 HydrophobicContact CD2-CG 4.22Å; L104-Y165 HydrophobicContact CG-CD2 3.99Å; L104-Y165 HydrophobicContact CG-CE2 4.27Å; L104-Y165 HydrophobicContact CG-CG 4.22Å; L104-Y165 VanDerWaalsContact O-CB 3.26Å; L104-Y165 WeakPolarHBondContact O-CB 3.46Å; Y165-L336 HydrophobicContact CD2-CD2 4.08Å; Y165-L336 HydrophobicContact CE2-CD2 4.08Å
166E89.6Confident95.5Very high78 Ų7838.7 Ų38.736%0.36419%0.185SC..SBendtrans-74.6149-177.3-55.8-70.1-179.400110.7K49 N168 E169 L170K49-E166 IonicContact NZ-OE1 3.91Å; E166-N168 WeakPolarHBondContact CB-OD1 3.19Å; E166-N168 PolarHBondContact O-N 3.28Å; E166-N168 VanDerWaalsContact O-N 3.09Å; E166-E169 HydrophobicContact CB-CG 4.19Å; E166-E169 WeakPolarHBondContact O-CA 3.35Å; E166-E169 PolarHBondContact O-N 3.15Å; E166-L170 PolarHBondContact O-N 2.56Å
167K88.6Confident95.2Very high190 Ų19040.5 Ų40.583%0.82620%0.195SC*.G310 helixtrans-54-36.2-175.8-172.6-179.6178.9179.70113.3E169K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 3.4Å
168N92.7Very high95.1Very high135 Ų13539.1 Ų39.172%0.72219%0.188SC*.G310 helixtrans-79.4-5.2179.464.6-55.3000113.8E166E166-N168 WeakPolarHBondContact CB-OD1 3.19Å; E166-N168 PolarHBondContact O-N 3.28Å; E166-N168 VanDerWaalsContact O-N 3.09Å
169E93.4Very high94.9Very high65 Ų6539.4 Ų39.430%0.30419%0.191SC..G310 helixtrans-1140.4-178.2-56.9-179.2147.100112.8G164 E166 K167 A171 E172 F174G164-E169 PolarHBondContact N-O 3.26Å; E166-E169 HydrophobicContact CB-CG 4.19Å; E166-E169 WeakPolarHBondContact O-CA 3.35Å; E166-E169 PolarHBondContact O-N 3.15Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 3.4Å; E169-A171 PolarHBondContact O-N 3.27Å; E169-A171 VanDerWaalsContact O-N 3.1Å; E169-E172 PolarHBondContact O-N 2.76Å; E169-F174 HydrophobicContact CB-CE2 4.48Å
170L94.3Very high94.7Very high40 Ų4038.4 Ų38.421%0.20919%0.187CC..THydrogen-bonded Turntrans-61.3-21.2-179.1-64.2177.7000113.5I163 E166 W323 L324 L328I163-L170 HydrophobicContact CD1-CD2 4.08Å; E166-L170 PolarHBondContact O-N 2.56Å; L170-W323 PolarHBondContact O-NE1 2.9Å; L170-L324 HydrophobicContact CB-CD2 3.66Å; L170-L328 HydrophobicContact CD2-CD1 4.39Å
171A95.6Very high94.7Very high28 Ų2838.3 Ų38.323%0.23119%0.187CC..THydrogen-bonded Turntrans-91.9-10174.700000113.2K138 E169 I321 L324K138-A171 WeakPolarHBondContact CD-O 3.44Å; K138-A171 WeakPolarHBondContact CE-O 3.5Å; K138-A171 PolarHBondContact NZ-O 3.05Å; E169-A171 PolarHBondContact O-N 3.27Å; E169-A171 VanDerWaalsContact O-N 3.1Å; A171-I321 HydrophobicContact CB-CD1 4.12Å; A171-L324 HydrophobicContact CB-CD1 4.15Å
172E96.9Very high94.5Very high70 Ų7042.7 Ų42.733%0.32720%0.204SC..  trans-89.7151.9179.2-63.3-48.9126.300111.2K138 I163 E169 F174K138-E172 IonicContact NZ-OE1 3.57Å; K138-E172 PolarHBondContact NZ-OE1 3.29Å; K138-E172 IonicContact NZ-OE2 2.69Å; K138-E172 PolarHBondContact NZ-OE2 3.13Å; I163-E172 VanDerWaalsContact CA-O 3.23Å; I163-E172 WeakPolarHBondContact CA-O 3.32Å; E169-E172 PolarHBondContact O-N 2.76Å; E172-F174 HydrophobicContact CB-CE2 3.75Å; E172-F174 HydrophobicContact CB-CZ 3.94Å
173I98.1Very high94.5Very high0 Ų045.2 Ų45.20%022%0.215CC..EExtended strand (participates in β ladder)trans-124.5128.9178-60.3174.6000108.2L109 I135 K138 T139 F161 T162 I163 W323L109-I173 HydrophobicContact CD2-CD1 4.04Å; I135-I173 HydrophobicContact CB-CD1 4.4Å; I135-I173 HydrophobicContact CG1-CD1 4.03Å; K138-I173 HydrophobicContact CB-CB 4.02Å; K138-I173 HydrophobicContact CB-CD1 4.01Å; K138-I173 HydrophobicContact CB-CG1 4.25Å; K138-I173 HydrophobicContact CD-CD1 4.13Å; K138-I173 HydrophobicContact CD-CG1 4.1Å; T139-I173 HydrophobicContact CG2-CD1 4.46Å; T139-I173 HydrophobicContact CG2-CG2 3.97Å; F161-I173 HydrophobicContact CB-CG2 3.81Å; F161-I173 HydrophobicContact CD1-CG2 3.93Å; F161-I173 HydrophobicContact CG-CG2 4.25Å; T162-I173 CarbonylContact O-C 3.21Å; T162-I173 WeakPolarHBondContact O-CA 3.35Å; I163-I173 HydrophobicContact CG2-CG1 4.43Å; I173-W323 HydrophobicContact CD1-CH2 4.27Å
174F97.8Very high94.5Very high25 Ų2545.7 Ų45.711%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-116.2143.9179.5-56.6-90.8000110.2K83 H84 I86 F161 T162 E169 E172K83-F174 WeakPolarHBondContact O-CE1 3.48Å; H84-F174 WeakPolarHBondContact O-CA 3.44Å; I86-F174 HydrophobicContact CD1-CB 3.55Å; I86-F174 HydrophobicContact CD1-CD1 3.94Å; I86-F174 HydrophobicContact CD1-CD2 4.28Å; I86-F174 HydrophobicContact CD1-CG 3.66Å; I86-F174 HydrophobicContact CG1-CB 3.73Å; I86-F174 HydrophobicContact CG1-CG 4.4Å; F161-F174 WeakPolarHBondContact CA-O 3.33Å; T162-F174 HydrophobicContact CG2-CB 4.34Å; T162-F174 PolarHBondContact N-O 3.32Å; T162-F174 PolarHBondContact O-N 3.04Å; E169-F174 HydrophobicContact CB-CE2 4.48Å; E172-F174 HydrophobicContact CB-CE2 3.75Å; E172-F174 HydrophobicContact CB-CZ 3.94Å
175I98Very high94.7Very high0 Ų045.7 Ų45.70%022%0.216CC..EExtended strand (participates in β ladder)trans-88.6139.3170.9-163.3162.9000110.3H84 C85 I86 M146 H153 N160 F161 F178H84-I175 WeakPolarHBondContact O-CG2 3.46Å; H84-I175 PolarHBondContact O-N 3.3Å; C85-I175 HydrophobicContact CB-CG2 4.2Å; C85-I175 VanDerWaalsContact SG-CG2 3.57Å; I86-I175 PolarHBondContact N-O 3.21Å; M146-I175 HydrophobicContact CG-CG2 4.41Å; M146-I175 HydrophobicContact SD-CD1 3.85Å; M146-I175 HydrophobicContact SD-CG2 4.02Å; H153-I175 WeakPolarHBondContact CD2-CD1 3.34Å; N160-I175 WeakPolarHBondContact O-CA 3.45Å; F161-I175 HydrophobicContact CD1-CB 4.05Å; F161-I175 HydrophobicContact CD1-CG1 4.19Å; F161-I175 HydrophobicContact CE1-CB 3.84Å; F161-I175 HydrophobicContact CE1-CD1 3.67Å; F161-I175 HydrophobicContact CE1-CG1 3.82Å; F161-I175 HydrophobicContact CZ-CD1 3.76Å; F161-I175 HydrophobicContact CZ-CG1 4.26Å; I175-F178 HydrophobicContact CG2-CE1 3.93Å; I175-F178 HydrophobicContact CG2-CZ 4.17Å
176I95.8Very high94.8Very high11 Ų1145.2 Ų45.26%0.05622%0.218CC..  trans-127.5177.5179.460.4166.1000110.8I86 H153 N160 T162 M338I86-I176 HydrophobicContact CB-CG2 3.8Å; I86-I176 HydrophobicContact CG1-CG2 3.42Å; I86-I176 VanDerWaalsContact CG1-CG2 3.42Å; H153-I176 PolarHBondContact NE2-O 2.84Å; N160-I176 WeakPolarHBondContact O-CG1 3.27Å; N160-I176 PolarHBondContact O-N 3.49Å; T162-I176 HydrophobicContact CG2-CD1 4.47Å; T162-I176 HydrophobicContact CG2-CG2 3.59Å; I176-M338 HydrophobicContact CD1-SD 3.78Å
177D93.4Very high94.8Very high40 Ų4049 Ų4921%0.21424%0.235CC..  trans5579.3177-158.6-25.3000115.3K54 H153 G179K54-D177 IonicContact NZ-OD1 3.35Å; K54-D177 IonicContact NZ-OD2 3.39Å; K54-D177 PolarHBondContact NZ-OD2 3.27Å; H153-D177 PolarHBondContact CE1-O 3.47Å; H153-D177 PolarHBondContact NE2-O 3.01Å; D177-G179 PolarHBondContact O-N 3.19Å; D177-G179 PolarHBondContact OD1-N 3.44Å
178F95.2Very high95Very high0 Ų045.5 Ų45.50%023%0.23CC..G310 helixtrans-86.315.2175.7-49.7-62.1000113.3E70 V73 M74 L77 C85 I86 M146 I175 M180 A181E70-F178 HydrophobicContact CG-CB 4.26Å; V73-F178 HydrophobicContact CB-CB 3.98Å; V73-F178 HydrophobicContact CB-CG 4.44Å; V73-F178 HydrophobicContact CG1-CB 3.84Å; V73-F178 HydrophobicContact CG1-CD1 4.22Å; V73-F178 HydrophobicContact CG1-CD2 4.48Å; V73-F178 HydrophobicContact CG1-CG 3.91Å; V73-F178 HydrophobicContact CG2-CB 4.4Å; M74-F178 HydrophobicContact CE-CD2 3.57Å; M74-F178 HydrophobicContact CE-CE2 3.78Å; M74-F178 HydrophobicContact CG-CD2 3.53Å; M74-F178 HydrophobicContact CG-CE2 3.73Å; M74-F178 HydrophobicContact SD-CD2 4.41Å; L77-F178 HydrophobicContact CD1-CD1 4.46Å; L77-F178 HydrophobicContact CD1-CE1 4.09Å; L77-F178 HydrophobicContact CD1-CE2 4.25Å; L77-F178 HydrophobicContact CD1-CZ 3.99Å; C85-F178 HydrophobicContact CB-CZ 3.92Å; I86-F178 WeakPolarHBondContact O-CE2 3.39Å; M146-F178 HydrophobicContact CE-CD1 3.55Å; M146-F178 HydrophobicContact CE-CE1 3.8Å; M146-F178 HydrophobicContact SD-CD1 4.09Å; M146-F178 HydrophobicContact SD-CE1 3.75Å; I175-F178 HydrophobicContact CG2-CE1 3.93Å; I175-F178 HydrophobicContact CG2-CZ 4.17Å; F178-M180 PolarHBondContact O-N 3.03Å; F178-A181 HydrophobicContact CB-CB 4.06Å; F178-A181 WeakPolarHBondContact O-CB 3.41Å; F178-A181 PolarHBondContact O-N 3.32Å
179G93Very high94.9Very high6 Ų641.2 Ų41.26%0.06222%0.217CC..G310 helixtrans-63.5-26.9-17400000112.6E70 D177E70-G179 VanDerWaalsContact CG-N 3.32Å; D177-G179 PolarHBondContact O-N 3.19Å; D177-G179 PolarHBondContact OD1-N 3.44Å
180M92.6Very high94.9Very high10 Ų1044.2 Ų44.25%0.04923%0.232CC..G310 helixtrans-97.5-3.8175.2-61.7-66.18600113.4R66 H153 R154 D155 F178 K201R66-M180 HydrophobicContact CG-CE 4.14Å; H153-M180 CarbonylContact O-C 3.59Å; R154-M180 PolarHBondContact NE-O 3.17Å; R154-M180 PolarHBondContact NH2-O 3.21Å; D155-M180 HydrophobicContact CB-CB 4.31Å; D155-M180 HydrophobicContact CB-CG 4.35Å; F178-M180 PolarHBondContact O-N 3.03Å; M180-K201 HydrophobicContact CE-CD 4.35Å; M180-K201 HydrophobicContact SD-CB 3.49Å; M180-K201 WeakPolarHBondContact SD-CB 3.39Å; M180-K201 HydrophobicContact SD-CD 3.93Å; M180-K201 HydrophobicContact SD-CG 4.34Å
181A95.8Very high95Very high7 Ų743.6 Ų43.66%0.05823%0.228CC..  trans-64.2148.8-175.500000112.1V73 M146 V152 H153 F178V73-A181 HydrophobicContact CG1-CB 4.25Å; V73-A181 HydrophobicContact CG2-CB 3.96Å; M146-A181 HydrophobicContact CE-CB 4.21Å; V152-A181 CarbonylContact O-C 3.52Å; V152-A181 WeakPolarHBondContact O-CA 3.17Å; H153-A181 PolarHBondContact O-N 3.33Å; F178-A181 HydrophobicContact CB-CB 4.06Å; F178-A181 WeakPolarHBondContact O-CB 3.41Å; F178-A181 PolarHBondContact O-N 3.32Å
182R95.2Very high95Very high91 Ų9145.2 Ų45.234%0.34323%0.23SC..EExtended strand (participates in β ladder)trans-140.3138179.7-173.8177.3-179.894.40.9110.3Y151 V152 F184 R195 E216Y151-R182 WeakPolarHBondContact CA-O 3.12Å; V152-R182 HydrophobicContact CG2-CB 4.18Å; V152-R182 WeakPolarHBondContact CG2-O 3.29Å; V152-R182 PolarHBondContact N-O 3.45Å; V152-R182 PolarHBondContact O-N 2.98Å; R182-F184 PolarHBondContact O-N 2.76Å; R182-R195 VanDerWaalsContact CZ-CZ 3.46Å; R182-E216 IonicContact NE-OE1 3.4Å; R182-E216 IonicContact NE-OE2 3.11Å
183K96.4Very high94.9Very high55 Ų5552.5 Ų52.524%0.23925%0.254CS..EExtended strand (participates in β ladder)trans-72.6120.6173.1-152.4165.9-170.6150.20108.9D76 H150 Y151 A185 H192D76-K183 IonicContact OD2-NZ 2.7Å; D76-K183 PolarHBondContact OD2-NZ 3.38Å; H150-K183 HydrophobicContact CB-CG 4.14Å; H150-K183 CarbonylContact O-C 3.51Å; H150-K183 VanDerWaalsContact O-CA 3.24Å; H150-K183 WeakPolarHBondContact O-CA 3.24Å; H150-K183 WeakPolarHBondContact O-CG 3.27Å; Y151-K183 HydrophobicContact CD1-CB 4.14Å; Y151-K183 HydrophobicContact CD1-CG 4.5Å; Y151-K183 HydrophobicContact CE1-CB 3.78Å; Y151-K183 HydrophobicContact CE1-CD 4.4Å; Y151-K183 HydrophobicContact CE1-CG 4.13Å; K183-A185 WeakPolarHBondContact CG-O 2.93Å; K183-H192 PolarHBondContact O-CD2 2.92Å
184F96.9Very high94.8Very high11 Ų1155.3 Ų55.35%0.04827%0.273CS..  trans-99-13.5-177.573.4-95.4000112.9H147 H150 V152 R182 H191 H192 R219H147-F184 WeakPolarHBondContact O-CZ 3.49Å; H150-F184 VanDerWaalsContact CA-CE1 3.4Å; H150-F184 HydrophobicContact CB-CE1 4.45Å; H150-F184 WeakPolarHBondContact O-CD1 3.37Å; H150-F184 WeakPolarHBondContact O-CE1 3.38Å; H150-F184 PolarHBondContact O-N 3.01Å; V152-F184 HydrophobicContact CG1-CB 4.3Å; V152-F184 HydrophobicContact CG1-CD1 3.74Å; V152-F184 HydrophobicContact CG1-CE1 4.44Å; V152-F184 HydrophobicContact CG1-CG 4.24Å; V152-F184 HydrophobicContact CG2-CB 4.45Å; R182-F184 PolarHBondContact O-N 2.76Å; F184-H191 AromaticContact CD2-CD2 3.51Å; F184-H191 AromaticContact CD2-NE2 3.42Å; F184-H191 WeakPolarHBondContact CD2-NE2 3.27Å; F184-H191 PolarHBondContact O-ND1 3.36Å; F184-H192 PolarHBondContact O-CD2 3.19Å; F184-H192 PolarHBondContact O-N 3.05Å; F184-R219 HydrophobicContact CD1-CG 4.32Å; F184-R219 HydrophobicContact CD2-CG 4.5Å; F184-R219 HydrophobicContact CE1-CG 3.85Å; F184-R219 HydrophobicContact CE2-CG 4.09Å; F184-R219 VanDerWaalsContact CZ-CD 3.47Å; F184-R219 HydrophobicContact CZ-CG 3.75Å
185A96.8Very high94.6Very high0 Ų058.6 Ų58.60%028%0.284CS..BIsolated β-bridgetrans-141.5152.5-179.100000112.5H150 K183 Q190H150-A185 HydrophobicContact CB-CB 4.13Å; K183-A185 WeakPolarHBondContact CG-O 2.93Å; A185-Q190 CarbonylContact C-O 3.53Å; A185-Q190 WeakPolarHBondContact CA-O 3.36Å; A185-Q190 VanDerWaalsContact CB-O 3.3Å; A185-Q190 WeakPolarHBondContact CB-O 3.48Å
186H94.5Very high94.3Very high88 Ų8863.7 Ų63.741%0.40733%0.327SS..  trans-63.5165.3168.1-62.7-83.2000110.8T188 G189 Q190 H192H186-T188 PolarHBondContact O-N 3.24Å; H186-T188 VanDerWaalsContact O-N 3.13Å; H186-G189 WeakPolarHBondContact O-CA 3.39Å; H186-G189 PolarHBondContact O-N 3.36Å; H186-Q190 PolarHBondContact CD2-O 2.93Å; H186-Q190 PolarHBondContact N-O 3.21Å; H186-H192 AromaticContact CD2-CE1 3.53Å; H186-H192 AromaticContact CD2-ND1 3.39Å; H186-H192 PolarHBondContact CD2-ND1 3.44Å; H186-H192 AromaticContact CE1-CE1 3.3Å; H186-H192 PolarHBondContact CE1-CE1 3.48Å; H186-H192 AromaticContact CE1-ND1 3.43Å; H186-H192 PolarHBondContact CE1-ND1 3.05Å; H186-H192 AromaticContact CG-CE1 3.62Å; H186-H192 AromaticContact CG-ND1 3.97Å; H186-H192 AromaticContact ND1-CE1 3.47Å; H186-H192 PolarHBondContact ND1-CE1 3.29Å; H186-H192 AromaticContact ND1-ND1 3.98Å; H186-H192 AromaticContact NE2-CE1 3.3Å; H186-H192 PolarHBondContact NE2-CE1 3.29Å; H186-H192 VanDerWaalsContact NE2-CE1 3.3Å; H186-H192 AromaticContact NE2-ND1 2.98Å; H186-H192 PolarHBondContact NE2-ND1 2.81Å
187Q90.2Very high93.9Very high157 Ų15768.7 Ų68.773%0.73435%0.353SS*.THydrogen-bonded Turntrans-58.5-24.6173.3-68.2179.8-900112.8G189Q187-G189 PolarHBondContact O-N 2.68Å
188T91.9Very high93.8Very high117 Ų11767 Ų6772%0.71835%0.345SS*.THydrogen-bonded Turntrans-69.9-6.9173.3600000113.5H186 Q190H186-T188 PolarHBondContact O-N 3.24Å; H186-T188 VanDerWaalsContact O-N 3.13Å; T188-Q190 PolarHBondContact O-N 3.39Å; T188-Q190 WeakPolarHBondContact OG1-CB 3.17Å; T188-Q190 PolarHBondContact OG1-N 2.91Å
189G90.7Very high93.4Very high44 Ų4468.7 Ų68.745%0.45436%0.362SS..SBendtrans82.1-4.9-17200000114.1H186 Q187 H191H186-G189 WeakPolarHBondContact O-CA 3.39Å; H186-G189 PolarHBondContact O-N 3.36Å; Q187-G189 PolarHBondContact O-N 2.68Å; G189-H191 PolarHBondContact O-N 3.32Å
190Q93.8Very high93.3Very high129 Ų12969 Ų6960%0.60336%0.362SS*.PPolyproline II helixtrans-65.4123.2176.3-175-178.417.700110.5A185 H186 T188A185-Q190 CarbonylContact C-O 3.53Å; A185-Q190 WeakPolarHBondContact CA-O 3.36Å; A185-Q190 VanDerWaalsContact CB-O 3.3Å; A185-Q190 WeakPolarHBondContact CB-O 3.48Å; H186-Q190 PolarHBondContact CD2-O 2.93Å; H186-Q190 PolarHBondContact N-O 3.21Å; T188-Q190 PolarHBondContact O-N 3.39Å; T188-Q190 WeakPolarHBondContact OG1-CB 3.17Å; T188-Q190 PolarHBondContact OG1-N 2.91Å
191H95.8Very high92.8Very high27 Ų2773.4 Ų73.413%0.12538%0.381CS..BIsolated β-bridgetrans-67134.7178-155.4-65.2000110.7F184 G189 H292 Y293F184-H191 AromaticContact CD2-CD2 3.51Å; F184-H191 AromaticContact CD2-NE2 3.42Å; F184-H191 WeakPolarHBondContact CD2-NE2 3.27Å; F184-H191 PolarHBondContact O-ND1 3.36Å; G189-H191 PolarHBondContact O-N 3.32Å; H191-H292 AromaticContact CE1-CD2 3.62Å; H191-H292 AromaticContact CE1-CE1 3.74Å; H191-H292 AromaticContact CE1-NE2 3.13Å; H191-H292 PolarHBondContact CE1-NE2 3.37Å; H191-H292 AromaticContact ND1-CD2 3.95Å; H191-H292 AromaticContact ND1-NE2 3.56Å; H191-H292 PolarHBondContact NE2-O 3.21Å; H191-Y293 HydrophobicContact CB-CD1 3.75Å; H191-Y293 HydrophobicContact CB-CE1 4.23Å; H191-Y293 AromaticContact CG-CD1 3.66Å; H191-Y293 AromaticContact ND1-CD1 3.82Å; H191-Y293 AromaticContact ND1-CE1 3.97Å
192H95.7Very high92.1Very high61 Ų6174.6 Ų74.628%0.28239%0.394SS..PPolyproline II helixtrans-63.7153.7171.7-64-49.3000110.6K183 F184 H186K183-H192 PolarHBondContact O-CD2 2.92Å; F184-H192 PolarHBondContact O-CD2 3.19Å; F184-H192 PolarHBondContact O-N 3.05Å; H186-H192 AromaticContact CD2-CE1 3.53Å; H186-H192 AromaticContact CD2-ND1 3.39Å; H186-H192 PolarHBondContact CD2-ND1 3.44Å; H186-H192 AromaticContact CE1-CE1 3.3Å; H186-H192 PolarHBondContact CE1-CE1 3.48Å; H186-H192 AromaticContact CE1-ND1 3.43Å; H186-H192 PolarHBondContact CE1-ND1 3.05Å; H186-H192 AromaticContact CG-CE1 3.62Å; H186-H192 AromaticContact CG-ND1 3.97Å; H186-H192 AromaticContact ND1-CE1 3.47Å; H186-H192 PolarHBondContact ND1-CE1 3.29Å; H186-H192 AromaticContact ND1-ND1 3.98Å; H186-H192 AromaticContact NE2-CE1 3.3Å; H186-H192 PolarHBondContact NE2-CE1 3.29Å; H186-H192 VanDerWaalsContact NE2-CE1 3.3Å; H186-H192 AromaticContact NE2-ND1 2.98Å; H186-H192 PolarHBondContact NE2-ND1 2.81Å
193R95.6Very high91.8Very high223 Ų22371.4 Ų71.484%0.84239%0.385SS*.PPolyproline II helixtrans-68.9140.6170-69.1-177.4177.8173.9-0.7109.7
194P95.7Very high91.6Very high59 Ų5969.2 Ų69.238%0.38338%0.376SS..PPolyproline II helixtrans-64.1140.7175.627.7-34.5000110.1E216 Y293P194-E216 HydrophobicContact CB-CB 3.62Å; P194-E216 HydrophobicContact CB-CG 4.28Å; P194-Y293 WeakPolarHBondContact CD-OH 3.45Å
195R94.3Very high91.5Very high94 Ų9469.7 Ų69.736%0.35538%0.379SS..PPolyproline II helixtrans-67.9150.6166-70.6176.2-70.7156.76.8109.7R182 L197 E216R182-R195 VanDerWaalsContact CZ-CZ 3.46Å; R195-L197 VanDerWaalsContact C-N 3.29Å; R195-L197 PolarHBondContact O-N 3.48Å; R195-E216 WeakPolarHBondContact CG-OE2 3.37Å; R195-E216 IonicContact CZ-OE1 3.9Å; R195-E216 IonicContact CZ-OE2 3.87Å; R195-E216 IonicContact NE-OE1 3.9Å; R195-E216 IonicContact NE-OE2 3.46Å; R195-E216 PolarHBondContact NE-OE2 3.03Å; R195-E216 IonicContact NH2-OE1 3.96Å; R195-E216 PolarHBondContact NH2-OE1 2.79Å; R195-E216 IonicContact NH2-OE2 2.76Å; R195-E216 PolarHBondContact NH2-OE2 3.11Å
196A91.1Very high91.5Very high108 Ų10869.9 Ų69.989%0.89338%0.379SS*.SBendtrans-62.1-38.5175.900000112.2
197L88.2Confident91.7Very high115 Ų11566 Ų6660%0.60236%0.363SS*.  trans-134.5129.5172.9-164.872.3000109.6R195 E214R195-L197 VanDerWaalsContact C-N 3.29Å; R195-L197 PolarHBondContact O-N 3.48Å; L197-E214 HydrophobicContact CD1-CB 3.74Å; L197-E214 HydrophobicContact CG-CB 4.46Å
198A89.9Confident92Very high5 Ų558.6 Ų58.64%0.04133%0.328CS..  trans-124.387.6177.100000108.8F200 E214 E216A198-F200 PolarHBondContact O-N 3.36Å; A198-E214 PolarHBondContact N-O 2.67Å; A198-E216 HydrophobicContact CB-CB 4.36Å
199G87.8Confident92.3Very high36 Ų3654.1 Ų54.137%0.37130%0.301SS..  trans-44.4126.1-178.500000112.5E214G199-E214 WeakPolarHBondContact CA-OE1 3.45Å
200F89.9Confident92.6Very high13 Ų1353.7 Ų53.76%0.05729%0.288CS..  trans-67.8136.1-175.7178.6-99.4000110.9A198 G202 Y204 A207 A211 L212 E214 F251 L255A198-F200 PolarHBondContact O-N 3.36Å; F200-G202 VanDerWaalsContact CE1-O 3.27Å; F200-G202 WeakPolarHBondContact CE1-O 3.49Å; F200-Y204 HydrophobicContact CD1-CD1 4.1Å; F200-Y204 AromaticContact CD1-CE1 3.88Å; F200-Y204 HydrophobicContact CD1-CE1 3.88Å; F200-Y204 AromaticContact CE1-CD1 3.41Å; F200-Y204 HydrophobicContact CE1-CD1 3.41Å; F200-Y204 VanDerWaalsContact CE1-CD1 3.41Å; F200-Y204 AromaticContact CE1-CE1 3.54Å; F200-Y204 HydrophobicContact CE1-CE1 3.54Å; F200-Y204 HydrophobicContact CZ-CD1 4.15Å; F200-A207 HydrophobicContact CE2-CB 3.48Å; F200-A207 VanDerWaalsContact CE2-CB 3.48Å; F200-A207 HydrophobicContact CZ-CB 3.61Å; F200-A211 HydrophobicContact CD2-CB 3.99Å; F200-A211 VanDerWaalsContact CD2-O 3.29Å; F200-A211 WeakPolarHBondContact CD2-O 3.46Å; F200-A211 HydrophobicContact CE2-CB 4Å; F200-L212 HydrophobicContact CE1-CD2 4.37Å; F200-L212 HydrophobicContact CE2-CD2 4.26Å; F200-L212 HydrophobicContact CZ-CD2 4.14Å; F200-E214 HydrophobicContact CB-CG 4.38Å; F200-F251 HydrophobicContact CD1-CZ 4.24Å; F200-L255 HydrophobicContact CB-CD1 3.8Å; F200-L255 HydrophobicContact CB-CD2 4.29Å; F200-L255 HydrophobicContact CD1-CD1 4.43Å; F200-L255 HydrophobicContact CD1-CD2 3.48Å; F200-L255 VanDerWaalsContact CD1-CD2 3.48Å; F200-L255 HydrophobicContact CE1-CD2 4.02Å; F200-L255 HydrophobicContact CG-CD1 4.38Å; F200-L255 HydrophobicContact CG-CD2 3.97Å
201K82.7Confident92.7Very high101 Ų10147.6 Ų47.644%0.43926%0.26SS..  trans-141.9128.8171.9-56.8-174.4-180-168.50107.1M180M180-K201 HydrophobicContact CE-CD 4.35Å; M180-K201 HydrophobicContact SD-CB 3.49Å; M180-K201 WeakPolarHBondContact SD-CB 3.39Å; M180-K201 HydrophobicContact SD-CD 3.93Å; M180-K201 HydrophobicContact SD-CG 4.34Å
202G82Confident92.8Very high33 Ų3346.4 Ų46.434%0.3425%0.254SS..SBendtrans137.7-171.317800000113D155 F200D155-G202 WeakPolarHBondContact OD1-CA 3.48Å; F200-G202 VanDerWaalsContact CE1-O 3.27Å; F200-G202 WeakPolarHBondContact CE1-O 3.49Å
203S87.4Confident92.8Very high23 Ų2347.6 Ų47.616%0.16126%0.262CS..  trans-76.7127.2176.3172.40000112.1D155 L205 A207D155-S203 PolarHBondContact OD1-N 3.48Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.05Å; S203-L205 PolarHBondContact OG-N 3.18Å; S203-A207 WeakPolarHBondContact O-CB 3.26Å; S203-A207 PolarHBondContact O-N 3.06Å
204Y91.8Very high92.8Very high10 Ų1038.7 Ų38.74%0.03923%0.23CC..THydrogen-bonded Turntrans-63.4-36.3174.6-52.8-43.2000112F200 Y206 A207 L212 F251 L255 Y258 K262 E345F200-Y204 HydrophobicContact CD1-CD1 4.1Å; F200-Y204 AromaticContact CD1-CE1 3.88Å; F200-Y204 HydrophobicContact CD1-CE1 3.88Å; F200-Y204 AromaticContact CE1-CD1 3.41Å; F200-Y204 HydrophobicContact CE1-CD1 3.41Å; F200-Y204 VanDerWaalsContact CE1-CD1 3.41Å; F200-Y204 AromaticContact CE1-CE1 3.54Å; F200-Y204 HydrophobicContact CE1-CE1 3.54Å; F200-Y204 HydrophobicContact CZ-CD1 4.15Å; Y204-Y206 VanDerWaalsContact C-N 3.31Å; Y204-Y206 PolarHBondContact O-N 2.91Å; Y204-A207 PolarHBondContact O-N 2.94Å; Y204-L212 HydrophobicContact CD1-CD2 4.07Å; Y204-F251 HydrophobicContact CE1-CE2 4.05Å; Y204-F251 HydrophobicContact CE1-CZ 4.45Å; Y204-F251 AromaticContact CZ-CE2 3.91Å; Y204-F251 WeakPolarHBondContact OH-CD2 3.32Å; Y204-F251 WeakPolarHBondContact OH-CE2 3.48Å; Y204-L255 HydrophobicContact CD1-CD2 3.55Å; Y204-L255 HydrophobicContact CE1-CD2 3.3Å; Y204-L255 HydrophobicContact CE1-CG 4.48Å; Y204-Y258 HydrophobicContact CD2-CD2 4.32Å; Y204-Y258 AromaticContact CD2-CE2 3.96Å; Y204-Y258 HydrophobicContact CD2-CE2 3.96Å; Y204-Y258 HydrophobicContact CG-CD2 4.27Å; Y204-Y258 HydrophobicContact CG-CE2 4.29Å; Y204-K262 WeakPolarHBondContact O-CE 2.96Å; Y204-K262 PolarHBondContact O-NZ 3.33Å; Y204-E345 HydrophobicContact CD2-CB 4.49Å; Y204-E345 WeakPolarHBondContact CE2-O 3.42Å
205L95.3Very high92.8Very high20 Ų2039.1 Ų39.111%0.10523%0.229CC..THydrogen-bonded Turntrans-57.9-43.2-171.2-174.961000111.8S203 L238 W240 K262S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.05Å; S203-L205 PolarHBondContact OG-N 3.18Å; L205-L238 HydrophobicContact CD1-CB 4.46Å; L205-L238 HydrophobicContact CD1-CD1 3.86Å; L205-L238 HydrophobicContact CG-CD1 4.02Å; L205-W240 PolarHBondContact O-NE1 3.23Å; L205-K262 PolarHBondContact O-NZ 3.39Å
206Y97.7Very high92.9Very high4 Ų435.3 Ų35.32%0.01622%0.216CC..THydrogen-bonded Turntrans-103.4-9.8-177.3-51.1-74.5000114.5K157 P158 Y204 S225 F228 M229 R232 L238K157-Y206 HydrophobicContact CB-CD2 3.41Å; K157-Y206 VanDerWaalsContact CB-CD2 3.41Å; K157-Y206 HydrophobicContact CB-CE2 3.75Å; K157-Y206 HydrophobicContact CB-CG 4.17Å; P158-Y206 VanDerWaalsContact CD-CE2 3.48Å; P158-Y206 HydrophobicContact CG-CE1 4.41Å; P158-Y206 HydrophobicContact CG-CE2 4.37Å; P158-Y206 WeakPolarHBondContact CG-OH 3.3Å; Y204-Y206 VanDerWaalsContact C-N 3.31Å; Y204-Y206 PolarHBondContact O-N 2.91Å; Y206-S225 WeakPolarHBondContact O-CA 3.38Å; Y206-S225 VanDerWaalsContact O-CB 3.26Å; Y206-S225 WeakPolarHBondContact O-CB 3.48Å; Y206-S225 PolarHBondContact O-OG 3.01Å; Y206-F228 HydrophobicContact CD1-CB 4.34Å; Y206-F228 WeakPolarHBondContact O-CD2 3.35Å; Y206-M229 HydrophobicContact CD1-CB 4.35Å; Y206-M229 HydrophobicContact CE1-CB 4.44Å; Y206-R232 HydrophobicContact CE1-CB 4.49Å; Y206-R232 VanDerWaalsContact OH-CD 3.24Å; Y206-R232 WeakPolarHBondContact OH-CD 3.43Å; Y206-R232 PolarHBondContact OH-NH1 3.42Å; Y206-L238 HydrophobicContact CD1-CD1 4.31Å; Y206-L238 HydrophobicContact CE1-CD1 4.31Å
207A97.9Very high93.2Very high7 Ų730.7 Ų30.76%0.05818%0.176CC..  trans-57.3146.1-179.200000113.5F200 S203 Y204 A211 L212 K262F200-A207 HydrophobicContact CE2-CB 3.48Å; F200-A207 VanDerWaalsContact CE2-CB 3.48Å; F200-A207 HydrophobicContact CZ-CB 3.61Å; S203-A207 WeakPolarHBondContact O-CB 3.26Å; S203-A207 PolarHBondContact O-N 3.06Å; Y204-A207 PolarHBondContact O-N 2.94Å; A207-A211 HydrophobicContact CB-CB 4.36Å; A207-L212 HydrophobicContact CB-CD1 4.42Å; A207-L212 HydrophobicContact CB-CD2 3.8Å; A207-L212 HydrophobicContact CB-CG 3.84Å; A207-K262 PolarHBondContact O-NZ 3.37Å
208S97.7Very high93.6Very high1 Ų125.2 Ų25.21%0.00715%0.147CC..  trans-68.2158.9171.879.60000111.1N210 A211 L212 D221S208-N210 PolarHBondContact O-N 2.8Å; S208-N210 PolarHBondContact OG-N 3.01Å; S208-A211 PolarHBondContact O-N 2.97Å; S208-A211 WeakPolarHBondContact OG-CB 3.34Å; S208-A211 PolarHBondContact OG-N 3.21Å; S208-L212 WeakPolarHBondContact O-CG 3.14Å; S208-L212 PolarHBondContact O-N 3.33Å; S208-L212 VanDerWaalsContact O-N 3.09Å; S208-D221 WeakPolarHBondContact CB-OD1 3.45Å; S208-D221 PolarHBondContact OG-OD1 2.98Å
209V97.6Very high94Very high24 Ų2426.4 Ų26.415%0.14515%0.15CC..Hα-helixtrans-55.9-40.2171.6176.70000110.8A211 L212 L213 A259 K262 D263 I266V209-A211 PolarHBondContact O-N 3.04Å; V209-L212 PolarHBondContact O-N 3.35Å; V209-L213 HydrophobicContact CG1-CD1 3.86Å; V209-L213 HydrophobicContact CG1-CG 4.34Å; V209-L213 WeakPolarHBondContact O-CB 3.08Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.28Å; V209-L213 PolarHBondContact O-N 3.45Å; V209-A259 HydrophobicContact CG1-CB 4.31Å; V209-K262 HydrophobicContact CG2-CB 3.66Å; V209-D263 HydrophobicContact CG2-CB 4.49Å; V209-I266 HydrophobicContact CG2-CD1 4.05Å
210N97Very high94.5Very high35 Ų3526.2 Ų26.219%0.18714%0.138CC..Hα-helixtrans-63.6-41.7179.1-54.7-73.1000112S208 L213 E214 N215 R220 D221S208-N210 PolarHBondContact O-N 2.8Å; S208-N210 PolarHBondContact OG-N 3.01Å; N210-L213 CarbonylContact O-C 3.56Å; N210-L213 PolarHBondContact O-N 2.89Å; N210-E214 PolarHBondContact O-N 3.1Å; N210-N215 HydrophobicContact CB-CB 4.15Å; N210-N215 WeakPolarHBondContact O-CB 3.28Å; N210-N215 PolarHBondContact O-N 3.17Å; N210-R220 VanDerWaalsContact CG-CZ 3.47Å; N210-R220 VanDerWaalsContact ND2-CZ 3.35Å; N210-R220 PolarHBondContact ND2-NE 3.16Å; N210-R220 PolarHBondContact OD1-NH2 3.16Å; N210-R220 VanDerWaalsContact OD1-NH2 3.15Å; N210-D221 WeakPolarHBondContact CB-OD1 3.43Å; N210-D221 PolarHBondContact ND2-OD1 3.41Å
211A96.7Very high94.9Very high1 Ų125.6 Ų25.61%0.00814%0.136CC..Hα-helixtrans-64.2-43.3179.600000111.3F200 A207 S208 V209 L213 E214 Q217F200-A211 HydrophobicContact CD2-CB 3.99Å; F200-A211 VanDerWaalsContact CD2-O 3.29Å; F200-A211 WeakPolarHBondContact CD2-O 3.46Å; F200-A211 HydrophobicContact CE2-CB 4Å; A207-A211 HydrophobicContact CB-CB 4.36Å; S208-A211 PolarHBondContact O-N 2.97Å; S208-A211 WeakPolarHBondContact OG-CB 3.34Å; S208-A211 PolarHBondContact OG-N 3.21Å; V209-A211 PolarHBondContact O-N 3.04Å; A211-L213 VanDerWaalsContact C-N 3.31Å; A211-L213 PolarHBondContact O-N 3.17Å; A211-E214 PolarHBondContact O-N 3.07Å; A211-Q217 HydrophobicContact CB-CG 3.73Å
212L97.1Very high95.7Very high2 Ų220.9 Ų20.91%0.0112%0.115CC..Hα-helixtrans-66.9-31.8176.8-65.5172000112.4F200 Y204 A207 S208 V209 E214 L255 A259 K262F200-L212 HydrophobicContact CE1-CD2 4.37Å; F200-L212 HydrophobicContact CE2-CD2 4.26Å; F200-L212 HydrophobicContact CZ-CD2 4.14Å; Y204-L212 HydrophobicContact CD1-CD2 4.07Å; A207-L212 HydrophobicContact CB-CD1 4.42Å; A207-L212 HydrophobicContact CB-CD2 3.8Å; A207-L212 HydrophobicContact CB-CG 3.84Å; S208-L212 WeakPolarHBondContact O-CG 3.14Å; S208-L212 PolarHBondContact O-N 3.33Å; S208-L212 VanDerWaalsContact O-N 3.09Å; V209-L212 PolarHBondContact O-N 3.35Å; L212-E214 PolarHBondContact O-N 3.32Å; L212-L255 HydrophobicContact CD2-CD2 3.7Å; L212-L255 WeakPolarHBondContact O-CB 3.42Å; L212-A259 HydrophobicContact CB-CB 3.84Å; L212-A259 HydrophobicContact CD1-CB 4.27Å; L212-K262 HydrophobicContact CD1-CD 3.65Å
213L96.2Very high96.5Very high86 Ų8619.3 Ų19.345%0.4510%0.099SC..THydrogen-bonded Turntrans-81.414.4171.7-64177.5000113.3V209 N210 A211 N215 A259V209-L213 HydrophobicContact CG1-CD1 3.86Å; V209-L213 HydrophobicContact CG1-CG 4.34Å; V209-L213 WeakPolarHBondContact O-CB 3.08Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.28Å; V209-L213 PolarHBondContact O-N 3.45Å; N210-L213 CarbonylContact O-C 3.56Å; N210-L213 PolarHBondContact O-N 2.89Å; A211-L213 VanDerWaalsContact C-N 3.31Å; A211-L213 PolarHBondContact O-N 3.17Å; L213-N215 PolarHBondContact O-N 2.92Å; L213-A259 HydrophobicContact CD2-CB 3.8Å; L213-A259 HydrophobicContact CG-CB 3.96Å
214E95.2Very high97Very high35 Ų3519.1 Ų19.116%0.16410%0.095CC..THydrogen-bonded Turntrans57.124.2176.9-54.8-168.9102.400114.8L197 A198 G199 F200 N210 A211 L212 L255L197-E214 HydrophobicContact CD1-CB 3.74Å; L197-E214 HydrophobicContact CG-CB 4.46Å; A198-E214 PolarHBondContact N-O 2.67Å; G199-E214 WeakPolarHBondContact CA-OE1 3.45Å; F200-E214 HydrophobicContact CB-CG 4.38Å; N210-E214 PolarHBondContact O-N 3.1Å; A211-E214 PolarHBondContact O-N 3.07Å; L212-E214 PolarHBondContact O-N 3.32Å; E214-L255 HydrophobicContact CG-CD1 4.19Å
215N96.2Very high97.3Very high69 Ų6918.9 Ų18.937%0.36910%0.095SC..PPolyproline II helixtrans-75.3151.7169.1-65-61.9000110.1N210 L213 Q217N210-N215 HydrophobicContact CB-CB 4.15Å; N210-N215 WeakPolarHBondContact O-CB 3.28Å; N210-N215 PolarHBondContact O-N 3.17Å; L213-N215 PolarHBondContact O-N 2.92Å; N215-Q217 PolarHBondContact O-N 3.05Å; N215-Q217 VanDerWaalsContact O-N 3.1Å
216E96Very high97.5Very high14 Ų1418 Ų187%0.0659%0.09CC..PPolyproline II helixtrans-59.8121.5177.4-173.673.3-8900111.3R182 P194 R195 A198 H292R182-E216 IonicContact NE-OE1 3.4Å; R182-E216 IonicContact NE-OE2 3.11Å; P194-E216 HydrophobicContact CB-CB 3.62Å; P194-E216 HydrophobicContact CB-CG 4.28Å; R195-E216 WeakPolarHBondContact CG-OE2 3.37Å; R195-E216 IonicContact CZ-OE1 3.9Å; R195-E216 IonicContact CZ-OE2 3.87Å; R195-E216 IonicContact NE-OE1 3.9Å; R195-E216 IonicContact NE-OE2 3.46Å; R195-E216 PolarHBondContact NE-OE2 3.03Å; R195-E216 IonicContact NH2-OE1 3.96Å; R195-E216 PolarHBondContact NH2-OE1 2.79Å; R195-E216 IonicContact NH2-OE2 2.76Å; R195-E216 PolarHBondContact NH2-OE2 3.11Å; A198-E216 HydrophobicContact CB-CB 4.36Å; E216-H292 PolarHBondContact O-CE1 3.05Å; E216-H292 PolarHBondContact O-ND1 3.04Å
217Q97.2Very high97.5Very high11 Ų1117.8 Ų17.85%0.0519%0.089CC..PPolyproline II helixtrans-71.1144.1178-65.1-173.859.400110.8R154 A211 N215 D221R154-Q217 HydrophobicContact CG-CB 4.03Å; A211-Q217 HydrophobicContact CB-CG 3.73Å; N215-Q217 PolarHBondContact O-N 3.05Å; N215-Q217 VanDerWaalsContact O-N 3.1Å; Q217-D221 WeakPolarHBondContact CA-OD2 3.09Å; Q217-D221 HydrophobicContact CB-CB 4.22Å; Q217-D221 HydrophobicContact CG-CB 4.32Å
218S97.3Very high97.6Very high0 Ų017.4 Ų17.40%09%0.086CC..  trans-142.2-174.7-178.9630000109.4R220 D221 H292S218-R220 PolarHBondContact O-N 3.39Å; S218-R220 WeakPolarHBondContact OG-CG 3.26Å; S218-D221 PolarHBondContact N-OD2 3.06Å; S218-D221 WeakPolarHBondContact O-CB 3.43Å; S218-D221 PolarHBondContact O-N 3.16Å; S218-D221 PolarHBondContact OG-OD2 3.41Å; S218-D221 VanDerWaalsContact OG-OD2 3.13Å; S218-H292 VanDerWaalsContact CB-O 3.23Å; S218-H292 WeakPolarHBondContact CB-O 3.49Å; S218-H292 PolarHBondContact OG-O 3.41Å
219R98.3Very high97.6Very high29 Ų2917.4 Ų17.411%0.1099%0.086CC..Hα-helixtrans-53.9-31-179.3-60.8176.1-79.8-157.2-5.1113.6H147 V152 F184 D221 M223 Y293 P296H147-R219 HydrophobicContact CB-CG 4.28Å; H147-R219 WeakPolarHBondContact NE2-CA 3.39Å; V152-R219 HydrophobicContact CG1-CG 4.25Å; F184-R219 HydrophobicContact CD1-CG 4.32Å; F184-R219 HydrophobicContact CD2-CG 4.5Å; F184-R219 HydrophobicContact CE1-CG 3.85Å; F184-R219 HydrophobicContact CE2-CG 4.09Å; F184-R219 VanDerWaalsContact CZ-CD 3.47Å; F184-R219 HydrophobicContact CZ-CG 3.75Å; R219-D221 PolarHBondContact O-N 3.19Å; R219-M223 VanDerWaalsContact O-CG 3.27Å; R219-M223 WeakPolarHBondContact O-CG 3.18Å; R219-M223 PolarHBondContact O-N 3.18Å; R219-Y293 PolarHBondContact NH2-O 3.4Å; R219-P296 HydrophobicContact CB-CG 3.87Å
220R97.8Very high97.6Very high32 Ų3216.2 Ų16.212%0.1218%0.079CC..Hα-helixtrans-64.1-30.5178.878-168.4172162.9-3.1112.4N210 S218 M223 W224 Y290N210-R220 VanDerWaalsContact CG-CZ 3.47Å; N210-R220 VanDerWaalsContact ND2-CZ 3.35Å; N210-R220 PolarHBondContact ND2-NE 3.16Å; N210-R220 PolarHBondContact OD1-NH2 3.16Å; N210-R220 VanDerWaalsContact OD1-NH2 3.15Å; S218-R220 PolarHBondContact O-N 3.39Å; S218-R220 WeakPolarHBondContact OG-CG 3.26Å; R220-M223 WeakPolarHBondContact O-CB 3.26Å; R220-M223 PolarHBondContact O-N 3.48Å; R220-W224 PolarHBondContact O-N 2.85Å; R220-Y290 HydrophobicContact CB-CD2 4.36Å; R220-Y290 HydrophobicContact CB-CG 4.49Å; R220-Y290 VanDerWaalsContact CD-O 3.3Å; R220-Y290 WeakPolarHBondContact CD-O 3.36Å; R220-Y290 PolarHBondContact NH1-O 3.23Å
221D98.3Very high97.7Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-78-41.5-171.5-57.1-66.7000110.1S208 N210 Q217 S218 R219 M223 W224 S225S208-D221 WeakPolarHBondContact CB-OD1 3.45Å; S208-D221 PolarHBondContact OG-OD1 2.98Å; N210-D221 WeakPolarHBondContact CB-OD1 3.43Å; N210-D221 PolarHBondContact ND2-OD1 3.41Å; Q217-D221 WeakPolarHBondContact CA-OD2 3.09Å; Q217-D221 HydrophobicContact CB-CB 4.22Å; Q217-D221 HydrophobicContact CG-CB 4.32Å; S218-D221 PolarHBondContact N-OD2 3.06Å; S218-D221 WeakPolarHBondContact O-CB 3.43Å; S218-D221 PolarHBondContact O-N 3.16Å; S218-D221 PolarHBondContact OG-OD2 3.41Å; S218-D221 VanDerWaalsContact OG-OD2 3.13Å; R219-D221 PolarHBondContact O-N 3.19Å; D221-M223 VanDerWaalsContact C-N 3.26Å; D221-M223 PolarHBondContact O-N 2.89Å; D221-W224 WeakPolarHBondContact O-CB 3.37Å; D221-W224 PolarHBondContact O-N 3.46Å; D221-S225 PolarHBondContact O-N 2.66Å; D221-S225 PolarHBondContact O-OG 2.96Å
222D98.6Very high97.8Very high2 Ų215.4 Ų15.41%0.0117%0.073CC..Hα-helixtrans-58.8-38168.4-73.3-14.8000111.7I143 H147 V152 H153 R154 V156 S225 W226I143-D222 HydrophobicContact CG2-CB 4.2Å; H147-D222 IonicContact CD2-OD2 2.76Å; H147-D222 IonicContact CE1-OD2 3.49Å; H147-D222 IonicContact NE2-OD2 3.67Å; H147-D222 PolarHBondContact NE2-OD2 3.24Å; H147-D222 VanDerWaalsContact NE2-OD2 3.11Å; V152-D222 VanDerWaalsContact CA-OD2 3.29Å; V152-D222 WeakPolarHBondContact CA-OD2 3.44Å; H153-D222 PolarHBondContact N-OD1 3.17Å; H153-D222 PolarHBondContact N-OD2 3.31Å; R154-D222 PolarHBondContact N-OD1 2.78Å; V156-D222 HydrophobicContact CG2-CB 3.89Å; D222-S225 PolarHBondContact O-N 3.36Å; D222-W226 WeakPolarHBondContact O-CB 3.47Å; D222-W226 PolarHBondContact O-N 3.12Å
223M98.7Very high97.8Very high0 Ų015.3 Ų15.30%07%0.072CC..Hα-helixtrans-68.7-35.6177.1-68.5-64.3-53.400113.1L140 I143 R219 R220 D221 W226 F227 L287 P296 Y298 F301L140-M223 HydrophobicContact CD1-CE 3.53Å; L140-M223 HydrophobicContact CD1-SD 3.56Å; L140-M223 VanDerWaalsContact CD1-SD 3.56Å; I143-M223 HydrophobicContact CG2-SD 4.31Å; R219-M223 VanDerWaalsContact O-CG 3.27Å; R219-M223 WeakPolarHBondContact O-CG 3.18Å; R219-M223 PolarHBondContact O-N 3.18Å; R220-M223 WeakPolarHBondContact O-CB 3.26Å; R220-M223 PolarHBondContact O-N 3.48Å; D221-M223 VanDerWaalsContact C-N 3.26Å; D221-M223 PolarHBondContact O-N 2.89Å; M223-W226 HydrophobicContact CE-CE3 3.9Å; M223-W226 HydrophobicContact CE-CZ3 4.08Å; M223-F227 PolarHBondContact O-N 3.41Å; M223-L287 HydrophobicContact CB-CD2 3.7Å; M223-L287 HydrophobicContact CE-CD2 4.34Å; M223-P296 HydrophobicContact CG-CB 4.04Å; M223-P296 HydrophobicContact CG-CG 3.76Å; M223-P296 HydrophobicContact SD-CB 4.33Å; M223-Y298 HydrophobicContact SD-CD1 4.15Å; M223-Y298 HydrophobicContact SD-CE1 3.89Å; M223-F301 HydrophobicContact CE-CD2 3.75Å; M223-F301 HydrophobicContact CE-CE2 3.67Å; M223-F301 HydrophobicContact CE-CG 4.3Å; M223-F301 HydrophobicContact CE-CZ 4.16Å
224W98.4Very high97.9Very high19 Ų1911.7 Ų11.77%0.0725%0.053CC..Hα-helixtrans-64.7-45.7172.9-85.9113.9000111.4R220 D221 W226 F227 F228 I266 L284 L287R220-W224 PolarHBondContact O-N 2.85Å; D221-W224 WeakPolarHBondContact O-CB 3.37Å; D221-W224 PolarHBondContact O-N 3.46Å; W224-W226 VanDerWaalsContact C-N 3.35Å; W224-W226 PolarHBondContact O-N 3.31Å; W224-F227 HydrophobicContact CE3-CD1 4.32Å; W224-F227 HydrophobicContact CZ3-CD1 4.25Å; W224-F227 WeakPolarHBondContact O-CB 3.31Å; W224-F227 PolarHBondContact O-N 3.24Å; W224-F227 VanDerWaalsContact O-N 3.16Å; W224-F228 HydrophobicContact CB-CE2 4.2Å; W224-F228 HydrophobicContact CD2-CZ 4.38Å; W224-F228 AromaticContact CE3-CE1 3.87Å; W224-F228 HydrophobicContact CE3-CE1 3.87Å; W224-F228 HydrophobicContact CE3-CE2 4.21Å; W224-F228 AromaticContact CE3-CZ 3.55Å; W224-F228 HydrophobicContact CE3-CZ 3.55Å; W224-F228 HydrophobicContact CZ3-CE1 4.13Å; W224-F228 HydrophobicContact CZ3-CZ 4.08Å; W224-F228 VanDerWaalsContact O-CD2 3.26Å; W224-F228 WeakPolarHBondContact O-CD2 3.46Å; W224-F228 WeakPolarHBondContact O-CG 3.35Å; W224-F228 PolarHBondContact O-N 3.02Å; W224-I266 HydrophobicContact CH2-CD1 4.02Å; W224-I266 HydrophobicContact CH2-CG1 4.32Å; W224-I266 HydrophobicContact CH2-CG2 4.26Å; W224-I266 HydrophobicContact CZ3-CD1 3.95Å; W224-I266 HydrophobicContact CZ3-CG1 4.14Å; W224-L284 HydrophobicContact CH2-CD1 3.7Å; W224-L284 HydrophobicContact CZ3-CD1 3.65Å; W224-L287 HydrophobicContact CD2-CB 4.27Å; W224-L287 HydrophobicContact CD2-CD1 4.47Å; W224-L287 HydrophobicContact CE3-CB 4.4Å; W224-L287 HydrophobicContact CE3-CD1 4.15Å; W224-L287 HydrophobicContact CH2-CB 3.86Å; W224-L287 HydrophobicContact CZ2-CB 3.69Å; W224-L287 HydrophobicContact CZ3-CB 4.21Å; W224-L287 HydrophobicContact CZ3-CD1 4.32Å
225S98.6Very high98Very high6 Ų610.6 Ų10.64%0.0425%0.049CC..Hα-helixtrans-61.9-42.2176.8-62.90000112.6V156 Y206 D221 D222 F227 F228 M229V156-S225 WeakPolarHBondContact O-CB 3.31Å; Y206-S225 WeakPolarHBondContact O-CA 3.38Å; Y206-S225 VanDerWaalsContact O-CB 3.26Å; Y206-S225 WeakPolarHBondContact O-CB 3.48Å; Y206-S225 PolarHBondContact O-OG 3.01Å; D221-S225 PolarHBondContact O-N 2.66Å; D221-S225 PolarHBondContact O-OG 2.96Å; D222-S225 PolarHBondContact O-N 3.36Å; S225-F227 VanDerWaalsContact C-N 3.32Å; S225-F227 PolarHBondContact O-N 2.61Å; S225-F228 PolarHBondContact O-N 3.27Å; S225-M229 WeakPolarHBondContact O-CB 3.43Å; S225-M229 PolarHBondContact O-N 3.04Å
226W98.8Very high98Very high0 Ų08.1 Ų8.10%04%0.04CC..Hα-helixtrans-56.3-45.3171.4169.480000112.2G136 T139 L140 I143 V156 D222 M223 W224 M229 L230 I283 F301 L305G136-W226 PolarHBondContact O-NE1 3.09Å; T139-W226 VanDerWaalsContact OG1-CD1 3.25Å; T139-W226 PolarHBondContact OG1-NE1 2.68Å; L140-W226 HydrophobicContact CB-CZ2 4.02Å; L140-W226 HydrophobicContact CD1-CD2 4.49Å; L140-W226 HydrophobicContact CD1-CZ2 4.43Å; L140-W226 HydrophobicContact CD2-CH2 4.26Å; L140-W226 HydrophobicContact CD2-CZ2 3.98Å; L140-W226 HydrophobicContact CG-CZ2 4.38Å; I143-W226 HydrophobicContact CD1-CB 3.77Å; I143-W226 HydrophobicContact CD1-CG 4.13Å; V156-W226 HydrophobicContact CG1-CB 4.31Å; D222-W226 WeakPolarHBondContact O-CB 3.47Å; D222-W226 PolarHBondContact O-N 3.12Å; M223-W226 HydrophobicContact CE-CE3 3.9Å; M223-W226 HydrophobicContact CE-CZ3 4.08Å; W224-W226 VanDerWaalsContact C-N 3.35Å; W224-W226 PolarHBondContact O-N 3.31Å; W226-M229 WeakPolarHBondContact O-CB 3.32Å; W226-M229 PolarHBondContact O-N 2.98Å; W226-L230 HydrophobicContact CD2-CD1 4.24Å; W226-L230 HydrophobicContact CH2-CD1 4.05Å; W226-L230 HydrophobicContact CZ2-CD1 3.55Å; W226-L230 WeakPolarHBondContact O-CG 3.45Å; W226-L230 PolarHBondContact O-N 3.38Å; W226-I283 HydrophobicContact CH2-CD1 4.44Å; W226-I283 HydrophobicContact CZ3-CG2 3.91Å; W226-F301 HydrophobicContact CH2-CB 4.08Å; W226-F301 HydrophobicContact CH2-CG 4.5Å; W226-F301 HydrophobicContact CZ3-CD1 4.34Å; W226-F301 HydrophobicContact CZ3-CG 4.49Å; W226-L305 HydrophobicContact CH2-CD1 4.22Å; W226-L305 HydrophobicContact CZ2-CD1 3.79Å
227F98.8Very high97.9Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-64.4-47178.9176.6-107000112.6M223 W224 S225 M229 L230 V231 L272 L273 F280 I283 L284 L287M223-F227 PolarHBondContact O-N 3.41Å; W224-F227 HydrophobicContact CE3-CD1 4.32Å; W224-F227 HydrophobicContact CZ3-CD1 4.25Å; W224-F227 WeakPolarHBondContact O-CB 3.31Å; W224-F227 PolarHBondContact O-N 3.24Å; W224-F227 VanDerWaalsContact O-N 3.16Å; S225-F227 VanDerWaalsContact C-N 3.32Å; S225-F227 PolarHBondContact O-N 2.61Å; F227-M229 VanDerWaalsContact C-N 3.26Å; F227-M229 PolarHBondContact O-N 3.28Å; F227-L230 PolarHBondContact O-N 3.35Å; F227-L230 VanDerWaalsContact O-N 3.16Å; F227-V231 HydrophobicContact CD1-CG2 4.21Å; F227-V231 HydrophobicContact CD2-CG2 4.35Å; F227-V231 HydrophobicContact CE1-CG2 3.82Å; F227-V231 HydrophobicContact CE2-CG2 3.99Å; F227-V231 HydrophobicContact CG-CG2 4.48Å; F227-V231 HydrophobicContact CZ-CG2 3.73Å; F227-V231 WeakPolarHBondContact O-CG2 3.35Å; F227-V231 PolarHBondContact O-N 3.41Å; F227-L272 HydrophobicContact CE1-CD2 4.19Å; F227-L273 HydrophobicContact CE1-CD2 4.3Å; F227-L273 HydrophobicContact CE2-CD2 4.4Å; F227-L273 HydrophobicContact CZ-CD2 3.57Å; F227-F280 HydrophobicContact CD2-CD1 4.39Å; F227-F280 HydrophobicContact CE2-CB 4.41Å; F227-F280 AromaticContact CE2-CD1 3.76Å; F227-F280 HydrophobicContact CE2-CD1 3.76Å; F227-F280 HydrophobicContact CE2-CE1 4.47Å; F227-F280 HydrophobicContact CE2-CG 4.44Å; F227-I283 HydrophobicContact CD2-CB 4.31Å; F227-I283 HydrophobicContact CD2-CG2 3.51Å; F227-I283 HydrophobicContact CE2-CB 4.11Å; F227-I283 HydrophobicContact CE2-CG2 3.8Å; F227-I283 HydrophobicContact CG-CG2 4.45Å; F227-L284 HydrophobicContact CE1-CB 4.42Å; F227-L284 HydrophobicContact CE1-CD1 3.83Å; F227-L284 HydrophobicContact CZ-CB 3.87Å; F227-L284 HydrophobicContact CZ-CD1 4.14Å; F227-L284 HydrophobicContact CZ-CG 4.47Å; F227-L287 HydrophobicContact CB-CD1 3.5Å; F227-L287 VanDerWaalsContact CB-CD1 3.5Å; F227-L287 HydrophobicContact CD1-CD1 4.18Å; F227-L287 HydrophobicContact CD2-CD1 4.12Å; F227-L287 HydrophobicContact CG-CD1 3.68Å
228F98.6Very high97.9Very high0 Ų013.4 Ų13.40%06%0.063CC..Hα-helixtrans-62.3-35.5178-61.6-37.4000112.3Y206 W224 S225 V231 R232 L238 W240 K262 I266Y206-F228 HydrophobicContact CD1-CB 4.34Å; Y206-F228 WeakPolarHBondContact O-CD2 3.35Å; W224-F228 HydrophobicContact CB-CE2 4.2Å; W224-F228 HydrophobicContact CD2-CZ 4.38Å; W224-F228 AromaticContact CE3-CE1 3.87Å; W224-F228 HydrophobicContact CE3-CE1 3.87Å; W224-F228 HydrophobicContact CE3-CE2 4.21Å; W224-F228 AromaticContact CE3-CZ 3.55Å; W224-F228 HydrophobicContact CE3-CZ 3.55Å; W224-F228 HydrophobicContact CZ3-CE1 4.13Å; W224-F228 HydrophobicContact CZ3-CZ 4.08Å; W224-F228 VanDerWaalsContact O-CD2 3.26Å; W224-F228 WeakPolarHBondContact O-CD2 3.46Å; W224-F228 WeakPolarHBondContact O-CG 3.35Å; W224-F228 PolarHBondContact O-N 3.02Å; S225-F228 PolarHBondContact O-N 3.27Å; F228-V231 PolarHBondContact O-N 3.4Å; F228-R232 WeakPolarHBondContact O-CB 3.41Å; F228-R232 PolarHBondContact O-N 2.88Å; F228-L238 HydrophobicContact CB-CD1 4.14Å; F228-L238 HydrophobicContact CB-CD2 4.25Å; F228-W240 HydrophobicContact CB-CZ2 4.45Å; F228-W240 AromaticContact CD1-CH2 3.65Å; F228-W240 HydrophobicContact CD1-CH2 3.65Å; F228-W240 AromaticContact CD1-CZ2 3.82Å; F228-W240 HydrophobicContact CD1-CZ2 3.82Å; F228-W240 HydrophobicContact CD2-CZ2 4.15Å; F228-W240 AromaticContact CE1-CH2 3.55Å; F228-W240 HydrophobicContact CE1-CH2 3.55Å; F228-W240 HydrophobicContact CE1-CZ2 4.04Å; F228-W240 HydrophobicContact CE2-CH2 4.5Å; F228-W240 HydrophobicContact CE2-CZ2 4.34Å; F228-W240 HydrophobicContact CG-CH2 4.21Å; F228-W240 AromaticContact CG-CZ2 3.89Å; F228-W240 HydrophobicContact CG-CZ2 3.89Å; F228-W240 HydrophobicContact CZ-CH2 4Å; F228-W240 HydrophobicContact CZ-CZ2 4.29Å; F228-K262 HydrophobicContact CE2-CD 4.44Å; F228-I266 HydrophobicContact CE1-CG1 4.5Å; F228-I266 HydrophobicContact CZ-CD1 4.14Å
229M98.3Very high97.8Very high0 Ų015.9 Ų15.90%08%0.079CC..Hα-helixtrans-58.3-48.9172.7-178.4176.671.300111.8L109 I135 T139 P158 F161 Y206 S225 W226 F227 R232 F233L109-M229 HydrophobicContact CD1-SD 4.48Å; I135-M229 HydrophobicContact CG2-CE 4.31Å; T139-M229 HydrophobicContact CG2-CE 3.92Å; P158-M229 HydrophobicContact CG-CG 3.79Å; P158-M229 HydrophobicContact CG-SD 3.99Å; F161-M229 HydrophobicContact CD2-CE 4.19Å; F161-M229 HydrophobicContact CD2-SD 3.99Å; F161-M229 HydrophobicContact CE2-CE 4.03Å; F161-M229 HydrophobicContact CE2-SD 4.15Å; Y206-M229 HydrophobicContact CD1-CB 4.35Å; Y206-M229 HydrophobicContact CE1-CB 4.44Å; S225-M229 WeakPolarHBondContact O-CB 3.43Å; S225-M229 PolarHBondContact O-N 3.04Å; W226-M229 WeakPolarHBondContact O-CB 3.32Å; W226-M229 PolarHBondContact O-N 2.98Å; F227-M229 VanDerWaalsContact C-N 3.26Å; F227-M229 PolarHBondContact O-N 3.28Å; M229-R232 PolarHBondContact O-N 3.44Å; M229-F233 HydrophobicContact CG-CD2 4.15Å; M229-F233 HydrophobicContact CG-CE2 3.54Å; M229-F233 HydrophobicContact CG-CZ 3.93Å; M229-F233 WeakPolarHBondContact O-CD2 3.15Å; M229-F233 WeakPolarHBondContact O-CG 3.43Å; M229-F233 PolarHBondContact O-N 3.03Å; M229-F233 HydrophobicContact SD-CE2 4.14Å; M229-F233 HydrophobicContact SD-CZ 4.45Å
230L98.7Very high97.7Very high0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-65.7-41.1178.6-60.7-174.8000112.6I132 I135 W226 F227 R232 F233 Y234 F280I132-L230 HydrophobicContact CG2-CB 4.49Å; I132-L230 HydrophobicContact CG2-CD2 4.17Å; I135-L230 HydrophobicContact CG2-CD2 3.93Å; W226-L230 HydrophobicContact CD2-CD1 4.24Å; W226-L230 HydrophobicContact CH2-CD1 4.05Å; W226-L230 HydrophobicContact CZ2-CD1 3.55Å; W226-L230 WeakPolarHBondContact O-CG 3.45Å; W226-L230 PolarHBondContact O-N 3.38Å; F227-L230 PolarHBondContact O-N 3.35Å; F227-L230 VanDerWaalsContact O-N 3.16Å; L230-R232 VanDerWaalsContact C-N 3.32Å; L230-R232 PolarHBondContact O-N 2.91Å; L230-F233 PolarHBondContact O-N 3.14Å; L230-Y234 WeakPolarHBondContact O-CD2 3.37Å; L230-Y234 PolarHBondContact O-N 3.14Å; L230-Y234 VanDerWaalsContact O-N 3.07Å; L230-F280 HydrophobicContact CB-CE1 3.83Å; L230-F280 HydrophobicContact CB-CZ 4.16Å; L230-F280 HydrophobicContact CD1-CE1 4.45Å; L230-F280 HydrophobicContact CD1-CZ 4.23Å
231V98.4Very high97.6Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-60.2-44.6175.4172.80000110.2F227 F228 F233 Y234 S235 L238 L272 L273 F280F227-V231 HydrophobicContact CD1-CG2 4.21Å; F227-V231 HydrophobicContact CD2-CG2 4.35Å; F227-V231 HydrophobicContact CE1-CG2 3.82Å; F227-V231 HydrophobicContact CE2-CG2 3.99Å; F227-V231 HydrophobicContact CG-CG2 4.48Å; F227-V231 HydrophobicContact CZ-CG2 3.73Å; F227-V231 WeakPolarHBondContact O-CG2 3.35Å; F227-V231 PolarHBondContact O-N 3.41Å; F228-V231 PolarHBondContact O-N 3.4Å; V231-F233 VanDerWaalsContact C-N 3.35Å; V231-F233 PolarHBondContact O-N 2.9Å; V231-Y234 PolarHBondContact O-N 3.38Å; V231-S235 WeakPolarHBondContact O-CB 3.42Å; V231-S235 PolarHBondContact O-N 3.07Å; V231-S235 PolarHBondContact O-OG 3.26Å; V231-L238 HydrophobicContact CB-CD2 4.18Å; V231-L238 HydrophobicContact CG1-CD2 3.92Å; V231-L272 HydrophobicContact CG1-CD1 4.02Å; V231-L272 VanDerWaalsContact CG1-O 3.24Å; V231-L272 WeakPolarHBondContact CG1-O 3.44Å; V231-L273 HydrophobicContact CG2-CD2 3.93Å; V231-F280 HydrophobicContact CG2-CD1 4.27Å
232R98Very high97.3Very high18 Ų1820.9 Ų20.97%0.06811%0.112CC..Hα-helixtrans-60.6-43.2176.4-175.4179.1163-106-0.5111.7E110 Y126 Y206 F228 M229 L230 Y234 S235 G236 L238E110-R232 IonicContact OE1-CZ 2.74Å; E110-R232 IonicContact OE1-NH1 3.77Å; E110-R232 PolarHBondContact OE1-NH1 3.35Å; E110-R232 IonicContact OE1-NH2 3.37Å; E110-R232 PolarHBondContact OE1-NH2 3.3Å; E110-R232 IonicContact OE2-CZ 2.63Å; E110-R232 IonicContact OE2-NH1 3.87Å; E110-R232 PolarHBondContact OE2-NH1 2.93Å; E110-R232 IonicContact OE2-NH2 3.51Å; Y126-R232 HydrophobicContact CE2-CG 4.25Å; Y126-R232 PolarHBondContact OH-NH2 3.25Å; Y126-R232 VanDerWaalsContact OH-NH2 3.08Å; Y206-R232 HydrophobicContact CE1-CB 4.49Å; Y206-R232 VanDerWaalsContact OH-CD 3.24Å; Y206-R232 WeakPolarHBondContact OH-CD 3.43Å; Y206-R232 PolarHBondContact OH-NH1 3.42Å; F228-R232 WeakPolarHBondContact O-CB 3.41Å; F228-R232 PolarHBondContact O-N 2.88Å; M229-R232 PolarHBondContact O-N 3.44Å; L230-R232 VanDerWaalsContact C-N 3.32Å; L230-R232 PolarHBondContact O-N 2.91Å; R232-Y234 VanDerWaalsContact C-N 3.3Å; R232-Y234 PolarHBondContact O-N 2.81Å; R232-S235 PolarHBondContact O-N 3.03Å; R232-G236 WeakPolarHBondContact O-CA 3.16Å; R232-G236 PolarHBondContact O-N 3.29Å; R232-L238 HydrophobicContact CB-CD1 4.34Å; R232-L238 HydrophobicContact CB-CD2 4.38Å; R232-L238 HydrophobicContact CB-CG 4.03Å
233F98.4Very high97Very high0 Ų022.5 Ų22.50%012%0.121CC..Hα-helixtrans-62.6-36.3178.1-67.2-34.1000113.4L109 A113 N125 Y126 F127 I132 I135 P158 M229 L230 V231L109-F233 HydrophobicContact CB-CZ 4.11Å; L109-F233 HydrophobicContact CD1-CE2 4.43Å; A113-F233 HydrophobicContact CB-CD1 4.35Å; A113-F233 HydrophobicContact CB-CE1 3.88Å; N125-F233 VanDerWaalsContact CA-O 3.29Å; N125-F233 WeakPolarHBondContact CA-O 3.28Å; Y126-F233 HydrophobicContact CD2-CD1 4.1Å; Y126-F233 HydrophobicContact CG-CD1 4.34Å; Y126-F233 PolarHBondContact N-O 2.78Å; F127-F233 HydrophobicContact CD2-CB 4.35Å; F127-F233 HydrophobicContact CD2-CD1 4.11Å; F127-F233 HydrophobicContact CD2-CD2 4.38Å; F127-F233 HydrophobicContact CD2-CE1 4.49Å; F127-F233 HydrophobicContact CD2-CG 4.06Å; F127-F233 AromaticContact CE2-CD1 3.95Å; F127-F233 HydrophobicContact CE2-CD1 3.95Å; F127-F233 HydrophobicContact CE2-CD2 4.38Å; F127-F233 AromaticContact CE2-CE1 3.89Å; F127-F233 HydrophobicContact CE2-CE1 3.89Å; F127-F233 HydrophobicContact CE2-CE2 4.3Å; F127-F233 HydrophobicContact CE2-CG 4.21Å; F127-F233 HydrophobicContact CE2-CZ 4.05Å; I132-F233 HydrophobicContact CD1-CB 4.02Å; I132-F233 WeakPolarHBondContact CD1-O 3.38Å; I132-F233 HydrophobicContact CG1-CB 3.93Å; I132-F233 HydrophobicContact CG2-CB 4.03Å; I135-F233 HydrophobicContact CD1-CD2 4.24Å; I135-F233 HydrophobicContact CD1-CE2 4.14Å; I135-F233 HydrophobicContact CG2-CD2 4.19Å; I135-F233 HydrophobicContact CG2-CE2 3.85Å; P158-F233 HydrophobicContact CB-CE1 4.37Å; P158-F233 HydrophobicContact CB-CZ 3.89Å; P158-F233 HydrophobicContact CG-CE1 3.99Å; P158-F233 HydrophobicContact CG-CZ 3.64Å; M229-F233 HydrophobicContact CG-CD2 4.15Å; M229-F233 HydrophobicContact CG-CE2 3.54Å; M229-F233 HydrophobicContact CG-CZ 3.93Å; M229-F233 WeakPolarHBondContact O-CD2 3.15Å; M229-F233 WeakPolarHBondContact O-CG 3.43Å; M229-F233 PolarHBondContact O-N 3.03Å; M229-F233 HydrophobicContact SD-CE2 4.14Å; M229-F233 HydrophobicContact SD-CZ 4.45Å; L230-F233 PolarHBondContact O-N 3.14Å; V231-F233 VanDerWaalsContact C-N 3.35Å; V231-F233 PolarHBondContact O-N 2.9Å
234Y97.9Very high96.7Very high10 Ų1031 Ų314%0.03916%0.161CC..Hα-helixtrans-71-46.3172-87.2-68.6000112R124 P129 I132 L133 L230 V231 R232 P277 F280R124-Y234 PolarHBondContact NH1-O 3.44Å; P129-Y234 HydrophobicContact CB-CE1 3.96Å; P129-Y234 HydrophobicContact CG-CE1 4.32Å; P129-Y234 PolarHBondContact O-OH 3.29Å; I132-Y234 HydrophobicContact CB-CD2 4.41Å; I132-Y234 HydrophobicContact CB-CE2 3.92Å; I132-Y234 HydrophobicContact CD1-CD1 3.62Å; I132-Y234 HydrophobicContact CD1-CD2 4.06Å; I132-Y234 HydrophobicContact CD1-CE1 3.77Å; I132-Y234 HydrophobicContact CD1-CE2 4.21Å; I132-Y234 HydrophobicContact CD1-CG 3.75Å; I132-Y234 HydrophobicContact CG2-CD2 3.64Å; I132-Y234 HydrophobicContact CG2-CE2 3.37Å; I132-Y234 HydrophobicContact CG2-CG 4.42Å; L133-Y234 WeakPolarHBondContact CG-OH 3.49Å; L230-Y234 WeakPolarHBondContact O-CD2 3.37Å; L230-Y234 PolarHBondContact O-N 3.14Å; L230-Y234 VanDerWaalsContact O-N 3.07Å; V231-Y234 PolarHBondContact O-N 3.38Å; R232-Y234 VanDerWaalsContact C-N 3.3Å; R232-Y234 PolarHBondContact O-N 2.81Å; Y234-P277 HydrophobicContact CE1-CG 4.14Å; Y234-P277 HydrophobicContact CE2-CG 4.11Å; Y234-P277 WeakPolarHBondContact OH-CG 3.5Å; Y234-F280 HydrophobicContact CD2-CE1 4.17Å; Y234-F280 HydrophobicContact CD2-CZ 4.07Å; Y234-F280 HydrophobicContact CE2-CE1 4.21Å; Y234-F280 HydrophobicContact CE2-CE2 4.07Å; Y234-F280 AromaticContact CE2-CZ 3.63Å; Y234-F280 HydrophobicContact CE2-CZ 3.63Å
235S96.1Very high96.3Very high12 Ų1232.8 Ų32.88%0.08417%0.171CC..Hα-helixtrans-86.5-18.7-166.5-68.20000114.8R124 V231 R232 K237R124-S235 WeakPolarHBondContact CG-O 3.39Å; V231-S235 WeakPolarHBondContact O-CB 3.42Å; V231-S235 PolarHBondContact O-N 3.07Å; V231-S235 PolarHBondContact O-OG 3.26Å; R232-S235 PolarHBondContact O-N 3.03Å; S235-K237 WeakPolarHBondContact CB-O 3.42Å; S235-K237 PolarHBondContact O-N 3.27Å; S235-K237 VanDerWaalsContact O-N 3.16Å
236G95.9Very high96Very high18 Ų1836 Ų3619%0.18619%0.192CC..SBendtrans77.2-26.6-168.600000113.2R124 Y126 R232R124-G236 WeakPolarHBondContact O-CA 3.41Å; R124-G236 PolarHBondContact O-N 3.31Å; Y126-G236 VanDerWaalsContact CE2-O 3.3Å; Y126-G236 WeakPolarHBondContact CE2-O 3.46Å; Y126-G236 PolarHBondContact OH-O 3.41Å; R232-G236 WeakPolarHBondContact O-CA 3.16Å; R232-G236 PolarHBondContact O-N 3.29Å
237K95.4Very high95.5Very high133 Ų13342.3 Ų42.358%0.57823%0.23SC*.SBendtrans-147.7162.6177.862.9-178.9-179.41780111.5S235S235-K237 WeakPolarHBondContact CB-O 3.42Å; S235-K237 PolarHBondContact O-N 3.27Å; S235-K237 VanDerWaalsContact O-N 3.16Å
238L96.6Very high95.2Very high3 Ų349.4 Ų49.42%0.01627%0.268CS..  trans-97.1155.4164.3-68.3164.2000109.2L205 Y206 F228 V231 R232 W240 S241L205-L238 HydrophobicContact CD1-CB 4.46Å; L205-L238 HydrophobicContact CD1-CD1 3.86Å; L205-L238 HydrophobicContact CG-CD1 4.02Å; Y206-L238 HydrophobicContact CD1-CD1 4.31Å; Y206-L238 HydrophobicContact CE1-CD1 4.31Å; F228-L238 HydrophobicContact CB-CD1 4.14Å; F228-L238 HydrophobicContact CB-CD2 4.25Å; V231-L238 HydrophobicContact CB-CD2 4.18Å; V231-L238 HydrophobicContact CG1-CD2 3.92Å; R232-L238 HydrophobicContact CB-CD1 4.34Å; R232-L238 HydrophobicContact CB-CD2 4.38Å; R232-L238 HydrophobicContact CB-CG 4.03Å; L238-W240 HydrophobicContact CB-CD2 4.12Å; L238-W240 HydrophobicContact CB-CG 4.46Å; L238-W240 HydrophobicContact CB-CZ2 4.01Å; L238-W240 HydrophobicContact CD1-CZ2 3.81Å; L238-W240 HydrophobicContact CD2-CH2 4.23Å; L238-W240 HydrophobicContact CD2-CZ2 3.89Å; L238-W240 HydrophobicContact CG-CZ2 4.11Å; L238-W240 PolarHBondContact O-N 3.31Å; L238-S241 PolarHBondContact N-OG 3.13Å; L238-S241 VanDerWaalsContact O-CB 3.3Å; L238-S241 WeakPolarHBondContact O-CB 3.4Å; L238-S241 PolarHBondContact O-N 3.15Å; L238-S241 PolarHBondContact O-OG 3.02Å
239P96.1Very high94.8Very high51 Ų5149.7 Ų49.733%0.33127%0.27SS..THydrogen-bonded Turntrans-55.5-27.6178.7-28.937.5000114A265 E271 L272P239-A265 HydrophobicContact CB-CB 3.98Å; P239-A265 HydrophobicContact CG-CB 3.95Å; P239-E271 HydrophobicContact CG-CG 4.41Å; P239-L272 HydrophobicContact CG-CD1 4.03Å
240W96Very high94.6Very high2 Ų252.8 Ų52.81%0.00829%0.289CS..THydrogen-bonded Turntrans-100.911.2177.755.680.7000114L205 F228 L238 N242 L243 Y258 K261 K262 A265 L272L205-W240 PolarHBondContact O-NE1 3.23Å; F228-W240 HydrophobicContact CB-CZ2 4.45Å; F228-W240 AromaticContact CD1-CH2 3.65Å; F228-W240 HydrophobicContact CD1-CH2 3.65Å; F228-W240 AromaticContact CD1-CZ2 3.82Å; F228-W240 HydrophobicContact CD1-CZ2 3.82Å; F228-W240 HydrophobicContact CD2-CZ2 4.15Å; F228-W240 AromaticContact CE1-CH2 3.55Å; F228-W240 HydrophobicContact CE1-CH2 3.55Å; F228-W240 HydrophobicContact CE1-CZ2 4.04Å; F228-W240 HydrophobicContact CE2-CH2 4.5Å; F228-W240 HydrophobicContact CE2-CZ2 4.34Å; F228-W240 HydrophobicContact CG-CH2 4.21Å; F228-W240 AromaticContact CG-CZ2 3.89Å; F228-W240 HydrophobicContact CG-CZ2 3.89Å; F228-W240 HydrophobicContact CZ-CH2 4Å; F228-W240 HydrophobicContact CZ-CZ2 4.29Å; L238-W240 HydrophobicContact CB-CD2 4.12Å; L238-W240 HydrophobicContact CB-CG 4.46Å; L238-W240 HydrophobicContact CB-CZ2 4.01Å; L238-W240 HydrophobicContact CD1-CZ2 3.81Å; L238-W240 HydrophobicContact CD2-CH2 4.23Å; L238-W240 HydrophobicContact CD2-CZ2 3.89Å; L238-W240 HydrophobicContact CG-CZ2 4.11Å; L238-W240 PolarHBondContact O-N 3.31Å; W240-N242 VanDerWaalsContact C-N 3.28Å; W240-N242 PolarHBondContact O-N 3.11Å; W240-L243 WeakPolarHBondContact O-CB 3.49Å; W240-L243 PolarHBondContact O-N 2.86Å; W240-Y258 HydrophobicContact CB-CD1 4.23Å; W240-Y258 HydrophobicContact CB-CE1 4.39Å; W240-Y258 AromaticContact CD1-CD1 3.94Å; W240-Y258 HydrophobicContact CG-CD1 4.31Å; W240-Y258 WeakPolarHBondContact O-CE1 3.43Å; W240-K261 HydrophobicContact CB-CB 4.21Å; W240-K262 HydrophobicContact CD2-CD 4.38Å; W240-K262 HydrophobicContact CD2-CG 3.49Å; W240-K262 VanDerWaalsContact CD2-CG 3.49Å; W240-K262 HydrophobicContact CE3-CB 4.28Å; W240-K262 HydrophobicContact CE3-CG 3.57Å; W240-K262 HydrophobicContact CG-CG 4.12Å; W240-K262 HydrophobicContact CH2-CB 4.49Å; W240-K262 HydrophobicContact CH2-CG 3.82Å; W240-K262 HydrophobicContact CZ2-CD 4.14Å; W240-K262 HydrophobicContact CZ2-CG 3.75Å; W240-K262 HydrophobicContact CZ3-CB 4.22Å; W240-K262 HydrophobicContact CZ3-CG 3.74Å; W240-A265 HydrophobicContact CE3-CB 3.98Å; W240-A265 HydrophobicContact CZ3-CB 3.62Å; W240-L272 HydrophobicContact CH2-CD1 4.03Å; W240-L272 HydrophobicContact CZ3-CD1 4.09Å
241S94.3Very high94.2Very high26 Ų2655.1 Ų55.118%0.18230%0.299CS..THydrogen-bonded Turntrans-61.1-36.6-179.3-78.70000113L238L238-S241 PolarHBondContact N-OG 3.13Å; L238-S241 VanDerWaalsContact O-CB 3.3Å; L238-S241 WeakPolarHBondContact O-CB 3.4Å; L238-S241 PolarHBondContact O-N 3.15Å; L238-S241 PolarHBondContact O-OG 3.02Å
242N91.7Very high93.9Very high138 Ų13859.1 Ų59.174%0.73832%0.318SS*.THydrogen-bonded Turntrans-111.538-178-58.4-8.6000110.5W240 E244W240-N242 VanDerWaalsContact C-N 3.28Å; W240-N242 PolarHBondContact O-N 3.11Å; N242-E244 PolarHBondContact O-N 3.42Å; N242-E244 VanDerWaalsContact O-N 3.14Å
243L92.7Very high93.7Very high36 Ų3662.6 Ų62.619%0.18834%0.335CS..  trans-65.1113.4178.5179.759000109.4W240 L245 L257 Y258 K261W240-L243 WeakPolarHBondContact O-CB 3.49Å; W240-L243 PolarHBondContact O-N 2.86Å; L243-L245 HydrophobicContact CD2-CD2 4.27Å; L243-L245 HydrophobicContact CG-CD2 4.33Å; L243-L245 PolarHBondContact O-N 3.45Å; L243-L257 HydrophobicContact CD2-CB 4.23Å; L243-Y258 HydrophobicContact CB-CE1 4.18Å; L243-Y258 HydrophobicContact CD2-CD1 3.88Å; L243-Y258 HydrophobicContact CD2-CD2 4.06Å; L243-Y258 HydrophobicContact CD2-CE1 4.03Å; L243-Y258 HydrophobicContact CD2-CE2 4.2Å; L243-Y258 HydrophobicContact CD2-CG 3.9Å; L243-K261 HydrophobicContact CD1-CD 4.42Å; L243-K261 HydrophobicContact CD1-CG 3.88Å; L243-K261 HydrophobicContact CD2-CG 4.22Å
244E92Very high93.5Very high180 Ų18062.7 Ų62.784%0.84134%0.335SS*.PPolyproline II helixtrans-73.3118.8172.9-66.7-178.8177.600109.4N242N242-E244 PolarHBondContact O-N 3.42Å; N242-E244 VanDerWaalsContact O-N 3.14Å
245L90.7Very high93.4Very high56 Ų5662.3 Ų62.329%0.29333%0.334SS..PPolyproline II helixtrans-93.6143.3177.4-64.8170.8000109.7L243 C254 L257 Y258L243-L245 HydrophobicContact CD2-CD2 4.27Å; L243-L245 HydrophobicContact CG-CD2 4.33Å; L243-L245 PolarHBondContact O-N 3.45Å; L245-C254 HydrophobicContact CD1-CB 4.24Å; L245-C254 HydrophobicContact CD2-CB 4.31Å; L245-L257 HydrophobicContact CD2-CB 4.26Å; L245-L257 HydrophobicContact CD2-CD1 3.79Å; L245-Y258 HydrophobicContact CD1-CE2 4.22Å; L245-Y258 HydrophobicContact CD2-CE2 4.34Å
246P92Very high93.4Very high74 Ų7468 Ų6848%0.48136%0.357SS..PPolyproline II helixtrans-55.4143.8169.4-21.331.1000111D248 C249 L257P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 PolarHBondContact O-N 2.97Å; P246-C249 HydrophobicContact CB-CB 4.02Å; P246-C249 HydrophobicContact CG-CB 4.25Å; P246-C249 WeakPolarHBondContact O-CB 3.49Å; P246-C249 PolarHBondContact O-N 3.05Å; P246-L257 HydrophobicContact CG-CD1 4.26Å
247V89.8Confident93.4Very high132 Ų13270.3 Ų70.380%0.837%0.365SS*.THydrogen-bonded Turntrans-57.8-39.6-176.7177.60000112.1C249V247-C249 VanDerWaalsContact C-N 3.34Å
248D91.9Very high93.5Very high149 Ų14964.5 Ų64.580%0.79734%0.339SS*.THydrogen-bonded Turntrans-9719.1-178.5-58-46.3000112.9P246 T250P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 PolarHBondContact O-N 2.97Å; D248-T250 PolarHBondContact O-N 3.03Å
249C90.4Very high93.6Very high5 Ų564.5 Ų64.53%0.03434%0.34CS..  trans-66.4122.7-178-160.10000110.6P246 V247 E253 C254P246-C249 HydrophobicContact CB-CB 4.02Å; P246-C249 HydrophobicContact CG-CB 4.25Å; P246-C249 WeakPolarHBondContact O-CB 3.49Å; P246-C249 PolarHBondContact O-N 3.05Å; V247-C249 VanDerWaalsContact C-N 3.34Å; C249-E253 WeakPolarHBondContact SG-CB 3.49Å; C249-C254 PolarHBondContact SG-N 2.88Å; C249-C254 PolarHBondContact SG-SG 3.46Å
250T93.6Very high93.6Very high66 Ų6665.6 Ų65.641%0.40535%0.349SS..  trans-67.6158.9172.762.50000110.6D248 Q252 E253 C254D248-T250 PolarHBondContact O-N 3.03Å; T250-Q252 VanDerWaalsContact C-N 3.28Å; T250-Q252 PolarHBondContact O-N 3.24Å; T250-E253 WeakPolarHBondContact CB-OE2 3.46Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.45Å; T250-E253 PolarHBondContact N-OE2 3Å; T250-E253 PolarHBondContact O-N 3.2Å; T250-E253 WeakPolarHBondContact OG1-CB 3.3Å; T250-E253 WeakPolarHBondContact OG1-CG 3.4Å; T250-E253 PolarHBondContact OG1-N 3.26Å; T250-E253 PolarHBondContact OG1-OE2 3.4Å; T250-C254 PolarHBondContact O-N 3.24Å; T250-C254 PolarHBondContact O-SG 2.87Å
251F90Very high93.7Very high48 Ų4869.7 Ų69.721%0.21137%0.367CS..Hα-helixtrans-48.9-49.3174.6-179.6-102.4000112.3F200 Y204 E253 C254 L255 H348F200-F251 HydrophobicContact CD1-CZ 4.24Å; Y204-F251 HydrophobicContact CE1-CE2 4.05Å; Y204-F251 HydrophobicContact CE1-CZ 4.45Å; Y204-F251 AromaticContact CZ-CE2 3.91Å; Y204-F251 WeakPolarHBondContact OH-CD2 3.32Å; Y204-F251 WeakPolarHBondContact OH-CE2 3.48Å; F251-E253 VanDerWaalsContact C-N 3.33Å; F251-E253 PolarHBondContact O-N 2.98Å; F251-C254 WeakPolarHBondContact O-CB 3.47Å; F251-C254 PolarHBondContact O-N 3.31Å; F251-L255 HydrophobicContact CD1-CD1 4.04Å; F251-L255 HydrophobicContact CD1-CG 4.42Å; F251-L255 HydrophobicContact CE1-CD1 3.59Å; F251-L255 HydrophobicContact CE1-CG 4.18Å; F251-L255 HydrophobicContact CZ-CD1 4.15Å; F251-L255 HydrophobicContact CZ-CD2 4.36Å; F251-L255 HydrophobicContact CZ-CG 4.44Å; F251-L255 WeakPolarHBondContact O-CG 3.44Å; F251-L255 PolarHBondContact O-N 3.43Å; F251-H348 WeakPolarHBondContact CB-O 3.38Å; F251-H348 WeakPolarHBondContact CD2-O 3.43Å
252Q91.9Very high93.8Very high84 Ų8468.5 Ų68.539%0.39336%0.358SS..Hα-helixtrans-65-34.5180-74.383.2-0.800112.9T250 K256T250-Q252 VanDerWaalsContact C-N 3.28Å; T250-Q252 PolarHBondContact O-N 3.24Å; Q252-K256 WeakPolarHBondContact O-CG 3.25Å; Q252-K256 PolarHBondContact O-N 3.11Å; Q252-K256 VanDerWaalsContact O-N 3.14Å
253E94.7Very high94Very high92 Ų9264.9 Ų64.943%0.4334%0.339SS..Hα-helixtrans-69.9-41175.6-71.9164.9149.400111.4C249 T250 F251 L255 K256 L257C249-E253 WeakPolarHBondContact SG-CB 3.49Å; T250-E253 WeakPolarHBondContact CB-OE2 3.46Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.45Å; T250-E253 PolarHBondContact N-OE2 3Å; T250-E253 PolarHBondContact O-N 3.2Å; T250-E253 WeakPolarHBondContact OG1-CB 3.3Å; T250-E253 WeakPolarHBondContact OG1-CG 3.4Å; T250-E253 PolarHBondContact OG1-N 3.26Å; T250-E253 PolarHBondContact OG1-OE2 3.4Å; F251-E253 VanDerWaalsContact C-N 3.33Å; F251-E253 PolarHBondContact O-N 2.98Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 3.08Å; E253-K256 PolarHBondContact O-N 3.23Å; E253-K256 VanDerWaalsContact O-N 3.14Å; E253-L257 WeakPolarHBondContact O-CG 3.46Å; E253-L257 PolarHBondContact O-N 3.08Å
254C94.4Very high94.2Very high1 Ų168 Ų681%0.00735%0.353CS..Hα-helixtrans-55.8-47.3173.2-64.90000110.8L245 C249 T250 F251 K256 L257 Y258L245-C254 HydrophobicContact CD1-CB 4.24Å; L245-C254 HydrophobicContact CD2-CB 4.31Å; C249-C254 PolarHBondContact SG-N 2.88Å; C249-C254 PolarHBondContact SG-SG 3.46Å; T250-C254 PolarHBondContact O-N 3.24Å; T250-C254 PolarHBondContact O-SG 2.87Å; F251-C254 WeakPolarHBondContact O-CB 3.47Å; F251-C254 PolarHBondContact O-N 3.31Å; C254-K256 VanDerWaalsContact C-N 3.34Å; C254-K256 PolarHBondContact O-N 3.38Å; C254-L257 PolarHBondContact O-N 2.9Å; C254-Y258 WeakPolarHBondContact O-CD2 3.19Å; C254-Y258 PolarHBondContact O-N 3.11Å
255L95.4Very high94.4Very high2 Ų259.6 Ų59.61%0.0131%0.314CS..Hα-helixtrans-57-46.7176.7-66.6-176.1000112.2F200 Y204 L212 E214 F251 E253 Y258 A259F200-L255 HydrophobicContact CB-CD1 3.8Å; F200-L255 HydrophobicContact CB-CD2 4.29Å; F200-L255 HydrophobicContact CD1-CD1 4.43Å; F200-L255 HydrophobicContact CD1-CD2 3.48Å; F200-L255 VanDerWaalsContact CD1-CD2 3.48Å; F200-L255 HydrophobicContact CE1-CD2 4.02Å; F200-L255 HydrophobicContact CG-CD1 4.38Å; F200-L255 HydrophobicContact CG-CD2 3.97Å; Y204-L255 HydrophobicContact CD1-CD2 3.55Å; Y204-L255 HydrophobicContact CE1-CD2 3.3Å; Y204-L255 HydrophobicContact CE1-CG 4.48Å; L212-L255 HydrophobicContact CD2-CD2 3.7Å; L212-L255 WeakPolarHBondContact O-CB 3.42Å; E214-L255 HydrophobicContact CG-CD1 4.19Å; F251-L255 HydrophobicContact CD1-CD1 4.04Å; F251-L255 HydrophobicContact CD1-CG 4.42Å; F251-L255 HydrophobicContact CE1-CD1 3.59Å; F251-L255 HydrophobicContact CE1-CG 4.18Å; F251-L255 HydrophobicContact CZ-CD1 4.15Å; F251-L255 HydrophobicContact CZ-CD2 4.36Å; F251-L255 HydrophobicContact CZ-CG 4.44Å; F251-L255 WeakPolarHBondContact O-CG 3.44Å; F251-L255 PolarHBondContact O-N 3.43Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 3.08Å; L255-Y258 PolarHBondContact O-N 3.14Å; L255-A259 VanDerWaalsContact O-CB 3.31Å; L255-A259 WeakPolarHBondContact O-CB 3.44Å; L255-A259 PolarHBondContact O-N 3.26Å
256K96Very high94.7Very high133 Ų13357.9 Ų57.958%0.57831%0.305SS*.Hα-helixtrans-64.8-38.3179.5-72.7173.7-175.9175.20112.2Q252 E253 C254 A259 S260Q252-K256 WeakPolarHBondContact O-CG 3.25Å; Q252-K256 PolarHBondContact O-N 3.11Å; Q252-K256 VanDerWaalsContact O-N 3.14Å; E253-K256 PolarHBondContact O-N 3.23Å; E253-K256 VanDerWaalsContact O-N 3.14Å; C254-K256 VanDerWaalsContact C-N 3.34Å; C254-K256 PolarHBondContact O-N 3.38Å; K256-A259 PolarHBondContact O-N 3.09Å; K256-S260 WeakPolarHBondContact O-CB 3.24Å; K256-S260 PolarHBondContact O-N 3.36Å
257L96.6Very high94.9Very high65 Ų6561.5 Ų61.534%0.3431%0.313SS..Hα-helixtrans-64.6-48176.5-72.8171.8000111.4L243 L245 P246 E253 C254 A259 S260 K261L243-L257 HydrophobicContact CD2-CB 4.23Å; L245-L257 HydrophobicContact CD2-CB 4.26Å; L245-L257 HydrophobicContact CD2-CD1 3.79Å; P246-L257 HydrophobicContact CG-CD1 4.26Å; E253-L257 WeakPolarHBondContact O-CG 3.46Å; E253-L257 PolarHBondContact O-N 3.08Å; C254-L257 PolarHBondContact O-N 2.9Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.95Å; L257-S260 PolarHBondContact O-N 3.16Å; L257-K261 WeakPolarHBondContact O-CG 3.42Å; L257-K261 PolarHBondContact O-N 3.03Å
258Y97.3Very high95.1Very high11 Ų1157.8 Ų57.84%0.04329%0.292CS..Hα-helixtrans-61.1-41.5173.5-86.2-77.5000111.9Y204 W240 L243 L245 C254 L255 S260 K261 K262Y204-Y258 HydrophobicContact CD2-CD2 4.32Å; Y204-Y258 AromaticContact CD2-CE2 3.96Å; Y204-Y258 HydrophobicContact CD2-CE2 3.96Å; Y204-Y258 HydrophobicContact CG-CD2 4.27Å; Y204-Y258 HydrophobicContact CG-CE2 4.29Å; W240-Y258 HydrophobicContact CB-CD1 4.23Å; W240-Y258 HydrophobicContact CB-CE1 4.39Å; W240-Y258 AromaticContact CD1-CD1 3.94Å; W240-Y258 HydrophobicContact CG-CD1 4.31Å; W240-Y258 WeakPolarHBondContact O-CE1 3.43Å; L243-Y258 HydrophobicContact CB-CE1 4.18Å; L243-Y258 HydrophobicContact CD2-CD1 3.88Å; L243-Y258 HydrophobicContact CD2-CD2 4.06Å; L243-Y258 HydrophobicContact CD2-CE1 4.03Å; L243-Y258 HydrophobicContact CD2-CE2 4.2Å; L243-Y258 HydrophobicContact CD2-CG 3.9Å; L245-Y258 HydrophobicContact CD1-CE2 4.22Å; L245-Y258 HydrophobicContact CD2-CE2 4.34Å; C254-Y258 WeakPolarHBondContact O-CD2 3.19Å; C254-Y258 PolarHBondContact O-N 3.11Å; L255-Y258 PolarHBondContact O-N 3.14Å; Y258-S260 PolarHBondContact O-N 3.31Å; Y258-K261 PolarHBondContact O-N 3.36Å; Y258-K262 WeakPolarHBondContact O-CB 3.38Å; Y258-K262 WeakPolarHBondContact O-CG 3.16Å; Y258-K262 PolarHBondContact O-N 2.81Å
259A97.5Very high95.1Very high3 Ų355.4 Ų55.43%0.02528%0.275CS..Hα-helixtrans-60.5-46.5178.100000111.5V209 L212 L213 L255 K256 L257 K262 D263V209-A259 HydrophobicContact CG1-CB 4.31Å; L212-A259 HydrophobicContact CB-CB 3.84Å; L212-A259 HydrophobicContact CD1-CB 4.27Å; L213-A259 HydrophobicContact CD2-CB 3.8Å; L213-A259 HydrophobicContact CG-CB 3.96Å; L255-A259 VanDerWaalsContact O-CB 3.31Å; L255-A259 WeakPolarHBondContact O-CB 3.44Å; L255-A259 PolarHBondContact O-N 3.26Å; K256-A259 PolarHBondContact O-N 3.09Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.95Å; A259-K262 PolarHBondContact O-N 3.32Å; A259-D263 WeakPolarHBondContact O-CB 3.35Å; A259-D263 PolarHBondContact O-N 2.69Å
260S97.4Very high95.2Very high75 Ų7560.8 Ų60.852%0.52431%0.307SS..Hα-helixtrans-61.5-49.1178.1-1760000111.7K256 L257 Y258 K262 D263 E264K256-S260 WeakPolarHBondContact O-CB 3.24Å; K256-S260 PolarHBondContact O-N 3.36Å; L257-S260 PolarHBondContact O-N 3.16Å; Y258-S260 PolarHBondContact O-N 3.31Å; S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact O-N 2.89Å; S260-D263 PolarHBondContact O-N 3.18Å; S260-E264 PolarHBondContact O-N 3.09Å
261K96.7Very high95.2Very high88 Ų8862.5 Ų62.538%0.38331%0.311SS..Hα-helixtrans-64.7-35179.5-73.9-73.8165.4-158.40113.1W240 L243 L257 Y258 E264 A265W240-K261 HydrophobicContact CB-CB 4.21Å; L243-K261 HydrophobicContact CD1-CD 4.42Å; L243-K261 HydrophobicContact CD1-CG 3.88Å; L243-K261 HydrophobicContact CD2-CG 4.22Å; L257-K261 WeakPolarHBondContact O-CG 3.42Å; L257-K261 PolarHBondContact O-N 3.03Å; Y258-K261 PolarHBondContact O-N 3.36Å; K261-E264 IonicContact NZ-OE2 2.8Å; K261-E264 PolarHBondContact NZ-OE2 3.46Å; K261-A265 WeakPolarHBondContact O-CB 3.48Å; K261-A265 PolarHBondContact O-N 3.01Å
262K97.1Very high95.5Very high0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-65.5-45.2172.4-76.9177.9-176.6-157.20112.2Y204 L205 A207 V209 L212 F228 W240 Y258 A259 S260 E264 A265 I266Y204-K262 WeakPolarHBondContact O-CE 2.96Å; Y204-K262 PolarHBondContact O-NZ 3.33Å; L205-K262 PolarHBondContact O-NZ 3.39Å; A207-K262 PolarHBondContact O-NZ 3.37Å; V209-K262 HydrophobicContact CG2-CB 3.66Å; L212-K262 HydrophobicContact CD1-CD 3.65Å; F228-K262 HydrophobicContact CE2-CD 4.44Å; W240-K262 HydrophobicContact CD2-CD 4.38Å; W240-K262 HydrophobicContact CD2-CG 3.49Å; W240-K262 VanDerWaalsContact CD2-CG 3.49Å; W240-K262 HydrophobicContact CE3-CB 4.28Å; W240-K262 HydrophobicContact CE3-CG 3.57Å; W240-K262 HydrophobicContact CG-CG 4.12Å; W240-K262 HydrophobicContact CH2-CB 4.49Å; W240-K262 HydrophobicContact CH2-CG 3.82Å; W240-K262 HydrophobicContact CZ2-CD 4.14Å; W240-K262 HydrophobicContact CZ2-CG 3.75Å; W240-K262 HydrophobicContact CZ3-CB 4.22Å; W240-K262 HydrophobicContact CZ3-CG 3.74Å; Y258-K262 WeakPolarHBondContact O-CB 3.38Å; Y258-K262 WeakPolarHBondContact O-CG 3.16Å; Y258-K262 PolarHBondContact O-N 2.81Å; A259-K262 PolarHBondContact O-N 3.32Å; S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact O-N 2.89Å; K262-E264 VanDerWaalsContact C-N 3.35Å; K262-A265 PolarHBondContact O-N 2.92Å; K262-I266 WeakPolarHBondContact O-CB 3.22Å; K262-I266 WeakPolarHBondContact O-CD1 3.35Å; K262-I266 WeakPolarHBondContact O-CG1 3.33Å; K262-I266 PolarHBondContact O-N 2.63Å
263D96.8Very high95.8Very high62 Ų6256.8 Ų56.833%0.33229%0.285SS..Hα-helixtrans-62.3-42.5178.3-172.966.5000111.8V209 A259 S260 I266 K267V209-D263 HydrophobicContact CG2-CB 4.49Å; A259-D263 WeakPolarHBondContact O-CB 3.35Å; A259-D263 PolarHBondContact O-N 2.69Å; S260-D263 PolarHBondContact O-N 3.18Å; D263-I266 PolarHBondContact O-N 2.99Å; D263-K267 WeakPolarHBondContact O-CG 3.46Å; D263-K267 PolarHBondContact O-N 3.36Å; D263-K267 VanDerWaalsContact O-N 3.07Å; D263-K267 WeakPolarHBondContact OD2-CE 3.14Å; D263-K267 IonicContact OD2-NZ 2.74Å; D263-K267 PolarHBondContact OD2-NZ 2.85Å
264E96.5Very high95.8Very high103 Ų10358.1 Ų58.148%0.48129%0.292SS..Hα-helixtrans-57.2-51.1173.2-175.3179.8-173.600111.7S260 K261 K262 I266 K267 C268S260-E264 PolarHBondContact O-N 3.09Å; K261-E264 IonicContact NZ-OE2 2.8Å; K261-E264 PolarHBondContact NZ-OE2 3.46Å; K262-E264 VanDerWaalsContact C-N 3.35Å; E264-I266 PolarHBondContact O-N 3.18Å; E264-K267 WeakPolarHBondContact O-CB 3.49Å; E264-K267 PolarHBondContact O-N 3.43Å; E264-C268 WeakPolarHBondContact O-CB 3.38Å; E264-C268 PolarHBondContact O-N 3.38Å
265A96.1Very high95.9Very high3 Ų362.9 Ų62.93%0.02531%0.31CS..Hα-helixtrans-66.6-34.7179.500000113.4P239 W240 K261 K262 K267 C268 L272P239-A265 HydrophobicContact CB-CB 3.98Å; P239-A265 HydrophobicContact CG-CB 3.95Å; W240-A265 HydrophobicContact CE3-CB 3.98Å; W240-A265 HydrophobicContact CZ3-CB 3.62Å; K261-A265 WeakPolarHBondContact O-CB 3.48Å; K261-A265 PolarHBondContact O-N 3.01Å; K262-A265 PolarHBondContact O-N 2.92Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 2.95Å; A265-C268 CarbonylContact O-C 3.32Å; A265-C268 PolarHBondContact O-N 2.69Å; A265-C268 VanDerWaalsContact O-O 3.11Å; A265-L272 WeakPolarHBondContact O-CB 3.41Å
266I96.7Very high96Very high20 Ų2063.6 Ų63.610%0.10332%0.315CS..Hα-helixtrans-63.3-38.9173.8-73163.4000110.7V209 W224 F228 K262 D263 E264 L272 L284V209-I266 HydrophobicContact CG2-CD1 4.05Å; W224-I266 HydrophobicContact CH2-CD1 4.02Å; W224-I266 HydrophobicContact CH2-CG1 4.32Å; W224-I266 HydrophobicContact CH2-CG2 4.26Å; W224-I266 HydrophobicContact CZ3-CD1 3.95Å; W224-I266 HydrophobicContact CZ3-CG1 4.14Å; F228-I266 HydrophobicContact CE1-CG1 4.5Å; F228-I266 HydrophobicContact CZ-CD1 4.14Å; K262-I266 WeakPolarHBondContact O-CB 3.22Å; K262-I266 WeakPolarHBondContact O-CD1 3.35Å; K262-I266 WeakPolarHBondContact O-CG1 3.33Å; K262-I266 PolarHBondContact O-N 2.63Å; D263-I266 PolarHBondContact O-N 2.99Å; E264-I266 PolarHBondContact O-N 3.18Å; I266-L272 HydrophobicContact CG1-CD2 4.33Å; I266-L284 HydrophobicContact CG2-CD1 4.25Å
267K95.4Very high96Very high149 Ų14958.5 Ų58.565%0.64830%0.295SS*.Hα-helixtrans-69.3-41.8174.3-70165.8176.7168.70110.9D263 E264 A265 K269D263-K267 WeakPolarHBondContact O-CG 3.46Å; D263-K267 PolarHBondContact O-N 3.36Å; D263-K267 VanDerWaalsContact O-N 3.07Å; D263-K267 WeakPolarHBondContact OD2-CE 3.14Å; D263-K267 IonicContact OD2-NZ 2.74Å; D263-K267 PolarHBondContact OD2-NZ 2.85Å; E264-K267 WeakPolarHBondContact O-CB 3.49Å; E264-K267 PolarHBondContact O-N 3.43Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 2.95Å; K267-K269 VanDerWaalsContact C-N 3.3Å; K267-K269 PolarHBondContact O-N 2.89Å
268C94.2Very high95.9Very high54 Ų5460.8 Ų60.837%0.36531%0.308SS..  trans-82.665.8174.7-165.90000112.5E264 A265 T270 E271 L272E264-C268 WeakPolarHBondContact O-CB 3.38Å; E264-C268 PolarHBondContact O-N 3.38Å; A265-C268 CarbonylContact O-C 3.32Å; A265-C268 PolarHBondContact O-N 2.69Å; A265-C268 VanDerWaalsContact O-O 3.11Å; C268-T270 PolarHBondContact O-N 3.08Å; C268-E271 HydrophobicContact CB-CB 4.47Å; C268-E271 PolarHBondContact O-N 2.74Å; C268-L272 PolarHBondContact O-N 3.46Å
269K92.7Very high95.9Very high99 Ų9960.8 Ų60.843%0.4331%0.309SS..Hα-helixtrans-53.1-31.8-175.2-55.3-178.2-176.3168.70114K267 L273 L284K267-K269 VanDerWaalsContact C-N 3.3Å; K267-K269 PolarHBondContact O-N 2.89Å; K269-L273 VanDerWaalsContact O-CB 3.29Å; K269-L273 WeakPolarHBondContact O-CB 3.1Å; K269-L273 WeakPolarHBondContact O-CG 3.48Å; K269-L273 PolarHBondContact O-N 2.88Å; K269-L284 HydrophobicContact CB-CD2 4.23Å; K269-L284 HydrophobicContact CD-CD2 4.15Å; K269-L284 HydrophobicContact CG-CD2 3.74Å
270T93Very high95.9Very high118 Ų11860.7 Ų60.772%0.72431%0.308SS*.Hα-helixtrans-65.2-41.7-178.4-51.30000111.7C268 Q274C268-T270 PolarHBondContact O-N 3.08Å; T270-Q274 WeakPolarHBondContact O-CA 3.48Å; T270-Q274 WeakPolarHBondContact O-CB 3.47Å; T270-Q274 PolarHBondContact O-N 3.5Å
271E92.9Very high95.9Very high102 Ų10261.9 Ų61.948%0.47730%0.304SS..Hα-helixtrans-70.9-49.4177.4-176.7-176.5178.500110.5P239 C268 L273 Q274P239-E271 HydrophobicContact CG-CG 4.41Å; C268-E271 HydrophobicContact CB-CB 4.47Å; C268-E271 PolarHBondContact O-N 2.74Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 2.98Å; E271-Q274 PolarHBondContact O-N 3.35Å
272L97.1Very high95.9Very high1 Ų164.2 Ų64.21%0.00531%0.311CS..Hα-helixtrans-62-37-177.7-177.561.7000112.6F227 V231 P239 W240 A265 I266 C268 L284F227-L272 HydrophobicContact CE1-CD2 4.19Å; V231-L272 HydrophobicContact CG1-CD1 4.02Å; V231-L272 VanDerWaalsContact CG1-O 3.24Å; V231-L272 WeakPolarHBondContact CG1-O 3.44Å; P239-L272 HydrophobicContact CG-CD1 4.03Å; W240-L272 HydrophobicContact CH2-CD1 4.03Å; W240-L272 HydrophobicContact CZ3-CD1 4.09Å; A265-L272 WeakPolarHBondContact O-CB 3.41Å; I266-L272 HydrophobicContact CG1-CD2 4.33Å; C268-L272 PolarHBondContact O-N 3.46Å; L272-L284 HydrophobicContact CD2-CD1 4.45Å; L272-L284 HydrophobicContact CD2-CD2 4.32Å
273L97.4Very high96Very high11 Ų1164.2 Ų64.26%0.05831%0.311CS..THydrogen-bonded Turntrans-111.516-173.4-50.5-177.3000113.8F227 V231 K269 E271 Y275 C276 F280 K281 L284F227-L273 HydrophobicContact CE1-CD2 4.3Å; F227-L273 HydrophobicContact CE2-CD2 4.4Å; F227-L273 HydrophobicContact CZ-CD2 3.57Å; V231-L273 HydrophobicContact CG2-CD2 3.93Å; K269-L273 VanDerWaalsContact O-CB 3.29Å; K269-L273 WeakPolarHBondContact O-CB 3.1Å; K269-L273 WeakPolarHBondContact O-CG 3.48Å; K269-L273 PolarHBondContact O-N 2.88Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 2.98Å; L273-Y275 PolarHBondContact O-N 2.9Å; L273-C276 HydrophobicContact CB-CB 4.29Å; L273-C276 HydrophobicContact CD2-CB 4.44Å; L273-C276 PolarHBondContact O-N 3.45Å; L273-C276 VanDerWaalsContact O-N 3.09Å; L273-F280 HydrophobicContact CD1-CB 4.38Å; L273-F280 HydrophobicContact CD2-CB 4.38Å; L273-K281 HydrophobicContact CD1-CB 4.43Å; L273-K281 HydrophobicContact CD1-CG 3.86Å; L273-L284 HydrophobicContact CD1-CB 4.27Å; L273-L284 HydrophobicContact CD1-CD2 3.82Å; L273-L284 HydrophobicContact CG-CD2 4.36Å
274Q95Very high96Very high121 Ų12161.2 Ų61.257%0.56530%0.295SS*.THydrogen-bonded Turntrans-46.5-35.3-174.6-176.3178.86.800113T270 E271T270-Q274 WeakPolarHBondContact O-CA 3.48Å; T270-Q274 WeakPolarHBondContact O-CB 3.47Å; T270-Q274 PolarHBondContact O-N 3.5Å; E271-Q274 PolarHBondContact O-N 3.35Å
275Y96.3Very high96.1Very high101 Ų10161.4 Ų61.440%0.39629%0.294SS..THydrogen-bonded Turntrans-121.15-172.5-56.3-70.3000115.1L273L273-Y275 PolarHBondContact O-N 2.9Å
276C97.4Very high96.1Very high16 Ų1665 Ų6511%0.10831%0.307CS..SBendtrans-84.2156.7176.9-65.70000110.1L273 F280L273-C276 HydrophobicContact CB-CB 4.29Å; L273-C276 HydrophobicContact CD2-CB 4.44Å; L273-C276 PolarHBondContact O-N 3.45Å; L273-C276 VanDerWaalsContact O-N 3.09Å; C276-F280 HydrophobicContact CB-CB 3.86Å; C276-F280 HydrophobicContact CB-CD1 3.86Å; C276-F280 HydrophobicContact CB-CG 3.83Å
277P96.3Very high96.2Very high26 Ų2664.1 Ų64.117%0.16930%0.302CS..  trans-53.7146.6168.2-23.533000111.6Y234 S279 F280 E308Y234-P277 HydrophobicContact CE1-CG 4.14Å; Y234-P277 HydrophobicContact CE2-CG 4.11Å; Y234-P277 WeakPolarHBondContact OH-CG 3.5Å; P277-S279 PolarHBondContact O-N 3.37Å; P277-F280 HydrophobicContact CB-CD2 4.17Å; P277-F280 HydrophobicContact CG-CD2 4.15Å; P277-F280 HydrophobicContact CG-CE2 4.11Å; P277-F280 WeakPolarHBondContact O-CB 2.89Å; P277-F280 PolarHBondContact O-N 3.02Å; P277-E308 HydrophobicContact CB-CG 4.19Å
278N94.9Very high96.2Very high113 Ų11360 Ų6060%0.60429%0.292SS*.THydrogen-bonded Turntrans-57-28.8-177.6-90.7-40.8000113F280 K281N278-F280 PolarHBondContact O-N 3.07Å; N278-K281 WeakPolarHBondContact O-CB 3.01Å; N278-K281 PolarHBondContact O-N 3.26Å; N278-K281 PolarHBondContact OD1-NZ 3.41Å
279S95.8Very high96.3Very high11 Ų1163.6 Ų63.68%0.07730%0.304CS..THydrogen-bonded Turntrans-62-22.2175.758.60000114.5P277 K281 W282 I283 E308P277-S279 PolarHBondContact O-N 3.37Å; S279-K281 PolarHBondContact O-N 3.41Å; S279-K281 VanDerWaalsContact O-N 3.17Å; S279-W282 WeakPolarHBondContact O-CA 3.13Å; S279-W282 VanDerWaalsContact O-CB 3.3Å; S279-W282 WeakPolarHBondContact O-CB 3.43Å; S279-W282 PolarHBondContact O-N 2.88Å; S279-I283 PolarHBondContact O-N 2.97Å; S279-E308 WeakPolarHBondContact CB-OE1 3.24Å; S279-E308 PolarHBondContact N-OE1 2.98Å; S279-E308 WeakPolarHBondContact OG-CG 3.43Å; S279-E308 PolarHBondContact OG-OE1 2.73Å
280F97.8Very high96.5Very high1 Ų159.5 Ų59.50%0.00429%0.285CS..Hα-helixtrans-63.5-23.1177.7-85.2-128.2000112.1L133 F227 L230 V231 Y234 L273 C276 P277 N278 W282 I283 L284 L305L133-F280 HydrophobicContact CD2-CE2 4.31Å; F227-F280 HydrophobicContact CD2-CD1 4.39Å; F227-F280 HydrophobicContact CE2-CB 4.41Å; F227-F280 AromaticContact CE2-CD1 3.76Å; F227-F280 HydrophobicContact CE2-CD1 3.76Å; F227-F280 HydrophobicContact CE2-CE1 4.47Å; F227-F280 HydrophobicContact CE2-CG 4.44Å; L230-F280 HydrophobicContact CB-CE1 3.83Å; L230-F280 HydrophobicContact CB-CZ 4.16Å; L230-F280 HydrophobicContact CD1-CE1 4.45Å; L230-F280 HydrophobicContact CD1-CZ 4.23Å; V231-F280 HydrophobicContact CG2-CD1 4.27Å; Y234-F280 HydrophobicContact CD2-CE1 4.17Å; Y234-F280 HydrophobicContact CD2-CZ 4.07Å; Y234-F280 HydrophobicContact CE2-CE1 4.21Å; Y234-F280 HydrophobicContact CE2-CE2 4.07Å; Y234-F280 AromaticContact CE2-CZ 3.63Å; Y234-F280 HydrophobicContact CE2-CZ 3.63Å; L273-F280 HydrophobicContact CD1-CB 4.38Å; L273-F280 HydrophobicContact CD2-CB 4.38Å; C276-F280 HydrophobicContact CB-CB 3.86Å; C276-F280 HydrophobicContact CB-CD1 3.86Å; C276-F280 HydrophobicContact CB-CG 3.83Å; P277-F280 HydrophobicContact CB-CD2 4.17Å; P277-F280 HydrophobicContact CG-CD2 4.15Å; P277-F280 HydrophobicContact CG-CE2 4.11Å; P277-F280 WeakPolarHBondContact O-CB 2.89Å; P277-F280 PolarHBondContact O-N 3.02Å; N278-F280 PolarHBondContact O-N 3.07Å; F280-W282 PolarHBondContact O-N 3.31Å; F280-I283 HydrophobicContact CD2-CD1 4.03Å; F280-I283 HydrophobicContact CE2-CD1 4.17Å; F280-I283 HydrophobicContact CG-CD1 4.26Å; F280-I283 PolarHBondContact O-N 2.9Å; F280-L284 WeakPolarHBondContact O-CB 3.3Å; F280-L284 PolarHBondContact O-N 3.13Å; F280-L305 HydrophobicContact CE2-CD2 4.05Å; F280-L305 HydrophobicContact CZ-CD2 4.36Å
281K97.5Very high96.6Very high101 Ų10158.9 Ų58.944%0.43928%0.277SS..Hα-helixtrans-60.3-34.3170.5-66.1169.4178.3163.90111.7L273 N278 S279 K285L273-K281 HydrophobicContact CD1-CB 4.43Å; L273-K281 HydrophobicContact CD1-CG 3.86Å; N278-K281 WeakPolarHBondContact O-CB 3.01Å; N278-K281 PolarHBondContact O-N 3.26Å; N278-K281 PolarHBondContact OD1-NZ 3.41Å; S279-K281 PolarHBondContact O-N 3.41Å; S279-K281 VanDerWaalsContact O-N 3.17Å; K281-K285 WeakPolarHBondContact O-CB 3.47Å; K281-K285 PolarHBondContact O-N 3.23Å
282W97.8Very high96.8Very high136 Ų13654.9 Ų54.952%0.51526%0.258SS..Hα-helixtrans-78-33.7177.6-56.1123.3000112.6S279 F280 K285 R286 L304S279-W282 WeakPolarHBondContact O-CA 3.13Å; S279-W282 VanDerWaalsContact O-CB 3.3Å; S279-W282 WeakPolarHBondContact O-CB 3.43Å; S279-W282 PolarHBondContact O-N 2.88Å; F280-W282 PolarHBondContact O-N 3.31Å; W282-K285 HydrophobicContact CE3-CD 4.23Å; W282-K285 HydrophobicContact CZ3-CD 4.25Å; W282-R286 WeakPolarHBondContact O-CB 3.39Å; W282-R286 PolarHBondContact O-N 2.83Å; W282-R286 VanDerWaalsContact O-N 3.08Å; W282-L304 HydrophobicContact CB-CD1 3.98Å; W282-L304 HydrophobicContact CB-CD2 4.46Å
283I98.2Very high96.8Very high0 Ų060.2 Ų60.20%028%0.279CS..Hα-helixtrans-61.9-53.6170.6-59-179.5000109W226 F227 S279 F280 K285 R286 L287 F301 L304 L305W226-I283 HydrophobicContact CH2-CD1 4.44Å; W226-I283 HydrophobicContact CZ3-CG2 3.91Å; F227-I283 HydrophobicContact CD2-CB 4.31Å; F227-I283 HydrophobicContact CD2-CG2 3.51Å; F227-I283 HydrophobicContact CE2-CB 4.11Å; F227-I283 HydrophobicContact CE2-CG2 3.8Å; F227-I283 HydrophobicContact CG-CG2 4.45Å; S279-I283 PolarHBondContact O-N 2.97Å; F280-I283 HydrophobicContact CD2-CD1 4.03Å; F280-I283 HydrophobicContact CE2-CD1 4.17Å; F280-I283 HydrophobicContact CG-CD1 4.26Å; F280-I283 PolarHBondContact O-N 2.9Å; I283-K285 PolarHBondContact O-N 3.2Å; I283-R286 WeakPolarHBondContact O-CB 3.43Å; I283-R286 PolarHBondContact O-N 2.95Å; I283-R286 VanDerWaalsContact O-N 3.08Å; I283-L287 HydrophobicContact CG2-CD1 3.99Å; I283-L287 HydrophobicContact CG2-CG 4.39Å; I283-L287 WeakPolarHBondContact O-CG 3.26Å; I283-L287 PolarHBondContact O-N 3.44Å; I283-F301 HydrophobicContact CB-CD1 4.33Å; I283-F301 HydrophobicContact CB-CE1 4.48Å; I283-F301 HydrophobicContact CG1-CD1 4.2Å; I283-F301 HydrophobicContact CG2-CD1 3.82Å; I283-F301 HydrophobicContact CG2-CE1 3.88Å; I283-L304 HydrophobicContact CG1-CD1 3.74Å; I283-L305 HydrophobicContact CD1-CD2 4.08Å
284L98Very high96.6Very high0 Ų065.9 Ų65.90%030%0.3CS..Hα-helixtrans-55.7-50.6178.9-179.158.5000111.7W224 F227 I266 K269 L272 L273 F280 R286 L287 S288W224-L284 HydrophobicContact CH2-CD1 3.7Å; W224-L284 HydrophobicContact CZ3-CD1 3.65Å; F227-L284 HydrophobicContact CE1-CB 4.42Å; F227-L284 HydrophobicContact CE1-CD1 3.83Å; F227-L284 HydrophobicContact CZ-CB 3.87Å; F227-L284 HydrophobicContact CZ-CD1 4.14Å; F227-L284 HydrophobicContact CZ-CG 4.47Å; I266-L284 HydrophobicContact CG2-CD1 4.25Å; K269-L284 HydrophobicContact CB-CD2 4.23Å; K269-L284 HydrophobicContact CD-CD2 4.15Å; K269-L284 HydrophobicContact CG-CD2 3.74Å; L272-L284 HydrophobicContact CD2-CD1 4.45Å; L272-L284 HydrophobicContact CD2-CD2 4.32Å; L273-L284 HydrophobicContact CD1-CB 4.27Å; L273-L284 HydrophobicContact CD1-CD2 3.82Å; L273-L284 HydrophobicContact CG-CD2 4.36Å; F280-L284 WeakPolarHBondContact O-CB 3.3Å; F280-L284 PolarHBondContact O-N 3.13Å; L284-R286 PolarHBondContact O-N 3.02Å; L284-L287 PolarHBondContact O-N 2.91Å; L284-S288 PolarHBondContact O-N 2.55Å; L284-S288 PolarHBondContact O-OG 3.49Å; L284-S288 VanDerWaalsContact O-OG 3.09Å
285K97.1Very high96.7Very high106 Ų10665.9 Ų65.946%0.46130%0.299SS..Hα-helixtrans-55.8-40.6177.5-177.6178.6-179.6179.20111.9K281 W282 I283K281-K285 WeakPolarHBondContact O-CB 3.47Å; K281-K285 PolarHBondContact O-N 3.23Å; W282-K285 HydrophobicContact CE3-CD 4.23Å; W282-K285 HydrophobicContact CZ3-CD 4.25Å; I283-K285 PolarHBondContact O-N 3.2Å
286R97.3Very high96.7Very high79 Ų7961.2 Ų61.230%0.29828%0.282SS..Hα-helixtrans-68.8-44.9179.9-176.759.463147.70.7111.6W282 I283 L284 S288 H289 Y290 E297 Y300 F301W282-R286 WeakPolarHBondContact O-CB 3.39Å; W282-R286 PolarHBondContact O-N 2.83Å; W282-R286 VanDerWaalsContact O-N 3.08Å; I283-R286 WeakPolarHBondContact O-CB 3.43Å; I283-R286 PolarHBondContact O-N 2.95Å; I283-R286 VanDerWaalsContact O-N 3.08Å; L284-R286 PolarHBondContact O-N 3.02Å; R286-S288 VanDerWaalsContact C-N 3.3Å; R286-S288 PolarHBondContact O-N 3.28Å; R286-H289 PolarHBondContact O-N 3.43Å; R286-Y290 HydrophobicContact CG-CE1 4.23Å; R286-E297 WeakPolarHBondContact CD-OE2 3.29Å; R286-E297 IonicContact NH1-OE1 2.76Å; R286-E297 IonicContact NH1-OE2 2.81Å; R286-Y300 HydrophobicContact CB-CD1 4.36Å; R286-Y300 HydrophobicContact CB-CE1 3.83Å; R286-Y300 HydrophobicContact CG-CD1 4.04Å; R286-Y300 HydrophobicContact CG-CE1 3.98Å; R286-F301 HydrophobicContact CB-CE1 3.94Å; R286-F301 HydrophobicContact CB-CZ 4.11Å; R286-F301 HydrophobicContact CG-CE1 3.89Å; R286-F301 HydrophobicContact CG-CE2 4.48Å; R286-F301 HydrophobicContact CG-CZ 3.58Å
287L97.6Very high96.7Very high1 Ų162.8 Ų62.81%0.00529%0.288CS..Hα-helixtrans-61.4-37.8178.9-67.7175000112.4M223 W224 F227 I283 L284 H289 Y290 F301M223-L287 HydrophobicContact CB-CD2 3.7Å; M223-L287 HydrophobicContact CE-CD2 4.34Å; W224-L287 HydrophobicContact CD2-CB 4.27Å; W224-L287 HydrophobicContact CD2-CD1 4.47Å; W224-L287 HydrophobicContact CE3-CB 4.4Å; W224-L287 HydrophobicContact CE3-CD1 4.15Å; W224-L287 HydrophobicContact CH2-CB 3.86Å; W224-L287 HydrophobicContact CZ2-CB 3.69Å; W224-L287 HydrophobicContact CZ3-CB 4.21Å; W224-L287 HydrophobicContact CZ3-CD1 4.32Å; F227-L287 HydrophobicContact CB-CD1 3.5Å; F227-L287 VanDerWaalsContact CB-CD1 3.5Å; F227-L287 HydrophobicContact CD1-CD1 4.18Å; F227-L287 HydrophobicContact CD2-CD1 4.12Å; F227-L287 HydrophobicContact CG-CD1 3.68Å; I283-L287 HydrophobicContact CG2-CD1 3.99Å; I283-L287 HydrophobicContact CG2-CG 4.39Å; I283-L287 WeakPolarHBondContact O-CG 3.26Å; I283-L287 PolarHBondContact O-N 3.44Å; L284-L287 PolarHBondContact O-N 2.91Å; L287-H289 PolarHBondContact O-N 3.05Å; L287-H289 VanDerWaalsContact O-N 3.11Å; L287-Y290 HydrophobicContact CD2-CD2 3.94Å; L287-Y290 HydrophobicContact CD2-CE2 3.86Å; L287-Y290 PolarHBondContact O-N 3.44Å; L287-F301 HydrophobicContact CD2-CE1 4.22Å; L287-F301 HydrophobicContact CD2-CZ 3.9Å; L287-F301 HydrophobicContact CG-CE1 4.28Å; L287-F301 HydrophobicContact CG-CZ 4.39Å
288S96Very high96.8Very high63 Ų6362.3 Ų62.344%0.44128%0.282SS..THydrogen-bonded Turntrans-60.8-18.5177.1-59.10000114.3L284 R286L284-S288 PolarHBondContact O-N 2.55Å; L284-S288 PolarHBondContact O-OG 3.49Å; L284-S288 VanDerWaalsContact O-OG 3.09Å; R286-S288 VanDerWaalsContact C-N 3.3Å; R286-S288 PolarHBondContact O-N 3.28Å
289H96Very high97Very high130 Ų13061.9 Ų61.960%0.60228%0.28SS*.THydrogen-bonded Turntrans-92.5-3.4176.7-64.5164000113.7R286 L287 I291R286-H289 PolarHBondContact O-N 3.43Å; L287-H289 PolarHBondContact O-N 3.05Å; L287-H289 VanDerWaalsContact O-N 3.11Å; H289-I291 PolarHBondContact O-N 3.12Å
290Y96.8Very high97.1Very high12 Ų1264.7 Ų64.75%0.04729%0.29CS..  trans-78.6117.9-177.8-70.2-14.5000113R220 R286 L287 R294 P296 E297 F301R220-Y290 HydrophobicContact CB-CD2 4.36Å; R220-Y290 HydrophobicContact CB-CG 4.49Å; R220-Y290 VanDerWaalsContact CD-O 3.3Å; R220-Y290 WeakPolarHBondContact CD-O 3.36Å; R220-Y290 PolarHBondContact NH1-O 3.23Å; R286-Y290 HydrophobicContact CG-CE1 4.23Å; L287-Y290 HydrophobicContact CD2-CD2 3.94Å; L287-Y290 HydrophobicContact CD2-CE2 3.86Å; L287-Y290 PolarHBondContact O-N 3.44Å; Y290-R294 HydrophobicContact CD1-CG 3.93Å; Y290-R294 HydrophobicContact CE1-CG 4.27Å; Y290-P296 HydrophobicContact CD2-CG 4.47Å; Y290-P296 HydrophobicContact CE2-CB 3.69Å; Y290-P296 HydrophobicContact CE2-CG 4.12Å; Y290-P296 WeakPolarHBondContact OH-CA 3.43Å; Y290-E297 WeakPolarHBondContact CE1-OE2 3.48Å; Y290-E297 VanDerWaalsContact CZ-OE2 3.27Å; Y290-E297 PolarHBondContact OH-N 3.17Å; Y290-E297 PolarHBondContact OH-OE2 3.24Å; Y290-F301 HydrophobicContact CE2-CE2 4.01Å; Y290-F301 AromaticContact CE2-CZ 3.78Å; Y290-F301 HydrophobicContact CE2-CZ 3.78Å; Y290-F301 AromaticContact CZ-CE2 4Å; Y290-F301 AromaticContact CZ-CZ 3.84Å; Y290-F301 WeakPolarHBondContact OH-CE2 3.45Å; Y290-F301 VanDerWaalsContact OH-CZ 3.26Å; Y290-F301 WeakPolarHBondContact OH-CZ 3.29Å
291I95.8Very high97.1Very high105 Ų10564.7 Ų64.754%0.53829%0.289SS..  trans-91.9164.9168.563.5168.6000110.8H289 Y293 R294H289-I291 PolarHBondContact O-N 3.12Å; I291-Y293 PolarHBondContact O-N 3.32Å; I291-Y293 VanDerWaalsContact O-N 3.12Å; I291-R294 HydrophobicContact CG1-CB 3.86Å; I291-R294 PolarHBondContact O-N 3.34Å
292H96.1Very high97.2Very high18 Ų1860.7 Ų60.78%0.08327%0.273CS..THydrogen-bonded Turntrans-48.7-42.7-176.1-179.280.5000113.6H191 E216 S218H191-H292 AromaticContact CE1-CD2 3.62Å; H191-H292 AromaticContact CE1-CE1 3.74Å; H191-H292 AromaticContact CE1-NE2 3.13Å; H191-H292 PolarHBondContact CE1-NE2 3.37Å; H191-H292 AromaticContact ND1-CD2 3.95Å; H191-H292 AromaticContact ND1-NE2 3.56Å; H191-H292 PolarHBondContact NE2-O 3.21Å; E216-H292 PolarHBondContact O-CE1 3.05Å; E216-H292 PolarHBondContact O-ND1 3.04Å; S218-H292 VanDerWaalsContact CB-O 3.23Å; S218-H292 WeakPolarHBondContact CB-O 3.49Å; S218-H292 PolarHBondContact OG-O 3.41Å
293Y96.8Very high97.2Very high114 Ų11457.5 Ų57.545%0.44727%0.268SS..THydrogen-bonded Turntrans-83.2-17.8-176.5-60.9-67.1000114.6H191 P194 R219 I291 Q295H191-Y293 HydrophobicContact CB-CD1 3.75Å; H191-Y293 HydrophobicContact CB-CE1 4.23Å; H191-Y293 AromaticContact CG-CD1 3.66Å; H191-Y293 AromaticContact ND1-CD1 3.82Å; H191-Y293 AromaticContact ND1-CE1 3.97Å; P194-Y293 WeakPolarHBondContact CD-OH 3.45Å; R219-Y293 PolarHBondContact NH2-O 3.4Å; I291-Y293 PolarHBondContact O-N 3.32Å; I291-Y293 VanDerWaalsContact O-N 3.12Å; Y293-Q295 PolarHBondContact O-N 2.89Å
294R94.7Very high97.2Very high130 Ų13058.7 Ų58.749%0.49128%0.275SS..PPolyproline II helixtrans-69135-169.6-174.663.9179.6-171.60.1110.4Y290 I291 E297Y290-R294 HydrophobicContact CD1-CG 3.93Å; Y290-R294 HydrophobicContact CE1-CG 4.27Å; I291-R294 HydrophobicContact CG1-CB 3.86Å; I291-R294 PolarHBondContact O-N 3.34Å; R294-E297 IonicContact CZ-OE1 2.73Å; R294-E297 IonicContact NE-OE1 3.39Å; R294-E297 PolarHBondContact NE-OE1 3.22Å; R294-E297 IonicContact NH2-OE1 3.55Å; R294-E297 PolarHBondContact NH2-OE1 2.93Å
295Q95.8Very high97.2Very high120 Ų12058.7 Ų58.756%0.56128%0.275SS*.PPolyproline II helixtrans-78.4127.2167.4-177.6170.1-5.600109.2Y293 Y298Y293-Q295 PolarHBondContact O-N 2.89Å; Q295-Y298 HydrophobicContact CG-CE2 4.27Å
296P97.3Very high97.3Very high4 Ų458.3 Ų58.33%0.02628%0.275CS..PPolyproline II helixtrans-59.7139.6172.9-24.534.2000112.2R219 M223 Y290 Y298R219-P296 HydrophobicContact CB-CG 3.87Å; M223-P296 HydrophobicContact CG-CB 4.04Å; M223-P296 HydrophobicContact CG-CG 3.76Å; M223-P296 HydrophobicContact SD-CB 4.33Å; Y290-P296 HydrophobicContact CD2-CG 4.47Å; Y290-P296 HydrophobicContact CE2-CB 3.69Å; Y290-P296 HydrophobicContact CE2-CG 4.12Å; Y290-P296 WeakPolarHBondContact OH-CA 3.43Å; P296-Y298 VanDerWaalsContact C-N 3.26Å; P296-Y298 HydrophobicContact CB-CD1 4.26Å; P296-Y298 HydrophobicContact CB-CE1 3.85Å; P296-Y298 HydrophobicContact CB-CE2 4.12Å; P296-Y298 WeakPolarHBondContact CD-OH 3.34Å; P296-Y298 HydrophobicContact CG-CE1 4.16Å; P296-Y298 WeakPolarHBondContact O-CD2 3.36Å; P296-Y298 VanDerWaalsContact O-CE2 3.24Å; P296-Y298 WeakPolarHBondContact O-CE2 3.32Å; P296-Y298 PolarHBondContact O-N 3.25Å
297E97.4Very high97.3Very high49 Ų4958.7 Ų58.723%0.22928%0.282CS..  trans-81.470172.3-5994.5175.900110.1R286 Y290 R294 N299 Y300 F301R286-E297 WeakPolarHBondContact CD-OE2 3.29Å; R286-E297 IonicContact NH1-OE1 2.76Å; R286-E297 IonicContact NH1-OE2 2.81Å; Y290-E297 WeakPolarHBondContact CE1-OE2 3.48Å; Y290-E297 VanDerWaalsContact CZ-OE2 3.27Å; Y290-E297 PolarHBondContact OH-N 3.17Å; Y290-E297 PolarHBondContact OH-OE2 3.24Å; R294-E297 IonicContact CZ-OE1 2.73Å; R294-E297 IonicContact NE-OE1 3.39Å; R294-E297 PolarHBondContact NE-OE1 3.22Å; R294-E297 IonicContact NH2-OE1 3.55Å; R294-E297 PolarHBondContact NH2-OE1 2.93Å; E297-N299 PolarHBondContact O-N 3.04Å; E297-N299 VanDerWaalsContact O-N 3.07Å; E297-Y300 VanDerWaalsContact O-CB 3.27Å; E297-Y300 WeakPolarHBondContact O-CB 3.46Å; E297-Y300 PolarHBondContact O-N 3.4Å; E297-F301 WeakPolarHBondContact O-CD2 3.23Å
298Y98.4Very high97.3Very high15 Ų1560.4 Ų60.46%0.05929%0.29CS..Hα-helixtrans-48.1-42-173.9-55.1-83.2000113.9L140 R144 H147 M223 Q295 P296 Y300 F301 I302L140-Y298 HydrophobicContact CD1-CD1 3.91Å; R144-Y298 HydrophobicContact CB-CD1 3.72Å; R144-Y298 HydrophobicContact CB-CD2 4.42Å; R144-Y298 HydrophobicContact CB-CE1 3.99Å; R144-Y298 HydrophobicContact CB-CG 3.96Å; R144-Y298 HydrophobicContact CG-CD1 3.99Å; R144-Y298 HydrophobicContact CG-CD2 3.77Å; R144-Y298 HydrophobicContact CG-CE1 4.34Å; R144-Y298 HydrophobicContact CG-CE2 4.13Å; R144-Y298 HydrophobicContact CG-CG 3.7Å; H147-Y298 VanDerWaalsContact CB-OH 3.26Å; H147-Y298 WeakPolarHBondContact CB-OH 3.45Å; H147-Y298 VanDerWaalsContact CG-OH 3.26Å; H147-Y298 AromaticContact ND1-CE1 3.62Å; H147-Y298 AromaticContact ND1-CZ 3.57Å; H147-Y298 PolarHBondContact ND1-OH 3.48Å; M223-Y298 HydrophobicContact SD-CD1 4.15Å; M223-Y298 HydrophobicContact SD-CE1 3.89Å; Q295-Y298 HydrophobicContact CG-CE2 4.27Å; P296-Y298 VanDerWaalsContact C-N 3.26Å; P296-Y298 HydrophobicContact CB-CD1 4.26Å; P296-Y298 HydrophobicContact CB-CE1 3.85Å; P296-Y298 HydrophobicContact CB-CE2 4.12Å; P296-Y298 WeakPolarHBondContact CD-OH 3.34Å; P296-Y298 HydrophobicContact CG-CE1 4.16Å; P296-Y298 WeakPolarHBondContact O-CD2 3.36Å; P296-Y298 VanDerWaalsContact O-CE2 3.24Å; P296-Y298 WeakPolarHBondContact O-CE2 3.32Å; P296-Y298 PolarHBondContact O-N 3.25Å; Y298-Y300 VanDerWaalsContact C-N 3.28Å; Y298-Y300 PolarHBondContact O-N 2.94Å; Y298-F301 PolarHBondContact O-N 2.64Å; Y298-I302 WeakPolarHBondContact O-CG1 3.35Å; Y298-I302 PolarHBondContact O-N 3.43Å
299N98.3Very high97.4Very high104 Ų10457.8 Ų57.856%0.55627%0.271SS*.Hα-helixtrans-63.8-31.2-179.3-68-10000113R144 E297 F301 I302 T303R144-N299 PolarHBondContact NH1-OD1 2.7Å; E297-N299 PolarHBondContact O-N 3.04Å; E297-N299 VanDerWaalsContact O-N 3.07Å; N299-F301 VanDerWaalsContact C-N 3.33Å; N299-F301 PolarHBondContact O-N 3.21Å; N299-I302 PolarHBondContact O-N 3.33Å; N299-T303 WeakPolarHBondContact O-CB 3.38Å; N299-T303 PolarHBondContact O-N 3.48Å; N299-T303 PolarHBondContact O-OG1 2.79Å; N299-T303 VanDerWaalsContact O-OG1 3.05Å
300Y98.3Very high97.5Very high71 Ų7157.4 Ų57.428%0.27827%0.268SS..Hα-helixtrans-61.6-44.4175.4172.3-96.3000111R286 E297 Y298 L304R286-Y300 HydrophobicContact CB-CD1 4.36Å; R286-Y300 HydrophobicContact CB-CE1 3.83Å; R286-Y300 HydrophobicContact CG-CD1 4.04Å; R286-Y300 HydrophobicContact CG-CE1 3.98Å; E297-Y300 VanDerWaalsContact O-CB 3.27Å; E297-Y300 WeakPolarHBondContact O-CB 3.46Å; E297-Y300 PolarHBondContact O-N 3.4Å; Y298-Y300 VanDerWaalsContact C-N 3.28Å; Y298-Y300 PolarHBondContact O-N 2.94Å; Y300-L304 HydrophobicContact CD1-CD1 4Å; Y300-L304 HydrophobicContact CE1-CD1 3.45Å; Y300-L304 VanDerWaalsContact CE1-CD1 3.45Å; Y300-L304 HydrophobicContact CE1-CG 4.41Å; Y300-L304 WeakPolarHBondContact O-CG 3.35Å; Y300-L304 PolarHBondContact O-N 3.26Å; Y300-L304 VanDerWaalsContact O-N 3.13Å
301F98.4Very high97.5Very high0 Ų059 Ų590%028%0.279CS..Hα-helixtrans-68.7-41.1177.3-55.1-73.5000111.8L140 M223 W226 I283 R286 L287 Y290 E297 Y298 N299 T303 L304 L305L140-F301 HydrophobicContact CD2-CB 3.68Å; M223-F301 HydrophobicContact CE-CD2 3.75Å; M223-F301 HydrophobicContact CE-CE2 3.67Å; M223-F301 HydrophobicContact CE-CG 4.3Å; M223-F301 HydrophobicContact CE-CZ 4.16Å; W226-F301 HydrophobicContact CH2-CB 4.08Å; W226-F301 HydrophobicContact CH2-CG 4.5Å; W226-F301 HydrophobicContact CZ3-CD1 4.34Å; W226-F301 HydrophobicContact CZ3-CG 4.49Å; I283-F301 HydrophobicContact CB-CD1 4.33Å; I283-F301 HydrophobicContact CB-CE1 4.48Å; I283-F301 HydrophobicContact CG1-CD1 4.2Å; I283-F301 HydrophobicContact CG2-CD1 3.82Å; I283-F301 HydrophobicContact CG2-CE1 3.88Å; R286-F301 HydrophobicContact CB-CE1 3.94Å; R286-F301 HydrophobicContact CB-CZ 4.11Å; R286-F301 HydrophobicContact CG-CE1 3.89Å; R286-F301 HydrophobicContact CG-CE2 4.48Å; R286-F301 HydrophobicContact CG-CZ 3.58Å; L287-F301 HydrophobicContact CD2-CE1 4.22Å; L287-F301 HydrophobicContact CD2-CZ 3.9Å; L287-F301 HydrophobicContact CG-CE1 4.28Å; L287-F301 HydrophobicContact CG-CZ 4.39Å; Y290-F301 HydrophobicContact CE2-CE2 4.01Å; Y290-F301 AromaticContact CE2-CZ 3.78Å; Y290-F301 HydrophobicContact CE2-CZ 3.78Å; Y290-F301 AromaticContact CZ-CE2 4Å; Y290-F301 AromaticContact CZ-CZ 3.84Å; Y290-F301 WeakPolarHBondContact OH-CE2 3.45Å; Y290-F301 VanDerWaalsContact OH-CZ 3.26Å; Y290-F301 WeakPolarHBondContact OH-CZ 3.29Å; E297-F301 WeakPolarHBondContact O-CD2 3.23Å; Y298-F301 PolarHBondContact O-N 2.64Å; N299-F301 VanDerWaalsContact C-N 3.33Å; N299-F301 PolarHBondContact O-N 3.21Å; F301-T303 PolarHBondContact O-N 2.74Å; F301-L304 PolarHBondContact O-N 3.25Å; F301-L305 WeakPolarHBondContact O-CG 3.19Å; F301-L305 PolarHBondContact O-N 3.42Å
302I98.5Very high97.6Very high18 Ų1855 Ų559%0.09226%0.259CS..Hα-helixtrans-55.7-52174.9-70.1169.8000110.3L137 L140 Y298 N299 L304 L305 E306L137-I302 HydrophobicContact CD2-CB 4.19Å; L137-I302 HydrophobicContact CD2-CG1 4.2Å; L137-I302 HydrophobicContact CD2-CG2 3.91Å; L140-I302 HydrophobicContact CD2-CG1 3.77Å; Y298-I302 WeakPolarHBondContact O-CG1 3.35Å; Y298-I302 PolarHBondContact O-N 3.43Å; N299-I302 PolarHBondContact O-N 3.33Å; I302-L304 VanDerWaalsContact C-N 3.29Å; I302-L304 PolarHBondContact O-N 3.44Å; I302-L305 PolarHBondContact O-N 3.18Å; I302-L305 VanDerWaalsContact O-N 3.11Å; I302-E306 HydrophobicContact CG2-CG 4.16Å; I302-E306 WeakPolarHBondContact O-CB 3.47Å; I302-E306 WeakPolarHBondContact O-CG 3.2Å; I302-E306 PolarHBondContact O-N 3Å
303T98.4Very high97.6Very high69 Ų6960.8 Ų60.842%0.42328%0.28SS..Hα-helixtrans-60.5-37.8179.7-60.80000112.5N299 F301 N307N299-T303 WeakPolarHBondContact O-CB 3.38Å; N299-T303 PolarHBondContact O-N 3.48Å; N299-T303 PolarHBondContact O-OG1 2.79Å; N299-T303 VanDerWaalsContact O-OG1 3.05Å; F301-T303 PolarHBondContact O-N 2.74Å; T303-N307 WeakPolarHBondContact O-CB 3.21Å; T303-N307 PolarHBondContact O-N 3.05Å; T303-N307 PolarHBondContact O-ND2 2.98Å; T303-N307 VanDerWaalsContact O-ND2 3.15Å
304L98.3Very high97.6Very high25 Ų2562 Ų6213%0.13129%0.29CS..Hα-helixtrans-62-46.8174.6-73.4175.3000111.7W282 I283 Y300 F301 I302 N307 E308W282-L304 HydrophobicContact CB-CD1 3.98Å; W282-L304 HydrophobicContact CB-CD2 4.46Å; I283-L304 HydrophobicContact CG1-CD1 3.74Å; Y300-L304 HydrophobicContact CD1-CD1 4Å; Y300-L304 HydrophobicContact CE1-CD1 3.45Å; Y300-L304 VanDerWaalsContact CE1-CD1 3.45Å; Y300-L304 HydrophobicContact CE1-CG 4.41Å; Y300-L304 WeakPolarHBondContact O-CG 3.35Å; Y300-L304 PolarHBondContact O-N 3.26Å; Y300-L304 VanDerWaalsContact O-N 3.13Å; F301-L304 PolarHBondContact O-N 3.25Å; I302-L304 VanDerWaalsContact C-N 3.29Å; I302-L304 PolarHBondContact O-N 3.44Å; L304-N307 PolarHBondContact O-N 3.48Å; L304-E308 PolarHBondContact O-N 3.49Å
305L98.5Very high97.7Very high0 Ų064.5 Ų64.50%030%0.299CS..Hα-helixtrans-67.1-40.5179.1-62.5-176.2000112.3L133 L137 W226 F280 I283 F301 I302 N307 E308 I309L133-L305 HydrophobicContact CD2-CB 4.46Å; L133-L305 HydrophobicContact CD2-CD2 3.63Å; L137-L305 HydrophobicContact CD2-CB 3.84Å; L137-L305 HydrophobicContact CD2-CD1 4.07Å; L137-L305 HydrophobicContact CG-CB 4.05Å; L137-L305 HydrophobicContact CG-CD1 4.13Å; W226-L305 HydrophobicContact CH2-CD1 4.22Å; W226-L305 HydrophobicContact CZ2-CD1 3.79Å; F280-L305 HydrophobicContact CE2-CD2 4.05Å; F280-L305 HydrophobicContact CZ-CD2 4.36Å; I283-L305 HydrophobicContact CD1-CD2 4.08Å; F301-L305 WeakPolarHBondContact O-CG 3.19Å; F301-L305 PolarHBondContact O-N 3.42Å; I302-L305 PolarHBondContact O-N 3.18Å; I302-L305 VanDerWaalsContact O-N 3.11Å; L305-N307 VanDerWaalsContact C-N 3.32Å; L305-N307 PolarHBondContact O-N 3.07Å; L305-E308 PolarHBondContact O-N 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.18Å; L305-I309 PolarHBondContact O-N 3.19Å
306E98.2Very high97.7Very high98 Ų9862 Ų6246%0.45831%0.306SS..Hα-helixtrans-62.9-38.1176.5-73.3175157.400112.2L137 I302 I309 K310L137-E306 HydrophobicContact CD1-CG 4.24Å; L137-E306 HydrophobicContact CD2-CG 4.24Å; I302-E306 HydrophobicContact CG2-CG 4.16Å; I302-E306 WeakPolarHBondContact O-CB 3.47Å; I302-E306 WeakPolarHBondContact O-CG 3.2Å; I302-E306 PolarHBondContact O-N 3Å; E306-I309 PolarHBondContact O-N 3.07Å; E306-K310 WeakPolarHBondContact O-CB 3.37Å; E306-K310 PolarHBondContact O-N 3.37Å
307N98.3Very high97.5Very high86 Ų8667.9 Ų67.946%0.4633%0.328SS..Hα-helixtrans-65.7-37.9175.1-75.2-26.7000112.3T303 L304 L305 K310 T311T303-N307 WeakPolarHBondContact O-CB 3.21Å; T303-N307 PolarHBondContact O-N 3.05Å; T303-N307 PolarHBondContact O-ND2 2.98Å; T303-N307 VanDerWaalsContact O-ND2 3.15Å; L304-N307 PolarHBondContact O-N 3.48Å; L305-N307 VanDerWaalsContact C-N 3.32Å; L305-N307 PolarHBondContact O-N 3.07Å; N307-K310 PolarHBondContact O-N 3.3Å; N307-T311 PolarHBondContact O-N 3.26Å; N307-T311 PolarHBondContact O-OG1 3.38Å
308E98Very high97.2Very high38 Ų3868.4 Ų68.418%0.17834%0.337CS..Hα-helixtrans-65.3-42.9172.9-69.6-65.3171.200111.2L133 P277 S279 L304 L305 K310 T311 L312L133-E308 HydrophobicContact CD1-CB 3.64Å; L133-E308 HydrophobicContact CD2-CB 3.93Å; L133-E308 HydrophobicContact CD2-CG 4.49Å; L133-E308 HydrophobicContact CG-CB 4.46Å; P277-E308 HydrophobicContact CB-CG 4.19Å; S279-E308 WeakPolarHBondContact CB-OE1 3.24Å; S279-E308 PolarHBondContact N-OE1 2.98Å; S279-E308 WeakPolarHBondContact OG-CG 3.43Å; S279-E308 PolarHBondContact OG-OE1 2.73Å; L304-E308 PolarHBondContact O-N 3.49Å; L305-E308 PolarHBondContact O-N 3.3Å; E308-K310 VanDerWaalsContact C-N 3.33Å; E308-K310 PolarHBondContact O-N 2.77Å; E308-T311 WeakPolarHBondContact O-CB 3.45Å; E308-T311 PolarHBondContact O-N 2.94Å; E308-T311 VanDerWaalsContact O-N 3.13Å; E308-L312 WeakPolarHBondContact O-CG 3.46Å; E308-L312 PolarHBondContact O-N 3.42Å
309I98Very high97Very high8 Ų870.1 Ų70.14%0.04135%0.349CS..Hα-helixtrans-59.6-44.3174.7-69.8172.1000111Y130 L133 L137 L305 E306 T311 L312 R313Y130-I309 HydrophobicContact CD2-CG2 4.22Å; Y130-I309 HydrophobicContact CE2-CG2 3.84Å; L133-I309 HydrophobicContact CB-CD1 3.95Å; L133-I309 HydrophobicContact CB-CG1 3.67Å; L133-I309 HydrophobicContact CD1-CG1 3.75Å; L133-I309 HydrophobicContact CG-CG1 4.33Å; L137-I309 HydrophobicContact CD1-CD1 3.53Å; L305-I309 WeakPolarHBondContact O-CG1 3.18Å; L305-I309 PolarHBondContact O-N 3.19Å; E306-I309 PolarHBondContact O-N 3.07Å; I309-T311 VanDerWaalsContact C-N 3.29Å; I309-T311 PolarHBondContact O-N 3.48Å; I309-L312 PolarHBondContact O-N 2.89Å; I309-R313 WeakPolarHBondContact O-CG 3.17Å; I309-R313 PolarHBondContact O-N 3.46Å
310K97.7Very high96.8Very high121 Ų12169.5 Ų69.553%0.52635%0.346SS..Hα-helixtrans-60.1-41.5175.8-176.9178175.8-179.70111.3E306 N307 E308 R313 Q314E306-K310 WeakPolarHBondContact O-CB 3.37Å; E306-K310 PolarHBondContact O-N 3.37Å; N307-K310 PolarHBondContact O-N 3.3Å; E308-K310 VanDerWaalsContact C-N 3.33Å; E308-K310 PolarHBondContact O-N 2.77Å; K310-R313 PolarHBondContact O-N 3Å; K310-Q314 VanDerWaalsContact O-CG 3.32Å; K310-Q314 WeakPolarHBondContact O-CG 3.4Å; K310-Q314 PolarHBondContact O-N 2.95Å
311T97Very high96.8Very high47 Ų4766.8 Ų66.829%0.28834%0.336SS..Hα-helixtrans-63.9-42.8176.9-57.10000111.7N307 E308 I309 R313 Q314 R315N307-T311 PolarHBondContact O-N 3.26Å; N307-T311 PolarHBondContact O-OG1 3.38Å; E308-T311 WeakPolarHBondContact O-CB 3.45Å; E308-T311 PolarHBondContact O-N 2.94Å; E308-T311 VanDerWaalsContact O-N 3.13Å; I309-T311 VanDerWaalsContact C-N 3.29Å; I309-T311 PolarHBondContact O-N 3.48Å; T311-R313 PolarHBondContact O-N 3.07Å; T311-Q314 PolarHBondContact O-N 3.48Å; T311-R315 WeakPolarHBondContact O-CG 3.3Å; T311-R315 PolarHBondContact O-N 3.4Å; T311-R315 VanDerWaalsContact O-N 3.12Å
312L96.8Very high96.7Very high20 Ų2066.8 Ų66.811%0.10534%0.336CS..Hα-helixtrans-60.9-44.4175.5-70.9179.3000111.8P129 L133 E308 I309 Q314 R315 G316 Y317P129-L312 HydrophobicContact CB-CD1 3.95Å; P129-L312 HydrophobicContact CB-CD2 4.4Å; L133-L312 HydrophobicContact CD1-CD1 3.63Å; E308-L312 WeakPolarHBondContact O-CG 3.46Å; E308-L312 PolarHBondContact O-N 3.42Å; I309-L312 PolarHBondContact O-N 2.89Å; L312-Q314 PolarHBondContact O-N 2.8Å; L312-R315 PolarHBondContact O-N 3.37Å; L312-G316 PolarHBondContact O-N 3.07Å; L312-Y317 HydrophobicContact CD2-CD2 3.81Å; L312-Y317 HydrophobicContact CD2-CE2 4.21Å; L312-Y317 HydrophobicContact CD2-CG 3.97Å; L312-Y317 PolarHBondContact O-N 3.29Å; L312-Y317 VanDerWaalsContact O-N 3.08Å
313R96.6Very high96.5Very high140 Ų14066 Ų6653%0.52833%0.332SS..Hα-helixtrans-59.4-47.2176.4-75.6173.7178.9159.53.2112.2I309 K310 T311 R315 G316 T319I309-R313 WeakPolarHBondContact O-CG 3.17Å; I309-R313 PolarHBondContact O-N 3.46Å; K310-R313 PolarHBondContact O-N 3Å; T311-R313 PolarHBondContact O-N 3.07Å; R313-R315 PolarHBondContact O-N 2.91Å; R313-G316 PolarHBondContact O-N 2.93Å; R313-T319 HydrophobicContact CG-CG2 3.42Å; R313-T319 VanDerWaalsContact CG-CG2 3.42Å
314Q96.8Very high96.4Very high139 Ų13966.7 Ų66.765%0.6533%0.333SS*.Hα-helixtrans-62.9-29.2179.4-73.5172.7-16.600112.9K310 T311 L312 G316K310-Q314 VanDerWaalsContact O-CG 3.32Å; K310-Q314 WeakPolarHBondContact O-CG 3.4Å; K310-Q314 PolarHBondContact O-N 2.95Å; T311-Q314 PolarHBondContact O-N 3.48Å; L312-Q314 PolarHBondContact O-N 2.8Å; Q314-G316 VanDerWaalsContact C-N 3.31Å
315R96.2Very high96.1Very high182 Ų18270.1 Ų70.169%0.68735%0.346SS*.THydrogen-bonded Turntrans-86.62.4176.3-68.4178-178.2-171.10.5113.7T311 L312 R313 Y317T311-R315 WeakPolarHBondContact O-CG 3.3Å; T311-R315 PolarHBondContact O-N 3.4Å; T311-R315 VanDerWaalsContact O-N 3.12Å; L312-R315 PolarHBondContact O-N 3.37Å; R313-R315 PolarHBondContact O-N 2.91Å; R315-Y317 HydrophobicContact CB-CD2 3.64Å; R315-Y317 HydrophobicContact CB-CE2 3.65Å
316G95.7Very high95.7Very high68 Ų6871.6 Ų71.670%0.70135%0.354SS*.THydrogen-bonded Turntrans75.819177.300000115.1L312 R313 Q314L312-G316 PolarHBondContact O-N 3.07Å; R313-G316 PolarHBondContact O-N 2.93Å; Q314-G316 VanDerWaalsContact C-N 3.31Å
317Y93.4Very high94.8Very high128 Ų12871.6 Ų71.650%0.50236%0.357SS..  trans-69.9146172.4-72.8-93.5000110.9L312 R315 T319L312-Y317 HydrophobicContact CD2-CD2 3.81Å; L312-Y317 HydrophobicContact CD2-CE2 4.21Å; L312-Y317 HydrophobicContact CD2-CG 3.97Å; L312-Y317 PolarHBondContact O-N 3.29Å; L312-Y317 VanDerWaalsContact O-N 3.08Å; R315-Y317 HydrophobicContact CB-CD2 3.64Å; R315-Y317 HydrophobicContact CB-CE2 3.65Å; Y317-T319 PolarHBondContact O-N 3.14Å
318S91.8Very high93.4Very high59 Ų5968.7 Ų68.741%0.41334%0.342SS..  trans-54.8136.1171.7166.70000110.4D320 K325S318-D320 PolarHBondContact OG-N 3.38Å; S318-D320 PolarHBondContact OG-OD2 3.36Å; S318-K325 PolarHBondContact OG-NZ 3.02Å
319T94.4Very high91.5Very high52 Ų5274 Ų7432%0.31937%0.371SS..  trans-112.930.917858.90000112.5Y130 R313 Y317Y130-T319 VanDerWaalsContact CD1-C 3.49Å; Y130-T319 HydrophobicContact CD2-CG2 3.96Å; Y130-T319 WeakPolarHBondContact CE1-O 3.3Å; Y130-T319 HydrophobicContact CE2-CG2 3.87Å; Y130-T319 PolarHBondContact OH-O 3.46Å; Y130-T319 VanDerWaalsContact OH-O 3.05Å; R313-T319 HydrophobicContact CG-CG2 3.42Å; R313-T319 VanDerWaalsContact CG-CG2 3.42Å; Y317-T319 PolarHBondContact O-N 3.14Å
320D94.6Very high88.9Confident91 Ų9181.2 Ų81.249%0.48741%0.405SS..SBendtrans-97.3139.5175.7-55.3-51.3000108.9S318S318-D320 PolarHBondContact OG-N 3.38Å; S318-D320 PolarHBondContact OG-OD2 3.36Å
321I96.7Very high86.4Confident13 Ų1378.1 Ų78.17%0.06740%0.398CS..  trans-73129.3173.7-64.9176.4000108.4Y130 T131 A171 W323 L324Y130-I321 HydrophobicContact CE1-CG1 4.14Å; T131-I321 HydrophobicContact CG2-CG2 4.41Å; A171-I321 HydrophobicContact CB-CD1 4.12Å; I321-W323 HydrophobicContact CG2-CD2 3.4Å; I321-W323 VanDerWaalsContact CG2-CD2 3.4Å; I321-W323 HydrophobicContact CG2-CE3 3.7Å; I321-W323 HydrophobicContact CG2-CG 4.07Å; I321-W323 HydrophobicContact CG2-CH2 3.62Å; I321-W323 HydrophobicContact CG2-CZ2 3.32Å; I321-W323 HydrophobicContact CG2-CZ3 3.81Å; I321-W323 PolarHBondContact O-N 3.02Å; I321-L324 HydrophobicContact CB-CD1 3.85Å; I321-L324 HydrophobicContact CB-CG 3.93Å; I321-L324 HydrophobicContact CD1-CD1 4.29Å; I321-L324 HydrophobicContact CG1-CD1 4.45Å; I321-L324 HydrophobicContact CG2-CD1 4.46Å; I321-L324 HydrophobicContact CG2-CG 4.1Å; I321-L324 WeakPolarHBondContact O-CB 3.49Å; I321-L324 PolarHBondContact O-N 3.5Å
322D96.6Very high83.8Confident0 Ų077.9 Ų77.90%041%0.405CS..G310 helixtrans-59-45.9-166.6-58.8-19.3000112.8C116 F120 Y122 F127 S128 T131 L324 K325C116-D322 HydrophobicContact CB-CB 4.43Å; F120-D322 HydrophobicContact CD2-CB 4.23Å; F120-D322 HydrophobicContact CE2-CB 3.8Å; F120-D322 WeakPolarHBondContact CE2-O 3.5Å; F120-D322 WeakPolarHBondContact CZ-O 3.32Å; Y122-D322 PolarHBondContact OH-OD1 3.29Å; Y122-D322 PolarHBondContact OH-OD2 3.26Å; F127-D322 VanDerWaalsContact CA-OD2 3.23Å; F127-D322 WeakPolarHBondContact CA-OD2 3.32Å; F127-D322 WeakPolarHBondContact CB-OD2 3.02Å; F127-D322 HydrophobicContact CD1-CB 4.47Å; S128-D322 VanDerWaalsContact CB-OD1 3.29Å; S128-D322 WeakPolarHBondContact CB-OD1 3.29Å; S128-D322 PolarHBondContact N-OD2 3.08Å; S128-D322 PolarHBondContact OG-OD1 3.03Å; S128-D322 PolarHBondContact OG-OD2 3.39Å; T131-D322 WeakPolarHBondContact CB-OD2 3.36Å; T131-D322 HydrophobicContact CG2-CB 4.39Å; T131-D322 PolarHBondContact OG1-N 3.36Å; T131-D322 PolarHBondContact OG1-OD1 3.49Å; T131-D322 PolarHBondContact OG1-OD2 2.88Å; D322-L324 PolarHBondContact O-N 3.5Å; D322-K325 WeakPolarHBondContact O-CB 3.38Å; D322-K325 PolarHBondContact O-N 3.38Å
323W95.2Very high81.1Confident1 Ų181.1 Ų81.10%0.00443%0.428CS..G310 helixtrans-70.9-15.7-178.462.183000113.8L109 L112 F127 T131 I135 I163 L170 I173 I321 K325 L326L109-W323 HydrophobicContact CD2-CH2 4.48Å; L112-W323 HydrophobicContact CD1-CD2 3.94Å; L112-W323 HydrophobicContact CD1-CE3 4.13Å; L112-W323 HydrophobicContact CD1-CG 4.15Å; L112-W323 HydrophobicContact CD2-CB 3.84Å; L112-W323 HydrophobicContact CD2-CG 4.23Å; F127-W323 HydrophobicContact CD1-CE3 4.35Å; F127-W323 HydrophobicContact CD1-CZ3 4.42Å; F127-W323 AromaticContact CE1-CE3 3.89Å; F127-W323 HydrophobicContact CE1-CE3 3.89Å; F127-W323 HydrophobicContact CE1-CZ3 4.08Å; F127-W323 HydrophobicContact CZ-CZ3 4.43Å; T131-W323 HydrophobicContact CG2-CE3 3.84Å; T131-W323 HydrophobicContact CG2-CH2 4.04Å; T131-W323 HydrophobicContact CG2-CZ3 3.26Å; I135-W323 HydrophobicContact CD1-CH2 4.32Å; I135-W323 HydrophobicContact CD1-CZ3 3.98Å; I135-W323 HydrophobicContact CG1-CH2 3.86Å; I135-W323 HydrophobicContact CG1-CZ3 4.04Å; I163-W323 HydrophobicContact CG2-CZ2 3.99Å; L170-W323 PolarHBondContact O-NE1 2.9Å; I173-W323 HydrophobicContact CD1-CH2 4.27Å; I321-W323 HydrophobicContact CG2-CD2 3.4Å; I321-W323 VanDerWaalsContact CG2-CD2 3.4Å; I321-W323 HydrophobicContact CG2-CE3 3.7Å; I321-W323 HydrophobicContact CG2-CG 4.07Å; I321-W323 HydrophobicContact CG2-CH2 3.62Å; I321-W323 HydrophobicContact CG2-CZ2 3.32Å; I321-W323 HydrophobicContact CG2-CZ3 3.81Å; I321-W323 PolarHBondContact O-N 3.02Å; W323-K325 PolarHBondContact O-N 2.96Å; W323-L326 HydrophobicContact CB-CD1 4.17Å; W323-L326 WeakPolarHBondContact O-CB 3.34Å; W323-L326 PolarHBondContact O-N 3.09Å
324L94.8Very high78.2Confident84 Ų8478 Ų7844%0.4443%0.432SS..G310 helixtrans-73.2-13.5171.9-61.1-176000112.4L170 A171 I321 D322L170-L324 HydrophobicContact CB-CD2 3.66Å; A171-L324 HydrophobicContact CB-CD1 4.15Å; I321-L324 HydrophobicContact CB-CD1 3.85Å; I321-L324 HydrophobicContact CB-CG 3.93Å; I321-L324 HydrophobicContact CD1-CD1 4.29Å; I321-L324 HydrophobicContact CG1-CD1 4.45Å; I321-L324 HydrophobicContact CG2-CD1 4.46Å; I321-L324 HydrophobicContact CG2-CG 4.1Å; I321-L324 WeakPolarHBondContact O-CB 3.49Å; I321-L324 PolarHBondContact O-N 3.5Å; D322-L324 PolarHBondContact O-N 3.5Å
325K93Very high75.7Confident97 Ų9772.6 Ų72.642%0.42241%0.406SS..G310 helixtrans-88.6-10.2173.6-52.9169.1-172.6169.80112.2F120 S318 D322 W323F120-K325 HydrophobicContact CE1-CB 4.37Å; F120-K325 HydrophobicContact CZ-CB 3.97Å; F120-K325 HydrophobicContact CZ-CD 4.43Å; S318-K325 PolarHBondContact OG-NZ 3.02Å; D322-K325 WeakPolarHBondContact O-CB 3.38Å; D322-K325 PolarHBondContact O-N 3.38Å; W323-K325 PolarHBondContact O-N 2.96Å
326L89.9Confident73.1Confident31 Ų3164.8 Ų64.816%0.16238%0.378CS..SBendtrans-86147.3178-60.7176.3000110.2T115 F120 W323 L328T115-L326 HydrophobicContact CG2-CD1 3.77Å; F120-L326 HydrophobicContact CE1-CD2 4.31Å; F120-L326 HydrophobicContact CE2-CD2 3.89Å; F120-L326 HydrophobicContact CE2-CG 4.19Å; F120-L326 HydrophobicContact CZ-CD2 3.54Å; F120-L326 HydrophobicContact CZ-CG 4Å; W323-L326 HydrophobicContact CB-CD1 4.17Å; W323-L326 WeakPolarHBondContact O-CB 3.34Å; W323-L326 PolarHBondContact O-N 3.09Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-L328 HydrophobicContact CB-CD2 3.63Å; L326-L328 HydrophobicContact CB-CG 4.26Å; L326-L328 HydrophobicContact CD1-CD2 4.03Å; L326-L328 HydrophobicContact CG-CD2 4.49Å; L326-L328 PolarHBondContact O-N 3.3Å; L326-L328 VanDerWaalsContact O-N 3.11Å
327N78.9Confident70.4Confident98 Ų9864.1 Ų64.152%0.52436%0.362SS..  trans-85.277.4172.5-158.74.9000110.3N329 E330N327-N329 PolarHBondContact O-N 2.65Å; N327-N329 VanDerWaalsContact O-N 3.16Å; N327-E330 VanDerWaalsContact ND2-CD 3.31Å; N327-E330 PolarHBondContact ND2-OE1 3.24Å; N327-E330 VanDerWaalsContact ND2-OE1 3.11Å
328L70.5Confident67.9Low25 Ų2559.6 Ų59.613%0.13135%0.346CS..G310 helixtrans-67-14.2-172.5-53.3175.5000113.9I163 L170 L326 F335I163-L328 HydrophobicContact CD1-CD1 4.19Å; L170-L328 HydrophobicContact CD2-CD1 4.39Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-L328 HydrophobicContact CB-CD2 3.63Å; L326-L328 HydrophobicContact CB-CG 4.26Å; L326-L328 HydrophobicContact CD1-CD2 4.03Å; L326-L328 HydrophobicContact CG-CD2 4.49Å; L326-L328 PolarHBondContact O-N 3.3Å; L326-L328 VanDerWaalsContact O-N 3.11Å; L328-F335 HydrophobicContact CB-CE1 3.85Å; L328-F335 HydrophobicContact CB-CZ 4.31Å; L328-F335 HydrophobicContact CD2-CE1 3.51Å; L328-F335 HydrophobicContact CD2-CZ 3.39Å; L328-F335 HydrophobicContact CG-CE1 4.12Å; L328-F335 HydrophobicContact CG-CZ 4.39Å
329N56.7Low65.3Low149 Ų14959.1 Ų59.180%0.79734%0.343SS*.G310 helixtrans-80.3-20-174.1-75.5-19.7000114.4N327N327-N329 PolarHBondContact O-N 2.65Å; N327-N329 VanDerWaalsContact O-N 3.16Å
330E44.3Very low62.4Low160 Ų16063.8 Ų63.875%0.74836%0.361SS*.G310 helixtrans-83.9-10-172.9-71.6-177.2176.200113.9N327N327-E330 VanDerWaalsContact ND2-CD 3.31Å; N327-E330 PolarHBondContact ND2-OE1 3.24Å; N327-E330 VanDerWaalsContact ND2-OE1 3.11Å
331S45.1Very low59.5Low56 Ų5662.1 Ų62.139%0.39235%0.354SS..G310 helixtrans-89.2-1.3-170-42.90000115.4
332G42.1Very low56.4Low42 Ų4265.5 Ų65.543%0.43338%0.379SS..G310 helixtrans60.6-169.5179.900000114.4A334 F335G332-A334 PolarHBondContact O-N 3.19Å; G332-F335 WeakPolarHBondContact O-CB 3.18Å; G332-F335 PolarHBondContact O-N 3.22Å
333P39.2Very low53.4Low89 Ų8968.2 Ų68.258%0.57839%0.393SS*.G310 helixtrans-63.5-8.6-179.224.8-33.4000114.4I41 F335 L336I41-P333 HydrophobicContact CD1-CB 4.05Å; P333-F335 PolarHBondContact O-N 2.94Å; P333-L336 HydrophobicContact CB-CD1 4.18Å; P333-L336 WeakPolarHBondContact O-CB 3.05Å; P333-L336 PolarHBondContact O-N 3.06Å
334A36.5Very low50.4Low74 Ų7472.1 Ų72.161%0.61243%0.426SS*.G310 helixtrans-61.8-1816900000112.7G332 L336G332-A334 PolarHBondContact O-N 3.19Å; A334-L336 VanDerWaalsContact C-N 3.25Å; A334-L336 PolarHBondContact O-N 2.97Å
335F43.6Very low47.8Very low25 Ų2572 Ų7211%0.1142%0.423CS..G310 helixtrans-76.5-8.7173.1-134.3-116000113.9P107 L328 G332 P333P107-F335 HydrophobicContact CB-CE1 4.39Å; P107-F335 HydrophobicContact CG-CD1 3.16Å; P107-F335 HydrophobicContact CG-CE1 3.07Å; P107-F335 HydrophobicContact CG-CG 4.08Å; P107-F335 HydrophobicContact CG-CZ 3.96Å; L328-F335 HydrophobicContact CB-CE1 3.85Å; L328-F335 HydrophobicContact CB-CZ 4.31Å; L328-F335 HydrophobicContact CD2-CE1 3.51Å; L328-F335 HydrophobicContact CD2-CZ 3.39Å; L328-F335 HydrophobicContact CG-CE1 4.12Å; L328-F335 HydrophobicContact CG-CZ 4.39Å; G332-F335 WeakPolarHBondContact O-CB 3.18Å; G332-F335 PolarHBondContact O-N 3.22Å; P333-F335 PolarHBondContact O-N 2.94Å
336L42.4Very low45Very low19 Ų1969.3 Ų69.310%0.09942%0.417CS..G310 helixtrans-102.811.3-172.7-62.7168.4000113.7I31 I41 L104 V105 Y165 P333 A334 M338I31-L336 HydrophobicContact CG2-CB 4.29Å; I41-L336 HydrophobicContact CD1-CD1 3.53Å; I41-L336 HydrophobicContact CG1-CD1 4.27Å; L104-L336 HydrophobicContact CD1-CD1 4.36Å; L104-L336 HydrophobicContact CD1-CD2 4.16Å; L104-L336 HydrophobicContact CD2-CD1 4.02Å; L104-L336 HydrophobicContact CD2-CD2 4.26Å; L104-L336 HydrophobicContact CG-CD2 4.15Å; V105-L336 WeakPolarHBondContact O-CD2 3.37Å; Y165-L336 HydrophobicContact CD2-CD2 4.08Å; Y165-L336 HydrophobicContact CE2-CD2 4.08Å; P333-L336 HydrophobicContact CB-CD1 4.18Å; P333-L336 WeakPolarHBondContact O-CB 3.05Å; P333-L336 PolarHBondContact O-N 3.06Å; A334-L336 VanDerWaalsContact C-N 3.25Å; A334-L336 PolarHBondContact O-N 2.97Å; L336-M338 PolarHBondContact O-N 3.47Å
337S38Very low42.4Very low53 Ų5374 Ų7437%0.37144%0.442SS..  trans-6699.3173.7700000109.3S339S337-S339 PolarHBondContact O-N 3.06Å
338M41.8Very low40.5Very low34 Ų3472.5 Ų72.517%0.16743%0.432CS..  trans-6597.8156.6-70-160-134.100104.7V39 A52 M102 V105 I176 L336 E340V39-M338 HydrophobicContact CG1-CE 4.27Å; A52-M338 HydrophobicContact CB-CE 3.93Å; M102-M338 HydrophobicContact CE-CE 4.47Å; V105-M338 HydrophobicContact CG2-CE 3.85Å; V105-M338 HydrophobicContact CG2-SD 4.47Å; I176-M338 HydrophobicContact CD1-SD 3.78Å; L336-M338 PolarHBondContact O-N 3.47Å; M338-E340 PolarHBondContact O-N 3.47Å
339S36.9Very low38.9Very low48 Ų4877.4 Ų77.434%0.33645%0.454SS..  trans-17.5123.2-175.652.70000114.1N108 S337 T341N108-S339 PolarHBondContact ND2-OG 3.41Å; S337-S339 PolarHBondContact O-N 3.06Å; S339-T341 PolarHBondContact O-N 2.85Å
340E33.4Very low37.6Very low150 Ų15074.9 Ų74.970%0.70145%0.446SS*.  trans-39.7124.5147.6-68.7174.7164.500107.1M338 S342M338-E340 PolarHBondContact O-N 3.47Å; E340-S342 PolarHBondContact O-N 3.16Å
341T33Very low36.9Very low57 Ų5776.8 Ų76.835%0.3545%0.452SS..  trans-52.1114.7165.538.20000105.7S339 D343S339-T341 PolarHBondContact O-N 2.85Å; T341-D343 WeakPolarHBondContact CB-OD1 3.2Å; T341-D343 PolarHBondContact O-N 3.28Å; T341-D343 VanDerWaalsContact OG1-CG 3.3Å; T341-D343 PolarHBondContact OG1-OD1 3.07Å; T341-D343 PolarHBondContact OG1-OD2 3Å
342S32.1Very low36.2Very low84 Ų8479.7 Ų79.759%0.58747%0.472SS*.  trans-66.378.7167.458.50000106.3E340 A344E340-S342 PolarHBondContact O-N 3.16Å; S342-A344 PolarHBondContact O-N 3.36Å
343D34.9Very low35.6Very low56 Ų5690.3 Ų90.330%0.29951%0.51SS..G310 helixtrans-68.94-179.7-74.3-40.1000111.3T341 E345 S346T341-D343 WeakPolarHBondContact CB-OD1 3.2Å; T341-D343 PolarHBondContact O-N 3.28Å; T341-D343 VanDerWaalsContact OG1-CG 3.3Å; T341-D343 PolarHBondContact OG1-OD1 3.07Å; T341-D343 PolarHBondContact OG1-OD2 3Å; D343-E345 PolarHBondContact O-N 2.89Å; D343-S346 PolarHBondContact O-N 3.38Å
344A32.6Very low35.4Very low83 Ų8390.4 Ų90.469%0.68651%0.507SS*.G310 helixtrans-58.4-28.8172.200000112.7S342S342-A344 PolarHBondContact O-N 3.36Å
345E38.1Very low35.4Very low81 Ų8191.3 Ų91.338%0.37950%0.501SS..G310 helixtrans-91.6-13.4-178.5-66.9-174.9172.700113.9Y204 D343Y204-E345 HydrophobicContact CD2-CB 4.49Å; Y204-E345 WeakPolarHBondContact CE2-O 3.42Å; D343-E345 PolarHBondContact O-N 2.89Å
346S35.6Very low34.9Very low41 Ų4194.9 Ų94.929%0.28752%0.523SS..  trans-102.811.9-177.570.20000115.5D343 H348D343-S346 PolarHBondContact O-N 3.38Å; S346-H348 PolarHBondContact O-N 3.49Å
347N34.9Very low34.5Very low131 Ų13199.4 Ų99.470%0.70155%0.548SS*.  trans-67.78.5-175.3-86.6-24.5000116.1
348H38Very low34.3Very low66 Ų66102.3 Ų102.331%0.30656%0.559SS.*  trans-106.878.8170.9-65.6-59.4000109.5F251 S346F251-H348 WeakPolarHBondContact CB-O 3.38Å; F251-H348 WeakPolarHBondContact CD2-O 3.43Å; S346-H348 PolarHBondContact O-N 3.49Å
349E37.6Very low33.8Very low127 Ų127106.9 Ų106.959%0.59359%0.585SS**  trans-94142.5154.7-107.6173.5-16300108.6R35 K351R35-E349 IonicContact CZ-OE1 2.66Å; R35-E349 IonicContact CZ-OE2 3.19Å; R35-E349 IonicContact NH1-OE1 3.67Å; R35-E349 PolarHBondContact NH1-OE1 2.96Å; R35-E349 IonicContact NH1-OE2 3.82Å; R35-E349 VanDerWaalsContact NH2-CD 3.25Å; R35-E349 IonicContact NH2-OE1 3.36Å; R35-E349 PolarHBondContact NH2-OE1 3.31Å; R35-E349 IonicContact NH2-OE2 3.75Å; R35-E349 PolarHBondContact NH2-OE2 3.22Å; E349-K351 PolarHBondContact O-N 3.12Å
350P30.7Very low33.5Very low97 Ų97111.1 Ų111.163%0.6360%0.603SS**  trans-65.6132.3179.615.3-8000108.3S352P350-S352 PolarHBondContact O-N 3.4Å
351K28.6Very low33.6Very low200 Ų200108.1 Ų108.187%0.8760%0.595SS**  trans-56115.9157.3-72-179.8179.31740105.5E349 E353E349-K351 PolarHBondContact O-N 3.12Å; K351-E353 PolarHBondContact O-N 3.41Å; K351-E353 VanDerWaalsContact O-N 3.1Å
352S30.1Very low33.6Very low116 Ų116112.3 Ų112.381%0.81162%0.616SS**  trans-57.8115.816951.10000107.3P350P350-S352 PolarHBondContact O-N 3.4Å
353E30.3Very low33.8Very low266 Ų266114.9 Ų114.9100%1.24362%0.619SS**  trans-62.40163.4-73.1-175.9158.300111.1K351K351-E353 PolarHBondContact O-N 3.41Å; K351-E353 VanDerWaalsContact O-N 3.1Å

Retrieved 353 of 353 residues in 397.4 ms (Link to these results)

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