A0A088QCU6_HUMAN Loading...

Choline transporter-like protein

Choline transporter.

AlphaFold DB , UniProt , Accession A0A088QCU6, Species HUMAN (Homo sapiens, Human), Gene SLC44A2, Length 704 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low54Low194 Ų194110.5 Ų110.596%0.95658%0.579SS**  0-56.40-81.7-172.9-177.800114.6E4 R5M1-E4 PolarHBondContact N-OE2 3.13Å; M1-E4 PolarHBondContact O-N 3.05Å; M1-R5 PolarHBondContact O-N 3.37Å
2E37.1Very low55.9Low152 Ų152110.6 Ų110.671%0.7159%0.588SS**Hα-helixtrans-71-37.8-179.2-145.8-178.6169.300113.5K6E2-K6 PolarHBondContact O-N 3.36Å
3D45.4Very low57.7Low121 Ų121106.2 Ų106.265%0.64757%0.569SS**Hα-helixtrans-70.6-32.5173.7-79.8-26.1000112.9K6 N7D3-K6 PolarHBondContact O-N 2.69Å; D3-N7 VanDerWaalsContact O-CG 3.25Å; D3-N7 PolarHBondContact O-N 3.24Å; D3-N7 PolarHBondContact O-ND2 2.81Å
4E45.4Very low59.4Low143 Ų143104.3 Ų104.367%0.66856%0.555SS**Hα-helixtrans-72.7-37.5176.2-73.1172.4139.900112.3M1 N7M1-E4 PolarHBondContact N-OE2 3.13Å; M1-E4 PolarHBondContact O-N 3.05Å; E4-N7 PolarHBondContact O-N 3.47Å
5R46.4Very low61Low223 Ų223108.8 Ų108.884%0.84257%0.568SS**Hα-helixtrans-65.1-37.9172.2-106.9-176-173.2-177.23.2112.3M1 G8M1-R5 PolarHBondContact O-N 3.37Å; R5-G8 PolarHBondContact O-N 3.37Å
6K49.9Very low62.3Low72 Ų72106.6 Ų106.631%0.31355%0.551SS.*Hα-helixtrans-65-36.6176.4-84175.2173.8162.80112.9E2 D3 G8 A9 Y10E2-K6 PolarHBondContact O-N 3.36Å; D3-K6 PolarHBondContact O-N 2.69Å; K6-G8 VanDerWaalsContact C-N 3.28Å; K6-G8 PolarHBondContact O-N 3.4Å; K6-A9 PolarHBondContact O-N 2.88Å; K6-Y10 WeakPolarHBondContact O-CD2 3.47Å; K6-Y10 PolarHBondContact O-N 3.26Å
7N53.1Low63.4Low59 Ų59104.2 Ų104.232%0.31654%0.539SS..Hα-helixtrans-67.9-24.8179.6-71.9-21.1000113.4D3 E4 G11D3-N7 VanDerWaalsContact O-CG 3.25Å; D3-N7 PolarHBondContact O-N 3.24Å; D3-N7 PolarHBondContact O-ND2 2.81Å; E4-N7 PolarHBondContact O-N 3.47Å; N7-G11 CarbonylContact O-C 3.48Å; N7-G11 PolarHBondContact O-N 3.29Å; N7-G11 VanDerWaalsContact O-O 3.08Å
8G59.9Low64.1Low70 Ų70103.4 Ų103.472%0.72254%0.542SS*.Hα-helixtrans-71.7-37.8175.900000114.2R5 K6R5-G8 PolarHBondContact O-N 3.37Å; K6-G8 VanDerWaalsContact C-N 3.28Å; K6-G8 PolarHBondContact O-N 3.4Å
9A68.1Low64.9Low69 Ų69103.8 Ų103.857%0.5755%0.549SS*.Hα-helixtrans-83.4-28.2-176.500000113.8K6K6-A9 PolarHBondContact O-N 2.88Å
10Y76.8Confident65.8Low84 Ų8499.7 Ų99.733%0.32953%0.526SS..SBendtrans-115.424-175-57.3-66.7000113.5K6 F580 M583K6-Y10 WeakPolarHBondContact O-CD2 3.47Å; K6-Y10 PolarHBondContact O-N 3.26Å; Y10-F580 HydrophobicContact CD1-CD1 4.26Å; Y10-F580 HydrophobicContact CD1-CE1 4.5Å; Y10-F580 VanDerWaalsContact O-CB 3.28Å; Y10-F580 WeakPolarHBondContact O-CB 3.3Å; Y10-F580 WeakPolarHBondContact O-CG 3.36Å; Y10-M583 HydrophobicContact CD1-CB 3.63Å; Y10-M583 HydrophobicContact CD1-CG 4.15Å; Y10-M583 HydrophobicContact CD2-CB 4.29Å; Y10-M583 HydrophobicContact CE1-CB 3.83Å; Y10-M583 HydrophobicContact CE1-CG 4Å; Y10-M583 HydrophobicContact CE2-CB 4.47Å; Y10-M583 HydrophobicContact CG-CB 3.88Å
11G73.3Confident66.3Low29 Ų29103.2 Ų103.230%0.29954%0.537SS..  trans73.3164.4177.300000115N7 R584N7-G11 CarbonylContact O-C 3.48Å; N7-G11 PolarHBondContact O-N 3.29Å; N7-G11 VanDerWaalsContact O-O 3.08Å; G11-R584 PolarHBondContact O-NH1 3.26Å
12T77Confident68.4Low111 Ų11194.1 Ų94.168%0.68149%0.493SS*.PPolyproline II helixtrans-76.8145.7-174.455.20000112.8R584T12-R584 PolarHBondContact O-NH1 2.88Å
13P78.4Confident70.6Confident53 Ų5387.2 Ų87.234%0.34446%0.461SS..PPolyproline II helixtrans-49.8146.7171.6-29.136.7000112.9K15 R584 E674P13-K15 PolarHBondContact O-N 3.24Å; P13-R584 VanDerWaalsContact N-NH1 3.14Å; P13-E674 WeakPolarHBondContact CA-OE2 3.42Å; P13-E674 HydrophobicContact CB-CB 4.23Å; P13-E674 HydrophobicContact CB-CG 4.19Å
14Q81.2Confident72.4Confident80 Ų8084.6 Ų84.637%0.37445%0.447SS..PPolyproline II helixtrans-65.5127179.6-165.165.76.200110.2E674 R675Q14-E674 HydrophobicContact CB-CB 4.45Å; Q14-E674 PolarHBondContact N-OE2 3.11Å; Q14-E674 CarbonylContact O-C 3.22Å; Q14-R675 HydrophobicContact CB-CG 4.09Å; Q14-R675 HydrophobicContact CG-CG 4.04Å
15K83.4Confident73.7Confident172 Ų17283.8 Ų83.875%0.74844%0.438SS*.PPolyproline II helixtrans-74.4150.8-179.4-62-175-178.4-179.80111P13P13-K15 PolarHBondContact O-N 3.24Å
16Y81.8Confident75.3Confident74 Ų7480.6 Ų80.629%0.2944%0.438SS..PPolyproline II helixtrans-60.4134.7172178.8-100.5000110.9P18 R675 N676 E681 R682Y16-P18 HydrophobicContact CE1-CB 3.88Å; Y16-P18 HydrophobicContact CE1-CG 4.39Å; Y16-R675 WeakPolarHBondContact CB-O 3.29Å; Y16-N676 WeakPolarHBondContact CD2-OD1 3.5Å; Y16-E681 PolarHBondContact OH-O 3.35Å; Y16-R682 HydrophobicContact CD1-CG 4.12Å; Y16-R682 HydrophobicContact CD2-CB 3.85Å; Y16-R682 HydrophobicContact CD2-CG 3.58Å; Y16-R682 HydrophobicContact CE1-CG 4.05Å; Y16-R682 HydrophobicContact CE2-CB 3.71Å; Y16-R682 HydrophobicContact CE2-CG 3.5Å; Y16-R682 HydrophobicContact CG-CG 3.89Å
17D81.6Confident77Confident65 Ų6578.7 Ų78.735%0.34843%0.429SS..  trans-132.3112.9176.1175.7-2.1000108.3T19 F20D17-T19 PolarHBondContact O-N 2.73Å; D17-T19 WeakPolarHBondContact OD1-CB 3.32Å; D17-T19 PolarHBondContact OD1-N 3.06Å; D17-T19 PolarHBondContact OD1-OG1 3.2Å; D17-T19 PolarHBondContact OD2-OG1 3.34Å; D17-F20 HydrophobicContact CB-CB 4.02Å; D17-F20 PolarHBondContact O-N 2.65Å
18P76.1Confident78.6Confident91 Ų9178.4 Ų78.459%0.59144%0.439SS*.THydrogen-bonded Turntrans-67.8-17.2-177.327.9-34.3000113.4Y16Y16-P18 HydrophobicContact CE1-CB 3.88Å; Y16-P18 HydrophobicContact CE1-CG 4.39Å
19T78.9Confident80.1Confident111 Ų11178.5 Ų78.568%0.68143%0.428SS*.THydrogen-bonded Turntrans-87.9-14.1179.570.10000112.8D17 K21D17-T19 PolarHBondContact O-N 2.73Å; D17-T19 WeakPolarHBondContact OD1-CB 3.32Å; D17-T19 PolarHBondContact OD1-N 3.06Å; D17-T19 PolarHBondContact OD1-OG1 3.2Å; D17-T19 PolarHBondContact OD2-OG1 3.34Å; T19-K21 PolarHBondContact O-N 2.85Å
20F82.8Confident81.3Confident21 Ų2176 Ų769%0.09241%0.406CS..  trans-78109.7-177.3-176.7-100.8000111.5D17 G22 W475 I566 Y567 R675D17-F20 HydrophobicContact CB-CB 4.02Å; D17-F20 PolarHBondContact O-N 2.65Å; F20-G22 VanDerWaalsContact CE2-O 3.24Å; F20-G22 WeakPolarHBondContact CE2-O 3.44Å; F20-W475 AromaticContact CE1-CD2 3.88Å; F20-W475 HydrophobicContact CE1-CD2 3.88Å; F20-W475 AromaticContact CE1-CE2 3.73Å; F20-W475 HydrophobicContact CE1-CE3 4.05Å; F20-W475 AromaticContact CE1-CH2 3.97Å; F20-W475 HydrophobicContact CE1-CH2 3.97Å; F20-W475 AromaticContact CE1-CZ2 3.79Å; F20-W475 HydrophobicContact CE1-CZ2 3.79Å; F20-W475 HydrophobicContact CE1-CZ3 4.1Å; F20-W475 HydrophobicContact CZ-CZ2 4.43Å; F20-I566 HydrophobicContact CE2-CG2 4.04Å; F20-I566 HydrophobicContact CZ-CG2 3.71Å; F20-Y567 HydrophobicContact CE2-CD1 4.46Å; F20-Y567 HydrophobicContact CE2-CE1 4.04Å; F20-R675 VanDerWaalsContact CG-NH1 3.33Å
21K76.1Confident82Confident173 Ų17373.9 Ų73.975%0.75240%0.4SS*.  trans-115.128.2177.4-59.8-175.1-178.1-1780112.5T19T19-K21 PolarHBondContact O-N 2.85Å
22G82.8Confident83Confident3 Ų377.5 Ų77.53%0.03141%0.412CS..SBendtrans100-142-176.900000113.5F20 I24 W475F20-G22 VanDerWaalsContact CE2-O 3.24Å; F20-G22 WeakPolarHBondContact CE2-O 3.44Å; G22-I24 PolarHBondContact O-N 3.1Å; G22-I24 VanDerWaalsContact O-N 3.13Å; G22-W475 VanDerWaalsContact CA-CB 3.41Å; G22-W475 VanDerWaalsContact CA-CG 3.41Å
23P83.7Confident83.9Confident7 Ų779.1 Ų79.15%0.04542%0.415CS..SBendtrans-54.6119-174.6-29.238000113.1Y25 A471 I566P23-Y25 PolarHBondContact O-N 3.45Å; P23-A471 HydrophobicContact CG-CB 3.78Å; P23-I566 VanDerWaalsContact CA-O 3.3Å; P23-I566 WeakPolarHBondContact CA-O 3.31Å
24I83.6Confident84.6Confident67 Ų6777.9 Ų77.934%0.34441%0.407SS..  trans-64.6130.5-178.4-59.5179.4000109.1G22 N26 R27 I566 Y567G22-I24 PolarHBondContact O-N 3.1Å; G22-I24 VanDerWaalsContact O-N 3.13Å; I24-N26 WeakPolarHBondContact CG2-O 3.46Å; I24-R27 VanDerWaalsContact O-CZ 3.28Å; I24-R27 PolarHBondContact O-NE 2.97Å; I24-R27 PolarHBondContact O-NH2 2.66Å; I24-I566 PolarHBondContact N-O 2.85Å; I24-Y567 HydrophobicContact CD1-CD1 4.28Å
25Y73.8Confident85.2Confident126 Ų12675.6 Ų75.649%0.49440%0.399SS..SBendtrans-88.1-39.3-179.2-72.3-82.5000113.2P23 R27P23-Y25 PolarHBondContact O-N 3.45Å; Y25-R27 PolarHBondContact O-N 3.19Å
26N79Confident85.8Confident156 Ų15671 Ų7183%0.83439%0.385SS*.SBendtrans-81.5109.4176.3-75.6-12.4000110.1I24I24-N26 WeakPolarHBondContact CG2-O 3.46Å
27R86.1Confident86.4Confident32 Ų3272.5 Ų72.512%0.12139%0.394CS..  trans-134.7150.5-175-60.1-174.9-179.7-158.5-1.4111.8I24 Y25 Y498 H499 I564 A565 I566 G568I24-R27 VanDerWaalsContact O-CZ 3.28Å; I24-R27 PolarHBondContact O-NE 2.97Å; I24-R27 PolarHBondContact O-NH2 2.66Å; Y25-R27 PolarHBondContact O-N 3.19Å; R27-Y498 HydrophobicContact CB-CD1 4.48Å; R27-Y498 HydrophobicContact CB-CG 4.27Å; R27-Y498 WeakPolarHBondContact O-CE1 3.45Å; R27-H499 VanDerWaalsContact CD-NE2 3.33Å; R27-H499 WeakPolarHBondContact CD-NE2 3.49Å; R27-H499 PolarHBondContact NH1-NE2 3.45Å; R27-I564 PolarHBondContact NH1-O 2.88Å; R27-A565 PolarHBondContact NH1-O 2.94Å; R27-A565 PolarHBondContact NH2-O 3.39Å; R27-I566 PolarHBondContact NH2-O 3.36Å; R27-G568 VanDerWaalsContact NH1-CA 3.29Å
28G87.3Confident87.1Confident52 Ų5269.7 Ų69.754%0.53638%0.379SS..  trans-93.3162.4164.600000111.7
29C91.3Very high88Confident73 Ų7370.2 Ų70.249%0.49338%0.376SS..  trans-66.3136.9171.1-640000110.6I32 Y498C29-I32 HydrophobicContact CB-CD1 4.09Å; C29-I32 HydrophobicContact CB-CG1 3.94Å; C29-Y498 CarbonylContact C-O 3.48Å; C29-Y498 VanDerWaalsContact CA-O 3.31Å; C29-Y498 WeakPolarHBondContact CA-O 3.18Å
30T91.9Very high88.8Confident15 Ų1570.5 Ų70.59%0.09237%0.373CS..  trans-108.9143.5-177.957.90000111.8I32 Y498 H499 S502 G568T30-I32 VanDerWaalsContact C-N 3.35Å; T30-I32 PolarHBondContact O-N 3.44Å; T30-Y498 PolarHBondContact N-O 3.47Å; T30-Y498 PolarHBondContact OG1-O 3.4Å; T30-H499 WeakPolarHBondContact OG1-CA 3.38Å; T30-H499 PolarHBondContact OG1-ND1 2.86Å; T30-S502 WeakPolarHBondContact CB-OG 3.42Å; T30-S502 PolarHBondContact OG1-OG 3.36Å; T30-G568 VanDerWaalsContact CG2-O 3.24Å; T30-G568 WeakPolarHBondContact CG2-O 3.48Å
31D93.3Very high89.4Confident41 Ų4170 Ų7022%0.21937%0.373CS..  trans5048.5176.9-57.4-58.9000113.6I33 C34 C35 G501 S502 N570 F571D31-I33 PolarHBondContact O-N 3.01Å; D31-I33 VanDerWaalsContact O-N 3.16Å; D31-C34 HydrophobicContact CB-CB 4.32Å; D31-C34 WeakPolarHBondContact O-CB 3.12Å; D31-C34 PolarHBondContact O-N 2.66Å; D31-C35 PolarHBondContact O-N 2.99Å; D31-G501 VanDerWaalsContact O-CA 3.31Å; D31-G501 WeakPolarHBondContact O-CA 3.07Å; D31-S502 VanDerWaalsContact OD2-CA 3.31Å; D31-S502 WeakPolarHBondContact OD2-CA 3.47Å; D31-S502 VanDerWaalsContact OD2-CB 3.27Å; D31-S502 WeakPolarHBondContact OD2-CB 3.28Å; D31-S502 PolarHBondContact OD2-OG 2.82Å; D31-N570 WeakPolarHBondContact OD2-CA 3.23Å; D31-N570 WeakPolarHBondContact OD2-CB 3.49Å; D31-F571 PolarHBondContact OD2-N 3Å
32I93.8Very high90.4Very high104 Ų10464.7 Ų64.753%0.53335%0.352SS..Hα-helixtrans-54.9-38-172.9-59.8172.8000112.2C29 T30 C34 C35 V36C29-I32 HydrophobicContact CB-CD1 4.09Å; C29-I32 HydrophobicContact CB-CG1 3.94Å; T30-I32 VanDerWaalsContact C-N 3.35Å; T30-I32 PolarHBondContact O-N 3.44Å; I32-C34 VanDerWaalsContact C-N 3.32Å; I32-C34 PolarHBondContact O-N 3.06Å; I32-C35 WeakPolarHBondContact O-CA 3.18Å; I32-C35 VanDerWaalsContact O-CB 3.29Å; I32-C35 WeakPolarHBondContact O-CB 3.4Å; I32-C35 PolarHBondContact O-N 2.77Å; I32-V36 HydrophobicContact CG2-CG2 4.43Å; I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.02Å
33I94.5Very high91Very high145 Ų14569.3 Ų69.374%0.74438%0.379SS*.Hα-helixtrans-58.5-44.4177.9-61.4173.3000110.9D31 C35 V36 F37D31-I33 PolarHBondContact O-N 3.01Å; D31-I33 VanDerWaalsContact O-N 3.16Å; I33-C35 VanDerWaalsContact C-N 3.28Å; I33-C35 PolarHBondContact O-N 3.13Å; I33-V36 PolarHBondContact O-N 3.33Å; I33-F37 WeakPolarHBondContact O-CB 3.25Å; I33-F37 PolarHBondContact O-N 2.74Å
34C93.7Very high91.6Very high27 Ų2770.4 Ų70.418%0.18239%0.392CS..Hα-helixtrans-67.4-31.4177.7-63.80000111.9D31 I32 L38 G501 F505D31-C34 HydrophobicContact CB-CB 4.32Å; D31-C34 WeakPolarHBondContact O-CB 3.12Å; D31-C34 PolarHBondContact O-N 2.66Å; I32-C34 VanDerWaalsContact C-N 3.32Å; I32-C34 PolarHBondContact O-N 3.06Å; C34-L38 WeakPolarHBondContact O-CB 3.4Å; C34-L38 PolarHBondContact O-N 2.84Å; C34-G501 WeakPolarHBondContact CB-O 3.26Å; C34-F505 HydrophobicContact CB-CB 4.05Å; C34-F505 VanDerWaalsContact SG-CD2 3.54Å
35C93.9Very high92.2Very high32 Ų3267.7 Ų67.722%0.21638%0.378CS..Hα-helixtrans-66.2-46.7173.1-173.80000111.4D31 I32 I33 F37 L38 L39D31-C35 PolarHBondContact O-N 2.99Å; I32-C35 WeakPolarHBondContact O-CA 3.18Å; I32-C35 VanDerWaalsContact O-CB 3.29Å; I32-C35 WeakPolarHBondContact O-CB 3.4Å; I32-C35 PolarHBondContact O-N 2.77Å; I33-C35 VanDerWaalsContact C-N 3.28Å; I33-C35 PolarHBondContact O-N 3.13Å; C35-F37 VanDerWaalsContact C-N 3.34Å; C35-F37 PolarHBondContact O-N 2.85Å; C35-L38 PolarHBondContact O-N 3.43Å; C35-L39 WeakPolarHBondContact O-CG 3.3Å; C35-L39 PolarHBondContact O-N 2.69Å
36V95.4Very high93.2Very high75 Ų7565 Ų6546%0.45537%0.374SS..Hα-helixtrans-61.2-44.4175.7174.70000110.7I32 I33 L38 L39 L40I32-V36 HydrophobicContact CG2-CG2 4.43Å; I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.02Å; I33-V36 PolarHBondContact O-N 3.33Å; V36-L38 PolarHBondContact O-N 2.87Å; V36-L39 PolarHBondContact O-N 3.11Å; V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 3.43Å
37F95.6Very high93.9Very high107 Ų10759.8 Ų59.847%0.46935%0.352SS..Hα-helixtrans-61.8-41.8177.9-173.3-114.8000112.2I33 C35 L40 A41 W453 L508I33-F37 WeakPolarHBondContact O-CB 3.25Å; I33-F37 PolarHBondContact O-N 2.74Å; C35-F37 VanDerWaalsContact C-N 3.34Å; C35-F37 PolarHBondContact O-N 2.85Å; F37-L40 PolarHBondContact O-N 3.3Å; F37-A41 VanDerWaalsContact O-CB 3.27Å; F37-A41 WeakPolarHBondContact O-CB 3.19Å; F37-A41 PolarHBondContact O-N 3.39Å; F37-W453 AromaticContact CD1-CH2 3.23Å; F37-W453 HydrophobicContact CD1-CH2 3.23Å; F37-W453 AromaticContact CD1-CZ2 3.95Å; F37-W453 HydrophobicContact CD1-CZ2 3.95Å; F37-W453 HydrophobicContact CD1-CZ3 4.09Å; F37-W453 AromaticContact CE1-CH2 3.31Å; F37-W453 HydrophobicContact CE1-CH2 3.31Å; F37-W453 HydrophobicContact CE1-CZ2 4.23Å; F37-W453 AromaticContact CE1-CZ3 3.72Å; F37-W453 HydrophobicContact CE1-CZ3 3.72Å; F37-W453 HydrophobicContact CG-CH2 4.26Å; F37-W453 HydrophobicContact CZ-CH2 4.41Å; F37-L508 HydrophobicContact CE1-CD2 4.39Å
38L95.4Very high94.3Very high5 Ų559 Ų593%0.02635%0.351CS..Hα-helixtrans-61.6-44.7174.2179.865.9000111.7C34 C35 V36 A41 I42 W453 L454 F457 T500 A504C34-L38 WeakPolarHBondContact O-CB 3.4Å; C34-L38 PolarHBondContact O-N 2.84Å; C35-L38 PolarHBondContact O-N 3.43Å; V36-L38 PolarHBondContact O-N 2.87Å; L38-A41 PolarHBondContact O-N 2.78Å; L38-I42 HydrophobicContact CD1-CD1 4.21Å; L38-I42 HydrophobicContact CD1-CG1 4.41Å; L38-I42 HydrophobicContact CG-CD1 3.95Å; L38-I42 VanDerWaalsContact O-CG1 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.33Å; L38-I42 PolarHBondContact O-N 2.87Å; L38-W453 HydrophobicContact CB-CH2 4.42Å; L38-W453 HydrophobicContact CB-CZ2 4.18Å; L38-W453 HydrophobicContact CD1-CD2 4.25Å; L38-W453 HydrophobicContact CD1-CH2 4.21Å; L38-W453 HydrophobicContact CD1-CZ2 3.86Å; L38-L454 HydrophobicContact CD1-CD2 4.15Å; L38-F457 HydrophobicContact CD2-CD2 3.82Å; L38-F457 HydrophobicContact CD2-CE2 3.71Å; L38-F457 HydrophobicContact CD2-CG 4.36Å; L38-F457 HydrophobicContact CD2-CZ 4.18Å; L38-T500 HydrophobicContact CD2-CG2 4.36Å; L38-A504 HydrophobicContact CB-CB 3.98Å; L38-A504 HydrophobicContact CD2-CB 3.68Å; L38-A504 HydrophobicContact CG-CB 4.31Å
39L95.5Very high94.6Very high103 Ų10356.5 Ų56.554%0.53933%0.325SS..Hα-helixtrans-62.3-46.1178.8-71.4172.5000111.7C35 V36 A41 I42 V43C35-L39 WeakPolarHBondContact O-CG 3.3Å; C35-L39 PolarHBondContact O-N 2.69Å; V36-L39 PolarHBondContact O-N 3.11Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.72Å; L39-I42 PolarHBondContact O-N 2.99Å; L39-V43 WeakPolarHBondContact O-CG2 3.32Å; L39-V43 PolarHBondContact O-N 2.91Å
40L96.4Very high94.7Very high116 Ų11657.4 Ų57.461%0.60732%0.324SS*.Hα-helixtrans-61.2-41.6175.4-69.9174.6000111.8V36 F37 I42 V43 G44V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 3.43Å; F37-L40 PolarHBondContact O-N 3.3Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 3.28Å; L40-V43 PolarHBondContact O-N 3.36Å; L40-G44 PolarHBondContact O-N 2.97Å
41A95.6Very high94.6Very high12 Ų1260 Ų6010%0.09934%0.337CS..Hα-helixtrans-64.2-38.8176.900000112.1F37 L38 L39 G44 Y45 M450 W453F37-A41 VanDerWaalsContact O-CB 3.27Å; F37-A41 WeakPolarHBondContact O-CB 3.19Å; F37-A41 PolarHBondContact O-N 3.39Å; L38-A41 PolarHBondContact O-N 2.78Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.72Å; A41-G44 PolarHBondContact O-N 3.48Å; A41-Y45 VanDerWaalsContact O-CB 3.27Å; A41-Y45 WeakPolarHBondContact O-CB 3.45Å; A41-Y45 PolarHBondContact O-N 3.37Å; A41-M450 HydrophobicContact CB-CE 3.8Å; A41-M450 HydrophobicContact CB-SD 3.9Å; A41-W453 HydrophobicContact CB-CE3 4.39Å; A41-W453 HydrophobicContact CB-CH2 4.02Å; A41-W453 HydrophobicContact CB-CZ3 3.52Å
42I95.8Very high94.4Very high61 Ų6158 Ų5831%0.31333%0.327SS..Hα-helixtrans-63.9-46.2174.3-70.7166.9000110.6L38 L39 L40 G44 Y45 V46 L454L38-I42 HydrophobicContact CD1-CD1 4.21Å; L38-I42 HydrophobicContact CD1-CG1 4.41Å; L38-I42 HydrophobicContact CG-CD1 3.95Å; L38-I42 VanDerWaalsContact O-CG1 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.33Å; L38-I42 PolarHBondContact O-N 2.87Å; L39-I42 PolarHBondContact O-N 2.99Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 3.28Å; I42-G44 VanDerWaalsContact C-N 3.34Å; I42-G44 PolarHBondContact O-N 2.99Å; I42-Y45 WeakPolarHBondContact O-CB 3.4Å; I42-Y45 PolarHBondContact O-N 2.93Å; I42-Y45 VanDerWaalsContact O-N 3.12Å; I42-V46 WeakPolarHBondContact O-CG2 3.31Å; I42-V46 PolarHBondContact O-N 3.47Å; I42-L454 HydrophobicContact CD1-CD2 4.1Å; I42-L454 HydrophobicContact CG1-CD2 3.96Å
43V96.3Very high94.2Very high100 Ų10058.2 Ų58.261%0.60632%0.321SS*.Hα-helixtrans-60.5-45.4177.1172.80000110.9L39 L40 Y45 V46 A47L39-V43 WeakPolarHBondContact O-CG2 3.32Å; L39-V43 PolarHBondContact O-N 2.91Å; L40-V43 PolarHBondContact O-N 3.36Å; V43-Y45 VanDerWaalsContact C-N 3.29Å; V43-Y45 PolarHBondContact O-N 3.29Å; V43-V46 PolarHBondContact O-N 2.88Å; V43-A47 PolarHBondContact O-N 3.06Å
44G95.1Very high93.9Very high30 Ų3056 Ų5631%0.30931%0.314SS..Hα-helixtrans-60.5-38.217400000112.6L40 A41 I42 A47 V48L40-G44 PolarHBondContact O-N 2.97Å; A41-G44 PolarHBondContact O-N 3.48Å; I42-G44 VanDerWaalsContact C-N 3.34Å; I42-G44 PolarHBondContact O-N 2.99Å; G44-A47 WeakPolarHBondContact O-CB 3.28Å; G44-A47 PolarHBondContact O-N 3.18Å; G44-V48 WeakPolarHBondContact O-CG2 3.28Å; G44-V48 PolarHBondContact O-N 3.43Å
45Y96Very high93.4Very high10 Ų1059.9 Ų59.94%0.03933%0.329CS..Hα-helixtrans-69.1-35.5177.9-169.9-140.4000113.3A41 I42 V43 V48 G49 Y375 W376 F446 N447 M450 L454A41-Y45 VanDerWaalsContact O-CB 3.27Å; A41-Y45 WeakPolarHBondContact O-CB 3.45Å; A41-Y45 PolarHBondContact O-N 3.37Å; I42-Y45 WeakPolarHBondContact O-CB 3.4Å; I42-Y45 PolarHBondContact O-N 2.93Å; I42-Y45 VanDerWaalsContact O-N 3.12Å; V43-Y45 VanDerWaalsContact C-N 3.29Å; V43-Y45 PolarHBondContact O-N 3.29Å; Y45-V48 PolarHBondContact O-N 3.32Å; Y45-G49 PolarHBondContact O-N 3.02Å; Y45-Y375 HydrophobicContact CD1-CD1 4.03Å; Y45-Y375 AromaticContact CD1-CE1 3.62Å; Y45-Y375 HydrophobicContact CD1-CE1 3.62Å; Y45-Y375 HydrophobicContact CD2-CE1 4.14Å; Y45-Y375 AromaticContact CE1-CD1 3.28Å; Y45-Y375 HydrophobicContact CE1-CD1 3.28Å; Y45-Y375 AromaticContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CG 4.5Å; Y45-Y375 HydrophobicContact CE2-CD1 4.28Å; Y45-Y375 AromaticContact CE2-CE1 3.81Å; Y45-Y375 HydrophobicContact CE2-CE1 3.81Å; Y45-Y375 HydrophobicContact CG-CE1 4.05Å; Y45-Y375 AromaticContact CZ-CD1 3.44Å; Y45-Y375 VanDerWaalsContact CZ-CD1 3.44Å; Y45-Y375 AromaticContact CZ-CE1 3.4Å; Y45-Y375 VanDerWaalsContact CZ-CE1 3.4Å; Y45-Y375 PolarHBondContact O-OH 3.39Å; Y45-Y375 WeakPolarHBondContact OH-CD1 3.32Å; Y45-W376 WeakPolarHBondContact OH-CA 3.24Å; Y45-F446 HydrophobicContact CD2-CE1 4.09Å; Y45-N447 HydrophobicContact CE2-CB 4.22Å; Y45-N447 WeakPolarHBondContact CE2-OD1 3.28Å; Y45-N447 VanDerWaalsContact CZ-OD1 3.3Å; Y45-N447 PolarHBondContact OH-OD1 3.19Å; Y45-M450 HydrophobicContact CD1-CB 3.81Å; Y45-M450 HydrophobicContact CD1-CE 4.4Å; Y45-M450 HydrophobicContact CD1-CG 4.32Å; Y45-M450 HydrophobicContact CD2-CB 3.76Å; Y45-M450 HydrophobicContact CD2-CG 3.85Å; Y45-M450 HydrophobicContact CE1-CB 3.84Å; Y45-M450 HydrophobicContact CE2-CB 3.83Å; Y45-M450 HydrophobicContact CE2-CG 4.37Å; Y45-M450 HydrophobicContact CG-CB 3.76Å; Y45-M450 HydrophobicContact CG-CE 4.39Å; Y45-M450 HydrophobicContact CG-CG 3.83Å; Y45-L454 HydrophobicContact CD1-CD1 3.95Å; Y45-L454 HydrophobicContact CE1-CD1 3.99Å
46V95.5Very high92.9Very high70 Ų7058.8 Ų58.842%0.42432%0.323SS..Hα-helixtrans-63-45.3169.5174.60000110.7I42 V43 V48 G49 I50 Y375I42-V46 WeakPolarHBondContact O-CG2 3.31Å; I42-V46 PolarHBondContact O-N 3.47Å; V43-V46 PolarHBondContact O-N 2.88Å; V46-V48 PolarHBondContact O-N 3.29Å; V46-G49 PolarHBondContact O-N 2.93Å; V46-G49 VanDerWaalsContact O-N 3.13Å; V46-I50 HydrophobicContact CG1-CD1 4.07Å; V46-I50 WeakPolarHBondContact O-CG1 3.38Å; V46-I50 PolarHBondContact O-N 3.44Å; V46-Y375 VanDerWaalsContact CA-OH 3.3Å; V46-Y375 WeakPolarHBondContact CA-OH 3.24Å
47A94.6Very high92.3Very high45 Ų4556.6 Ų56.637%0.37231%0.309SS..Hα-helixtrans-60.3-42.9176.900000112.4V43 G44 G49 I50 I51V43-A47 PolarHBondContact O-N 3.06Å; G44-A47 WeakPolarHBondContact O-CB 3.28Å; G44-A47 PolarHBondContact O-N 3.18Å; A47-G49 VanDerWaalsContact C-N 3.32Å; A47-G49 PolarHBondContact O-N 2.91Å; A47-I50 PolarHBondContact O-N 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.02Å; A47-I51 PolarHBondContact O-N 3.24Å
48V93.2Very high91.5Very high15 Ų1553.6 Ų53.69%0.09130%0.301CS..Hα-helixtrans-61.8-39.9174.4171.80000111.5G44 Y45 V46 I51 A52 T379 L383 L443 F446G44-V48 WeakPolarHBondContact O-CG2 3.28Å; G44-V48 PolarHBondContact O-N 3.43Å; Y45-V48 PolarHBondContact O-N 3.32Å; V46-V48 PolarHBondContact O-N 3.29Å; V48-I51 PolarHBondContact O-N 3.21Å; V48-A52 VanDerWaalsContact O-CB 3.28Å; V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 3.17Å; V48-T379 HydrophobicContact CG1-CG2 4.36Å; V48-L383 HydrophobicContact CG1-CD1 4.33Å; V48-L443 HydrophobicContact CG1-CD2 4.29Å; V48-L443 HydrophobicContact CG2-CD2 3.95Å; V48-F446 HydrophobicContact CG2-CD1 3.99Å; V48-F446 HydrophobicContact CG2-CE1 3.93Å
49G93.3Very high90.8Very high0 Ų058.8 Ų58.80%032%0.32CS..Hα-helixtrans-59.6-47.1174.100000112.3Y45 V46 A47 I51 A52 W53Y45-G49 PolarHBondContact O-N 3.02Å; V46-G49 PolarHBondContact O-N 2.93Å; V46-G49 VanDerWaalsContact O-N 3.13Å; A47-G49 VanDerWaalsContact C-N 3.32Å; A47-G49 PolarHBondContact O-N 2.91Å; G49-I51 PolarHBondContact O-N 3.29Å; G49-A52 PolarHBondContact O-N 3.46Å; G49-W53 WeakPolarHBondContact O-CB 3.23Å; G49-W53 VanDerWaalsContact O-CD2 3.25Å; G49-W53 PolarHBondContact O-N 2.84Å
50I93.4Very high89.7Confident92 Ų9257 Ų5747%0.47231%0.308SS..Hα-helixtrans-60.4-46.4177.2-64.9166.2000111.1V46 A47 A52 W53 T54V46-I50 HydrophobicContact CG1-CD1 4.07Å; V46-I50 WeakPolarHBondContact O-CG1 3.38Å; V46-I50 PolarHBondContact O-N 3.44Å; A47-I50 PolarHBondContact O-N 3.23Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 3.18Å; I50-W53 PolarHBondContact O-N 2.72Å; I50-T54 HydrophobicContact CG2-CG2 4.38Å; I50-T54 WeakPolarHBondContact O-CB 3.39Å; I50-T54 VanDerWaalsContact O-CG2 3.26Å; I50-T54 WeakPolarHBondContact O-CG2 3Å; I50-T54 PolarHBondContact O-N 3.17Å; I50-T54 PolarHBondContact O-OG1 3.37Å
51I90.2Very high88.5Confident70 Ų7056 Ų5636%0.35931%0.306SS..Hα-helixtrans-62.1-44.2177.1-65.4166.3000110.4A47 V48 G49 W53 T54 H55 Y436A47-I51 WeakPolarHBondContact O-CG1 3.02Å; A47-I51 PolarHBondContact O-N 3.24Å; V48-I51 PolarHBondContact O-N 3.21Å; G49-I51 PolarHBondContact O-N 3.29Å; I51-W53 VanDerWaalsContact C-N 3.35Å; I51-W53 PolarHBondContact O-N 2.96Å; I51-T54 WeakPolarHBondContact CA-OG1 3.43Å; I51-T54 PolarHBondContact O-N 3.48Å; I51-T54 PolarHBondContact O-OG1 3.23Å; I51-H55 PolarHBondContact O-CD2 3.21Å; I51-H55 PolarHBondContact O-N 3.17Å; I51-H55 VanDerWaalsContact O-N 3.16Å; I51-Y436 HydrophobicContact CG2-CD2 4.11Å; I51-Y436 HydrophobicContact CG2-CE2 3.51Å
52A89.1Confident87.4Confident0 Ų060.4 Ų60.40%033%0.327CS..Hα-helixtrans-60.9-44.3177.600000111.7V48 G49 I50 G56 T379 F382 L383V48-A52 VanDerWaalsContact O-CB 3.28Å; V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 3.17Å; G49-A52 PolarHBondContact O-N 3.46Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 3.18Å; A52-G56 VanDerWaalsContact O-CA 3.26Å; A52-G56 WeakPolarHBondContact O-CA 3.22Å; A52-G56 PolarHBondContact O-N 3.2Å; A52-T379 HydrophobicContact CB-CG2 4.16Å; A52-F382 HydrophobicContact CB-CB 4.06Å; A52-F382 WeakPolarHBondContact O-CB 3.39Å; A52-L383 HydrophobicContact CB-CD2 3.76Å; A52-L383 HydrophobicContact CB-CG 3.66Å
53W89Confident86.5Confident108 Ų10860 Ų6041%0.40932%0.322SS..Hα-helixtrans-73.8-25.8-177.4-60.2-22.8000113.9G49 I50 I51 Y375 F382G49-W53 WeakPolarHBondContact O-CB 3.23Å; G49-W53 VanDerWaalsContact O-CD2 3.25Å; G49-W53 PolarHBondContact O-N 2.84Å; I50-W53 PolarHBondContact O-N 2.72Å; I51-W53 VanDerWaalsContact C-N 3.35Å; I51-W53 PolarHBondContact O-N 2.96Å; W53-Y375 HydrophobicContact CH2-CD2 4.25Å; W53-Y375 AromaticContact CH2-CE2 3.66Å; W53-Y375 HydrophobicContact CH2-CE2 3.66Å; W53-Y375 HydrophobicContact CZ2-CD2 4.31Å; W53-Y375 AromaticContact CZ2-CE2 3.92Å; W53-Y375 HydrophobicContact CZ2-CE2 3.92Å; W53-F382 HydrophobicContact CB-CD1 4.39Å; W53-F382 AromaticContact CD1-CD1 3.86Å; W53-F382 AromaticContact CD1-CD2 3.66Å; W53-F382 AromaticContact CD1-CG 3.51Å
54T88.5Confident85.5Confident97 Ų9755.6 Ų55.660%0.59530%0.295SS*.Hα-helixtrans-78.6-37.3176.847.40000112.4I50 I51I50-T54 HydrophobicContact CG2-CG2 4.38Å; I50-T54 WeakPolarHBondContact O-CB 3.39Å; I50-T54 VanDerWaalsContact O-CG2 3.26Å; I50-T54 WeakPolarHBondContact O-CG2 3Å; I50-T54 PolarHBondContact O-N 3.17Å; I50-T54 PolarHBondContact O-OG1 3.37Å; I51-T54 WeakPolarHBondContact CA-OG1 3.43Å; I51-T54 PolarHBondContact O-N 3.48Å; I51-T54 PolarHBondContact O-OG1 3.23Å
55H84.4Confident84.6Confident109 Ų10955.1 Ų55.151%0.50529%0.286SS..Hα-helixtrans-97.7-24.9-178.6-68.7-77.1000114.3I51 Y436I51-H55 PolarHBondContact O-CD2 3.21Å; I51-H55 PolarHBondContact O-N 3.17Å; I51-H55 VanDerWaalsContact O-N 3.16Å; H55-Y436 HydrophobicContact CB-CE1 4.47Å
56G83.4Confident83.8Confident10 Ų1054.8 Ų54.810%0.10329%0.285CS..  trans-77.1136-178.500000112.1A52 F382A52-G56 VanDerWaalsContact O-CA 3.26Å; A52-G56 WeakPolarHBondContact O-CA 3.22Å; A52-G56 PolarHBondContact O-N 3.2Å; G56-F382 VanDerWaalsContact CA-O 3.28Å; G56-F382 WeakPolarHBondContact CA-O 3.12Å; G56-F382 WeakPolarHBondContact O-CD1 3.45Å
57D82.4Confident82.9Confident28 Ų2852.9 Ų52.915%0.1528%0.275CS..  trans-114.2100.9171.6-171-11.3000110.3R59 K60 T385D57-R59 PolarHBondContact O-N 3.16Å; D57-R59 WeakPolarHBondContact OD1-CB 3.49Å; D57-R59 VanDerWaalsContact OD1-CG 3.26Å; D57-R59 WeakPolarHBondContact OD1-CG 3.47Å; D57-R59 IonicContact OD1-CZ 3.03Å; D57-R59 PolarHBondContact OD1-N 3.02Å; D57-R59 IonicContact OD1-NE 3.9Å; D57-R59 PolarHBondContact OD1-NE 3.33Å; D57-R59 IonicContact OD1-NH2 3.81Å; D57-R59 IonicContact OD2-CZ 3.32Å; D57-R59 VanDerWaalsContact OD2-CZ 3.28Å; D57-R59 IonicContact OD2-NE 2.83Å; D57-R59 PolarHBondContact OD2-NE 3.08Å; D57-R59 IonicContact OD2-NH2 2.68Å; D57-R59 PolarHBondContact OD2-NH2 3.29Å; D57-K60 HydrophobicContact CB-CD 4.24Å; D57-K60 HydrophobicContact CB-CG 4.28Å; D57-K60 WeakPolarHBondContact O-CB 3.46Å; D57-K60 PolarHBondContact O-N 3.34Å; D57-K60 VanDerWaalsContact O-N 3.08Å; D57-T385 PolarHBondContact N-OG1 3.26Å; D57-T385 WeakPolarHBondContact O-CB 3.42Å; D57-T385 WeakPolarHBondContact O-CG2 3.4Å; D57-T385 PolarHBondContact O-OG1 3.26Å
58P79.4Confident81.8Confident45 Ų4556.3 Ų56.329%0.29228%0.278SS..THydrogen-bonded Turntrans-63.2-17.6-177.627.9-35000112.3K60 V61 F382P58-K60 PolarHBondContact O-N 2.95Å; P58-V61 PolarHBondContact O-N 2.66Å; P58-V61 VanDerWaalsContact O-N 3.12Å; P58-F382 HydrophobicContact CB-CE1 4.48Å; P58-F382 HydrophobicContact CB-CE2 4.33Å; P58-F382 HydrophobicContact CB-CZ 4.17Å; P58-F382 HydrophobicContact CG-CE1 3.86Å; P58-F382 HydrophobicContact CG-CE2 4.31Å; P58-F382 HydrophobicContact CG-CZ 3.66Å
59R79.1Confident80.9Confident113 Ų11356.7 Ų56.743%0.42629%0.286SS..Hα-helixtrans-62.1-29176-61.4174.9-69.3-1733.7112D57 V61 I62 Y63 F71D57-R59 PolarHBondContact O-N 3.16Å; D57-R59 WeakPolarHBondContact OD1-CB 3.49Å; D57-R59 VanDerWaalsContact OD1-CG 3.26Å; D57-R59 WeakPolarHBondContact OD1-CG 3.47Å; D57-R59 IonicContact OD1-CZ 3.03Å; D57-R59 PolarHBondContact OD1-N 3.02Å; D57-R59 IonicContact OD1-NE 3.9Å; D57-R59 PolarHBondContact OD1-NE 3.33Å; D57-R59 IonicContact OD1-NH2 3.81Å; D57-R59 IonicContact OD2-CZ 3.32Å; D57-R59 VanDerWaalsContact OD2-CZ 3.28Å; D57-R59 IonicContact OD2-NE 2.83Å; D57-R59 PolarHBondContact OD2-NE 3.08Å; D57-R59 IonicContact OD2-NH2 2.68Å; D57-R59 PolarHBondContact OD2-NH2 3.29Å; R59-V61 PolarHBondContact O-N 2.98Å; R59-I62 PolarHBondContact O-N 2.86Å; R59-Y63 HydrophobicContact CB-CD2 4.22Å; R59-Y63 PolarHBondContact O-N 3.11Å; R59-F71 HydrophobicContact CB-CE1 4.49Å; R59-F71 HydrophobicContact CB-CZ 4.27Å
60K73.1Confident80.2Confident66 Ų6659.6 Ų59.629%0.28730%0.299SS..Hα-helixtrans-62.2-21.9176-66.6174.8-176.7169.80113.6D57 P58 F71 T385 N387D57-K60 HydrophobicContact CB-CD 4.24Å; D57-K60 HydrophobicContact CB-CG 4.28Å; D57-K60 WeakPolarHBondContact O-CB 3.46Å; D57-K60 PolarHBondContact O-N 3.34Å; D57-K60 VanDerWaalsContact O-N 3.08Å; P58-K60 PolarHBondContact O-N 2.95Å; K60-F71 HydrophobicContact CG-CE1 3.96Å; K60-F71 HydrophobicContact CG-CZ 3.91Å; K60-T385 HydrophobicContact CB-CG2 4.02Å; K60-T385 WeakPolarHBondContact CD-O 3.34Å; K60-T385 PolarHBondContact NZ-O 3.14Å; K60-N387 PolarHBondContact NZ-O 3.46Å
61V71.2Confident79.8Confident96 Ų9656.5 Ų56.558%0.58228%0.282SS*.Hα-helixtrans-80.3-32.8172.2-1770000111.7P58 R59 V381 T385P58-V61 PolarHBondContact O-N 2.66Å; P58-V61 VanDerWaalsContact O-N 3.12Å; R59-V61 PolarHBondContact O-N 2.98Å; V61-V381 HydrophobicContact CG2-CG1 3.99Å; V61-T385 HydrophobicContact CG2-CG2 3.31Å
62I72.7Confident79.5Confident104 Ų10453.2 Ų53.253%0.53327%0.265SS..Hα-helixtrans-90.9-36.9-171.1-58.4170.8000111.9R59 R168R59-I62 PolarHBondContact O-N 2.86Å; I62-R168 PolarHBondContact O-NH1 3.43Å; I62-R168 VanDerWaalsContact O-NH1 3.09Å
63Y76.6Confident79.2Confident53 Ų5353.9 Ų53.921%0.20827%0.272CS..SBendtrans-114.7126.4-174.8-65.2-89.3000110.2R59 C72 G73 Q74R59-Y63 HydrophobicContact CB-CD2 4.22Å; R59-Y63 PolarHBondContact O-N 3.11Å; Y63-C72 WeakPolarHBondContact CD1-O 3.31Å; Y63-G73 WeakPolarHBondContact CE1-O 3.41Å; Y63-Q74 HydrophobicContact CD1-CB 4Å; Y63-Q74 HydrophobicContact CE1-CB 3.98Å; Y63-Q74 HydrophobicContact CG-CB 4.45Å
64P75.5Confident79Confident6 Ų650 Ų504%0.03926%0.258CS..  trans-70.3152.3169.425.2-24.2000110.6C72 L85 R168 R169P64-C72 HydrophobicContact CG-CB 4.19Å; P64-C72 PolarHBondContact O-N 2.99Å; P64-L85 HydrophobicContact CB-CB 3.89Å; P64-L85 HydrophobicContact CB-CD2 3.96Å; P64-L85 HydrophobicContact CB-CG 4.38Å; P64-L85 HydrophobicContact CG-CB 4.04Å; P64-R168 HydrophobicContact CG-CB 3.72Å; P64-R168 VanDerWaalsContact CG-O 3.31Å; P64-R168 WeakPolarHBondContact CG-O 3.1Å; P64-R169 HydrophobicContact CB-CG 4.44Å
65T76Confident78.7Confident20 Ų2053.7 Ų53.712%0.12327%0.266CS..BIsolated β-bridgetrans-112.4138.7178.653.30000110.8E70 F71 L85 Y430T65-E70 CarbonylContact C-O 3.35Å; T65-E70 VanDerWaalsContact CA-O 3.3Å; T65-E70 WeakPolarHBondContact CA-O 3.39Å; T65-F71 HydrophobicContact CG2-CD1 3.47Å; T65-F71 VanDerWaalsContact CG2-CD1 3.47Å; T65-F71 HydrophobicContact CG2-CE1 3.51Å; T65-F71 HydrophobicContact CG2-CG 4.32Å; T65-F71 HydrophobicContact CG2-CZ 4.41Å; T65-L85 WeakPolarHBondContact O-CD1 3.38Å; T65-Y430 VanDerWaalsContact CB-OH 3.26Å; T65-Y430 WeakPolarHBondContact CB-OH 3.32Å; T65-Y430 VanDerWaalsContact CG2-OH 3.28Å; T65-Y430 WeakPolarHBondContact CG2-OH 3.44Å; T65-Y430 PolarHBondContact OG1-OH 3.05Å
66D79.9Confident78.5Confident3 Ų352 Ų522%0.01628%0.278CS..  trans-70.1173.7171.877.72.6000112.4R68 G69 E70 L85 Q108D66-R68 PolarHBondContact O-N 2.83Å; D66-R68 VanDerWaalsContact OD1-CA 3.31Å; D66-R68 WeakPolarHBondContact OD1-CA 3.49Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 PolarHBondContact OD1-N 2.94Å; D66-R68 IonicContact OD2-CZ 2.65Å; D66-R68 IonicContact OD2-NE 2.64Å; D66-R68 PolarHBondContact OD2-NE 3.45Å; D66-R68 IonicContact OD2-NH2 3.8Å; D66-R68 PolarHBondContact OD2-NH2 3.3Å; D66-G69 PolarHBondContact O-N 3.07Å; D66-G69 PolarHBondContact OD1-N 3.38Å; D66-E70 PolarHBondContact N-O 3.22Å; D66-E70 WeakPolarHBondContact OD1-CB 3.41Å; D66-E70 PolarHBondContact OD1-N 3.04Å; D66-L85 HydrophobicContact CB-CD1 4.3Å; D66-Q108 WeakPolarHBondContact CB-O 3.22Å
67S75.2Confident78.4Confident30 Ų3053 Ų5321%0.2128%0.283CS..THydrogen-bonded Turntrans-64.8-2.7176.9-73.60000114.4Q108 F427S67-Q108 PolarHBondContact N-O 2.98Å; S67-Q108 PolarHBondContact OG-N 3.4Å; S67-Q108 PolarHBondContact OG-O 2.69Å; S67-F427 WeakPolarHBondContact O-CB 3.22Å
68R73.1Confident78.4Confident117 Ų11760.4 Ų60.444%0.44231%0.314SS..THydrogen-bonded Turntrans-104.6-0.9172.3-62.9175.1-61.1169.413.3111.9D66 Y391D66-R68 PolarHBondContact O-N 2.83Å; D66-R68 VanDerWaalsContact OD1-CA 3.31Å; D66-R68 WeakPolarHBondContact OD1-CA 3.49Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 PolarHBondContact OD1-N 2.94Å; D66-R68 IonicContact OD2-CZ 2.65Å; D66-R68 IonicContact OD2-NE 2.64Å; D66-R68 PolarHBondContact OD2-NE 3.45Å; D66-R68 IonicContact OD2-NH2 3.8Å; D66-R68 PolarHBondContact OD2-NH2 3.3Å; R68-Y391 VanDerWaalsContact C-OH 3.31Å; R68-Y391 PolarHBondContact O-OH 2.84Å
69G73.3Confident78.6Confident24 Ų2458.7 Ų58.725%0.24730%0.302CS..SBendtrans88.38.9179.600000114.1D66D66-G69 PolarHBondContact O-N 3.07Å; D66-G69 PolarHBondContact OD1-N 3.38Å
70E79.4Confident79Confident61 Ų6157.2 Ų57.229%0.28530%0.3SS..PPolyproline II helixtrans-88134.5-177-63.1-78.2-17600111.3T65 D66T65-E70 CarbonylContact C-O 3.35Å; T65-E70 VanDerWaalsContact CA-O 3.3Å; T65-E70 WeakPolarHBondContact CA-O 3.39Å; D66-E70 PolarHBondContact N-O 3.22Å; D66-E70 WeakPolarHBondContact OD1-CB 3.41Å; D66-E70 PolarHBondContact OD1-N 3.04Å
71F83.8Confident79.7Confident27 Ų2760.1 Ų60.112%0.11832%0.318CS..BIsolated β-bridgetrans-72.1129.6179.3-67.3-66.7000112.7R59 K60 T65 Q74 T77 N79R59-F71 HydrophobicContact CB-CE1 4.49Å; R59-F71 HydrophobicContact CB-CZ 4.27Å; K60-F71 HydrophobicContact CG-CE1 3.96Å; K60-F71 HydrophobicContact CG-CZ 3.91Å; T65-F71 HydrophobicContact CG2-CD1 3.47Å; T65-F71 VanDerWaalsContact CG2-CD1 3.47Å; T65-F71 HydrophobicContact CG2-CE1 3.51Å; T65-F71 HydrophobicContact CG2-CG 4.32Å; T65-F71 HydrophobicContact CG2-CZ 4.41Å; F71-Q74 HydrophobicContact CB-CB 3.95Å; F71-Q74 VanDerWaalsContact CG-OE1 3.24Å; F71-T77 PolarHBondContact O-OG1 2.91Å; F71-N79 WeakPolarHBondContact O-CB 3.33Å
72C84.6Confident80.5Confident0 Ų059 Ų590%031%0.306CS..THydrogen-bonded Turntrans-81.6121.6175.1-54.40000111.6Y63 P64 K82 C110Y63-C72 WeakPolarHBondContact CD1-O 3.31Å; P64-C72 HydrophobicContact CG-CB 4.19Å; P64-C72 PolarHBondContact O-N 2.99Å; C72-K82 CarbonylContact C-O 3.55Å; C72-K82 WeakPolarHBondContact CA-O 3.42Å; C72-K82 VanDerWaalsContact CB-O 3.29Å; C72-K82 WeakPolarHBondContact CB-O 3.31Å; C72-C110 WeakPolarHBondContact CA-SG 3.44Å; C72-C110 HydrophobicContact CB-CB 3.76Å; C72-C110 WeakPolarHBondContact CB-SG 3.43Å; C72-C110 VanDerWaalsContact SG-CA 3.55Å; C72-C110 WeakPolarHBondContact SG-CB 3.05Å; C72-C110 CovalentContact SG-SG 2.03Å; C72-C110 PolarHBondContact SG-SG 2.82Å
73G83.4Confident81.2Confident14 Ų1455.8 Ų55.814%0.14429%0.291CS..THydrogen-bonded Turntrans79.515.117300000115.9Y63 N79 E80 K82Y63-G73 WeakPolarHBondContact CE1-O 3.41Å; G73-N79 WeakPolarHBondContact CA-O 3.43Å; G73-N79 PolarHBondContact N-O 3.28Å; G73-E80 WeakPolarHBondContact CA-O 3.49Å; G73-K82 PolarHBondContact N-O 3.16Å; G73-K82 VanDerWaalsContact N-O 3.09Å
74Q84.4Confident81.7Confident26 Ų2656.6 Ų56.612%0.12130%0.295CS..  trans-85.2133174.2-178.6178.2-18.300110Y63 F71 G76 T77 E80Y63-Q74 HydrophobicContact CD1-CB 4Å; Y63-Q74 HydrophobicContact CE1-CB 3.98Å; Y63-Q74 HydrophobicContact CG-CB 4.45Å; F71-Q74 HydrophobicContact CB-CB 3.95Å; F71-Q74 VanDerWaalsContact CG-OE1 3.24Å; Q74-G76 PolarHBondContact O-N 2.66Å; Q74-T77 HydrophobicContact CB-CG2 3.93Å; Q74-T77 HydrophobicContact CG-CG2 3.96Å; Q74-T77 PolarHBondContact O-N 2.52Å; Q74-T77 PolarHBondContact O-OG1 3.02Å; Q74-T77 VanDerWaalsContact O-OG1 3.06Å; Q74-E80 WeakPolarHBondContact O-CA 3.4Å; Q74-E80 WeakPolarHBondContact O-CB 3.13Å
75K82.2Confident82.1Confident175 Ų17556.3 Ų56.376%0.76129%0.293SS*.THydrogen-bonded Turntrans-62.5133.3176.6-65.3-170.1171.8-174.90111.1E80K75-E80 WeakPolarHBondContact CG-OE1 3.48Å
76G79.7Confident82.5Confident73 Ų7355.8 Ų55.875%0.75329%0.289SS*.THydrogen-bonded Turntrans81.78.218000000115.7Q74 E80Q74-G76 PolarHBondContact O-N 2.66Å; G76-E80 PolarHBondContact N-OE2 3.46Å
77T82.1Confident82.6Confident33 Ų3356.9 Ų56.920%0.20229%0.293CS..SBendtrans-105165170.971.80000111.4F71 Q74 N79 E80F71-T77 PolarHBondContact O-OG1 2.91Å; Q74-T77 HydrophobicContact CB-CG2 3.93Å; Q74-T77 HydrophobicContact CG-CG2 3.96Å; Q74-T77 PolarHBondContact O-N 2.52Å; Q74-T77 PolarHBondContact O-OG1 3.02Å; Q74-T77 VanDerWaalsContact O-OG1 3.06Å; T77-N79 PolarHBondContact O-N 2.89Å; T77-E80 WeakPolarHBondContact O-CB 3.38Å; T77-E80 PolarHBondContact O-N 3.48Å; T77-E80 VanDerWaalsContact O-N 3.13Å
78K81.8Confident82.9Confident183 Ų18356.2 Ų56.280%0.79629%0.286SS*.THydrogen-bonded Turntrans-56.5-25.1177.9-68.1175.8-175.9161.90113.4
79N84.6Confident83Confident8 Ų853.4 Ų53.44%0.04328%0.28CS..THydrogen-bonded Turntrans-107.325.3-177-68-35.9000112.6F71 G73 T77 N81 K82 C110F71-N79 WeakPolarHBondContact O-CB 3.33Å; G73-N79 WeakPolarHBondContact CA-O 3.43Å; G73-N79 PolarHBondContact N-O 3.28Å; T77-N79 PolarHBondContact O-N 2.89Å; N79-N81 VanDerWaalsContact C-N 3.31Å; N79-N81 PolarHBondContact O-N 2.76Å; N79-K82 HydrophobicContact CB-CB 4.29Å; N79-K82 CarbonylContact O-C 3.21Å; N79-K82 PolarHBondContact O-N 3.31Å; N79-C110 HydrophobicContact CB-CB 3.93Å; N79-C110 PolarHBondContact ND2-SG 2.9Å
80E85.9Confident82.8Confident83 Ų8353.8 Ų53.839%0.38828%0.276SS..THydrogen-bonded Turntrans-53.5-45.2179.1176.1165.4-17200112.8G73 Q74 K75 G76 T77 K82G73-E80 WeakPolarHBondContact CA-O 3.49Å; Q74-E80 WeakPolarHBondContact O-CA 3.4Å; Q74-E80 WeakPolarHBondContact O-CB 3.13Å; K75-E80 WeakPolarHBondContact CG-OE1 3.48Å; G76-E80 PolarHBondContact N-OE2 3.46Å; T77-E80 WeakPolarHBondContact O-CB 3.38Å; T77-E80 PolarHBondContact O-N 3.48Å; T77-E80 VanDerWaalsContact O-N 3.13Å; E80-K82 PolarHBondContact O-N 2.84Å
81N87.4Confident82.2Confident126 Ų12652.7 Ų52.767%0.67427%0.273SS*.THydrogen-bonded Turntrans-81.93.3179.6-62.6-26.5000113.4N79 P83N79-N81 VanDerWaalsContact C-N 3.31Å; N79-N81 PolarHBondContact O-N 2.76Å; N81-P83 VanDerWaalsContact O-CD 3.32Å; N81-P83 WeakPolarHBondContact O-CD 3.29Å
82K89.4Confident81.3Confident73 Ų7357.3 Ų57.332%0.31729%0.294SS..  trans-120.878.7-175.8-63-169.6-178.9-172.70110.5C72 G73 N79 E80 Y84 C110 V111C72-K82 CarbonylContact C-O 3.55Å; C72-K82 WeakPolarHBondContact CA-O 3.42Å; C72-K82 VanDerWaalsContact CB-O 3.29Å; C72-K82 WeakPolarHBondContact CB-O 3.31Å; G73-K82 PolarHBondContact N-O 3.16Å; G73-K82 VanDerWaalsContact N-O 3.09Å; N79-K82 HydrophobicContact CB-CB 4.29Å; N79-K82 CarbonylContact O-C 3.21Å; N79-K82 PolarHBondContact O-N 3.31Å; E80-K82 PolarHBondContact O-N 2.84Å; K82-Y84 VanDerWaalsContact C-N 3.34Å; K82-Y84 PolarHBondContact O-N 2.62Å; K82-C110 HydrophobicContact CB-CB 3.81Å; K82-C110 VanDerWaalsContact CD-O 3.31Å; K82-C110 WeakPolarHBondContact CD-O 3.43Å; K82-V111 CarbonylContact C-O 3.57Å; K82-V111 WeakPolarHBondContact CA-O 3.48Å
83P86.8Confident80.2Confident36 Ų3658.5 Ų58.523%0.23430%0.302CS..  trans-81.6-6.1-169.733.4-36.7000114.9N81 R168N81-P83 VanDerWaalsContact O-CD 3.32Å; N81-P83 WeakPolarHBondContact O-CD 3.29Å; P83-R168 VanDerWaalsContact O-CB 3.26Å; P83-R168 WeakPolarHBondContact O-CB 3.21Å; P83-R168 WeakPolarHBondContact O-CG 3.43Å
84Y86.3Confident78.8Confident70 Ų7060 Ų6028%0.27531%0.312SS..EExtended strand (participates in β ladder)trans-112.9135.8-175.2-54-66.2000112.3K82 C110 V111 E112 P165 R168K82-Y84 VanDerWaalsContact C-N 3.34Å; K82-Y84 PolarHBondContact O-N 2.62Å; Y84-C110 CarbonylContact O-C 3.54Å; Y84-C110 VanDerWaalsContact O-CA 3.31Å; Y84-C110 WeakPolarHBondContact O-CA 3.46Å; Y84-V111 PolarHBondContact N-O 3.41Å; Y84-V111 VanDerWaalsContact N-O 3.11Å; Y84-V111 PolarHBondContact O-N 3.24Å; Y84-E112 WeakPolarHBondContact CD2-O 3.3Å; Y84-E112 VanDerWaalsContact CE2-O 3.23Å; Y84-E112 WeakPolarHBondContact CE2-O 3.46Å; Y84-P165 HydrophobicContact CD1-CB 3.48Å; Y84-P165 VanDerWaalsContact CD1-CB 3.48Å; Y84-P165 HydrophobicContact CE1-CB 3.24Å; Y84-P165 HydrophobicContact CE1-CG 4.11Å; Y84-P165 HydrophobicContact CE2-CB 4.45Å; Y84-P165 HydrophobicContact CG-CB 4.22Å; Y84-R168 CarbonylContact C-O 3.54Å; Y84-R168 WeakPolarHBondContact CA-O 3.46Å
85L84.3Confident77.1Confident0 Ų061.2 Ų61.20%032%0.324CS..EExtended strand (participates in β ladder)trans-89.3123.7172.3-170.177.3000110.6P64 T65 D66 Q108 I109 R168 R169 C170P64-L85 HydrophobicContact CB-CB 3.89Å; P64-L85 HydrophobicContact CB-CD2 3.96Å; P64-L85 HydrophobicContact CB-CG 4.38Å; P64-L85 HydrophobicContact CG-CB 4.04Å; T65-L85 WeakPolarHBondContact O-CD1 3.38Å; D66-L85 HydrophobicContact CB-CD1 4.3Å; L85-Q108 HydrophobicContact CD1-CB 4.04Å; L85-Q108 HydrophobicContact CD2-CB 4.48Å; L85-Q108 HydrophobicContact CG-CB 4.32Å; L85-I109 CarbonylContact C-O 3.19Å; L85-I109 WeakPolarHBondContact CA-O 3.39Å; L85-R168 PolarHBondContact N-O 3.47Å; L85-R169 HydrophobicContact CB-CG 4.13Å; L85-R169 HydrophobicContact CD2-CG 4.43Å; L85-R169 CarbonylContact O-C 3.57Å; L85-R169 VanDerWaalsContact O-CA 3.31Å; L85-R169 WeakPolarHBondContact O-CA 3.4Å; L85-C170 PolarHBondContact O-N 3.03Å
86F85.8Confident75Confident10 Ų1058 Ų584%0.04432%0.321CS..EExtended strand (participates in β ladder)trans-107.3139.6177.5174.8-107.2000111.1F88 Q108 I109 V111 P115 F136 P157 L160 C170F86-F88 HydrophobicContact CD1-CD1 4.14Å; F86-F88 HydrophobicContact CD1-CE1 4.38Å; F86-F88 AromaticContact CE1-CD1 4Å; F86-F88 HydrophobicContact CE1-CD1 4Å; F86-F88 HydrophobicContact CE1-CE1 4.41Å; F86-Q108 VanDerWaalsContact O-CA 3.25Å; F86-Q108 WeakPolarHBondContact O-CA 3.46Å; F86-I109 HydrophobicContact CB-CG1 4.2Å; F86-I109 HydrophobicContact CD1-CD1 4.27Å; F86-I109 HydrophobicContact CD1-CG1 4.04Å; F86-I109 PolarHBondContact N-O 3.41Å; F86-I109 PolarHBondContact O-N 2.93Å; F86-V111 HydrophobicContact CB-CG1 3.87Å; F86-V111 HydrophobicContact CB-CG2 3.93Å; F86-P115 HydrophobicContact CD2-CG 4.21Å; F86-P115 HydrophobicContact CE2-CG 3.8Å; F86-F136 HydrophobicContact CD1-CB 4.39Å; F86-F136 HydrophobicContact CD1-CD1 4.2Å; F86-F136 HydrophobicContact CE1-CB 4.12Å; F86-F136 HydrophobicContact CE1-CD1 4.36Å; F86-F136 HydrophobicContact CG-CD1 4.28Å; F86-P157 HydrophobicContact CE1-CB 4.26Å; F86-P157 HydrophobicContact CE1-CG 4.08Å; F86-P157 HydrophobicContact CZ-CG 4.5Å; F86-L160 HydrophobicContact CE1-CD2 4.15Å; F86-L160 HydrophobicContact CZ-CD2 3.69Å; F86-C170 HydrophobicContact CD2-CB 4.11Å
87Y82.2Confident72.9Confident25 Ų2560.2 Ų60.210%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-104.7131178-61.7-91.7000109.9N89 I90 C104 T106 Q108 R169Y87-N89 VanDerWaalsContact C-N 3.3Å; Y87-N89 PolarHBondContact O-N 2.97Å; Y87-I90 HydrophobicContact CD2-CD1 4.37Å; Y87-I90 HydrophobicContact CD2-CG1 4.48Å; Y87-C104 HydrophobicContact CE1-CB 4.36Å; Y87-T106 HydrophobicContact CD1-CG2 3.89Å; Y87-Q108 HydrophobicContact CD1-CG 3.52Å; Y87-Q108 HydrophobicContact CE1-CG 3.78Å; Y87-Q108 VanDerWaalsContact CE1-OE1 3.28Å; Y87-Q108 HydrophobicContact CG-CG 4.37Å; Y87-R169 HydrophobicContact CE2-CB 4.34Å; Y87-R169 PolarHBondContact OH-NH1 3.19Å
88F81.4Confident70.9Confident16 Ų1659.6 Ų59.67%0.0731%0.311CS..SBendtrans-65.7-35.7179-83.130.6000112.2F86 P107 I109 F136 V138 G154 P157F86-F88 HydrophobicContact CD1-CD1 4.14Å; F86-F88 HydrophobicContact CD1-CE1 4.38Å; F86-F88 AromaticContact CE1-CD1 4Å; F86-F88 HydrophobicContact CE1-CD1 4Å; F86-F88 HydrophobicContact CE1-CE1 4.41Å; F88-P107 HydrophobicContact CB-CB 4.36Å; F88-P107 HydrophobicContact CD1-CB 4.22Å; F88-P107 WeakPolarHBondContact CD1-O 3.44Å; F88-P107 HydrophobicContact CD2-CB 3.8Å; F88-P107 HydrophobicContact CD2-CG 4.04Å; F88-P107 HydrophobicContact CE2-CB 4.11Å; F88-P107 HydrophobicContact CG-CB 3.87Å; F88-P107 HydrophobicContact CG-CG 4.39Å; F88-P107 HydrophobicContact CZ-CB 4.45Å; F88-P107 PolarHBondContact N-O 2.95Å; F88-I109 HydrophobicContact CE1-CD1 3.93Å; F88-I109 HydrophobicContact CE1-CG1 3.94Å; F88-I109 HydrophobicContact CE1-CG2 3.91Å; F88-I109 HydrophobicContact CZ-CG2 4.34Å; F88-F136 VanDerWaalsContact CE1-O 3.3Å; F88-F136 WeakPolarHBondContact CE1-O 3.41Å; F88-V138 HydrophobicContact CE2-CG1 4.41Å; F88-V138 HydrophobicContact CZ-CG1 4.04Å; F88-G154 WeakPolarHBondContact CE2-O 3.48Å; F88-P157 HydrophobicContact CB-CB 4.3Å; F88-P157 HydrophobicContact CD1-CB 4.44Å; F88-P157 HydrophobicContact CD2-CB 4.3Å; F88-P157 HydrophobicContact CG-CB 4.11Å
89N74Confident68.6Low59 Ų5956 Ų5632%0.31630%0.3SS..  trans-144.999171.8-172.1-30.1000110.5Y87 V91 K92 T106Y87-N89 VanDerWaalsContact C-N 3.3Å; Y87-N89 PolarHBondContact O-N 2.97Å; N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.34Å; N89-V91 WeakPolarHBondContact OD1-CB 3.47Å; N89-V91 PolarHBondContact OD1-N 2.82Å; N89-K92 HydrophobicContact CB-CD 4.43Å; N89-K92 HydrophobicContact CB-CG 4.35Å; N89-K92 PolarHBondContact O-N 3.36Å; N89-K92 PolarHBondContact OD1-N 3.05Å; N89-T106 PolarHBondContact N-OG1 3.49Å
90I69.7Low66Low32 Ų3261 Ų6116%0.16433%0.326CS..G310 helixtrans-70.2-19.5180-158.8171.2000113.3Y87 K92 C93 F171 P172 L202Y87-I90 HydrophobicContact CD2-CD1 4.37Å; Y87-I90 HydrophobicContact CD2-CG1 4.48Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-C93 VanDerWaalsContact O-CB 3.25Å; I90-C93 WeakPolarHBondContact O-CB 3.29Å; I90-C93 PolarHBondContact O-N 3.39Å; I90-F171 HydrophobicContact CD1-CD1 3.63Å; I90-F171 HydrophobicContact CD1-CE1 4.02Å; I90-F171 HydrophobicContact CD1-CG 4.42Å; I90-P172 HydrophobicContact CD1-CG 4.37Å; I90-P172 HydrophobicContact CG2-CG 3.76Å; I90-L202 HydrophobicContact CG2-CD1 4.03Å
91V66.4Low63.6Low37 Ų3762 Ų6222%0.22433%0.331CS..G310 helixtrans-70.6-34179.2-174.10000110.9N89 C93 A94 L202N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.34Å; N89-V91 WeakPolarHBondContact OD1-CB 3.47Å; N89-V91 PolarHBondContact OD1-N 2.82Å; V91-C93 PolarHBondContact O-N 3.06Å; V91-C93 VanDerWaalsContact O-N 3.13Å; V91-A94 WeakPolarHBondContact O-CB 3.42Å; V91-A94 PolarHBondContact O-N 3.47Å; V91-L202 HydrophobicContact CG2-CB 4.49Å; V91-L202 HydrophobicContact CG2-CD1 3.35Å
92K64.8Low61.6Low125 Ų12565.6 Ų65.654%0.54334%0.341SS..G310 helixtrans-63-17.7173.7-71.2-171.5175.8-174.80113.1N89 I90 A94 P105N89-K92 HydrophobicContact CB-CD 4.43Å; N89-K92 HydrophobicContact CB-CG 4.35Å; N89-K92 PolarHBondContact O-N 3.36Å; N89-K92 PolarHBondContact OD1-N 3.05Å; I90-K92 VanDerWaalsContact C-N 3.34Å; K92-A94 VanDerWaalsContact C-N 3.35Å; K92-P105 HydrophobicContact CB-CG 4.39Å
93C60.8Low59.8Low25 Ų2564.6 Ų64.617%0.16934%0.337CS..G310 helixtrans-83.3-5.9175.1-650000114.3I90 V91 V98 C104I90-C93 VanDerWaalsContact O-CB 3.25Å; I90-C93 WeakPolarHBondContact O-CB 3.29Å; I90-C93 PolarHBondContact O-N 3.39Å; V91-C93 PolarHBondContact O-N 3.06Å; V91-C93 VanDerWaalsContact O-N 3.13Å; C93-V98 WeakPolarHBondContact O-CG1 3.49Å; C93-C104 HydrophobicContact CB-CB 4.23Å; C93-C104 WeakPolarHBondContact CB-SG 3.27Å; C93-C104 WeakPolarHBondContact SG-CB 3.09Å; C93-C104 CovalentContact SG-SG 2.03Å; C93-C104 PolarHBondContact SG-SG 3.5Å
94A54Low58.5Low44 Ų4464.6 Ų64.636%0.36434%0.338SS..  trans-88-4-170.500000114.8V91 K92V91-A94 WeakPolarHBondContact O-CB 3.42Å; V91-A94 PolarHBondContact O-N 3.47Å; K92-A94 VanDerWaalsContact C-N 3.35Å
95S50.4Low57.4Low52 Ų5265.5 Ų65.536%0.36435%0.352SS..SBendtrans-74.6145.7-175.677.70000112.2L97 V98S95-L97 PolarHBondContact O-N 3.45Å; S95-L97 VanDerWaalsContact O-N 3.13Å; S95-V98 WeakPolarHBondContact O-CB 3.42Å; S95-V98 PolarHBondContact O-N 3.34Å; S95-V98 VanDerWaalsContact O-N 3.11Å; S95-V98 WeakPolarHBondContact OG-CG2 3.24Å
96P36.7Very low56.7Low108 Ų10866 Ų6670%0.70136%0.355SS*.THydrogen-bonded Turntrans-58.9-25.6179.4-24.133000114.4
97L36.3Very low56.3Low119 Ų11967 Ų6762%0.62336%0.363SS*.THydrogen-bonded Turntrans-68.9-37.1177.7-132.380.4000111.9S95 L99 L100 E101S95-L97 PolarHBondContact O-N 3.45Å; S95-L97 VanDerWaalsContact O-N 3.13Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 2.92Å; L97-L100 WeakPolarHBondContact O-CB 3.36Å; L97-L100 PolarHBondContact O-N 3.19Å; L97-L100 VanDerWaalsContact O-N 3.11Å; L97-E101 PolarHBondContact O-N 2.69Å
98V40.9Very low56.3Low20 Ų2067 Ų6712%0.12136%0.363CS..Hα-helixtrans-65.2-29.7179.1162.40000112.3C93 S95 F102 Q103C93-V98 WeakPolarHBondContact O-CG1 3.49Å; S95-V98 WeakPolarHBondContact O-CB 3.42Å; S95-V98 PolarHBondContact O-N 3.34Å; S95-V98 VanDerWaalsContact O-N 3.11Å; S95-V98 WeakPolarHBondContact OG-CG2 3.24Å; V98-F102 WeakPolarHBondContact O-CA 3.43Å; V98-F102 PolarHBondContact O-N 3.01Å; V98-Q103 WeakPolarHBondContact CB-O 3.42Å; V98-Q103 WeakPolarHBondContact CG1-O 3.22Å; V98-Q103 WeakPolarHBondContact CG2-O 3.37Å; V98-Q103 PolarHBondContact O-N 3.32Å
99L32.7Very low56.6Low109 Ų10966.6 Ų66.657%0.57136%0.362SS*.Hα-helixtrans-73.9-21.7174.6-85.3163.4000114L97L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 2.92Å
100L30.6Very low57.3Low111 Ų11164 Ų6458%0.58135%0.348SS*.Hα-helixtrans-82.5-28.7175.1-84.2151.4000111.9L97L97-L100 WeakPolarHBondContact O-CB 3.36Å; L97-L100 PolarHBondContact O-N 3.19Å; L97-L100 VanDerWaalsContact O-N 3.11Å
101E35.9Very low58.3Low106 Ų10662.7 Ų62.750%0.49534%0.342SS..Hα-helixtrans-104.1-10.5-174.3-74.6-175.2165.300114.3L97 Q103L97-E101 PolarHBondContact O-N 2.69Å; E101-Q103 HydrophobicContact CB-CB 3.97Å; E101-Q103 HydrophobicContact CB-CG 3.97Å; E101-Q103 WeakPolarHBondContact O-CG 3.18Å; E101-Q103 PolarHBondContact O-N 3.44Å; E101-Q103 PolarHBondContact O-NE2 2.99Å; E101-Q103 PolarHBondContact OE2-OE1 2.93Å
102F43.8Very low59.5Low201 Ų20167.4 Ų67.488%0.88236%0.361SS*.THydrogen-bonded Turntrans55.433.8-168.7-65.5-85.3000113V98V98-F102 WeakPolarHBondContact O-CA 3.43Å; V98-F102 PolarHBondContact O-N 3.01Å
103Q52.5Low60.6Low52 Ų5268.1 Ų68.124%0.24337%0.365CS..  trans-122.3113.6-167.7-77.9169.442.300112.2V98 E101 P105 F429V98-Q103 WeakPolarHBondContact CB-O 3.42Å; V98-Q103 WeakPolarHBondContact CG1-O 3.22Å; V98-Q103 WeakPolarHBondContact CG2-O 3.37Å; V98-Q103 PolarHBondContact O-N 3.32Å; E101-Q103 HydrophobicContact CB-CB 3.97Å; E101-Q103 HydrophobicContact CB-CG 3.97Å; E101-Q103 WeakPolarHBondContact O-CG 3.18Å; E101-Q103 PolarHBondContact O-N 3.44Å; E101-Q103 PolarHBondContact O-NE2 2.99Å; E101-Q103 PolarHBondContact OE2-OE1 2.93Å; Q103-P105 WeakPolarHBondContact O-CD 3.43Å; Q103-F429 HydrophobicContact CG-CB 3.79Å; Q103-F429 VanDerWaalsContact NE2-CB 3.33Å
104C59.1Low61.9Low36 Ų3667.2 Ų67.224%0.24336%0.359CS..  trans-93115.3169.1-88.10000110.1Y87 C93 T106Y87-C104 HydrophobicContact CE1-CB 4.36Å; C93-C104 HydrophobicContact CB-CB 4.23Å; C93-C104 WeakPolarHBondContact CB-SG 3.27Å; C93-C104 WeakPolarHBondContact SG-CB 3.09Å; C93-C104 CovalentContact SG-SG 2.03Å; C93-C104 PolarHBondContact SG-SG 3.5Å; C104-T106 HydrophobicContact CB-CG2 4.27Å; C104-T106 PolarHBondContact O-N 3.47Å
105P62.9Low63.6Low88 Ų8865.1 Ų65.157%0.57134%0.341SS*.  trans-79.657.7178.834.2-35.9000111K92 Q103K92-P105 HydrophobicContact CB-CG 4.39Å; Q103-P105 WeakPolarHBondContact O-CD 3.43Å
106T70.6Confident65.2Low11 Ų1166.5 Ų66.57%0.06735%0.345CS..SBendtrans-144.8142.8177.4-166.50000110.7Y87 N89 C104 Q108Y87-T106 HydrophobicContact CD1-CG2 3.89Å; N89-T106 PolarHBondContact N-OG1 3.49Å; C104-T106 HydrophobicContact CB-CG2 4.27Å; C104-T106 PolarHBondContact O-N 3.47Å; T106-Q108 HydrophobicContact CG2-CG 4.48Å; T106-Q108 PolarHBondContact O-N 3.44Å
107P76.7Confident67.5Low32 Ų3266.9 Ų66.921%0.20833%0.332CS..  trans-56.3137.5170-24.633.9000111.6F88F88-P107 HydrophobicContact CB-CB 4.36Å; F88-P107 HydrophobicContact CD1-CB 4.22Å; F88-P107 WeakPolarHBondContact CD1-O 3.44Å; F88-P107 HydrophobicContact CD2-CB 3.8Å; F88-P107 HydrophobicContact CD2-CG 4.04Å; F88-P107 HydrophobicContact CE2-CB 4.11Å; F88-P107 HydrophobicContact CG-CB 3.87Å; F88-P107 HydrophobicContact CG-CG 4.39Å; F88-P107 HydrophobicContact CZ-CB 4.45Å; F88-P107 PolarHBondContact N-O 2.95Å
108Q82.6Confident69.7Low23 Ų2365.2 Ų65.211%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-127133.3-178.3-68.116572.400108.8D66 S67 L85 F86 Y87 T106D66-Q108 WeakPolarHBondContact CB-O 3.22Å; S67-Q108 PolarHBondContact N-O 2.98Å; S67-Q108 PolarHBondContact OG-N 3.4Å; S67-Q108 PolarHBondContact OG-O 2.69Å; L85-Q108 HydrophobicContact CD1-CB 4.04Å; L85-Q108 HydrophobicContact CD2-CB 4.48Å; L85-Q108 HydrophobicContact CG-CB 4.32Å; F86-Q108 VanDerWaalsContact O-CA 3.25Å; F86-Q108 WeakPolarHBondContact O-CA 3.46Å; Y87-Q108 HydrophobicContact CD1-CG 3.52Å; Y87-Q108 HydrophobicContact CE1-CG 3.78Å; Y87-Q108 VanDerWaalsContact CE1-OE1 3.28Å; Y87-Q108 HydrophobicContact CG-CG 4.37Å; T106-Q108 HydrophobicContact CG2-CG 4.48Å; T106-Q108 PolarHBondContact O-N 3.44Å
109I87.7Confident71.8Confident8 Ų865 Ų654%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-133.2152.9-179.263.1165.6000111.2L85 F86 F88 V111 F136L85-I109 CarbonylContact C-O 3.19Å; L85-I109 WeakPolarHBondContact CA-O 3.39Å; F86-I109 HydrophobicContact CB-CG1 4.2Å; F86-I109 HydrophobicContact CD1-CD1 4.27Å; F86-I109 HydrophobicContact CD1-CG1 4.04Å; F86-I109 PolarHBondContact N-O 3.41Å; F86-I109 PolarHBondContact O-N 2.93Å; F88-I109 HydrophobicContact CE1-CD1 3.93Å; F88-I109 HydrophobicContact CE1-CG1 3.94Å; F88-I109 HydrophobicContact CE1-CG2 3.91Å; F88-I109 HydrophobicContact CZ-CG2 4.34Å; I109-V111 HydrophobicContact CD1-CG1 3.83Å; I109-V111 HydrophobicContact CG1-CG1 3.99Å; I109-F136 WeakPolarHBondContact CD1-O 3.14Å
110C89.3Confident74.2Confident5 Ų560.1 Ų60.13%0.03429%0.291CS..EExtended strand (participates in β ladder)trans-81134.5169-54.70000110.3C72 N79 K82 Y84C72-C110 WeakPolarHBondContact CA-SG 3.44Å; C72-C110 HydrophobicContact CB-CB 3.76Å; C72-C110 WeakPolarHBondContact CB-SG 3.43Å; C72-C110 VanDerWaalsContact SG-CA 3.55Å; C72-C110 WeakPolarHBondContact SG-CB 3.05Å; C72-C110 CovalentContact SG-SG 2.03Å; C72-C110 PolarHBondContact SG-SG 2.82Å; N79-C110 HydrophobicContact CB-CB 3.93Å; N79-C110 PolarHBondContact ND2-SG 2.9Å; K82-C110 HydrophobicContact CB-CB 3.81Å; K82-C110 VanDerWaalsContact CD-O 3.31Å; K82-C110 WeakPolarHBondContact CD-O 3.43Å; Y84-C110 CarbonylContact O-C 3.54Å; Y84-C110 VanDerWaalsContact O-CA 3.31Å; Y84-C110 WeakPolarHBondContact O-CA 3.46Å
111V90.4Very high76.6Confident5 Ų555 Ų553%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-129.9152.8178-59.70000111K82 Y84 F86 I109 K113 F136K82-V111 CarbonylContact C-O 3.57Å; K82-V111 WeakPolarHBondContact CA-O 3.48Å; Y84-V111 PolarHBondContact N-O 3.41Å; Y84-V111 VanDerWaalsContact N-O 3.11Å; Y84-V111 PolarHBondContact O-N 3.24Å; F86-V111 HydrophobicContact CB-CG1 3.87Å; F86-V111 HydrophobicContact CB-CG2 3.93Å; I109-V111 HydrophobicContact CD1-CG1 3.83Å; I109-V111 HydrophobicContact CG1-CG1 3.99Å; V111-K113 WeakPolarHBondContact CG2-O 3.48Å; V111-F136 HydrophobicContact CB-CE1 4.43Å; V111-F136 HydrophobicContact CG1-CD1 3.92Å; V111-F136 HydrophobicContact CG1-CE1 4.23Å
112E89.9Confident78.7Confident135 Ų13554.4 Ų54.463%0.63126%0.264SS*.SBendtrans-74.5-38.9177.6-177.2173.6178.600111.8Y84Y84-E112 WeakPolarHBondContact CD2-O 3.3Å; Y84-E112 VanDerWaalsContact CE2-O 3.23Å; Y84-E112 WeakPolarHBondContact CE2-O 3.46Å
113K89.8Confident80.5Confident140 Ų14049.4 Ų49.461%0.60925%0.246SC*.SBendtrans-139141.9178.8-165.6178.6177.9-173.20109.8V111 F136V111-K113 WeakPolarHBondContact CG2-O 3.48Å; K113-F136 WeakPolarHBondContact O-CE1 3.02Å
114C87.8Confident81.9Confident7 Ų747 Ų475%0.04724%0.235CC..  trans-67.2149.6172.5-64.40000110.8D116 C170C114-D116 PolarHBondContact O-N 3.27Å; C114-C170 WeakPolarHBondContact CA-SG 3.35Å; C114-C170 HydrophobicContact CB-CB 3.84Å; C114-C170 WeakPolarHBondContact CB-SG 3.48Å; C114-C170 WeakPolarHBondContact SG-CA 3.38Å; C114-C170 WeakPolarHBondContact SG-CB 3.46Å; C114-C170 CovalentContact SG-SG 2.05Å; C114-C170 PolarHBondContact SG-SG 3.4Å
115P88.9Confident82.9Confident0 Ų048.8 Ų48.80%024%0.236CC..  trans-60.5134.9-18024.1-32.9000110.7F86 Y132 F136 L160 I161 P162 S163F86-P115 HydrophobicContact CD2-CG 4.21Å; F86-P115 HydrophobicContact CE2-CG 3.8Å; P115-Y132 WeakPolarHBondContact CA-OH 3.41Å; P115-F136 HydrophobicContact CB-CE1 4.01Å; P115-F136 HydrophobicContact CB-CE2 4.39Å; P115-F136 HydrophobicContact CB-CZ 3.88Å; P115-F136 HydrophobicContact CG-CE1 4.19Å; P115-L160 HydrophobicContact CB-CB 4.37Å; P115-I161 WeakPolarHBondContact CG-O 3.48Å; P115-P162 CarbonylContact O-C 3.48Å; P115-P162 WeakPolarHBondContact O-CA 3.41Å; P115-S163 PolarHBondContact O-N 3.32Å
116D84.8Confident83.6Confident81 Ų8149.6 Ų49.643%0.43324%0.244SC..  trans-103.7-13-175.765.1-11.7000113.5C114 Y132C114-D116 PolarHBondContact O-N 3.27Å; D116-Y132 PolarHBondContact N-OH 2.98Å; D116-Y132 PolarHBondContact OD1-OH 2.99Å
117R83.6Confident84.1Confident115 Ų11551.2 Ų51.243%0.43426%0.256SS..SBendtrans-137.8157.7-174.667.7-168.569.7-167-2.4111.7L119 Y132R117-L119 HydrophobicContact CG-CD1 3.75Å; R117-L119 HydrophobicContact CG-CG 4.27Å; R117-Y132 HydrophobicContact CG-CE1 3.94Å
118Y83.7Confident84.3Confident84 Ų8461.6 Ų61.633%0.32929%0.291SS..  trans-86.1126.2177.5-178.7-90.6000110.6T120 V159 L160 E190Y118-T120 HydrophobicContact CE1-CG2 4.16Å; Y118-V159 HydrophobicContact CD2-CG2 4.07Å; Y118-V159 HydrophobicContact CE1-CG2 4.43Å; Y118-V159 HydrophobicContact CE2-CG2 3.36Å; Y118-L160 WeakPolarHBondContact CA-O 3.28Å; Y118-E190 WeakPolarHBondContact OH-CB 3Å; Y118-E190 PolarHBondContact OH-N 3.06Å; Y118-E190 PolarHBondContact OH-O 2.9Å
119L83.9Confident84.4Confident17 Ų1763.3 Ų63.39%0.08930%0.301CS..EExtended strand (participates in β ladder)trans-147.3133.3-179.6-83157.9000110.3R117 A124 D129 Y132 Y133 V159 L160R117-L119 HydrophobicContact CG-CD1 3.75Å; R117-L119 HydrophobicContact CG-CG 4.27Å; L119-A124 HydrophobicContact CD2-CB 4.41Å; L119-D129 HydrophobicContact CD1-CB 4.22Å; L119-D129 HydrophobicContact CD2-CB 3.99Å; L119-Y132 HydrophobicContact CD1-CD1 3.68Å; L119-Y132 HydrophobicContact CD1-CE1 3.81Å; L119-Y133 HydrophobicContact CB-CD2 3.99Å; L119-Y133 HydrophobicContact CB-CE2 4.06Å; L119-V159 CarbonylContact O-C 3.56Å; L119-V159 WeakPolarHBondContact O-CA 3.2Å; L119-L160 HydrophobicContact CB-CB 4.33Å; L119-L160 HydrophobicContact CB-CD1 4.42Å; L119-L160 PolarHBondContact N-O 3.16Å; L119-L160 PolarHBondContact O-N 2.9Å
120T83.6Confident84.3Confident6 Ų664.3 Ų64.34%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-92.5150.7167.560.30000110Y118 L122 N123 A124 V159Y118-T120 HydrophobicContact CE1-CG2 4.16Å; T120-L122 VanDerWaalsContact C-N 3.26Å; T120-L122 PolarHBondContact O-N 2.62Å; T120-N123 PolarHBondContact O-N 3.09Å; T120-N123 WeakPolarHBondContact OG1-CB 3.47Å; T120-N123 VanDerWaalsContact OG1-CG 3.23Å; T120-N123 PolarHBondContact OG1-N 3.05Å; T120-N123 PolarHBondContact OG1-ND2 3.06Å; T120-A124 WeakPolarHBondContact O-CB 3.44Å; T120-A124 PolarHBondContact O-N 3.1Å; T120-V159 HydrophobicContact CG2-CG2 4.28Å
121Y82.1Confident84.1Confident2 Ų270 Ų701%0.00833%0.331CS..Hα-helixtrans-58.3-39.4-179.9179.7-109.9000112.5N123 A124 R125 F130 Y133 V147 V150 L151 C156 A158Y121-N123 PolarHBondContact O-N 3.39Å; Y121-A124 PolarHBondContact O-N 3.07Å; Y121-R125 WeakPolarHBondContact O-CB 3.17Å; Y121-R125 PolarHBondContact O-N 3.38Å; Y121-F130 HydrophobicContact CE2-CE2 4.08Å; Y121-Y133 HydrophobicContact CD2-CD1 4.05Å; Y121-Y133 AromaticContact CD2-CE1 3.6Å; Y121-Y133 HydrophobicContact CD2-CE1 3.6Å; Y121-Y133 HydrophobicContact CG-CE1 4.41Å; Y121-Y133 PolarHBondContact N-OH 3.32Å; Y121-V147 HydrophobicContact CD1-CG1 3.94Å; Y121-V147 HydrophobicContact CE1-CB 4.36Å; Y121-V147 HydrophobicContact CE1-CG1 4.01Å; Y121-V147 HydrophobicContact CE1-CG2 4.19Å; Y121-V150 HydrophobicContact CE1-CB 4.12Å; Y121-V150 HydrophobicContact CE1-CG1 3.98Å; Y121-V150 HydrophobicContact CE2-CG1 4.1Å; Y121-L151 HydrophobicContact CD1-CD1 4.49Å; Y121-L151 HydrophobicContact CD1-CD2 4.13Å; Y121-L151 HydrophobicContact CD1-CG 4.24Å; Y121-L151 HydrophobicContact CG-CD2 4.24Å; Y121-C156 HydrophobicContact CD2-CB 4.15Å; Y121-C156 HydrophobicContact CE2-CB 4.16Å; Y121-A158 PolarHBondContact N-O 2.89Å
122L80.2Confident84Confident94 Ų9471.9 Ų71.949%0.49234%0.338SS..Hα-helixtrans-58.3-46.7176.6-76.2163.4000112.4T120 S126 V147T120-L122 VanDerWaalsContact C-N 3.26Å; T120-L122 PolarHBondContact O-N 2.62Å; L122-S126 PolarHBondContact O-OG 3.47Å; L122-V147 HydrophobicContact CD2-CG1 3.78Å; L122-V147 HydrophobicContact CD2-CG2 4.38Å; L122-V147 HydrophobicContact CG-CG1 4.35Å
123N80.9Confident83.9Confident97 Ų9765.4 Ų65.452%0.51931%0.308SS..Hα-helixtrans-75.5-32.5-179.2-67.5-10.6000112T120 Y121 S126 S127T120-N123 PolarHBondContact O-N 3.09Å; T120-N123 WeakPolarHBondContact OG1-CB 3.47Å; T120-N123 VanDerWaalsContact OG1-CG 3.23Å; T120-N123 PolarHBondContact OG1-N 3.05Å; T120-N123 PolarHBondContact OG1-ND2 3.06Å; Y121-N123 PolarHBondContact O-N 3.39Å; N123-S126 PolarHBondContact O-OG 2.87Å; N123-S127 VanDerWaalsContact O-CB 3.29Å; N123-S127 WeakPolarHBondContact O-CB 3.33Å; N123-S127 PolarHBondContact O-N 2.9Å; N123-S127 PolarHBondContact O-OG 3.49Å
124A81.6Confident83.8Confident0 Ų062.8 Ų62.80%030%0.296CS..Hα-helixtrans-70.1-40.5177.100000111.9L119 T120 Y121 S126 S127 F130 Y133L119-A124 HydrophobicContact CD2-CB 4.41Å; T120-A124 WeakPolarHBondContact O-CB 3.44Å; T120-A124 PolarHBondContact O-N 3.1Å; Y121-A124 PolarHBondContact O-N 3.07Å; A124-S126 VanDerWaalsContact C-N 3.27Å; A124-S126 PolarHBondContact O-N 3.03Å; A124-S127 WeakPolarHBondContact CA-OG 3.14Å; A124-S127 PolarHBondContact O-N 2.91Å; A124-S127 PolarHBondContact O-OG 2.94Å; A124-F130 WeakPolarHBondContact O-CA 3.39Å; A124-F130 VanDerWaalsContact O-CB 3.29Å; A124-F130 WeakPolarHBondContact O-CB 3.43Å; A124-F130 PolarHBondContact O-N 3.06Å; A124-Y133 HydrophobicContact CB-CD2 3.31Å; A124-Y133 HydrophobicContact CB-CE2 3.99Å; A124-Y133 HydrophobicContact CB-CG 3.62Å
125R80.4Confident83.8Confident74 Ų7467.8 Ų67.828%0.27932%0.319SS..Hα-helixtrans-63.6-30.2-178.1-171.9174.4-176.11618.8113.5Y121 F130 N143 K145 V147Y121-R125 WeakPolarHBondContact O-CB 3.17Å; Y121-R125 PolarHBondContact O-N 3.38Å; R125-F130 HydrophobicContact CB-CD2 4.28Å; R125-F130 HydrophobicContact CB-CE2 4.32Å; R125-F130 HydrophobicContact CG-CE2 4.34Å; R125-N143 PolarHBondContact NE-OD1 2.7Å; R125-N143 PolarHBondContact NH2-OD1 2.97Å; R125-K145 PolarHBondContact NH1-O 3.41Å; R125-K145 PolarHBondContact NH2-O 3.46Å; R125-V147 VanDerWaalsContact NH1-CG2 3.29Å
126S77.3Confident83.8Confident105 Ų10568 Ų6873%0.73432%0.32SS*.THydrogen-bonded Turntrans-93.9-3.6-179.456.40000114L122 N123 A124L122-S126 PolarHBondContact O-OG 3.47Å; N123-S126 PolarHBondContact O-OG 2.87Å; A124-S126 VanDerWaalsContact C-N 3.27Å; A124-S126 PolarHBondContact O-N 3.03Å
127S81.5Confident83.9Confident45 Ų4564.4 Ų64.432%0.31530%0.301SS..SBendtrans-119.6173.7-174.764.30000112.6N123 A124 D129 F130N123-S127 VanDerWaalsContact O-CB 3.29Å; N123-S127 WeakPolarHBondContact O-CB 3.33Å; N123-S127 PolarHBondContact O-N 2.9Å; N123-S127 PolarHBondContact O-OG 3.49Å; A124-S127 WeakPolarHBondContact CA-OG 3.14Å; A124-S127 PolarHBondContact O-N 2.91Å; A124-S127 PolarHBondContact O-OG 2.94Å; S127-D129 PolarHBondContact O-N 3.19Å; S127-D129 PolarHBondContact OG-N 2.7Å; S127-F130 PolarHBondContact O-N 3.22Å
128R81Confident83.9Confident250 Ų25060.9 Ų60.994%0.94329%0.292SS*.THydrogen-bonded Turntrans-69.5-10174.3-64.4-177.2-178.5-179.70.4112.8F130R128-F130 PolarHBondContact O-N 3.44Å
129D83.8Confident83.6Confident59 Ų5959.9 Ų59.932%0.31630%0.296SS..THydrogen-bonded Turntrans-78.5-3.1179-64.8-50000113.2L119 S127 E131 Y132 Y133L119-D129 HydrophobicContact CD1-CB 4.22Å; L119-D129 HydrophobicContact CD2-CB 3.99Å; S127-D129 PolarHBondContact O-N 3.19Å; S127-D129 PolarHBondContact OG-N 2.7Å; D129-E131 VanDerWaalsContact C-N 3.28Å; D129-E131 PolarHBondContact O-N 3.39Å; D129-Y132 WeakPolarHBondContact O-CB 3.41Å; D129-Y132 PolarHBondContact O-N 2.9Å; D129-Y133 PolarHBondContact O-N 3.38Å
130F85.4Confident83.1Confident30 Ų3062.6 Ų62.613%0.13233%0.328CS..Hα-helixtrans-58.4-38.1179.1-168-117.6000113.1Y121 A124 R125 S127 R128 Y132 Y133 K134 F141 N143Y121-F130 HydrophobicContact CE2-CE2 4.08Å; A124-F130 WeakPolarHBondContact O-CA 3.39Å; A124-F130 VanDerWaalsContact O-CB 3.29Å; A124-F130 WeakPolarHBondContact O-CB 3.43Å; A124-F130 PolarHBondContact O-N 3.06Å; R125-F130 HydrophobicContact CB-CD2 4.28Å; R125-F130 HydrophobicContact CB-CE2 4.32Å; R125-F130 HydrophobicContact CG-CE2 4.34Å; S127-F130 PolarHBondContact O-N 3.22Å; R128-F130 PolarHBondContact O-N 3.44Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 3.44Å; F130-Y133 PolarHBondContact O-N 3.19Å; F130-K134 WeakPolarHBondContact O-CB 3.27Å; F130-K134 PolarHBondContact O-N 3.39Å; F130-F141 HydrophobicContact CZ-CE1 4.24Å; F130-N143 HydrophobicContact CE1-CB 3.93Å; F130-N143 HydrophobicContact CZ-CB 3.87Å
131E85.7Confident83Confident124 Ų12463 Ų6358%0.57933%0.33SS*.Hα-helixtrans-68.8-34.1-179-161.760.1-154.900111.8D129D129-E131 VanDerWaalsContact C-N 3.28Å; D129-E131 PolarHBondContact O-N 3.39Å
132Y88Confident82.8Confident44 Ų4470 Ų7017%0.17336%0.36CS..Hα-helixtrans-67.3-46169.8171.5-90.6000110.9P115 D116 R117 L119 D129 F130 K134 Q135 F136 L160P115-Y132 WeakPolarHBondContact CA-OH 3.41Å; D116-Y132 PolarHBondContact N-OH 2.98Å; D116-Y132 PolarHBondContact OD1-OH 2.99Å; R117-Y132 HydrophobicContact CG-CE1 3.94Å; L119-Y132 HydrophobicContact CD1-CD1 3.68Å; L119-Y132 HydrophobicContact CD1-CE1 3.81Å; D129-Y132 WeakPolarHBondContact O-CB 3.41Å; D129-Y132 PolarHBondContact O-N 2.9Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 3.44Å; Y132-K134 VanDerWaalsContact C-N 3.31Å; Y132-K134 PolarHBondContact O-N 2.95Å; Y132-Q135 WeakPolarHBondContact O-CB 3.24Å; Y132-Q135 PolarHBondContact O-N 2.97Å; Y132-F136 HydrophobicContact CD1-CE2 4.25Å; Y132-F136 HydrophobicContact CE1-CD2 4.48Å; Y132-F136 AromaticContact CE1-CE2 3.74Å; Y132-F136 HydrophobicContact CE1-CE2 3.74Å; Y132-F136 HydrophobicContact CE2-CE2 4.19Å; Y132-F136 AromaticContact CZ-CE2 3.72Å; Y132-F136 WeakPolarHBondContact O-CD2 3.39Å; Y132-L160 HydrophobicContact CD1-CD1 4.49Å; Y132-L160 HydrophobicContact CE1-CD1 4.06Å
133Y87.9Confident82.6Confident0 Ų068.7 Ų68.70%035%0.353CS..Hα-helixtrans-61-40.4-178.9-160.7-79.6000112.6L119 Y121 A124 D129 F130 Q135 F136 C156 P157 A158 L160L119-Y133 HydrophobicContact CB-CD2 3.99Å; L119-Y133 HydrophobicContact CB-CE2 4.06Å; Y121-Y133 HydrophobicContact CD2-CD1 4.05Å; Y121-Y133 AromaticContact CD2-CE1 3.6Å; Y121-Y133 HydrophobicContact CD2-CE1 3.6Å; Y121-Y133 HydrophobicContact CG-CE1 4.41Å; Y121-Y133 PolarHBondContact N-OH 3.32Å; A124-Y133 HydrophobicContact CB-CD2 3.31Å; A124-Y133 HydrophobicContact CB-CE2 3.99Å; A124-Y133 HydrophobicContact CB-CG 3.62Å; D129-Y133 PolarHBondContact O-N 3.38Å; F130-Y133 PolarHBondContact O-N 3.19Å; Y133-Q135 PolarHBondContact O-N 3.05Å; Y133-Q135 VanDerWaalsContact O-N 3.12Å; Y133-F136 PolarHBondContact O-N 3.41Å; Y133-C156 HydrophobicContact CE1-CB 4.19Å; Y133-P157 HydrophobicContact CE1-CG 4.04Å; Y133-P157 PolarHBondContact OH-O 3.49Å; Y133-A158 PolarHBondContact OH-O 2.76Å; Y133-L160 HydrophobicContact CD2-CD1 3.42Å; Y133-L160 VanDerWaalsContact CD2-CD1 3.42Å; Y133-L160 HydrophobicContact CD2-CG 3.91Å; Y133-L160 HydrophobicContact CE2-CB 4.44Å; Y133-L160 HydrophobicContact CE2-CD1 3.63Å; Y133-L160 HydrophobicContact CE2-CG 3.54Å; Y133-L160 HydrophobicContact CG-CD1 4.01Å
134K87.8Confident82.4Confident84 Ų8470.5 Ų70.537%0.36536%0.363SS..Hα-helixtrans-59.2-24.7-178.8-170.7178.6176.2-169.30113.2F130 Y132 F136 C137 F141F130-K134 WeakPolarHBondContact O-CB 3.27Å; F130-K134 PolarHBondContact O-N 3.39Å; Y132-K134 VanDerWaalsContact C-N 3.31Å; Y132-K134 PolarHBondContact O-N 2.95Å; K134-F136 PolarHBondContact O-N 3.06Å; K134-C137 PolarHBondContact O-N 2.99Å; K134-F141 WeakPolarHBondContact CE-O 3.47Å
135Q87.9Confident82.3Confident113 Ų11373.8 Ų73.853%0.52838%0.378SS..THydrogen-bonded Turntrans-64-21.3175.5-58.2-179.910.100113Y132 Y133Y132-Q135 WeakPolarHBondContact O-CB 3.24Å; Y132-Q135 PolarHBondContact O-N 2.97Å; Y133-Q135 PolarHBondContact O-N 3.05Å; Y133-Q135 VanDerWaalsContact O-N 3.12Å
136F89.1Confident82.3Confident4 Ų472.1 Ų72.12%0.01838%0.384CS..THydrogen-bonded Turntrans-101.55.2-179.8-57.2-80.8000113.4F86 F88 I109 V111 K113 P115 Y132 Y133 K134 P157 L160F86-F136 HydrophobicContact CD1-CB 4.39Å; F86-F136 HydrophobicContact CD1-CD1 4.2Å; F86-F136 HydrophobicContact CE1-CB 4.12Å; F86-F136 HydrophobicContact CE1-CD1 4.36Å; F86-F136 HydrophobicContact CG-CD1 4.28Å; F88-F136 VanDerWaalsContact CE1-O 3.3Å; F88-F136 WeakPolarHBondContact CE1-O 3.41Å; I109-F136 WeakPolarHBondContact CD1-O 3.14Å; V111-F136 HydrophobicContact CB-CE1 4.43Å; V111-F136 HydrophobicContact CG1-CD1 3.92Å; V111-F136 HydrophobicContact CG1-CE1 4.23Å; K113-F136 WeakPolarHBondContact O-CE1 3.02Å; P115-F136 HydrophobicContact CB-CE1 4.01Å; P115-F136 HydrophobicContact CB-CE2 4.39Å; P115-F136 HydrophobicContact CB-CZ 3.88Å; P115-F136 HydrophobicContact CG-CE1 4.19Å; Y132-F136 HydrophobicContact CD1-CE2 4.25Å; Y132-F136 HydrophobicContact CE1-CD2 4.48Å; Y132-F136 AromaticContact CE1-CE2 3.74Å; Y132-F136 HydrophobicContact CE1-CE2 3.74Å; Y132-F136 HydrophobicContact CE2-CE2 4.19Å; Y132-F136 AromaticContact CZ-CE2 3.72Å; Y132-F136 WeakPolarHBondContact O-CD2 3.39Å; Y133-F136 PolarHBondContact O-N 3.41Å; K134-F136 PolarHBondContact O-N 3.06Å; F136-P157 HydrophobicContact CB-CG 4.31Å; F136-P157 VanDerWaalsContact O-CD 3.24Å; F136-P157 WeakPolarHBondContact O-CD 3.44Å; F136-L160 HydrophobicContact CB-CD1 4.48Å; F136-L160 HydrophobicContact CB-CD2 3.66Å; F136-L160 HydrophobicContact CD1-CD2 4.36Å; F136-L160 HydrophobicContact CD2-CD1 3.57Å; F136-L160 HydrophobicContact CD2-CD2 4.05Å; F136-L160 HydrophobicContact CD2-CG 4.49Å; F136-L160 HydrophobicContact CE2-CD1 4.1Å; F136-L160 HydrophobicContact CG-CD1 4.16Å; F136-L160 HydrophobicContact CG-CD2 3.75Å
137C87.3Confident82.3Confident5 Ų569.3 Ų69.33%0.03436%0.362CS..SBendtrans-90.2169.2173.3-60.70000111.6K134 F141 D155 C156K134-C137 PolarHBondContact O-N 2.99Å; C137-F141 HydrophobicContact CB-CB 4.12Å; C137-F141 HydrophobicContact CB-CD1 4.12Å; C137-F141 HydrophobicContact CB-CG 4.21Å; C137-D155 CarbonylContact C-O 3.38Å; C137-D155 WeakPolarHBondContact CA-O 3.27Å; C137-D155 WeakPolarHBondContact CB-O 3.31Å; C137-C156 HydrophobicContact CB-CB 4.09Å; C137-C156 WeakPolarHBondContact CB-SG 3.28Å; C137-C156 WeakPolarHBondContact SG-CB 3.34Å; C137-C156 CovalentContact SG-SG 2.04Å; C137-C156 PolarHBondContact SG-SG 3.26Å
138V83.2Confident81.8Confident41 Ų4170.9 Ų70.925%0.24838%0.377CS..PPolyproline II helixtrans-60143.6176.8-61.50000111.5F88 G140 F141 D155F88-V138 HydrophobicContact CE2-CG1 4.41Å; F88-V138 HydrophobicContact CZ-CG1 4.04Å; V138-G140 PolarHBondContact O-N 2.89Å; V138-F141 HydrophobicContact CG2-CB 4.28Å; V138-F141 WeakPolarHBondContact O-CB 3.42Å; V138-F141 PolarHBondContact O-N 2.97Å; V138-D155 HydrophobicContact CG2-CB 4.26Å; V138-D155 WeakPolarHBondContact CG2-O 3.48Å; V138-D155 PolarHBondContact N-O 3.45Å
139P77.3Confident81.5Confident64 Ų6463.4 Ų63.442%0.41635%0.353SS..THydrogen-bonded Turntrans-63.2127.9-176.6-28.640.8000112.5
140G74.1Confident81.3Confident74 Ų7460.6 Ų60.676%0.76334%0.338SS*.THydrogen-bonded Turntrans94.82.2-177.600000114.9V138 K142V138-G140 PolarHBondContact O-N 2.89Å; G140-K142 PolarHBondContact O-N 3.29Å
141F81.4Confident80.9Confident15 Ų1561 Ų617%0.06634%0.341CS..  trans-56.5133177.3178-107.3000113.3F130 K134 C137 V138 V150 D155 C156F130-F141 HydrophobicContact CZ-CE1 4.24Å; K134-F141 WeakPolarHBondContact CE-O 3.47Å; C137-F141 HydrophobicContact CB-CB 4.12Å; C137-F141 HydrophobicContact CB-CD1 4.12Å; C137-F141 HydrophobicContact CB-CG 4.21Å; V138-F141 HydrophobicContact CG2-CB 4.28Å; V138-F141 WeakPolarHBondContact O-CB 3.42Å; V138-F141 PolarHBondContact O-N 2.97Å; F141-V150 HydrophobicContact CE2-CG1 3.95Å; F141-V150 HydrophobicContact CE2-CG2 3.99Å; F141-V150 HydrophobicContact CZ-CG1 3.87Å; F141-V150 HydrophobicContact CZ-CG2 3.95Å; F141-D155 HydrophobicContact CD2-CB 3.67Å; F141-D155 HydrophobicContact CE2-CB 3.74Å; F141-C156 VanDerWaalsContact CE1-SG 3.52Å
142K77.1Confident80.1Confident149 Ų14960.6 Ų60.665%0.64834%0.34SS*.  trans-122.6141174.7-65.5-178.6179.5178.70109.8G140 N144G140-K142 PolarHBondContact O-N 3.29Å; K142-N144 WeakPolarHBondContact CB-OD1 3.42Å; K142-N144 PolarHBondContact O-N 3.44Å
143N76Confident79.2Confident65 Ų6559.7 Ų59.735%0.34834%0.337SS..THydrogen-bonded Turntrans-7951.6-174.1-168.523000113.3R125 F130R125-N143 PolarHBondContact NE-OD1 2.7Å; R125-N143 PolarHBondContact NH2-OD1 2.97Å; F130-N143 HydrophobicContact CE1-CB 3.93Å; F130-N143 HydrophobicContact CZ-CB 3.87Å
144N77.6Confident78.5Confident136 Ų13660.5 Ų60.573%0.72735%0.346SS*.THydrogen-bonded Turntrans-107.3-9.8-170.6-5821.5000112.4K142K142-N144 WeakPolarHBondContact CB-OD1 3.42Å; K142-N144 PolarHBondContact O-N 3.44Å
145K79.4Confident78.1Confident69 Ų6957.9 Ų57.930%0.334%0.336SS..SBendtrans-101.8158.3-175.1-67.8-178.8-178.7177.50112.7R125 E149 V150 D153 D155R125-K145 PolarHBondContact NH1-O 3.41Å; R125-K145 PolarHBondContact NH2-O 3.46Å; K145-E149 HydrophobicContact CB-CB 4.39Å; K145-E149 HydrophobicContact CB-CG 4.37Å; K145-E149 WeakPolarHBondContact CB-OE2 3.43Å; K145-E149 HydrophobicContact CD-CG 4.23Å; K145-V150 HydrophobicContact CB-CG2 3.69Å; K145-D153 IonicContact NZ-OD2 3.26Å; K145-D153 PolarHBondContact NZ-OD2 3.22Å; K145-D155 IonicContact NZ-OD2 2.79Å; K145-D155 PolarHBondContact NZ-OD2 2.91Å
146G79.1Confident78Confident39 Ų3952.6 Ų52.640%0.40231%0.312SS..  trans-64157.6173.400000112.3A148 E149 V150G146-A148 PolarHBondContact O-N 2.83Å; G146-E149 PolarHBondContact N-OE2 3.43Å; G146-E149 PolarHBondContact O-N 3.23Å; G146-V150 WeakPolarHBondContact O-CG2 3.3Å; G146-V150 PolarHBondContact O-N 3.36Å
147V77.4Confident77.9Confident46 Ų4652.5 Ų52.528%0.27931%0.311SS..Hα-helixtrans-61.6-45-180173.30000111.8Y121 L122 R125 E149 V150 L151Y121-V147 HydrophobicContact CD1-CG1 3.94Å; Y121-V147 HydrophobicContact CE1-CB 4.36Å; Y121-V147 HydrophobicContact CE1-CG1 4.01Å; Y121-V147 HydrophobicContact CE1-CG2 4.19Å; L122-V147 HydrophobicContact CD2-CG1 3.78Å; L122-V147 HydrophobicContact CD2-CG2 4.38Å; L122-V147 HydrophobicContact CG-CG1 4.35Å; R125-V147 VanDerWaalsContact NH1-CG2 3.29Å; V147-E149 VanDerWaalsContact C-N 3.31Å; V147-E149 PolarHBondContact O-N 2.83Å; V147-V150 PolarHBondContact O-N 3.06Å; V147-L151 HydrophobicContact CG1-CD1 4.08Å; V147-L151 WeakPolarHBondContact O-CG 3.23Å; V147-L151 PolarHBondContact O-N 3.26Å
148A72.4Confident77.7Confident77 Ų7753.3 Ų53.364%0.63632%0.318SS*.Hα-helixtrans-61.5-42.1177.700000111.5G146 L151 Q152G146-A148 PolarHBondContact O-N 2.83Å; A148-L151 PolarHBondContact O-N 3.38Å; A148-Q152 WeakPolarHBondContact O-CB 3.23Å; A148-Q152 PolarHBondContact O-N 3.33Å
149E74.3Confident77.7Confident93 Ų9352.2 Ų52.244%0.43531%0.312SS..Hα-helixtrans-64.9-42.2177.8-165.3-178.2-171.500111.8K145 G146 V147 L151 Q152 D153K145-E149 HydrophobicContact CB-CB 4.39Å; K145-E149 HydrophobicContact CB-CG 4.37Å; K145-E149 WeakPolarHBondContact CB-OE2 3.43Å; K145-E149 HydrophobicContact CD-CG 4.23Å; G146-E149 PolarHBondContact N-OE2 3.43Å; G146-E149 PolarHBondContact O-N 3.23Å; V147-E149 VanDerWaalsContact C-N 3.31Å; V147-E149 PolarHBondContact O-N 2.83Å; E149-L151 PolarHBondContact O-N 3.31Å; E149-Q152 PolarHBondContact O-N 3.41Å; E149-D153 WeakPolarHBondContact O-CA 3.22Å; E149-D153 WeakPolarHBondContact O-CB 3.34Å; E149-D153 PolarHBondContact O-N 3.24Å
150V79.6Confident78.1Confident0 Ų049.1 Ų49.10%029%0.292CS..Hα-helixtrans-63.7-41.3178173.60000112.4Y121 F141 K145 G146 V147 D153 G154 D155 C156Y121-V150 HydrophobicContact CE1-CB 4.12Å; Y121-V150 HydrophobicContact CE1-CG1 3.98Å; Y121-V150 HydrophobicContact CE2-CG1 4.1Å; F141-V150 HydrophobicContact CE2-CG1 3.95Å; F141-V150 HydrophobicContact CE2-CG2 3.99Å; F141-V150 HydrophobicContact CZ-CG1 3.87Å; F141-V150 HydrophobicContact CZ-CG2 3.95Å; K145-V150 HydrophobicContact CB-CG2 3.69Å; G146-V150 WeakPolarHBondContact O-CG2 3.3Å; G146-V150 PolarHBondContact O-N 3.36Å; V147-V150 PolarHBondContact O-N 3.06Å; V150-D153 PolarHBondContact O-N 2.88Å; V150-G154 PolarHBondContact O-N 3.45Å; V150-D155 HydrophobicContact CG1-CB 4.09Å; V150-D155 PolarHBondContact O-N 2.95Å; V150-C156 HydrophobicContact CG1-CB 3.93Å
151L75.9Confident78.4Confident38 Ų3846.6 Ų46.620%0.19926%0.261CS..Hα-helixtrans-76.1-37.6-178.8-66.2178.4000111.9Y121 V147 A148 E149 D153 G154 A158Y121-L151 HydrophobicContact CD1-CD1 4.49Å; Y121-L151 HydrophobicContact CD1-CD2 4.13Å; Y121-L151 HydrophobicContact CD1-CG 4.24Å; Y121-L151 HydrophobicContact CG-CD2 4.24Å; V147-L151 HydrophobicContact CG1-CD1 4.08Å; V147-L151 WeakPolarHBondContact O-CG 3.23Å; V147-L151 PolarHBondContact O-N 3.26Å; A148-L151 PolarHBondContact O-N 3.38Å; E149-L151 PolarHBondContact O-N 3.31Å; L151-D153 VanDerWaalsContact C-N 3.26Å; L151-G154 PolarHBondContact O-N 3.01Å; L151-A158 HydrophobicContact CD2-CB 3.95Å
152Q69.6Low78.4Confident117 Ų11746.7 Ų46.755%0.54726%0.262SS..Hα-helixtrans-66.3-33.1169.6-172.417415.600111A148 E149 G154 R424A148-Q152 WeakPolarHBondContact O-CB 3.23Å; A148-Q152 PolarHBondContact O-N 3.33Å; E149-Q152 PolarHBondContact O-N 3.41Å; Q152-G154 PolarHBondContact O-N 3.32Å; Q152-R424 PolarHBondContact O-NH1 3.43Å
153D68.8Low78.4Confident24 Ų2440.3 Ų40.313%0.12824%0.237CC..Hα-helixtrans-73.2-19.1179.2-72.62.3000113.6K145 E149 V150 L151 D155 R424K145-D153 IonicContact NZ-OD2 3.26Å; K145-D153 PolarHBondContact NZ-OD2 3.22Å; E149-D153 WeakPolarHBondContact O-CA 3.22Å; E149-D153 WeakPolarHBondContact O-CB 3.34Å; E149-D153 PolarHBondContact O-N 3.24Å; V150-D153 PolarHBondContact O-N 2.88Å; L151-D153 VanDerWaalsContact C-N 3.26Å; D153-D155 HydrophobicContact CB-CB 4.38Å; D153-D155 PolarHBondContact O-N 3.12Å; D153-R424 VanDerWaalsContact CA-CZ 3.42Å; D153-R424 PolarHBondContact O-NH1 2.94Å; D153-R424 IonicContact OD1-CZ 2.78Å; D153-R424 IonicContact OD1-NH2 3.11Å; D153-R424 PolarHBondContact OD1-NH2 3.47Å
154G72.4Confident78.4Confident17 Ų1742.1 Ų42.118%0.17524%0.242CC..THydrogen-bonded Turntrans59.928.3-171.400000111.1F88 V150 L151 Q152 C156F88-G154 WeakPolarHBondContact CE2-O 3.48Å; V150-G154 PolarHBondContact O-N 3.45Å; L151-G154 PolarHBondContact O-N 3.01Å; Q152-G154 PolarHBondContact O-N 3.32Å; G154-C156 VanDerWaalsContact C-N 3.32Å
155D81.3Confident78.2Confident30 Ų3038.4 Ų38.416%0.1623%0.225CC..SBendtrans-72.9-32.1177.4-83.3-17.5000110.4C137 V138 F141 K145 V150 D153C137-D155 CarbonylContact C-O 3.38Å; C137-D155 WeakPolarHBondContact CA-O 3.27Å; C137-D155 WeakPolarHBondContact CB-O 3.31Å; V138-D155 HydrophobicContact CG2-CB 4.26Å; V138-D155 WeakPolarHBondContact CG2-O 3.48Å; V138-D155 PolarHBondContact N-O 3.45Å; F141-D155 HydrophobicContact CD2-CB 3.67Å; F141-D155 HydrophobicContact CE2-CB 3.74Å; K145-D155 IonicContact NZ-OD2 2.79Å; K145-D155 PolarHBondContact NZ-OD2 2.91Å; V150-D155 HydrophobicContact CG1-CB 4.09Å; V150-D155 PolarHBondContact O-N 2.95Å; D153-D155 HydrophobicContact CB-CB 4.38Å; D153-D155 PolarHBondContact O-N 3.12Å
156C85.3Confident77.5Confident2 Ų235.4 Ų35.41%0.01421%0.212CC..SBendtrans-134.5153174.5-68.90000110.3Y121 Y133 C137 F141 V150 G154Y121-C156 HydrophobicContact CD2-CB 4.15Å; Y121-C156 HydrophobicContact CE2-CB 4.16Å; Y133-C156 HydrophobicContact CE1-CB 4.19Å; C137-C156 HydrophobicContact CB-CB 4.09Å; C137-C156 WeakPolarHBondContact CB-SG 3.28Å; C137-C156 WeakPolarHBondContact SG-CB 3.34Å; C137-C156 CovalentContact SG-SG 2.04Å; C137-C156 PolarHBondContact SG-SG 3.26Å; F141-C156 VanDerWaalsContact CE1-SG 3.52Å; V150-C156 HydrophobicContact CG1-CB 3.93Å; G154-C156 VanDerWaalsContact C-N 3.32Å
157P86.6Confident76.8Confident1 Ų136.1 Ų36.11%0.00621%0.214CC..  trans-59.9157.2168.726.6-33.9000109.9F86 F88 Y133 F136 L160F86-P157 HydrophobicContact CE1-CB 4.26Å; F86-P157 HydrophobicContact CE1-CG 4.08Å; F86-P157 HydrophobicContact CZ-CG 4.5Å; F88-P157 HydrophobicContact CB-CB 4.3Å; F88-P157 HydrophobicContact CD1-CB 4.44Å; F88-P157 HydrophobicContact CD2-CB 4.3Å; F88-P157 HydrophobicContact CG-CB 4.11Å; Y133-P157 HydrophobicContact CE1-CG 4.04Å; Y133-P157 PolarHBondContact OH-O 3.49Å; F136-P157 HydrophobicContact CB-CG 4.31Å; F136-P157 VanDerWaalsContact O-CD 3.24Å; F136-P157 WeakPolarHBondContact O-CD 3.44Å; P157-L160 HydrophobicContact CB-CD2 4.38Å; P157-L160 HydrophobicContact CG-CD2 3.61Å; P157-L160 HydrophobicContact CG-CG 4.5Å
158A82.4Confident76.7Confident23 Ų2337.4 Ų37.419%0.1921%0.214CC..SBendtrans-79.7-34.9174.200000111.5Y121 Y133 L151Y121-A158 PolarHBondContact N-O 2.89Å; Y133-A158 PolarHBondContact OH-O 2.76Å; L151-A158 HydrophobicContact CD2-CB 3.95Å
159V83.4Confident76.9Confident17 Ų1737.5 Ų37.510%0.10320%0.198CC..EExtended strand (participates in β ladder)trans-142.2138.4-179.264.50000110.2Y118 L119 T120 I161Y118-V159 HydrophobicContact CD2-CG2 4.07Å; Y118-V159 HydrophobicContact CE1-CG2 4.43Å; Y118-V159 HydrophobicContact CE2-CG2 3.36Å; L119-V159 CarbonylContact O-C 3.56Å; L119-V159 WeakPolarHBondContact O-CA 3.2Å; T120-V159 HydrophobicContact CG2-CG2 4.28Å; V159-I161 HydrophobicContact CG1-CD1 4.41Å; V159-I161 HydrophobicContact CG1-CG1 4.25Å; V159-I161 HydrophobicContact CG2-CG1 4.4Å
160L85.1Confident77.1Confident0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-95.1127.2166.7-63.5179.8000108.4F86 P115 Y118 L119 Y132 Y133 F136 P157F86-L160 HydrophobicContact CE1-CD2 4.15Å; F86-L160 HydrophobicContact CZ-CD2 3.69Å; P115-L160 HydrophobicContact CB-CB 4.37Å; Y118-L160 WeakPolarHBondContact CA-O 3.28Å; L119-L160 HydrophobicContact CB-CB 4.33Å; L119-L160 HydrophobicContact CB-CD1 4.42Å; L119-L160 PolarHBondContact N-O 3.16Å; L119-L160 PolarHBondContact O-N 2.9Å; Y132-L160 HydrophobicContact CD1-CD1 4.49Å; Y132-L160 HydrophobicContact CE1-CD1 4.06Å; Y133-L160 HydrophobicContact CD2-CD1 3.42Å; Y133-L160 VanDerWaalsContact CD2-CD1 3.42Å; Y133-L160 HydrophobicContact CD2-CG 3.91Å; Y133-L160 HydrophobicContact CE2-CB 4.44Å; Y133-L160 HydrophobicContact CE2-CD1 3.63Å; Y133-L160 HydrophobicContact CE2-CG 3.54Å; Y133-L160 HydrophobicContact CG-CD1 4.01Å; F136-L160 HydrophobicContact CB-CD1 4.48Å; F136-L160 HydrophobicContact CB-CD2 3.66Å; F136-L160 HydrophobicContact CD1-CD2 4.36Å; F136-L160 HydrophobicContact CD2-CD1 3.57Å; F136-L160 HydrophobicContact CD2-CD2 4.05Å; F136-L160 HydrophobicContact CD2-CG 4.49Å; F136-L160 HydrophobicContact CE2-CD1 4.1Å; F136-L160 HydrophobicContact CG-CD1 4.16Å; F136-L160 HydrophobicContact CG-CD2 3.75Å; P157-L160 HydrophobicContact CB-CD2 4.38Å; P157-L160 HydrophobicContact CG-CD2 3.61Å; P157-L160 HydrophobicContact CG-CG 4.5Å
161I81.6Confident76.8Confident21 Ų2135.6 Ų35.611%0.10819%0.189CC..  trans-110.7128.7179.2-59178.3000107.9P115 V159 S163 P172 V183 L202P115-I161 WeakPolarHBondContact CG-O 3.48Å; V159-I161 HydrophobicContact CG1-CD1 4.41Å; V159-I161 HydrophobicContact CG1-CG1 4.25Å; V159-I161 HydrophobicContact CG2-CG1 4.4Å; I161-S163 PolarHBondContact O-N 3.49Å; I161-S163 PolarHBondContact O-OG 3.46Å; I161-P172 HydrophobicContact CG2-CB 4.1Å; I161-P172 HydrophobicContact CG2-CG 4.46Å; I161-V183 HydrophobicContact CG2-CG1 3.5Å; I161-L202 HydrophobicContact CD1-CD1 4.28Å; I161-L202 HydrophobicContact CD1-CD2 4.33Å
162P81.8Confident76.7Confident16 Ų1634.4 Ų34.410%0.10418%0.183CC..  trans-48.9126.7175.2-24.630.5000110.8P115 P172 A173P115-P162 CarbonylContact O-C 3.48Å; P115-P162 WeakPolarHBondContact O-CA 3.41Å; P162-P172 CarbonylContact O-C 3.56Å; P162-P172 WeakPolarHBondContact O-CA 3.19Å; P162-A173 PolarHBondContact O-N 3.49Å
163S77.1Confident76.5Confident16 Ų1629.6 Ų29.611%0.11216%0.163CC..EExtended strand (participates in β ladder)trans-140149.2-168.1-66.80000112.1P115 I161 F171P115-S163 PolarHBondContact O-N 3.32Å; I161-S163 PolarHBondContact O-N 3.49Å; I161-S163 PolarHBondContact O-OG 3.46Å; S163-F171 CarbonylContact C-O 3.57Å; S163-F171 WeakPolarHBondContact CA-O 3.3Å; S163-F171 WeakPolarHBondContact CB-O 3.47Å
164K75.8Confident76.3Confident103 Ų10329.2 Ų29.245%0.44816%0.161SC..EExtended strand (participates in β ladder)trans-110.9144173-73.4-179.2175.7174.80110.9F171 A173K164-F171 PolarHBondContact N-O 3.39Å; K164-F171 PolarHBondContact O-N 3.3Å; K164-A173 HydrophobicContact CD-CB 4.46Å; K164-A173 HydrophobicContact CG-CB 4.14Å
165P72.6Confident75.6Confident57 Ų5733 Ų3337%0.3717%0.174SC..EExtended strand (participates in β ladder)trans-72.1129176.427.4-32.6000111.9Y84 R169Y84-P165 HydrophobicContact CD1-CB 3.48Å; Y84-P165 VanDerWaalsContact CD1-CB 3.48Å; Y84-P165 HydrophobicContact CE1-CB 3.24Å; Y84-P165 HydrophobicContact CE1-CG 4.11Å; Y84-P165 HydrophobicContact CE2-CB 4.45Å; Y84-P165 HydrophobicContact CG-CB 4.22Å; P165-R169 CarbonylContact C-O 3.57Å; P165-R169 WeakPolarHBondContact CA-O 3.35Å
166L66Low74Confident6 Ų635.5 Ų35.53%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-141.5126.5175.817664.5000110.2R168 R169 F171 A209 V212 L213 R216L166-R168 PolarHBondContact O-N 2.87Å; L166-R169 PolarHBondContact N-O 3.12Å; L166-R169 WeakPolarHBondContact O-CA 3.41Å; L166-R169 WeakPolarHBondContact O-CB 3.28Å; L166-R169 PolarHBondContact O-N 3.06Å; L166-R169 VanDerWaalsContact O-O 3.06Å; L166-F171 HydrophobicContact CB-CD2 3.79Å; L166-F171 HydrophobicContact CB-CE2 4.25Å; L166-F171 HydrophobicContact CD2-CD2 4.05Å; L166-F171 HydrophobicContact CD2-CE2 4.18Å; L166-F171 HydrophobicContact CG-CD2 4.34Å; L166-F171 HydrophobicContact CG-CE2 4.42Å; L166-A209 WeakPolarHBondContact CD2-O 3.45Å; L166-V212 HydrophobicContact CD1-CG1 4.37Å; L166-V212 HydrophobicContact CD2-CB 4.14Å; L166-V212 HydrophobicContact CD2-CG1 3.98Å; L166-V212 HydrophobicContact CG-CG1 4.46Å; L166-L213 HydrophobicContact CB-CD1 4.38Å; L166-L213 HydrophobicContact CD1-CB 4.36Å; L166-L213 HydrophobicContact CD1-CD1 3.87Å; L166-L213 HydrophobicContact CD2-CB 4.17Å; L166-R216 HydrophobicContact CD1-CB 4.18Å
167A63.5Low71.8Confident54 Ų5442.8 Ų42.845%0.44623%0.227SC..THydrogen-bonded Turntrans48.640.9-176.600000113.7R169A167-R169 PolarHBondContact O-N 3.31Å
168R74.6Confident69.5Low73 Ų7351.5 Ų51.528%0.27527%0.265SS..THydrogen-bonded Turntrans61.726.2-174.2-67.5-178.2177.6163.2-11.4114I62 P64 P83 Y84 L85 L166I62-R168 PolarHBondContact O-NH1 3.43Å; I62-R168 VanDerWaalsContact O-NH1 3.09Å; P64-R168 HydrophobicContact CG-CB 3.72Å; P64-R168 VanDerWaalsContact CG-O 3.31Å; P64-R168 WeakPolarHBondContact CG-O 3.1Å; P83-R168 VanDerWaalsContact O-CB 3.26Å; P83-R168 WeakPolarHBondContact O-CB 3.21Å; P83-R168 WeakPolarHBondContact O-CG 3.43Å; Y84-R168 CarbonylContact C-O 3.54Å; Y84-R168 WeakPolarHBondContact CA-O 3.46Å; L85-R168 PolarHBondContact N-O 3.47Å; L166-R168 PolarHBondContact O-N 2.87Å
169R76.9Confident67.7Low80 Ų8054 Ų5430%0.30229%0.292SS..EExtended strand (participates in β ladder)trans-129.1150.8175.4-56.6178-179-99.9-1.5110P64 L85 Y87 P165 L166 A167 F171P64-R169 HydrophobicContact CB-CG 4.44Å; L85-R169 HydrophobicContact CB-CG 4.13Å; L85-R169 HydrophobicContact CD2-CG 4.43Å; L85-R169 CarbonylContact O-C 3.57Å; L85-R169 VanDerWaalsContact O-CA 3.31Å; L85-R169 WeakPolarHBondContact O-CA 3.4Å; Y87-R169 HydrophobicContact CE2-CB 4.34Å; Y87-R169 PolarHBondContact OH-NH1 3.19Å; P165-R169 CarbonylContact C-O 3.57Å; P165-R169 WeakPolarHBondContact CA-O 3.35Å; L166-R169 PolarHBondContact N-O 3.12Å; L166-R169 WeakPolarHBondContact O-CA 3.41Å; L166-R169 WeakPolarHBondContact O-CB 3.28Å; L166-R169 PolarHBondContact O-N 3.06Å; L166-R169 VanDerWaalsContact O-O 3.06Å; A167-R169 PolarHBondContact O-N 3.31Å; R169-F171 HydrophobicContact CB-CD2 4.26Å; R169-F171 HydrophobicContact CB-CE2 3.76Å
170C78.5Confident65.9Low3 Ų356.9 Ų56.92%0.0231%0.31CS..EExtended strand (participates in β ladder)trans-92.3121.6177.5-63.90000110.6L85 F86 C114L85-C170 PolarHBondContact O-N 3.03Å; F86-C170 HydrophobicContact CD2-CB 4.11Å; C114-C170 WeakPolarHBondContact CA-SG 3.35Å; C114-C170 HydrophobicContact CB-CB 3.84Å; C114-C170 WeakPolarHBondContact CB-SG 3.48Å; C114-C170 WeakPolarHBondContact SG-CA 3.38Å; C114-C170 WeakPolarHBondContact SG-CB 3.46Å; C114-C170 CovalentContact SG-SG 2.05Å; C114-C170 PolarHBondContact SG-SG 3.4Å
171F73.7Confident64.4Low50 Ų5059.4 Ų59.422%0.21932%0.323CS..EExtended strand (participates in β ladder)trans-118.9142.8176.5-75.8-88.8000111.1I90 S163 K164 L166 R169 A173 A209I90-F171 HydrophobicContact CD1-CD1 3.63Å; I90-F171 HydrophobicContact CD1-CE1 4.02Å; I90-F171 HydrophobicContact CD1-CG 4.42Å; S163-F171 CarbonylContact C-O 3.57Å; S163-F171 WeakPolarHBondContact CA-O 3.3Å; S163-F171 WeakPolarHBondContact CB-O 3.47Å; K164-F171 PolarHBondContact N-O 3.39Å; K164-F171 PolarHBondContact O-N 3.3Å; L166-F171 HydrophobicContact CB-CD2 3.79Å; L166-F171 HydrophobicContact CB-CE2 4.25Å; L166-F171 HydrophobicContact CD2-CD2 4.05Å; L166-F171 HydrophobicContact CD2-CE2 4.18Å; L166-F171 HydrophobicContact CG-CD2 4.34Å; L166-F171 HydrophobicContact CG-CE2 4.42Å; R169-F171 HydrophobicContact CB-CD2 4.26Å; R169-F171 HydrophobicContact CB-CE2 3.76Å; F171-A173 PolarHBondContact O-N 2.88Å; F171-A209 HydrophobicContact CD1-CB 3.45Å; F171-A209 VanDerWaalsContact CD1-CB 3.45Å; F171-A209 HydrophobicContact CE1-CB 3.51Å; F171-A209 HydrophobicContact CG-CB 4.19Å; F171-A209 HydrophobicContact CZ-CB 4.27Å
172P73.4Confident63.2Low13 Ų1360.3 Ų60.38%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-51.3133.8177.9-27.734000112.7I90 I161 P162 I174 L202I90-P172 HydrophobicContact CD1-CG 4.37Å; I90-P172 HydrophobicContact CG2-CG 3.76Å; I161-P172 HydrophobicContact CG2-CB 4.1Å; I161-P172 HydrophobicContact CG2-CG 4.46Å; P162-P172 CarbonylContact O-C 3.56Å; P162-P172 WeakPolarHBondContact O-CA 3.19Å; P172-I174 HydrophobicContact CB-CG1 4.15Å; P172-I174 PolarHBondContact O-N 3.25Å; P172-I174 VanDerWaalsContact O-N 3.12Å; P172-L202 HydrophobicContact CG-CD1 4.31Å
173A66.6Low61.9Low15 Ų1560.3 Ų60.312%0.12433%0.327CS..  trans-8088.5175.700000109.3P162 K164 F171P162-A173 PolarHBondContact O-N 3.49Å; K164-A173 HydrophobicContact CD-CB 4.46Å; K164-A173 HydrophobicContact CG-CB 4.14Å; F171-A173 PolarHBondContact O-N 2.88Å
174I63.3Low61.2Low17 Ų1761.3 Ų61.39%0.08734%0.339CS..EExtended strand (participates in β ladder)trans-90.9130-179-54.3-173.5000109.9P172 L181 V183 V203 A206P172-I174 HydrophobicContact CB-CG1 4.15Å; P172-I174 PolarHBondContact O-N 3.25Å; P172-I174 VanDerWaalsContact O-N 3.12Å; I174-L181 HydrophobicContact CG2-CD2 3.88Å; I174-V183 HydrophobicContact CG1-CG2 4.03Å; I174-V203 HydrophobicContact CD1-CG2 4.01Å; I174-V203 HydrophobicContact CG2-CG2 4.16Å; I174-A206 HydrophobicContact CD1-CB 3.2Å; I174-A206 HydrophobicContact CG1-CB 4.37Å
175H58.6Low60.5Low97 Ų9764 Ų6445%0.44936%0.359SS..EExtended strand (participates in β ladder)trans-119.3135.1176.7-68.9-81.3000110.2M182H175-M182 PolarHBondContact N-O 2.89Å; H175-M182 PolarHBondContact O-N 3.4Å
176A46.7Very low59.9Low82 Ų8265.8 Ų65.868%0.67836%0.362SS*.EExtended strand (participates in β ladder)trans-102.3121.9172.600000109.2V180A176-V180 WeakPolarHBondContact CA-O 3.46Å
177Y40.6Very low59.7Low155 Ų15568.8 Ų68.861%0.60838%0.381SS*.EExtended strand (participates in β ladder)trans-123.8121.3173.8-171.5-105.4000108.9G179 V180 M182Y177-G179 PolarHBondContact O-N 3.47Å; Y177-G179 VanDerWaalsContact O-N 3.16Å; Y177-V180 PolarHBondContact N-O 3.49Å; Y177-V180 PolarHBondContact O-N 2.8Å; Y177-M182 VanDerWaalsContact CB-CE 3.48Å; Y177-M182 HydrophobicContact CG-CE 4.34Å
178K36.8Very low59.7Low184 Ų18468 Ų6880%0.837%0.37SS*.THydrogen-bonded Turntrans49.139.1-177.4-62.4-175.2175.1-175.70114.2V180K178-V180 VanDerWaalsContact C-N 3.3Å; K178-V180 PolarHBondContact O-N 2.92Å
179G44.2Very low59.3Low74 Ų7465.5 Ų65.576%0.76336%0.361SS*.THydrogen-bonded Turntrans81.9-3.2178.100000115.9Y177Y177-G179 PolarHBondContact O-N 3.47Å; Y177-G179 VanDerWaalsContact O-N 3.16Å
180V46.8Very low58.8Low79 Ų7964.4 Ų64.448%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-99.7132.9174.8-175.40000109.6A176 Y177 K178 T187A176-V180 WeakPolarHBondContact CA-O 3.46Å; Y177-V180 PolarHBondContact N-O 3.49Å; Y177-V180 PolarHBondContact O-N 2.8Å; K178-V180 VanDerWaalsContact C-N 3.3Å; K178-V180 PolarHBondContact O-N 2.92Å; V180-T187 HydrophobicContact CG1-CG2 3.89Å
181L54.2Low58.1Low53 Ų5365.5 Ų65.528%0.27737%0.365SS..EExtended strand (participates in β ladder)trans-88.4129.4-178.8-68.6143.1000110.2I174 I199 V203I174-L181 HydrophobicContact CG2-CD2 3.88Å; L181-I199 HydrophobicContact CB-CG2 4.46Å; L181-V203 HydrophobicContact CB-CG2 3.72Å; L181-V203 HydrophobicContact CD1-CB 4.09Å; L181-V203 HydrophobicContact CD1-CG1 3.63Å; L181-V203 HydrophobicContact CD1-CG2 3.86Å; L181-V203 HydrophobicContact CD2-CG1 3.87Å; L181-V203 HydrophobicContact CD2-CG2 3.93Å; L181-V203 HydrophobicContact CG-CG1 4.28Å; L181-V203 HydrophobicContact CG-CG2 4.02Å
182M54.9Low57.4Low39 Ų3963.6 Ų63.619%0.19236%0.36CS..EExtended strand (participates in β ladder)trans-132.1152.6-177.6-61-173.7-61.800111H175 Y177 T187H175-M182 PolarHBondContact N-O 2.89Å; H175-M182 PolarHBondContact O-N 3.4Å; Y177-M182 VanDerWaalsContact CB-CE 3.48Å; Y177-M182 HydrophobicContact CG-CE 4.34Å; M182-T187 HydrophobicContact CG-CG2 4.04Å; M182-T187 HydrophobicContact SD-CG2 4.45Å
183V55.1Low56.8Low17 Ų1770.2 Ų70.210%0.10339%0.389CS..EExtended strand (participates in β ladder)trans-122.1110.7169.3-179.50000107.7I161 I174 N185 E186 I199 L202I161-V183 HydrophobicContact CG2-CG1 3.5Å; I174-V183 HydrophobicContact CG1-CG2 4.03Å; V183-N185 PolarHBondContact O-N 3.45Å; V183-E186 PolarHBondContact N-O 2.9Å; V183-I199 HydrophobicContact CB-CD1 4.13Å; V183-I199 HydrophobicContact CG2-CD1 4.22Å; V183-I199 HydrophobicContact CG2-CG2 3.97Å; V183-L202 HydrophobicContact CG2-CD2 3.77Å
184G63.4Low56.6Low36 Ų3672.1 Ų72.137%0.37141%0.411SS..THydrogen-bonded Turntrans65.9-126.7-159.300000110.7
185N60.7Low56.6Low160 Ų16074.3 Ų74.386%0.85643%0.427SS*.THydrogen-bonded Turntrans-108.23.5-179-75.7-5.8000114.3V183V183-N185 PolarHBondContact O-N 3.45Å
186E59.7Low57Low95 Ų9577.9 Ų77.944%0.44444%0.437SS..BIsolated β-bridgetrans-107.9154.3-178.3-62.1-155.9172.100112.3V183 R196 I199V183-E186 PolarHBondContact N-O 2.9Å; E186-R196 IonicContact OE2-NH2 3.65Å; E186-I199 WeakPolarHBondContact O-CD1 3.49Å
187T61.3Low58.1Low69 Ų6978.1 Ų78.142%0.42342%0.423SS..SBendtrans-101.4-9.6176.551.40000113.3V180 M182 I199V180-T187 HydrophobicContact CG1-CG2 3.89Å; M182-T187 HydrophobicContact CG-CG2 4.04Å; M182-T187 HydrophobicContact SD-CG2 4.45Å; T187-I199 WeakPolarHBondContact O-CB 3.33Å; T187-I199 VanDerWaalsContact O-CG1 3.23Å; T187-I199 WeakPolarHBondContact O-CG1 3.36Å; T187-I199 PolarHBondContact O-N 2.97Å
188T63.8Low59.4Low36 Ų3675.4 Ų75.422%0.22142%0.418CS..EExtended strand (participates in β ladder)trans-126148.1176.757.30000109.6K197T188-K197 CarbonylContact C-O 3.43Å; T188-K197 VanDerWaalsContact CA-O 3.29Å; T188-K197 WeakPolarHBondContact CA-O 3.2Å
189Y66.6Low60.7Low21 Ų2166.8 Ų66.88%0.08238%0.381CS..EExtended strand (participates in β ladder)trans-122152.2170.674.8-84.9000110.2D191 R196 K197 I199 L202Y189-D191 HydrophobicContact CE2-CB 4.19Å; Y189-R196 CarbonylContact O-C 3.55Å; Y189-R196 WeakPolarHBondContact O-CA 3.05Å; Y189-K197 HydrophobicContact CD1-CB 4.39Å; Y189-K197 HydrophobicContact CE1-CB 3.8Å; Y189-K197 HydrophobicContact CE2-CB 4.45Å; Y189-K197 PolarHBondContact N-O 3.32Å; Y189-K197 PolarHBondContact O-N 3.33Å; Y189-I199 HydrophobicContact CD1-CG1 4.24Å; Y189-L202 HydrophobicContact CE1-CB 4.21Å
190E65.8Low61.5Low58 Ų5867.1 Ų67.127%0.27137%0.369SS..EExtended strand (participates in β ladder)trans-92.5128.9173.7-163179.8172.900108.9Y118 G192Y118-E190 WeakPolarHBondContact OH-CB 3Å; Y118-E190 PolarHBondContact OH-N 3.06Å; Y118-E190 PolarHBondContact OH-O 2.9Å; E190-G192 PolarHBondContact O-N 3.03Å
191D63.3Low62.2Low26 Ų2667.3 Ų67.314%0.13937%0.367CS..  trans-794.9-175.369.11.1000114.3Y189 H193 S195 K197Y189-D191 HydrophobicContact CE2-CB 4.19Å; D191-H193 VanDerWaalsContact C-N 3.27Å; D191-H193 PolarHBondContact O-N 3.45Å; D191-H193 PolarHBondContact OD1-N 3.49Å; D191-S195 PolarHBondContact N-O 3.37Å; D191-S195 PolarHBondContact OD1-N 3Å; D191-K197 HydrophobicContact CB-CD 4.36Å; D191-K197 WeakPolarHBondContact OD2-CE 3.07Å; D191-K197 IonicContact OD2-NZ 3.28Å; D191-K197 PolarHBondContact OD2-NZ 2.68Å
192G59.7Low62.5Low10 Ų1065 Ų6510%0.10336%0.355CS..SBendtrans81.2-0.9-179.300000114.7E190E190-G192 PolarHBondContact O-N 3.03Å
193H60.2Low62.6Low151 Ų15163.5 Ų63.570%0.69935%0.348SS*.SBendtrans-108.518.5171.5-69.4-76.3000112.5D191D191-H193 VanDerWaalsContact C-N 3.27Å; D191-H193 PolarHBondContact O-N 3.45Å; D191-H193 PolarHBondContact OD1-N 3.49Å
194G62.1Low62.7Low56 Ų5670.2 Ų70.258%0.57738%0.378SS*.SBendtrans82.27.3179.900000114.9
195S63.2Low62.1Low63 Ų6370.1 Ų70.144%0.44138%0.377SS..  trans-106.6129178.3-66.80000111.6D191D191-S195 PolarHBondContact N-O 3.37Å; D191-S195 PolarHBondContact OD1-N 3Å
196R68.8Low61.7Low172 Ų17262.8 Ų62.865%0.64934%0.339SS*.EExtended strand (participates in β ladder)trans-88126.7174-81.3-177.5143.9174.9-9.4110.8E186 Y189E186-R196 IonicContact OE2-NH2 3.65Å; Y189-R196 CarbonylContact O-C 3.55Å; Y189-R196 WeakPolarHBondContact O-CA 3.05Å
197K68.9Low61.2Low87 Ų8765.4 Ų65.438%0.37835%0.349SS..EExtended strand (participates in β ladder)trans-117.9152.4178.8-66-176.4-179.8162.40111.2T188 Y189 D191T188-K197 CarbonylContact C-O 3.43Å; T188-K197 VanDerWaalsContact CA-O 3.29Å; T188-K197 WeakPolarHBondContact CA-O 3.2Å; Y189-K197 HydrophobicContact CD1-CB 4.39Å; Y189-K197 HydrophobicContact CE1-CB 3.8Å; Y189-K197 HydrophobicContact CE2-CB 4.45Å; Y189-K197 PolarHBondContact N-O 3.32Å; Y189-K197 PolarHBondContact O-N 3.33Å; D191-K197 HydrophobicContact CB-CD 4.36Å; D191-K197 WeakPolarHBondContact OD2-CE 3.07Å; D191-K197 IonicContact OD2-NZ 3.28Å; D191-K197 PolarHBondContact OD2-NZ 2.68Å
198N67.4Low60.5Low97 Ų9769.4 Ų69.452%0.51936%0.36SS..EExtended strand (participates in β ladder)trans-73.2143.6177.5-84.9-29.8000111.2T200 D201N198-T200 WeakPolarHBondContact CB-OG1 3.29Å; N198-T200 PolarHBondContact O-N 3.29Å; N198-D201 PolarHBondContact O-N 3.27Å
199I65.1Low59.5Low4 Ų468.3 Ų68.32%0.02136%0.355CS..Hα-helixtrans-67-16.3178.9-71.7176.1000112.4L181 V183 E186 T187 Y189 D201 L202 V203L181-I199 HydrophobicContact CB-CG2 4.46Å; V183-I199 HydrophobicContact CB-CD1 4.13Å; V183-I199 HydrophobicContact CG2-CD1 4.22Å; V183-I199 HydrophobicContact CG2-CG2 3.97Å; E186-I199 WeakPolarHBondContact O-CD1 3.49Å; T187-I199 WeakPolarHBondContact O-CB 3.33Å; T187-I199 VanDerWaalsContact O-CG1 3.23Å; T187-I199 WeakPolarHBondContact O-CG1 3.36Å; T187-I199 PolarHBondContact O-N 2.97Å; Y189-I199 HydrophobicContact CD1-CG1 4.24Å; I199-D201 PolarHBondContact O-N 2.97Å; I199-L202 WeakPolarHBondContact O-CB 3.24Å; I199-L202 PolarHBondContact O-N 3.13Å; I199-L202 VanDerWaalsContact O-N 3.11Å; I199-V203 HydrophobicContact CG2-CG2 3.75Å; I199-V203 WeakPolarHBondContact O-CG2 3.48Å; I199-V203 PolarHBondContact O-N 3.36Å
200T60.9Low58.4Low81 Ų8170.1 Ų70.150%0.49737%0.366SS..Hα-helixtrans-54.3-37.1173.7470000113.2N198 V203 E204N198-T200 WeakPolarHBondContact CB-OG1 3.29Å; N198-T200 PolarHBondContact O-N 3.29Å; T200-V203 PolarHBondContact O-N 3.36Å; T200-E204 PolarHBondContact O-N 3.37Å; T200-E204 VanDerWaalsContact O-N 3.09Å
201D61.3Low57.4Low83 Ų8369.3 Ų69.344%0.44437%0.373SS..Hα-helixtrans-72.5-33.7-179.5-56.7-11.7000111.6N198 I199N198-D201 PolarHBondContact O-N 3.27Å; I199-D201 PolarHBondContact O-N 2.97Å
202L60.3Low56.6Low5 Ų571.8 Ų71.83%0.02639%0.389CS..Hα-helixtrans-71.8-33.8172.7-177.568.8000111I90 V91 I161 P172 V183 Y189 I199 A206I90-L202 HydrophobicContact CG2-CD1 4.03Å; V91-L202 HydrophobicContact CG2-CB 4.49Å; V91-L202 HydrophobicContact CG2-CD1 3.35Å; I161-L202 HydrophobicContact CD1-CD1 4.28Å; I161-L202 HydrophobicContact CD1-CD2 4.33Å; P172-L202 HydrophobicContact CG-CD1 4.31Å; V183-L202 HydrophobicContact CG2-CD2 3.77Å; Y189-L202 HydrophobicContact CE1-CB 4.21Å; I199-L202 WeakPolarHBondContact O-CB 3.24Å; I199-L202 PolarHBondContact O-N 3.13Å; I199-L202 VanDerWaalsContact O-N 3.11Å; L202-A206 WeakPolarHBondContact O-CB 3.4Å; L202-A206 PolarHBondContact O-N 3.43Å; L202-A206 VanDerWaalsContact O-N 3.13Å
203V56.3Low56Low7 Ų773 Ų734%0.04239%0.393CS..Hα-helixtrans-72.2-35.8-179.3173.30000111.7I174 L181 I199 T200 G205 A206 K207I174-V203 HydrophobicContact CD1-CG2 4.01Å; I174-V203 HydrophobicContact CG2-CG2 4.16Å; L181-V203 HydrophobicContact CB-CG2 3.72Å; L181-V203 HydrophobicContact CD1-CB 4.09Å; L181-V203 HydrophobicContact CD1-CG1 3.63Å; L181-V203 HydrophobicContact CD1-CG2 3.86Å; L181-V203 HydrophobicContact CD2-CG1 3.87Å; L181-V203 HydrophobicContact CD2-CG2 3.93Å; L181-V203 HydrophobicContact CG-CG1 4.28Å; L181-V203 HydrophobicContact CG-CG2 4.02Å; I199-V203 HydrophobicContact CG2-CG2 3.75Å; I199-V203 WeakPolarHBondContact O-CG2 3.48Å; I199-V203 PolarHBondContact O-N 3.36Å; T200-V203 PolarHBondContact O-N 3.36Å; V203-G205 VanDerWaalsContact C-N 3.27Å; V203-G205 PolarHBondContact O-N 3.42Å; V203-A206 CarbonylContact O-C 3.58Å; V203-A206 PolarHBondContact O-N 3.2Å; V203-A206 VanDerWaalsContact O-N 3.15Å; V203-K207 HydrophobicContact CG1-CB 4.39Å; V203-K207 HydrophobicContact CG1-CD 4.09Å; V203-K207 HydrophobicContact CG1-CG 3.93Å; V203-K207 WeakPolarHBondContact O-CA 3.5Å; V203-K207 WeakPolarHBondContact O-CB 3.31Å; V203-K207 PolarHBondContact O-N 3.49Å
204E57.1Low55.6Low157 Ų15772.1 Ų72.173%0.73439%0.389SS*.Hα-helixtrans-61.9-37.8178.6-164.8167-17200112T200T200-E204 PolarHBondContact O-N 3.37Å; T200-E204 VanDerWaalsContact O-N 3.09Å
205G52.5Low55Low34 Ų3472.1 Ų72.135%0.35138%0.384SS..Hα-helixtrans-71.4-33.6172.100000114.5V203V203-G205 VanDerWaalsContact C-N 3.27Å; V203-G205 PolarHBondContact O-N 3.42Å
206A50.9Low54.4Low7 Ų774.8 Ų74.86%0.05838%0.384CS..Hα-helixtrans-94.5-16.9-17700000114.8I174 L202 V203 K208 A209 N210I174-A206 HydrophobicContact CD1-CB 3.2Å; I174-A206 HydrophobicContact CG1-CB 4.37Å; L202-A206 WeakPolarHBondContact O-CB 3.4Å; L202-A206 PolarHBondContact O-N 3.43Å; L202-A206 VanDerWaalsContact O-N 3.13Å; V203-A206 CarbonylContact O-C 3.58Å; V203-A206 PolarHBondContact O-N 3.2Å; V203-A206 VanDerWaalsContact O-N 3.15Å; A206-K208 PolarHBondContact O-N 3.43Å; A206-A209 CarbonylContact O-C 3.54Å; A206-A209 WeakPolarHBondContact O-CA 3.2Å; A206-A209 WeakPolarHBondContact O-CB 3.34Å; A206-A209 PolarHBondContact O-N 3.18Å; A206-N210 PolarHBondContact O-N 3.49Å
207K49Very low53.8Low149 Ų14971.8 Ų71.865%0.64838%0.378SS*.Hα-helixtrans-58.8-37.7179.4-125.7175.1175.1176.40111.1V203 A209V203-K207 HydrophobicContact CG1-CB 4.39Å; V203-K207 HydrophobicContact CG1-CD 4.09Å; V203-K207 HydrophobicContact CG1-CG 3.93Å; V203-K207 WeakPolarHBondContact O-CA 3.5Å; V203-K207 WeakPolarHBondContact O-CB 3.31Å; V203-K207 PolarHBondContact O-N 3.49Å; K207-A209 VanDerWaalsContact C-N 3.34Å
208K47.5Very low53.5Low154 Ų15470.8 Ų70.867%0.6738%0.376SS*.Hα-helixtrans-70-28.4173.8-74.6-178.3178.8172.50112.8A206 V212A206-K208 PolarHBondContact O-N 3.43Å; K208-V212 VanDerWaalsContact O-CG2 3.3Å; K208-V212 WeakPolarHBondContact O-CG2 3.5Å
209A42.2Very low53.1Low13 Ų1368.6 Ų68.611%0.10737%0.372CS..Hα-helixtrans-86.8-31.5179.800000113.4L166 F171 A206 K207 V212 L213L166-A209 WeakPolarHBondContact CD2-O 3.45Å; F171-A209 HydrophobicContact CD1-CB 3.45Å; F171-A209 VanDerWaalsContact CD1-CB 3.45Å; F171-A209 HydrophobicContact CE1-CB 3.51Å; F171-A209 HydrophobicContact CG-CB 4.19Å; F171-A209 HydrophobicContact CZ-CB 4.27Å; A206-A209 CarbonylContact O-C 3.54Å; A206-A209 WeakPolarHBondContact O-CA 3.2Å; A206-A209 WeakPolarHBondContact O-CB 3.34Å; A206-A209 PolarHBondContact O-N 3.18Å; K207-A209 VanDerWaalsContact C-N 3.34Å; A209-V212 WeakPolarHBondContact O-CB 3.5Å; A209-V212 PolarHBondContact O-N 3.06Å; A209-V212 VanDerWaalsContact O-N 3.14Å; A209-L213 PolarHBondContact O-N 3.04Å; A209-L213 VanDerWaalsContact O-N 3.13Å
210N44.4Very low53Low59 Ų5973.5 Ų73.532%0.31640%0.396SS..Hα-helixtrans-69.7-37.9179.2-157.128.3000112A206 V212 L213 E214A206-N210 PolarHBondContact O-N 3.49Å; N210-V212 PolarHBondContact O-N 3.2Å; N210-L213 WeakPolarHBondContact O-CB 3.3Å; N210-L213 PolarHBondContact O-N 3.1Å; N210-L213 VanDerWaalsContact O-N 3.08Å; N210-E214 PolarHBondContact O-N 3.38Å
211G44.9Very low53.6Low41 Ų4175 Ų7542%0.42339%0.392SS..Hα-helixtrans-61.4-29.7169.800000113.1A215G211-A215 VanDerWaalsContact O-CB 3.23Å; G211-A215 WeakPolarHBondContact O-CB 3.42Å; G211-A215 PolarHBondContact O-N 3.25Å
212V45.4Very low54.2Low78 Ų7872.9 Ų72.947%0.47338%0.38SS..Hα-helixtrans-72.8-30.2174.81770000111.5L166 K208 A209 N210 R216L166-V212 HydrophobicContact CD1-CG1 4.37Å; L166-V212 HydrophobicContact CD2-CB 4.14Å; L166-V212 HydrophobicContact CD2-CG1 3.98Å; L166-V212 HydrophobicContact CG-CG1 4.46Å; K208-V212 VanDerWaalsContact O-CG2 3.3Å; K208-V212 WeakPolarHBondContact O-CG2 3.5Å; A209-V212 WeakPolarHBondContact O-CB 3.5Å; A209-V212 PolarHBondContact O-N 3.06Å; A209-V212 VanDerWaalsContact O-N 3.14Å; N210-V212 PolarHBondContact O-N 3.2Å; V212-R216 VanDerWaalsContact O-CB 3.3Å; V212-R216 WeakPolarHBondContact O-CB 3.37Å; V212-R216 PolarHBondContact O-N 3.06Å
213L46.8Very low54.7Low36 Ų3678.9 Ų78.919%0.18841%0.406CS..Hα-helixtrans-68.1-47.7175.6-17663.2000111.7L166 A209 N210 R216 Q217L166-L213 HydrophobicContact CB-CD1 4.38Å; L166-L213 HydrophobicContact CD1-CB 4.36Å; L166-L213 HydrophobicContact CD1-CD1 3.87Å; L166-L213 HydrophobicContact CD2-CB 4.17Å; A209-L213 PolarHBondContact O-N 3.04Å; A209-L213 VanDerWaalsContact O-N 3.13Å; N210-L213 WeakPolarHBondContact O-CB 3.3Å; N210-L213 PolarHBondContact O-N 3.1Å; N210-L213 VanDerWaalsContact O-N 3.08Å; L213-R216 PolarHBondContact O-N 3.5Å; L213-Q217 PolarHBondContact O-N 3.22Å
214E52.5Low55.6Low131 Ų13183.4 Ų83.461%0.61243%0.427SS*.Hα-helixtrans-64.1-43.3175.4-68.3-175.1167.100111.4N210 R216 Q217 L218N210-E214 PolarHBondContact O-N 3.38Å; E214-R216 VanDerWaalsContact C-N 3.29Å; E214-R216 PolarHBondContact O-N 3.06Å; E214-Q217 PolarHBondContact O-N 3.14Å; E214-L218 WeakPolarHBondContact O-CB 3.46Å; E214-L218 PolarHBondContact O-N 3.45Å
215A49.4Very low56.7Low56 Ų5676 Ų7646%0.46339%0.393SS..Hα-helixtrans-61.7-34.5175.900000112.8G211 A219G211-A215 VanDerWaalsContact O-CB 3.23Å; G211-A215 WeakPolarHBondContact O-CB 3.42Å; G211-A215 PolarHBondContact O-N 3.25Å; A215-A219 WeakPolarHBondContact O-CB 3.32Å; A215-A219 PolarHBondContact O-N 2.85Å
216R50.1Low58.1Low119 Ų11978.5 Ų78.545%0.44939%0.392SS..Hα-helixtrans-76-37.7177.9-168.1177.9-172-149.14.9112.8L166 V212 L213 E214 L218 A219 M220L166-R216 HydrophobicContact CD1-CB 4.18Å; V212-R216 VanDerWaalsContact O-CB 3.3Å; V212-R216 WeakPolarHBondContact O-CB 3.37Å; V212-R216 PolarHBondContact O-N 3.06Å; L213-R216 PolarHBondContact O-N 3.5Å; E214-R216 VanDerWaalsContact C-N 3.29Å; E214-R216 PolarHBondContact O-N 3.06Å; R216-L218 VanDerWaalsContact C-N 3.32Å; R216-A219 PolarHBondContact O-N 3.39Å; R216-M220 WeakPolarHBondContact O-CG 3.4Å; R216-M220 PolarHBondContact O-N 3.38Å
217Q56.7Low59.5Low110 Ų11081.6 Ų81.651%0.51441%0.411SS..Hα-helixtrans-63.3-42.3172.4-73.4-178.4-11.100111.1L213 E214 A219 M220 R221L213-Q217 PolarHBondContact O-N 3.22Å; E214-Q217 PolarHBondContact O-N 3.14Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-M220 PolarHBondContact O-N 2.58Å; Q217-R221 PolarHBondContact O-N 3.47Å; Q217-R221 VanDerWaalsContact O-N 3.16Å
218L63.7Low61.2Low65 Ų6577.8 Ų77.834%0.3440%0.399SS..Hα-helixtrans-57.6-47170.8179.364.6000111.1E214 R216 M220 R221 I222 Y635E214-L218 WeakPolarHBondContact O-CB 3.46Å; E214-L218 PolarHBondContact O-N 3.45Å; R216-L218 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 3.19Å; L218-R221 PolarHBondContact O-N 3.19Å; L218-I222 HydrophobicContact CD1-CD1 4.09Å; L218-I222 HydrophobicContact CD1-CG1 4.44Å; L218-I222 HydrophobicContact CG-CD1 3.81Å; L218-I222 WeakPolarHBondContact O-CB 3.5Å; L218-I222 VanDerWaalsContact O-CG1 3.23Å; L218-I222 WeakPolarHBondContact O-CG1 3.33Å; L218-I222 PolarHBondContact O-N 3.03Å; L218-Y635 HydrophobicContact CD1-CD2 4.16Å; L218-Y635 HydrophobicContact CD1-CE1 4.33Å; L218-Y635 HydrophobicContact CD1-CE2 3.62Å
219A57.8Low63.2Low52 Ų5270.4 Ų70.443%0.4337%0.367SS..Hα-helixtrans-62.2-38.517900000113.7A215 R216 Q217 I222 F223A215-A219 WeakPolarHBondContact O-CB 3.32Å; A215-A219 PolarHBondContact O-N 2.85Å; R216-A219 PolarHBondContact O-N 3.39Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; A219-I222 WeakPolarHBondContact O-CB 3.35Å; A219-I222 PolarHBondContact O-N 3.48Å; A219-F223 WeakPolarHBondContact O-CB 3.49Å; A219-F223 PolarHBondContact O-N 3.18Å
220M64.1Low65.4Low106 Ų10677 Ų7752%0.52239%0.39SS..Hα-helixtrans-66-44.4176.6-74.6-64-57.700112R216 Q217 L218 I222 F223 E224R216-M220 WeakPolarHBondContact O-CG 3.4Å; R216-M220 PolarHBondContact O-N 3.38Å; Q217-M220 PolarHBondContact O-N 2.58Å; L218-M220 PolarHBondContact O-N 3.19Å; M220-I222 VanDerWaalsContact C-N 3.32Å; M220-I222 PolarHBondContact O-N 3.38Å; M220-F223 WeakPolarHBondContact O-CB 3.48Å; M220-F223 PolarHBondContact O-N 3.21Å; M220-F223 VanDerWaalsContact O-N 3.16Å; M220-E224 PolarHBondContact O-N 3.19Å
221R71.8Confident67.6Low114 Ų11478.9 Ų78.943%0.4339%0.393SS..Hα-helixtrans-63.5-39.4175-70.7178.7179.9172.20.1111.8Q217 L218 F223 E224 D225 N634 Y635Q217-R221 PolarHBondContact O-N 3.47Å; Q217-R221 VanDerWaalsContact O-N 3.16Å; L218-R221 PolarHBondContact O-N 3.19Å; R221-F223 VanDerWaalsContact C-N 3.33Å; R221-F223 PolarHBondContact O-N 3.4Å; R221-E224 PolarHBondContact O-N 3.43Å; R221-D225 WeakPolarHBondContact O-CB 3.32Å; R221-D225 PolarHBondContact O-N 2.89Å; R221-N634 HydrophobicContact CB-CB 4.31Å; R221-Y635 HydrophobicContact CB-CD2 4.11Å; R221-Y635 HydrophobicContact CB-CE2 3.71Å; R221-Y635 HydrophobicContact CG-CE2 4.38Å; R221-Y635 PolarHBondContact NH1-OH 3.16Å
222I74.1Confident69.7Low37 Ų3779.4 Ų79.419%0.1938%0.382CS..Hα-helixtrans-60-43.1172-75.7171000111.2L218 A219 M220 D225 Y226 V638L218-I222 HydrophobicContact CD1-CD1 4.09Å; L218-I222 HydrophobicContact CD1-CG1 4.44Å; L218-I222 HydrophobicContact CG-CD1 3.81Å; L218-I222 WeakPolarHBondContact O-CB 3.5Å; L218-I222 VanDerWaalsContact O-CG1 3.23Å; L218-I222 WeakPolarHBondContact O-CG1 3.33Å; L218-I222 PolarHBondContact O-N 3.03Å; A219-I222 WeakPolarHBondContact O-CB 3.35Å; A219-I222 PolarHBondContact O-N 3.48Å; M220-I222 VanDerWaalsContact C-N 3.32Å; M220-I222 PolarHBondContact O-N 3.38Å; I222-D225 PolarHBondContact O-N 3.33Å; I222-Y226 HydrophobicContact CG2-CD2 3.66Å; I222-Y226 HydrophobicContact CG2-CE2 3.46Å; I222-Y226 VanDerWaalsContact CG2-CE2 3.46Å; I222-Y226 WeakPolarHBondContact O-CD2 3.47Å; I222-Y226 PolarHBondContact O-N 3.26Å; I222-V638 HydrophobicContact CD1-CG2 4.31Å; I222-V638 HydrophobicContact CG1-CG1 4.28Å; I222-V638 HydrophobicContact CG1-CG2 3.91Å; I222-V638 HydrophobicContact CG2-CG1 3.94Å
223F72.1Confident71.9Confident131 Ų13176.2 Ų76.258%0.57536%0.362SS*.Hα-helixtrans-64.4-45.7178.5-179.3-96.4000111.6A219 M220 R221 D225 Y226 T227A219-F223 WeakPolarHBondContact O-CB 3.49Å; A219-F223 PolarHBondContact O-N 3.18Å; M220-F223 WeakPolarHBondContact O-CB 3.48Å; M220-F223 PolarHBondContact O-N 3.21Å; M220-F223 VanDerWaalsContact O-N 3.16Å; R221-F223 VanDerWaalsContact C-N 3.33Å; R221-F223 PolarHBondContact O-N 3.4Å; F223-D225 VanDerWaalsContact C-N 3.34Å; F223-D225 PolarHBondContact O-N 2.91Å; F223-Y226 WeakPolarHBondContact O-CB 3.27Å; F223-Y226 PolarHBondContact O-N 2.95Å; F223-T227 HydrophobicContact CD1-CG2 4.01Å; F223-T227 HydrophobicContact CE1-CG2 3.57Å; F223-T227 HydrophobicContact CE2-CG2 4.34Å; F223-T227 HydrophobicContact CZ-CG2 3.76Å; F223-T227 WeakPolarHBondContact O-CG2 3.36Å; F223-T227 PolarHBondContact O-N 3.04Å
224E73.7Confident74.1Confident102 Ų10278.5 Ų78.548%0.47737%0.374SS..Hα-helixtrans-55.5-49.7172.5-76.7175.7170.600111.1M220 R221 Y226 T227 V228M220-E224 PolarHBondContact O-N 3.19Å; R221-E224 PolarHBondContact O-N 3.43Å; E224-Y226 VanDerWaalsContact C-N 3.27Å; E224-Y226 PolarHBondContact O-N 3.32Å; E224-T227 WeakPolarHBondContact CA-OG1 3.46Å; E224-T227 PolarHBondContact O-N 3.46Å; E224-T227 VanDerWaalsContact O-N 3.09Å; E224-T227 PolarHBondContact O-OG1 3.32Å; E224-V228 PolarHBondContact O-N 2.86Å; E224-V228 VanDerWaalsContact O-N 3.14Å
225D80.3Confident75.9Confident3 Ų376 Ų762%0.01636%0.364CS..Hα-helixtrans-56.4-40.2177.2-70.7-12.4000111.8R221 I222 F223 S229 L633 N634 Y635R221-D225 WeakPolarHBondContact O-CB 3.32Å; R221-D225 PolarHBondContact O-N 2.89Å; I222-D225 PolarHBondContact O-N 3.33Å; F223-D225 VanDerWaalsContact C-N 3.34Å; F223-D225 PolarHBondContact O-N 2.91Å; D225-S229 VanDerWaalsContact O-CB 3.26Å; D225-S229 WeakPolarHBondContact O-CB 3.42Å; D225-S229 PolarHBondContact O-N 2.79Å; D225-S229 PolarHBondContact O-OG 2.94Å; D225-L633 HydrophobicContact CB-CD2 3.95Å; D225-N634 WeakPolarHBondContact OD1-CB 3.48Å; D225-N634 PolarHBondContact OD1-N 3.2Å; D225-N634 PolarHBondContact OD1-ND2 3.13Å; D225-N634 PolarHBondContact OD2-N 3.02Å; D225-Y635 PolarHBondContact OD2-N 2.79Å
226Y82Confident77.9Confident86 Ų8674 Ų7434%0.33735%0.348SS..Hα-helixtrans-66.4-45.1174-83-61000113.1I222 F223 E224 V228 S229 W230 I233 V638 T642I222-Y226 HydrophobicContact CG2-CD2 3.66Å; I222-Y226 HydrophobicContact CG2-CE2 3.46Å; I222-Y226 VanDerWaalsContact CG2-CE2 3.46Å; I222-Y226 WeakPolarHBondContact O-CD2 3.47Å; I222-Y226 PolarHBondContact O-N 3.26Å; F223-Y226 WeakPolarHBondContact O-CB 3.27Å; F223-Y226 PolarHBondContact O-N 2.95Å; E224-Y226 VanDerWaalsContact C-N 3.27Å; E224-Y226 PolarHBondContact O-N 3.32Å; Y226-V228 PolarHBondContact O-N 3.45Å; Y226-S229 PolarHBondContact O-N 3.29Å; Y226-W230 WeakPolarHBondContact O-CB 3.4Å; Y226-W230 PolarHBondContact O-N 2.99Å; Y226-I233 HydrophobicContact CD1-CD1 3.7Å; Y226-I233 HydrophobicContact CE1-CD1 3.83Å; Y226-V638 HydrophobicContact CE2-CG1 3.99Å; Y226-T642 HydrophobicContact CE1-CG2 3.98Å; Y226-T642 WeakPolarHBondContact CE1-OG1 3.42Å; Y226-T642 PolarHBondContact OH-OG1 3.23Å
227T81.2Confident80Confident72 Ų7270.5 Ų70.544%0.44234%0.339SS..Hα-helixtrans-61.5-27.2-179.158.50000112.8F223 E224F223-T227 HydrophobicContact CD1-CG2 4.01Å; F223-T227 HydrophobicContact CE1-CG2 3.57Å; F223-T227 HydrophobicContact CE2-CG2 4.34Å; F223-T227 HydrophobicContact CZ-CG2 3.76Å; F223-T227 WeakPolarHBondContact O-CG2 3.36Å; F223-T227 PolarHBondContact O-N 3.04Å; E224-T227 WeakPolarHBondContact CA-OG1 3.46Å; E224-T227 PolarHBondContact O-N 3.46Å; E224-T227 VanDerWaalsContact O-N 3.09Å; E224-T227 PolarHBondContact O-OG1 3.32Å
228V84.4Confident81.7Confident68 Ų6869 Ų6941%0.41234%0.337SS..Hα-helixtrans-88.3-36.9176.1-178.60000111.6E224 Y226 Y231 P631E224-V228 PolarHBondContact O-N 2.86Å; E224-V228 VanDerWaalsContact O-N 3.14Å; Y226-V228 PolarHBondContact O-N 3.45Å; V228-Y231 VanDerWaalsContact O-CE1 3.29Å; V228-Y231 WeakPolarHBondContact O-CE1 3.03Å; V228-P631 HydrophobicContact CG1-CB 3.43Å; V228-P631 VanDerWaalsContact CG1-CB 3.43Å; V228-P631 HydrophobicContact CG1-CG 4.19Å
229S89Confident83Confident0 Ų069.7 Ų69.70%034%0.34CS..Hα-helixtrans-98.1-5.6-171.765.40000116.3D225 Y226 Y231 W232 I233 P639D225-S229 VanDerWaalsContact O-CB 3.26Å; D225-S229 WeakPolarHBondContact O-CB 3.42Å; D225-S229 PolarHBondContact O-N 2.79Å; D225-S229 PolarHBondContact O-OG 2.94Å; Y226-S229 PolarHBondContact O-N 3.29Å; S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-Y231 PolarHBondContact O-N 2.9Å; S229-Y231 VanDerWaalsContact O-N 3.16Å; S229-W232 WeakPolarHBondContact O-CB 3.38Å; S229-W232 PolarHBondContact O-N 2.9Å; S229-I233 WeakPolarHBondContact O-CG1 3.18Å; S229-I233 PolarHBondContact O-N 3.46Å; S229-P639 WeakPolarHBondContact OG-CG 3.26Å
230W88.6Confident84.8Confident151 Ų15167.2 Ų67.257%0.57232%0.319SS*.Hα-helixtrans-53.6-40.6-170.669.4-82.2000114.5Y226 I233 I234Y226-W230 WeakPolarHBondContact O-CB 3.4Å; Y226-W230 PolarHBondContact O-N 2.99Å; W230-I233 WeakPolarHBondContact O-CB 3.19Å; W230-I233 PolarHBondContact O-N 3.26Å; W230-I234 HydrophobicContact CE3-CD1 3.53Å; W230-I234 HydrophobicContact CZ3-CD1 3.66Å; W230-I234 WeakPolarHBondContact O-CG1 3.25Å; W230-I234 PolarHBondContact O-N 3.29Å
231Y90.4Very high86Confident98 Ų9866.3 Ų66.338%0.38432%0.315SS..Hα-helixtrans-69.6-36.5-178.768.7-86.7000111.8V228 S229 I234 I235V228-Y231 VanDerWaalsContact O-CE1 3.29Å; V228-Y231 WeakPolarHBondContact O-CE1 3.03Å; S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-Y231 PolarHBondContact O-N 2.9Å; S229-Y231 VanDerWaalsContact O-N 3.16Å; Y231-I234 PolarHBondContact O-N 3.4Å; Y231-I235 HydrophobicContact CD2-CD1 4.42Å; Y231-I235 WeakPolarHBondContact O-CG1 3.41Å; Y231-I235 PolarHBondContact O-N 2.88Å
232W90.6Very high86.9Confident52 Ų5263.5 Ų63.520%0.19732%0.316CS..Hα-helixtrans-66.3-38.5172.4-68.8118.8000112.1S229 I234 I235 G236 F618 F619 T629S229-W232 WeakPolarHBondContact O-CB 3.38Å; S229-W232 PolarHBondContact O-N 2.9Å; W232-I234 VanDerWaalsContact C-N 3.32Å; W232-I234 PolarHBondContact O-N 3.12Å; W232-I235 HydrophobicContact CE3-CD1 3.89Å; W232-I235 HydrophobicContact CZ3-CD1 4.13Å; W232-I235 PolarHBondContact O-N 3.46Å; W232-G236 PolarHBondContact O-N 3.46Å; W232-F618 HydrophobicContact CB-CE1 4.22Å; W232-F618 AromaticContact CD2-CE1 3.81Å; W232-F618 HydrophobicContact CD2-CE1 3.81Å; W232-F618 HydrophobicContact CD2-CE2 4.44Å; W232-F618 AromaticContact CD2-CZ 3.41Å; W232-F618 HydrophobicContact CD2-CZ 3.41Å; W232-F618 VanDerWaalsContact CD2-CZ 3.41Å; W232-F618 AromaticContact CE2-CZ 3.62Å; W232-F618 HydrophobicContact CE3-CE1 4.05Å; W232-F618 HydrophobicContact CE3-CE2 4.07Å; W232-F618 AromaticContact CE3-CZ 3.43Å; W232-F618 HydrophobicContact CE3-CZ 3.43Å; W232-F618 VanDerWaalsContact CE3-CZ 3.43Å; W232-F618 AromaticContact CG-CE1 3.9Å; W232-F618 HydrophobicContact CG-CE1 3.9Å; W232-F618 AromaticContact CG-CZ 4Å; W232-F618 HydrophobicContact CG-CZ 4Å; W232-F618 HydrophobicContact CH2-CE2 4.23Å; W232-F618 AromaticContact CH2-CZ 3.93Å; W232-F618 HydrophobicContact CH2-CZ 3.93Å; W232-F618 AromaticContact CZ2-CZ 3.9Å; W232-F618 HydrophobicContact CZ2-CZ 3.9Å; W232-F618 AromaticContact CZ3-CE2 3.96Å; W232-F618 HydrophobicContact CZ3-CE2 3.96Å; W232-F618 AromaticContact CZ3-CZ 3.7Å; W232-F618 HydrophobicContact CZ3-CZ 3.7Å; W232-F619 HydrophobicContact CB-CE1 4.38Å; W232-F619 HydrophobicContact CB-CZ 4.11Å; W232-T629 WeakPolarHBondContact CZ2-O 3.32Å
233I91.1Very high87.7Confident11 Ų1164 Ų646%0.05632%0.318CS..Hα-helixtrans-59.4-47173.5-64.6170.7000109.5Y226 S229 W230 I235 G236 L237 P639 T642 V643Y226-I233 HydrophobicContact CD1-CD1 3.7Å; Y226-I233 HydrophobicContact CE1-CD1 3.83Å; S229-I233 WeakPolarHBondContact O-CG1 3.18Å; S229-I233 PolarHBondContact O-N 3.46Å; W230-I233 WeakPolarHBondContact O-CB 3.19Å; W230-I233 PolarHBondContact O-N 3.26Å; I233-I235 PolarHBondContact O-N 3.23Å; I233-G236 PolarHBondContact O-N 3.43Å; I233-L237 HydrophobicContact CG2-CD1 4.27Å; I233-L237 HydrophobicContact CG2-CG 4.49Å; I233-L237 WeakPolarHBondContact O-CG 3.45Å; I233-L237 PolarHBondContact O-N 3.48Å; I233-P639 HydrophobicContact CD1-CB 4.02Å; I233-P639 HydrophobicContact CG1-CB 4.08Å; I233-T642 HydrophobicContact CD1-CG2 4.43Å; I233-T642 HydrophobicContact CG2-CG2 3.95Å; I233-V643 HydrophobicContact CB-CG2 4.3Å; I233-V643 HydrophobicContact CG1-CG2 4.27Å; I233-V643 HydrophobicContact CG2-CG2 4.03Å
234I91.8Very high88.6Confident85 Ų8557.8 Ų57.844%0.43629%0.291SS..Hα-helixtrans-59.6-46177.2-68.7174.4000111.3W230 Y231 W232 G236 L237 V238W230-I234 HydrophobicContact CE3-CD1 3.53Å; W230-I234 HydrophobicContact CZ3-CD1 3.66Å; W230-I234 WeakPolarHBondContact O-CG1 3.25Å; W230-I234 PolarHBondContact O-N 3.29Å; Y231-I234 PolarHBondContact O-N 3.4Å; W232-I234 VanDerWaalsContact C-N 3.32Å; W232-I234 PolarHBondContact O-N 3.12Å; I234-G236 VanDerWaalsContact C-N 3.3Å; I234-G236 PolarHBondContact O-N 2.86Å; I234-L237 PolarHBondContact O-N 3.33Å; I234-L237 VanDerWaalsContact O-N 3.12Å; I234-V238 HydrophobicContact CG2-CG2 4.42Å; I234-V238 WeakPolarHBondContact O-CG2 3.19Å; I234-V238 PolarHBondContact O-N 3.49Å
235I91.8Very high89.2Confident79 Ų7956.3 Ų56.341%0.40529%0.286SS..Hα-helixtrans-57.8-44.9176.3-68.2165.5000110.5Y231 W232 I233 L237 V238 I239Y231-I235 HydrophobicContact CD2-CD1 4.42Å; Y231-I235 WeakPolarHBondContact O-CG1 3.41Å; Y231-I235 PolarHBondContact O-N 2.88Å; W232-I235 HydrophobicContact CE3-CD1 3.89Å; W232-I235 HydrophobicContact CZ3-CD1 4.13Å; W232-I235 PolarHBondContact O-N 3.46Å; I233-I235 PolarHBondContact O-N 3.23Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 2.87Å; I235-V238 PolarHBondContact O-N 3.36Å; I235-I239 HydrophobicContact CG2-CD1 4.03Å; I235-I239 WeakPolarHBondContact O-CG1 3.37Å; I235-I239 PolarHBondContact O-N 2.96Å
236G91.8Very high89.5Confident13 Ų1360.8 Ų60.813%0.13431%0.309CS..Hα-helixtrans-58.6-40.8175.300000113.2W232 I233 I234 I239 A240W232-G236 PolarHBondContact O-N 3.46Å; I233-G236 PolarHBondContact O-N 3.43Å; I234-G236 VanDerWaalsContact C-N 3.3Å; I234-G236 PolarHBondContact O-N 2.86Å; G236-I239 PolarHBondContact O-N 3.05Å; G236-A240 PolarHBondContact O-N 3.46Å
237L92.7Very high89.8Confident46 Ų4657.3 Ų57.324%0.24130%0.296CS..Hα-helixtrans-68.8-36176-65178.2000112.7I233 I234 I235 A240 M241 I650I233-L237 HydrophobicContact CG2-CD1 4.27Å; I233-L237 HydrophobicContact CG2-CG 4.49Å; I233-L237 WeakPolarHBondContact O-CG 3.45Å; I233-L237 PolarHBondContact O-N 3.48Å; I234-L237 PolarHBondContact O-N 3.33Å; I234-L237 VanDerWaalsContact O-N 3.12Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 2.87Å; L237-A240 WeakPolarHBondContact O-CB 3.33Å; L237-A240 PolarHBondContact O-N 2.83Å; L237-M241 PolarHBondContact O-N 3.19Å; L237-I650 HydrophobicContact CB-CD1 3.94Å; L237-I650 HydrophobicContact CD2-CD1 4.06Å; L237-I650 WeakPolarHBondContact O-CD1 3.43Å
238V92.1Very high89.8Confident78 Ų7854.1 Ų54.147%0.47328%0.276SS..Hα-helixtrans-65.8-41.5173.6172.80000110.7I234 I235 A240 M241 A242I234-V238 HydrophobicContact CG2-CG2 4.42Å; I234-V238 WeakPolarHBondContact O-CG2 3.19Å; I234-V238 PolarHBondContact O-N 3.49Å; I235-V238 PolarHBondContact O-N 3.36Å; V238-A240 VanDerWaalsContact C-N 3.33Å; V238-A240 PolarHBondContact O-N 3.24Å; V238-M241 HydrophobicContact CG1-CE 4.5Å; V238-M241 WeakPolarHBondContact O-CB 3.35Å; V238-M241 PolarHBondContact O-N 2.92Å; V238-A242 PolarHBondContact O-N 3.37Å
239I92.9Very high89.6Confident79 Ų7954.3 Ų54.341%0.40527%0.274SS..Hα-helixtrans-60.5-44.1172.9-67.6167.1000110.3I235 G236 M241 A242 M243I235-I239 HydrophobicContact CG2-CD1 4.03Å; I235-I239 WeakPolarHBondContact O-CG1 3.37Å; I235-I239 PolarHBondContact O-N 2.96Å; G236-I239 PolarHBondContact O-N 3.05Å; I239-M241 VanDerWaalsContact C-N 3.31Å; I239-M241 PolarHBondContact O-N 2.97Å; I239-A242 PolarHBondContact O-N 2.97Å; I239-M243 HydrophobicContact CG2-CG 4.36Å; I239-M243 HydrophobicContact CG2-SD 3.89Å; I239-M243 WeakPolarHBondContact O-CB 3.33Å; I239-M243 WeakPolarHBondContact O-CG 3.38Å; I239-M243 PolarHBondContact O-N 3.21Å
240A93.6Very high89.4Confident0 Ų057.6 Ų57.60%029%0.291CS..Hα-helixtrans-60.3-40176.200000112.6G236 L237 V238 S244 V611 S647 I650G236-A240 PolarHBondContact O-N 3.46Å; L237-A240 WeakPolarHBondContact O-CB 3.33Å; L237-A240 PolarHBondContact O-N 2.83Å; V238-A240 VanDerWaalsContact C-N 3.33Å; V238-A240 PolarHBondContact O-N 3.24Å; A240-S244 WeakPolarHBondContact O-CB 3.47Å; A240-S244 PolarHBondContact O-N 3.04Å; A240-S244 PolarHBondContact O-OG 2.85Å; A240-V611 HydrophobicContact CB-CG1 4.36Å; A240-V611 HydrophobicContact CB-CG2 3.85Å; A240-S647 VanDerWaalsContact CB-OG 3.26Å; A240-S647 WeakPolarHBondContact CB-OG 3.48Å; A240-I650 HydrophobicContact CB-CD1 4.46Å
241M90.3Very high89Confident87 Ų8750.6 Ų50.643%0.42927%0.265SS..Hα-helixtrans-63.8-47.8174.2-178.2178.96900111.5L237 V238 I239 M243 S244 L245 I650 F654L237-M241 PolarHBondContact O-N 3.19Å; V238-M241 HydrophobicContact CG1-CE 4.5Å; V238-M241 WeakPolarHBondContact O-CB 3.35Å; V238-M241 PolarHBondContact O-N 2.92Å; I239-M241 VanDerWaalsContact C-N 3.31Å; I239-M241 PolarHBondContact O-N 2.97Å; M241-M243 PolarHBondContact O-N 3.31Å; M241-S244 PolarHBondContact O-N 3.48Å; M241-L245 PolarHBondContact O-N 3.4Å; M241-I650 HydrophobicContact CB-CG2 4.1Å; M241-F654 HydrophobicContact CG-CE2 3.9Å; M241-F654 HydrophobicContact CG-CZ 3.92Å
242A90.9Very high88.3Confident56 Ų5651 Ų5146%0.46327%0.266SS..Hα-helixtrans-62.2-43.4178.100000111.8V238 I239 S244 L245 L246V238-A242 PolarHBondContact O-N 3.37Å; I239-A242 PolarHBondContact O-N 2.97Å; A242-S244 PolarHBondContact O-N 3.41Å; A242-L245 PolarHBondContact O-N 3.31Å; A242-L246 VanDerWaalsContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CB 3.4Å; A242-L246 PolarHBondContact O-N 2.86Å
243M91.5Very high87.8Confident46 Ų4655 Ų5523%0.22729%0.285CS..Hα-helixtrans-63.3-39.1174.3-77.8176.335.500112.5I239 M241 L246 F247 I607 V611I239-M243 HydrophobicContact CG2-CG 4.36Å; I239-M243 HydrophobicContact CG2-SD 3.89Å; I239-M243 WeakPolarHBondContact O-CB 3.33Å; I239-M243 WeakPolarHBondContact O-CG 3.38Å; I239-M243 PolarHBondContact O-N 3.21Å; M241-M243 PolarHBondContact O-N 3.31Å; M243-L246 PolarHBondContact O-N 3.3Å; M243-F247 VanDerWaalsContact O-CB 3.29Å; M243-F247 WeakPolarHBondContact O-CB 3.48Å; M243-F247 PolarHBondContact O-N 2.79Å; M243-I607 HydrophobicContact CE-CG2 4.26Å; M243-V611 HydrophobicContact CE-CG2 3.42Å; M243-V611 VanDerWaalsContact CE-CG2 3.42Å; M243-V611 HydrophobicContact SD-CG2 3.71Å
244S90.4Very high87.3Confident1 Ų158.3 Ų58.31%0.00730%0.302CS..Hα-helixtrans-64.3-43.1176.2-60.80000111.5A240 M241 A242 F247 I248A240-S244 WeakPolarHBondContact O-CB 3.47Å; A240-S244 PolarHBondContact O-N 3.04Å; A240-S244 PolarHBondContact O-OG 2.85Å; M241-S244 PolarHBondContact O-N 3.48Å; A242-S244 PolarHBondContact O-N 3.41Å; S244-F247 PolarHBondContact O-N 2.86Å; S244-I248 WeakPolarHBondContact O-CG1 3.47Å; S244-I248 PolarHBondContact O-N 3.12Å; S244-I248 VanDerWaalsContact O-N 3.11Å
245L85.4Confident86.6Confident71 Ų7154.3 Ų54.337%0.37228%0.282SS..Hα-helixtrans-64.7-46.5175.8-174.569.5000111.2M241 A242 F247 I248 I249 L359M241-L245 PolarHBondContact O-N 3.4Å; A242-L245 PolarHBondContact O-N 3.31Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 3.28Å; L245-I248 PolarHBondContact O-N 3.36Å; L245-I249 HydrophobicContact CG-CD1 4.02Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 2.92Å; L245-L359 HydrophobicContact CD1-CD1 3.75Å
246L87.7Confident86Confident97 Ų9751.8 Ų51.851%0.50828%0.276SS..Hα-helixtrans-57.5-45.9175.8178.663.1000110.9A242 M243 I248 I249 L250A242-L246 VanDerWaalsContact O-CB 3.32Å; A242-L246 WeakPolarHBondContact O-CB 3.4Å; A242-L246 PolarHBondContact O-N 2.86Å; M243-L246 PolarHBondContact O-N 3.3Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 PolarHBondContact O-N 3.48Å; L246-I249 PolarHBondContact O-N 3.08Å; L246-L250 HydrophobicContact CD1-CD1 4.26Å; L246-L250 HydrophobicContact CD1-CG 4.16Å; L246-L250 HydrophobicContact CG-CD1 3.96Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 3.44Å
247F86.9Confident85.6Confident14 Ų1456.3 Ų56.36%0.06130%0.296CS..Hα-helixtrans-58.5-44178.1-175.4-88000111.9M243 S244 L245 L250 L251 M258 M262 L606 I607 F655M243-F247 VanDerWaalsContact O-CB 3.29Å; M243-F247 WeakPolarHBondContact O-CB 3.48Å; M243-F247 PolarHBondContact O-N 2.79Å; S244-F247 PolarHBondContact O-N 2.86Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 3.28Å; F247-L250 PolarHBondContact O-N 3.02Å; F247-L251 HydrophobicContact CD1-CD1 4Å; F247-L251 HydrophobicContact CD1-CG 4.24Å; F247-L251 HydrophobicContact CE1-CD1 3.6Å; F247-L251 HydrophobicContact CE1-CD2 4.35Å; F247-L251 HydrophobicContact CE1-CG 3.9Å; F247-L251 WeakPolarHBondContact O-CG 3.48Å; F247-L251 PolarHBondContact O-N 3.39Å; F247-M258 HydrophobicContact CD2-CE 3.6Å; F247-M258 HydrophobicContact CE1-CE 4.34Å; F247-M258 HydrophobicContact CE2-CE 3.34Å; F247-M258 HydrophobicContact CG-CE 4.22Å; F247-M258 HydrophobicContact CZ-CE 3.75Å; F247-M262 HydrophobicContact CE2-SD 3.97Å; F247-M262 HydrophobicContact CZ-CE 4.25Å; F247-M262 HydrophobicContact CZ-SD 3.65Å; F247-L606 HydrophobicContact CD2-CD2 4.47Å; F247-L606 HydrophobicContact CE2-CD2 4.44Å; F247-I607 HydrophobicContact CB-CD1 4.05Å; F247-I607 HydrophobicContact CB-CG1 4.48Å; F247-I607 HydrophobicContact CD1-CD1 4.36Å; F247-I607 HydrophobicContact CG-CD1 4.08Å; F247-F655 HydrophobicContact CD1-CE1 4.25Å; F247-F655 AromaticContact CD1-CZ 3.67Å; F247-F655 HydrophobicContact CD1-CZ 3.67Å; F247-F655 AromaticContact CE1-CE1 3.8Å; F247-F655 HydrophobicContact CE1-CE1 3.8Å; F247-F655 AromaticContact CE1-CZ 3.4Å; F247-F655 HydrophobicContact CE1-CZ 3.4Å; F247-F655 VanDerWaalsContact CE1-CZ 3.4Å; F247-F655 HydrophobicContact CZ-CZ 4.29Å
248I82.1Confident85.2Confident4 Ų455.4 Ų55.42%0.02129%0.291CS..Hα-helixtrans-65.5-39.6176.7-71.3175.9000111.8S244 L245 L246 L251 L359 F654 Y658S244-I248 WeakPolarHBondContact O-CG1 3.47Å; S244-I248 PolarHBondContact O-N 3.12Å; S244-I248 VanDerWaalsContact O-N 3.11Å; L245-I248 PolarHBondContact O-N 3.36Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 PolarHBondContact O-N 3.48Å; I248-L251 WeakPolarHBondContact O-CB 3.4Å; I248-L251 PolarHBondContact O-N 2.83Å; I248-L359 HydrophobicContact CD1-CD2 4.16Å; I248-F654 HydrophobicContact CD1-CB 3.72Å; I248-F654 HydrophobicContact CD1-CD1 3.96Å; I248-F654 HydrophobicContact CD1-CG 4.2Å; I248-Y658 HydrophobicContact CG2-CD2 4.48Å; I248-Y658 HydrophobicContact CG2-CE2 4.48Å
249I80.8Confident84.7Confident73 Ų7351.8 Ų51.837%0.37427%0.269SS..Hα-helixtrans-65-42.2175.6-67.9168.3000110.3L245 L246 L251 R252 F253L245-I249 HydrophobicContact CG-CD1 4.02Å; L245-I249 WeakPolarHBondContact O-CG1 3.49Å; L245-I249 PolarHBondContact O-N 2.92Å; L246-I249 PolarHBondContact O-N 3.08Å; I249-L251 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 3.38Å; I249-R252 WeakPolarHBondContact O-CB 3.29Å; I249-R252 PolarHBondContact O-N 3.07Å; I249-F253 HydrophobicContact CG2-CE2 3.93Å; I249-F253 WeakPolarHBondContact O-CD2 3.47Å
250L83.6Confident84.3Confident68 Ų6854 Ų5436%0.35627%0.272SS..Hα-helixtrans-64.2-36.8177.7-69.9173.3000112L246 F247 R252 F253 L254 M258L246-L250 HydrophobicContact CD1-CD1 4.26Å; L246-L250 HydrophobicContact CD1-CG 4.16Å; L246-L250 HydrophobicContact CG-CD1 3.96Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 3.44Å; F247-L250 PolarHBondContact O-N 3.02Å; L250-R252 PolarHBondContact O-N 2.87Å; L250-F253 PolarHBondContact O-N 3.27Å; L250-F253 VanDerWaalsContact O-N 3.13Å; L250-L254 PolarHBondContact O-N 3.43Å; L250-M258 HydrophobicContact CB-CE 4.09Å; L250-M258 HydrophobicContact CB-SD 3.5Å; L250-M258 WeakPolarHBondContact CB-SD 3.47Å
251L79.8Confident84Confident5 Ų558.1 Ų58.13%0.02630%0.297CS..Hα-helixtrans-57.8-21.3172.8-78.7178.9000112.7F247 I248 I249 A255 M258F247-L251 HydrophobicContact CD1-CD1 4Å; F247-L251 HydrophobicContact CD1-CG 4.24Å; F247-L251 HydrophobicContact CE1-CD1 3.6Å; F247-L251 HydrophobicContact CE1-CD2 4.35Å; F247-L251 HydrophobicContact CE1-CG 3.9Å; F247-L251 WeakPolarHBondContact O-CG 3.48Å; F247-L251 PolarHBondContact O-N 3.39Å; I248-L251 WeakPolarHBondContact O-CB 3.4Å; I248-L251 PolarHBondContact O-N 2.83Å; I249-L251 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 3.38Å; L251-A255 WeakPolarHBondContact O-CA 3.47Å; L251-A255 WeakPolarHBondContact O-CB 3.5Å; L251-A255 PolarHBondContact O-N 2.91Å; L251-M258 HydrophobicContact CD2-CB 4.32Å; L251-M258 HydrophobicContact CD2-CE 4.1Å; L251-M258 HydrophobicContact CD2-SD 3.98Å; L251-M258 HydrophobicContact CG-CE 4.23Å; L251-M258 HydrophobicContact CG-SD 4.23Å; L251-M258 PolarHBondContact N-SD 3.08Å; L251-M258 VanDerWaalsContact N-SD 3.44Å
252R77.2Confident83.7Confident107 Ų10754.4 Ų54.440%0.40428%0.279SS..Hα-helixtrans-68.5-44.5176.3-167.4-179.4173.9175.3-0.2112.8I249 L250 S349I249-R252 WeakPolarHBondContact O-CB 3.29Å; I249-R252 PolarHBondContact O-N 3.07Å; L250-R252 PolarHBondContact O-N 2.87Å; R252-S349 WeakPolarHBondContact CA-OG 3.44Å; R252-S349 WeakPolarHBondContact CB-OG 3.26Å; R252-S349 PolarHBondContact N-OG 3.38Å
253F78.7Confident83.4Confident136 Ų13652.1 Ų52.160%0.59626%0.259SS*.Hα-helixtrans-93.4-38.1-170.7-57.4-71.3000111.6I249 L250I249-F253 HydrophobicContact CG2-CE2 3.93Å; I249-F253 WeakPolarHBondContact O-CD2 3.47Å; L250-F253 PolarHBondContact O-N 3.27Å; L250-F253 VanDerWaalsContact O-N 3.13Å
254L82.4Confident83.2Confident79 Ų7954.3 Ų54.341%0.41427%0.27SS..Hα-helixtrans-123.522.8-167.4-60.2169.5000112.7L250 G256 I257 M258L250-L254 PolarHBondContact O-N 3.43Å; L254-G256 VanDerWaalsContact C-N 3.25Å; L254-G256 PolarHBondContact O-N 2.96Å; L254-I257 HydrophobicContact CB-CB 4.44Å; L254-I257 HydrophobicContact CD2-CD1 3.75Å; L254-I257 PolarHBondContact O-N 2.91Å; L254-M258 HydrophobicContact CB-CG 4.08Å; L254-M258 WeakPolarHBondContact O-CB 3.26Å; L254-M258 WeakPolarHBondContact O-CG 3.41Å; L254-M258 PolarHBondContact O-N 3.13Å
255A75.4Confident83Confident2 Ų258.2 Ų58.22%0.01729%0.289CS..Hα-helixtrans-42.6-48.7-175.300000114L251 V259 K346L251-A255 WeakPolarHBondContact O-CA 3.47Å; L251-A255 WeakPolarHBondContact O-CB 3.5Å; L251-A255 PolarHBondContact O-N 2.91Å; A255-V259 WeakPolarHBondContact O-CB 3.29Å; A255-V259 VanDerWaalsContact O-CG2 3.23Å; A255-V259 WeakPolarHBondContact O-CG2 3.11Å; A255-V259 PolarHBondContact O-N 3.4Å; A255-K346 HydrophobicContact CB-CB 4.26Å
256G79.3Confident83Confident26 Ų2656 Ų5627%0.26828%0.279SS..Hα-helixtrans-65.7-50.3179.900000112.6L254 M258 V259 W260L254-G256 VanDerWaalsContact C-N 3.25Å; L254-G256 PolarHBondContact O-N 2.96Å; G256-M258 PolarHBondContact O-N 2.95Å; G256-V259 PolarHBondContact O-N 3.23Å; G256-W260 PolarHBondContact O-N 3.42Å; G256-W260 VanDerWaalsContact O-N 3.11Å
257I84.9Confident83.1Confident107 Ų10753.9 Ų53.955%0.54927%0.268SS..Hα-helixtrans-61.4-46.2179.2-66.9163000110L254 V259 W260 V261L254-I257 HydrophobicContact CB-CB 4.44Å; L254-I257 HydrophobicContact CD2-CD1 3.75Å; L254-I257 PolarHBondContact O-N 2.91Å; I257-V259 PolarHBondContact O-N 3.11Å; I257-W260 PolarHBondContact O-N 3.13Å; I257-V261 HydrophobicContact CG2-CG2 4.06Å; I257-V261 WeakPolarHBondContact O-CB 3.47Å; I257-V261 VanDerWaalsContact O-CG2 3.27Å; I257-V261 WeakPolarHBondContact O-CG2 3.5Å; I257-V261 PolarHBondContact O-N 3.38Å
258M82.6Confident83.3Confident27 Ų2758.7 Ų58.713%0.13329%0.293CS..Hα-helixtrans-58.9-45.7178.3-74.7-172.768.800112.2F247 L250 L251 L254 G256 W260 V261 M262F247-M258 HydrophobicContact CD2-CE 3.6Å; F247-M258 HydrophobicContact CE1-CE 4.34Å; F247-M258 HydrophobicContact CE2-CE 3.34Å; F247-M258 HydrophobicContact CG-CE 4.22Å; F247-M258 HydrophobicContact CZ-CE 3.75Å; L250-M258 HydrophobicContact CB-CE 4.09Å; L250-M258 HydrophobicContact CB-SD 3.5Å; L250-M258 WeakPolarHBondContact CB-SD 3.47Å; L251-M258 HydrophobicContact CD2-CB 4.32Å; L251-M258 HydrophobicContact CD2-CE 4.1Å; L251-M258 HydrophobicContact CD2-SD 3.98Å; L251-M258 HydrophobicContact CG-CE 4.23Å; L251-M258 HydrophobicContact CG-SD 4.23Å; L251-M258 PolarHBondContact N-SD 3.08Å; L251-M258 VanDerWaalsContact N-SD 3.44Å; L254-M258 HydrophobicContact CB-CG 4.08Å; L254-M258 WeakPolarHBondContact O-CB 3.26Å; L254-M258 WeakPolarHBondContact O-CG 3.41Å; L254-M258 PolarHBondContact O-N 3.13Å; G256-M258 PolarHBondContact O-N 2.95Å; M258-W260 VanDerWaalsContact C-N 3.34Å; M258-W260 PolarHBondContact O-N 3.07Å; M258-V261 PolarHBondContact O-N 3.44Å; M258-M262 WeakPolarHBondContact O-CB 3.21Å; M258-M262 WeakPolarHBondContact O-CG 3.24Å; M258-M262 PolarHBondContact O-N 2.98Å
259V82.2Confident83.6Confident2 Ų262.4 Ų62.41%0.01232%0.316CS..Hα-helixtrans-60.9-44.3178.1167.40000111.1A255 G256 I257 M262 I263 I342 L599A255-V259 WeakPolarHBondContact O-CB 3.29Å; A255-V259 VanDerWaalsContact O-CG2 3.23Å; A255-V259 WeakPolarHBondContact O-CG2 3.11Å; A255-V259 PolarHBondContact O-N 3.4Å; G256-V259 PolarHBondContact O-N 3.23Å; I257-V259 PolarHBondContact O-N 3.11Å; V259-M262 HydrophobicContact CB-CE 4.46Å; V259-M262 HydrophobicContact CG2-CE 4Å; V259-M262 PolarHBondContact O-N 2.98Å; V259-I263 HydrophobicContact CG1-CD1 3.71Å; V259-I263 WeakPolarHBondContact O-CB 3.49Å; V259-I263 WeakPolarHBondContact O-CD1 3.4Å; V259-I263 WeakPolarHBondContact O-CG1 3.33Å; V259-I263 PolarHBondContact O-N 3.48Å; V259-I342 HydrophobicContact CB-CD1 4.22Å; V259-I342 HydrophobicContact CB-CG1 4.23Å; V259-I342 HydrophobicContact CG1-CD1 3.88Å; V259-I342 HydrophobicContact CG1-CG1 4.05Å; V259-I342 HydrophobicContact CG2-CG1 4.22Å; V259-L599 HydrophobicContact CB-CD2 4.46Å; V259-L599 HydrophobicContact CG1-CD1 4.19Å; V259-L599 HydrophobicContact CG1-CD2 3.63Å; V259-L599 HydrophobicContact CG2-CD1 4.1Å; V259-L599 HydrophobicContact CG2-CD2 4.18Å
260W85.4Confident84Confident126 Ų12660 Ų6048%0.47730%0.304SS..Hα-helixtrans-66.1-43.1176.6-74.9114.5000113.1G256 I257 M258 M262 I263 I264G256-W260 PolarHBondContact O-N 3.42Å; G256-W260 VanDerWaalsContact O-N 3.11Å; I257-W260 PolarHBondContact O-N 3.13Å; M258-W260 VanDerWaalsContact C-N 3.34Å; M258-W260 PolarHBondContact O-N 3.07Å; W260-M262 VanDerWaalsContact C-N 3.32Å; W260-M262 PolarHBondContact O-N 3.32Å; W260-I263 HydrophobicContact CE3-CD1 4.36Å; W260-I263 PolarHBondContact O-N 3.03Å; W260-I264 WeakPolarHBondContact O-CB 3.48Å; W260-I264 VanDerWaalsContact O-CG1 3.28Å; W260-I264 WeakPolarHBondContact O-CG1 3.49Å; W260-I264 PolarHBondContact O-N 3.24Å
261V86.4Confident84.5Confident87 Ų8758.4 Ų58.453%0.52730%0.303SS..Hα-helixtrans-60.3-44.2175.9168.40000110.6I257 M258 I264 M265I257-V261 HydrophobicContact CG2-CG2 4.06Å; I257-V261 WeakPolarHBondContact O-CB 3.47Å; I257-V261 VanDerWaalsContact O-CG2 3.27Å; I257-V261 WeakPolarHBondContact O-CG2 3.5Å; I257-V261 PolarHBondContact O-N 3.38Å; M258-V261 PolarHBondContact O-N 3.44Å; V261-I264 PolarHBondContact O-N 3.44Å; V261-M265 WeakPolarHBondContact O-CB 3.29Å; V261-M265 PolarHBondContact O-N 3.46Å
262M83.8Confident85.1Confident8 Ų865.3 Ų65.34%0.03933%0.33CS..Hα-helixtrans-63-44.6176.6-74-172.5-61.800111.5F247 M258 V259 W260 I264 M265 V266 L602 L606F247-M262 HydrophobicContact CE2-SD 3.97Å; F247-M262 HydrophobicContact CZ-CE 4.25Å; F247-M262 HydrophobicContact CZ-SD 3.65Å; M258-M262 WeakPolarHBondContact O-CB 3.21Å; M258-M262 WeakPolarHBondContact O-CG 3.24Å; M258-M262 PolarHBondContact O-N 2.98Å; V259-M262 HydrophobicContact CB-CE 4.46Å; V259-M262 HydrophobicContact CG2-CE 4Å; V259-M262 PolarHBondContact O-N 2.98Å; W260-M262 VanDerWaalsContact C-N 3.32Å; W260-M262 PolarHBondContact O-N 3.32Å; M262-I264 PolarHBondContact O-N 3.43Å; M262-M265 PolarHBondContact O-N 3Å; M262-V266 WeakPolarHBondContact O-CG2 3.33Å; M262-V266 PolarHBondContact O-N 3.42Å; M262-L602 HydrophobicContact CB-CD2 3.55Å; M262-L602 HydrophobicContact CB-CG 3.97Å; M262-L602 HydrophobicContact CG-CG 4.46Å; M262-L602 HydrophobicContact SD-CG 4.28Å; M262-L606 HydrophobicContact CG-CD1 4.22Å
263I84.7Confident85.7Confident8 Ų861.1 Ų61.14%0.04132%0.32CS..Hα-helixtrans-59.1-48.1176.3-73.1163.7000111.1V259 W260 M265 V266 I267 L331V259-I263 HydrophobicContact CG1-CD1 3.71Å; V259-I263 WeakPolarHBondContact O-CB 3.49Å; V259-I263 WeakPolarHBondContact O-CD1 3.4Å; V259-I263 WeakPolarHBondContact O-CG1 3.33Å; V259-I263 PolarHBondContact O-N 3.48Å; W260-I263 HydrophobicContact CE3-CD1 4.36Å; W260-I263 PolarHBondContact O-N 3.03Å; I263-M265 VanDerWaalsContact C-N 3.34Å; I263-M265 PolarHBondContact O-N 3.31Å; I263-V266 PolarHBondContact O-N 3.05Å; I263-I267 HydrophobicContact CG2-CD1 4.18Å; I263-I267 WeakPolarHBondContact O-CG1 3.35Å; I263-I267 PolarHBondContact O-N 3Å; I263-L331 HydrophobicContact CD1-CD2 3.82Å; I263-L331 HydrophobicContact CG1-CD2 4.01Å; I263-L331 HydrophobicContact CG2-CD1 3.43Å; I263-L331 VanDerWaalsContact CG2-CD1 3.43Å; I263-L331 HydrophobicContact CG2-CD2 3.9Å; I263-L331 HydrophobicContact CG2-CG 4.3Å
264I88.4Confident86.4Confident93 Ų9356.4 Ų56.448%0.47730%0.301SS..Hα-helixtrans-62.9-42.6178.5-69165.3000110.5W260 V261 M262 V266 I267 L268W260-I264 WeakPolarHBondContact O-CB 3.48Å; W260-I264 VanDerWaalsContact O-CG1 3.28Å; W260-I264 WeakPolarHBondContact O-CG1 3.49Å; W260-I264 PolarHBondContact O-N 3.24Å; V261-I264 PolarHBondContact O-N 3.44Å; M262-I264 PolarHBondContact O-N 3.43Å; I264-V266 VanDerWaalsContact C-N 3.32Å; I264-V266 PolarHBondContact O-N 3.25Å; I264-I267 PolarHBondContact O-N 3.46Å; I264-L268 HydrophobicContact CG2-CD1 3.91Å; I264-L268 HydrophobicContact CG2-CG 4.26Å; I264-L268 WeakPolarHBondContact O-CG 3.14Å; I264-L268 PolarHBondContact O-N 3.37Å
265M85.6Confident86.9Confident82 Ų8258.5 Ų58.540%0.40431%0.307SS..Hα-helixtrans-61.7-39179-178.2-98.5-169.500112.1V261 M262 I263 L268 V269V261-M265 WeakPolarHBondContact O-CB 3.29Å; V261-M265 PolarHBondContact O-N 3.46Å; M262-M265 PolarHBondContact O-N 3Å; I263-M265 VanDerWaalsContact C-N 3.34Å; I263-M265 PolarHBondContact O-N 3.31Å; M265-L268 PolarHBondContact O-N 2.92Å; M265-V269 HydrophobicContact CE-CG2 4.08Å; M265-V269 HydrophobicContact CG-CG2 4.47Å; M265-V269 WeakPolarHBondContact O-CB 3.19Å; M265-V269 VanDerWaalsContact O-CG2 3.28Å; M265-V269 WeakPolarHBondContact O-CG2 3.38Å; M265-V269 PolarHBondContact O-N 3.49Å; M265-V269 HydrophobicContact SD-CG2 4.19Å
266V85.9Confident87.6Confident25 Ų2562 Ų6215%0.15232%0.323CS..Hα-helixtrans-61.8-48.9174.81710000111.7M262 I263 I264 L268 V269 L270 I327 L602M262-V266 WeakPolarHBondContact O-CG2 3.33Å; M262-V266 PolarHBondContact O-N 3.42Å; I263-V266 PolarHBondContact O-N 3.05Å; I264-V266 VanDerWaalsContact C-N 3.32Å; I264-V266 PolarHBondContact O-N 3.25Å; V266-L268 VanDerWaalsContact C-N 3.29Å; V266-L268 PolarHBondContact O-N 3.2Å; V266-V269 PolarHBondContact O-N 3.47Å; V266-L270 HydrophobicContact CG1-CD1 3.8Å; V266-L270 HydrophobicContact CG1-CG 4.41Å; V266-L270 WeakPolarHBondContact O-CB 3.4Å; V266-L270 WeakPolarHBondContact O-CG 3.47Å; V266-L270 PolarHBondContact O-N 3.44Å; V266-I327 HydrophobicContact CG1-CD1 4.29Å; V266-L602 HydrophobicContact CG2-CD1 3.18Å; V266-L602 HydrophobicContact CG2-CD2 3.55Å; V266-L602 HydrophobicContact CG2-CG 3.99Å
267I89.7Confident88.2Confident53 Ų5361.1 Ų61.127%0.27231%0.312SS..Hα-helixtrans-57.2-44.8177.4-70.7171.2000110.1I263 I264 G271 E324 I328 L331I263-I267 HydrophobicContact CG2-CD1 4.18Å; I263-I267 WeakPolarHBondContact O-CG1 3.35Å; I263-I267 PolarHBondContact O-N 3Å; I264-I267 PolarHBondContact O-N 3.46Å; I267-G271 PolarHBondContact O-N 3.41Å; I267-E324 WeakPolarHBondContact CA-OE1 3.46Å; I267-E324 VanDerWaalsContact CG2-OE1 3.25Å; I267-E324 WeakPolarHBondContact CG2-OE1 3.26Å; I267-I328 HydrophobicContact CD1-CG1 4.49Å; I267-L331 HydrophobicContact CD1-CD1 4.06Å
268L91.1Very high88.6Confident115 Ų11562 Ų6260%0.60231%0.309SS*.Hα-helixtrans-65.9-42.3178.6-71176000112.8I264 M265 V266 G271 Y272I264-L268 HydrophobicContact CG2-CD1 3.91Å; I264-L268 HydrophobicContact CG2-CG 4.26Å; I264-L268 WeakPolarHBondContact O-CG 3.14Å; I264-L268 PolarHBondContact O-N 3.37Å; M265-L268 PolarHBondContact O-N 2.92Å; V266-L268 VanDerWaalsContact C-N 3.29Å; V266-L268 PolarHBondContact O-N 3.2Å; L268-G271 PolarHBondContact O-N 2.87Å; L268-Y272 WeakPolarHBondContact O-CB 3.41Å; L268-Y272 PolarHBondContact O-N 3.39Å
269V88.3Confident88.9Confident81 Ų8165.4 Ų65.449%0.49133%0.326SS..Hα-helixtrans-66.8-42.4178.9168.90000111M265 V266 Y272 G273M265-V269 HydrophobicContact CE-CG2 4.08Å; M265-V269 HydrophobicContact CG-CG2 4.47Å; M265-V269 WeakPolarHBondContact O-CB 3.19Å; M265-V269 VanDerWaalsContact O-CG2 3.28Å; M265-V269 WeakPolarHBondContact O-CG2 3.38Å; M265-V269 PolarHBondContact O-N 3.49Å; M265-V269 HydrophobicContact SD-CG2 4.19Å; V266-V269 PolarHBondContact O-N 3.47Å; V269-Y272 PolarHBondContact O-N 2.83Å; V269-G273 PolarHBondContact O-N 3.04Å
270L89.3Confident89.2Confident24 Ų2467.5 Ų67.513%0.12634%0.336CS..Hα-helixtrans-66.2-42.6175.6-72174.4000111.1V266 Y272 G273 I274 L320 L323 E324 I327V266-L270 HydrophobicContact CG1-CD1 3.8Å; V266-L270 HydrophobicContact CG1-CG 4.41Å; V266-L270 WeakPolarHBondContact O-CB 3.4Å; V266-L270 WeakPolarHBondContact O-CG 3.47Å; V266-L270 PolarHBondContact O-N 3.44Å; L270-Y272 PolarHBondContact O-N 3.38Å; L270-G273 PolarHBondContact O-N 2.98Å; L270-G273 VanDerWaalsContact O-N 3.16Å; L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 3.42Å; L270-L320 HydrophobicContact CD2-CD2 3.85Å; L270-L323 HydrophobicContact CD2-CD2 4.06Å; L270-E324 WeakPolarHBondContact CB-OE2 3.46Å; L270-E324 WeakPolarHBondContact CD1-OE2 3.46Å; L270-I327 HydrophobicContact CD1-CD1 3.49Å; L270-I327 VanDerWaalsContact CD1-CD1 3.49Å
271G93.1Very high89.3Confident33 Ų3363.8 Ų63.834%0.3432%0.322SS..Hα-helixtrans-58.6-44.8172.500000113I267 L268 G273 I274 F275I267-G271 PolarHBondContact O-N 3.41Å; L268-G271 PolarHBondContact O-N 2.87Å; G271-G273 VanDerWaalsContact C-N 3.35Å; G271-I274 PolarHBondContact O-N 2.66Å; G271-F275 PolarHBondContact O-N 3.23Å
272Y92.4Very high89.4Confident150 Ų15062.3 Ų62.359%0.58832%0.316SS*.Hα-helixtrans-62.6-40.9173.2175.6-97.5000111.8L268 V269 L270 I274 F275 H276L268-Y272 WeakPolarHBondContact O-CB 3.41Å; L268-Y272 PolarHBondContact O-N 3.39Å; V269-Y272 PolarHBondContact O-N 2.83Å; L270-Y272 PolarHBondContact O-N 3.38Å; Y272-I274 PolarHBondContact O-N 3.38Å; Y272-F275 PolarHBondContact O-N 3.4Å; Y272-H276 HydrophobicContact CE1-CB 4.42Å; Y272-H276 WeakPolarHBondContact O-CB 3.32Å; Y272-H276 PolarHBondContact O-N 3.41Å
273G90.1Very high89.5Confident19 Ų1970.1 Ų70.120%0.19635%0.345CS..Hα-helixtrans-60.2-43.8175.200000112.5V269 L270 G271 H276 C277V269-G273 PolarHBondContact O-N 3.04Å; L270-G273 PolarHBondContact O-N 2.98Å; L270-G273 VanDerWaalsContact O-N 3.16Å; G271-G273 VanDerWaalsContact C-N 3.35Å; G273-H276 PolarHBondContact O-N 2.99Å; G273-C277 WeakPolarHBondContact O-CB 3.19Å; G273-C277 PolarHBondContact O-N 2.86Å; G273-C277 PolarHBondContact O-SG 3.13Å
274I92.8Very high89.5Confident38 Ų3870 Ų7020%0.19534%0.344CS..Hα-helixtrans-61.1-46.8174.6-65.9163000110.2L270 G271 Y272 C277 Y278 M317 L320 E324L270-I274 WeakPolarHBondContact O-CG1 3.42Å; L270-I274 PolarHBondContact O-N 3.42Å; G271-I274 PolarHBondContact O-N 2.66Å; Y272-I274 PolarHBondContact O-N 3.38Å; I274-C277 PolarHBondContact O-N 2.97Å; I274-Y278 WeakPolarHBondContact O-CB 3.46Å; I274-Y278 PolarHBondContact O-N 3.47Å; I274-M317 HydrophobicContact CG2-CG 4.18Å; I274-L320 HydrophobicContact CD1-CB 4.48Å; I274-L320 HydrophobicContact CG1-CB 3.74Å; I274-E324 HydrophobicContact CD1-CB 4.26Å
275F94.1Very high88.9Confident123 Ų12373.8 Ų73.854%0.53935%0.352SS..Hα-helixtrans-61.1-45.1177.3176.4-101000112.3G271 Y272 Y278 M279G271-F275 PolarHBondContact O-N 3.23Å; Y272-F275 PolarHBondContact O-N 3.4Å; F275-Y278 WeakPolarHBondContact O-CB 3.34Å; F275-Y278 PolarHBondContact O-N 3.43Å; F275-M279 HydrophobicContact CD1-CG 4.25Å; F275-M279 HydrophobicContact CE1-CG 3.78Å; F275-M279 HydrophobicContact CE2-CG 4.14Å; F275-M279 HydrophobicContact CE2-SD 4.3Å; F275-M279 HydrophobicContact CZ-CG 3.72Å; F275-M279 HydrophobicContact CZ-SD 3.93Å; F275-M279 WeakPolarHBondContact O-CG 3.39Å; F275-M279 PolarHBondContact O-N 3.08Å
276H90.8Very high88.2Confident75 Ų7573.6 Ų73.635%0.34737%0.372SS..Hα-helixtrans-63.6-44.7177.7-175.8-75000111.5Y272 G273 Y278 M279 E280 W313Y272-H276 HydrophobicContact CE1-CB 4.42Å; Y272-H276 WeakPolarHBondContact O-CB 3.32Å; Y272-H276 PolarHBondContact O-N 3.41Å; G273-H276 PolarHBondContact O-N 2.99Å; H276-Y278 VanDerWaalsContact C-N 3.27Å; H276-Y278 PolarHBondContact O-N 3.33Å; H276-M279 PolarHBondContact O-N 3.48Å; H276-E280 PolarHBondContact O-N 3.36Å; H276-W313 AromaticContact ND1-CZ3 3.89Å
277C91.2Very high87.9Confident7 Ų777.7 Ų77.75%0.04739%0.389CS..Hα-helixtrans-61-37.2174.8-70.40000111.9G273 I274 Y281 W313 M317G273-C277 WeakPolarHBondContact O-CB 3.19Å; G273-C277 PolarHBondContact O-N 2.86Å; G273-C277 PolarHBondContact O-SG 3.13Å; I274-C277 PolarHBondContact O-N 2.97Å; C277-Y281 WeakPolarHBondContact O-CB 3.35Å; C277-Y281 PolarHBondContact O-N 3.27Å; C277-W313 HydrophobicContact CB-CE3 4.12Å; C277-M317 HydrophobicContact CB-CB 4.03Å
278Y92.3Very high86.8Confident125 Ų12580.3 Ų80.349%0.4942%0.419SS..Hα-helixtrans-65.9-44.9174.5174.1-97.6000112.5I274 F275 H276 Y281 S282 M317I274-Y278 WeakPolarHBondContact O-CB 3.46Å; I274-Y278 PolarHBondContact O-N 3.47Å; F275-Y278 WeakPolarHBondContact O-CB 3.34Å; F275-Y278 PolarHBondContact O-N 3.43Å; H276-Y278 VanDerWaalsContact C-N 3.27Å; H276-Y278 PolarHBondContact O-N 3.33Å; Y278-Y281 PolarHBondContact O-N 2.9Å; Y278-S282 WeakPolarHBondContact O-CB 3.14Å; Y278-S282 PolarHBondContact O-N 3.23Å; Y278-M317 VanDerWaalsContact CA-CE 3.49Å; Y278-M317 HydrophobicContact CD2-CE 4.18Å
279M90.3Very high85.7Confident100 Ų10077.8 Ų77.849%0.49342%0.421SS..Hα-helixtrans-59.1-47.9176.4-75.2-64.1-60.600111.6F275 H276 S282 R283F275-M279 HydrophobicContact CD1-CG 4.25Å; F275-M279 HydrophobicContact CE1-CG 3.78Å; F275-M279 HydrophobicContact CE2-CG 4.14Å; F275-M279 HydrophobicContact CE2-SD 4.3Å; F275-M279 HydrophobicContact CZ-CG 3.72Å; F275-M279 HydrophobicContact CZ-SD 3.93Å; F275-M279 WeakPolarHBondContact O-CG 3.39Å; F275-M279 PolarHBondContact O-N 3.08Å; H276-M279 PolarHBondContact O-N 3.48Å; M279-S282 PolarHBondContact O-N 3.37Å; M279-R283 WeakPolarHBondContact O-CB 3.38Å; M279-R283 PolarHBondContact O-N 2.98Å
280E88Confident84.9Confident45 Ų4574.1 Ų74.121%0.2140%0.399CS..Hα-helixtrans-70.9-38.2-179.1-158.663.7-166.600112.1H276 S282 R283 L284 W313H276-E280 PolarHBondContact O-N 3.36Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.81Å; E280-R283 PolarHBondContact O-N 3.29Å; E280-L284 HydrophobicContact CG-CD1 4.27Å; E280-L284 WeakPolarHBondContact O-CB 3.35Å; E280-L284 WeakPolarHBondContact O-CG 3.46Å; E280-L284 PolarHBondContact O-N 3.03Å; E280-W313 HydrophobicContact CB-CD2 3.92Å; E280-W313 HydrophobicContact CB-CE3 4.2Å; E280-W313 HydrophobicContact CB-CG 4.27Å; E280-W313 HydrophobicContact CB-CZ2 4.4Å; E280-W313 HydrophobicContact CG-CD2 3.96Å; E280-W313 HydrophobicContact CG-CG 4.32Å; E280-W313 HydrophobicContact CG-CH2 4.44Å; E280-W313 HydrophobicContact CG-CZ2 3.82Å
281Y87.6Confident84.2Confident49 Ų4977 Ų7719%0.19241%0.414CS..Hα-helixtrans-57.8-43.7170.9170.3-96.4000111.8C277 Y278 R285 R310 L314 M317C277-Y281 WeakPolarHBondContact O-CB 3.35Å; C277-Y281 PolarHBondContact O-N 3.27Å; Y278-Y281 PolarHBondContact O-N 2.9Å; Y281-R285 PolarHBondContact O-N 3.49Å; Y281-R310 HydrophobicContact CD2-CG 3.49Å; Y281-R310 VanDerWaalsContact CD2-CG 3.49Å; Y281-R310 HydrophobicContact CE2-CG 3.46Å; Y281-R310 VanDerWaalsContact CE2-CG 3.46Å; Y281-R310 HydrophobicContact CG-CG 4.49Å; Y281-L314 HydrophobicContact CD2-CB 3.97Å; Y281-L314 HydrophobicContact CE2-CB 3.99Å; Y281-L314 HydrophobicContact CE2-CD1 4.22Å; Y281-L314 HydrophobicContact CE2-CD2 4.46Å; Y281-L314 HydrophobicContact CE2-CG 4.45Å; Y281-M317 HydrophobicContact CD1-CE 4.42Å; Y281-M317 HydrophobicContact CG-CE 4.26Å
282S87.9Confident83.2Confident56 Ų5678.3 Ų78.339%0.39242%0.415SS..Hα-helixtrans-70.7-32.7178.1-168.70000112.3Y278 M279 E280 R285Y278-S282 WeakPolarHBondContact O-CB 3.14Å; Y278-S282 PolarHBondContact O-N 3.23Å; M279-S282 PolarHBondContact O-N 3.37Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.81Å; S282-R285 WeakPolarHBondContact O-CB 3.31Å; S282-R285 PolarHBondContact O-N 2.81Å
283R87.1Confident81.9Confident172 Ų17272.5 Ų72.565%0.64940%0.397SS*.Hα-helixtrans-67.3-43.9175.8-178.7-175.6174.61700.8111.9M279 E280 R285M279-R283 WeakPolarHBondContact O-CB 3.38Å; M279-R283 PolarHBondContact O-N 2.98Å; E280-R283 PolarHBondContact O-N 3.29Å; R283-R285 PolarHBondContact O-N 3.45Å
284L83.6Confident80.6Confident6 Ų675.8 Ų75.83%0.03141%0.409CS..SBendtrans-71-10.1178.3-70165.1000112.8E280 G286 E287 S290 R310 W313E280-L284 HydrophobicContact CG-CD1 4.27Å; E280-L284 WeakPolarHBondContact O-CB 3.35Å; E280-L284 WeakPolarHBondContact O-CG 3.46Å; E280-L284 PolarHBondContact O-N 3.03Å; L284-G286 PolarHBondContact O-N 3.46Å; L284-E287 PolarHBondContact O-N 3.19Å; L284-S290 PolarHBondContact O-OG 3.48Å; L284-R310 HydrophobicContact CB-CB 4.32Å; L284-W313 HydrophobicContact CD1-CG 4.39Å
285R76.2Confident79.2Confident171 Ų17180 Ų8065%0.64544%0.437SS*.THydrogen-bonded Turntrans-76.588.4177.2-166.9179.6-172.5-178.41.7110Y281 S282 R283Y281-R285 PolarHBondContact O-N 3.49Å; S282-R285 WeakPolarHBondContact O-CB 3.31Å; S282-R285 PolarHBondContact O-N 2.81Å; R283-R285 PolarHBondContact O-N 3.45Å
286G70.9Confident77.7Confident79 Ų7980 Ų8081%0.81444%0.443SS*.THydrogen-bonded Turntrans129.8-3.517900000114.4L284L284-G286 PolarHBondContact O-N 3.46Å
287E79.6Confident76.3Confident110 Ų11078.5 Ų78.551%0.51444%0.436SS..  trans-87.5131.3178-156.1161.4-165.400110.5L284 G289 S290L284-E287 PolarHBondContact O-N 3.19Å; E287-G289 PolarHBondContact O-N 3.45Å; E287-S290 PolarHBondContact O-N 3.03Å; E287-S290 PolarHBondContact O-OG 2.94Å
288A66.2Low74.8Confident109 Ų10980.1 Ų80.190%0.90145%0.454SS*.THydrogen-bonded Turntrans-68.4123.1-176.600000110.9
289G68.4Low72.6Confident61 Ų6183.8 Ų83.863%0.62947%0.473SS*.THydrogen-bonded Turntrans97.5-4.9179.500000115.8E287E287-G289 PolarHBondContact O-N 3.45Å
290S72.2Confident71.2Confident5 Ų583.4 Ų83.44%0.03547%0.47CS..THydrogen-bonded Turntrans-81.3-13.2176.667.80000114.3L284 E287 R310L284-S290 PolarHBondContact O-OG 3.48Å; E287-S290 PolarHBondContact O-N 3.03Å; E287-S290 PolarHBondContact O-OG 2.94Å; S290-R310 WeakPolarHBondContact O-CB 3.47Å; S290-R310 PolarHBondContact O-N 3.19Å
291D73.6Confident69.5Low84 Ų8487.3 Ų87.345%0.44950%0.498SS..THydrogen-bonded Turntrans-94.56.6-174.2-81.12.8000114.5R310D291-R310 WeakPolarHBondContact OD1-CD 3.5Å; D291-R310 IonicContact OD1-CZ 3.38Å; D291-R310 IonicContact OD1-NE 2.88Å; D291-R310 PolarHBondContact OD1-NE 3.4Å; D291-R310 VanDerWaalsContact OD1-NE 3.11Å; D291-R310 IonicContact OD1-NH1 2.87Å; D291-R310 PolarHBondContact OD1-NH1 2.9Å; D291-R310 IonicContact OD1-NH2 3.4Å; D291-R310 PolarHBondContact OD1-NH2 2.9Å; D291-R310 IonicContact OD2-CZ 3.62Å; D291-R310 IonicContact OD2-NH1 3.79Å; D291-R310 PolarHBondContact OD2-NH1 3.42Å; D291-R310 IonicContact OD2-NH2 2.69Å; D291-R310 PolarHBondContact OD2-NH2 2.74Å
292V72.4Confident68.2Low60 Ų6088.9 Ų88.936%0.36451%0.509SS..  trans-68.2136.8177.2-172.60000110.3D296 L297 L309V292-D296 HydrophobicContact CG1-CB 4.2Å; V292-L297 HydrophobicContact CB-CD1 3.91Å; V292-L297 HydrophobicContact CG1-CD1 3.62Å; V292-L297 HydrophobicContact CG1-CG 4.15Å; V292-L309 WeakPolarHBondContact O-CD2 3.27Å
293S65.2Low66.9Low28 Ų2894.1 Ų94.120%0.19653%0.525CS..  trans-76.1147.2-178.589.80000111.9V295 D296 L297S293-V295 PolarHBondContact O-N 3.5Å; S293-V295 VanDerWaalsContact O-N 3.12Å; S293-D296 WeakPolarHBondContact CB-OD2 3.44Å; S293-D296 PolarHBondContact O-N 3.5Å; S293-D296 VanDerWaalsContact O-N 3.11Å; S293-D296 PolarHBondContact OG-N 3.41Å; S293-D296 PolarHBondContact OG-OD2 2.79Å; S293-L297 PolarHBondContact O-N 3.01Å
294L62.4Low66.1Low88 Ų8894.5 Ų94.546%0.46153%0.527SS..THydrogen-bonded Turntrans-58.8-25.1178-157.279.7000112.9Y306 L309 Q311L294-Y306 HydrophobicContact CD1-CD1 3.43Å; L294-Y306 VanDerWaalsContact CD1-CD1 3.43Å; L294-Y306 HydrophobicContact CD1-CE1 3.5Å; L294-Y306 VanDerWaalsContact CD1-CE1 3.5Å; L294-Y306 HydrophobicContact CG-CE1 4.35Å; L294-L309 HydrophobicContact CD1-CD2 4.27Å; L294-Q311 VanDerWaalsContact N-OE1 3.11Å
295V62.9Low65.6Low128 Ų12896.5 Ų96.578%0.77654%0.539SS*.THydrogen-bonded Turntrans-76.7-35.5179.9-177.90000111.1S293S293-V295 PolarHBondContact O-N 3.5Å; S293-V295 VanDerWaalsContact O-N 3.12Å
296D63.6Low65.4Low123 Ų12390.1 Ų90.166%0.65852%0.515SS*.THydrogen-bonded Turntrans-77.1-23.8-178.4-61.4-41.4000112.9V292 S293V292-D296 HydrophobicContact CG1-CB 4.2Å; S293-D296 WeakPolarHBondContact CB-OD2 3.44Å; S293-D296 PolarHBondContact O-N 3.5Å; S293-D296 VanDerWaalsContact O-N 3.11Å; S293-D296 PolarHBondContact OG-N 3.41Å; S293-D296 PolarHBondContact OG-OD2 2.79Å
297L61.8Low65.8Low42 Ų4290.2 Ų90.222%0.2250%0.497CS..THydrogen-bonded Turntrans-79.7-17.5-178.8-103.8135.3000114.7V292 S293 Q300 V305 L309V292-L297 HydrophobicContact CB-CD1 3.91Å; V292-L297 HydrophobicContact CG1-CD1 3.62Å; V292-L297 HydrophobicContact CG1-CG 4.15Å; S293-L297 PolarHBondContact O-N 3.01Å; L297-Q300 HydrophobicContact CD2-CG 4.44Å; L297-Q300 PolarHBondContact O-NE2 3.1Å; L297-V305 HydrophobicContact CD2-CG1 3.61Å; L297-L309 HydrophobicContact CD1-CD1 3.8Å; L297-L309 HydrophobicContact CD1-CD2 3.58Å; L297-L309 HydrophobicContact CD1-CG 4.11Å
298G59.4Low65.7Low41 Ų4191.2 Ų91.242%0.42350%0.501SS..  trans63.2-176.6-171.400000113.6Q300 Y306G298-Q300 PolarHBondContact O-N 3.37Å; G298-Y306 PolarHBondContact O-OH 2.89Å
299F45.4Very low66.5Low202 Ų20286.4 Ų86.489%0.88646%0.46SS*.  trans-82.1103178.1-152.6-88.2000109.9
300Q59.8Low67.1Low92 Ų9286.4 Ų86.443%0.4344%0.441SS..  trans-96.5140.8176.7-64.7-65.7-28.500109.7L297 G298 D302 Y306L297-Q300 HydrophobicContact CD2-CG 4.44Å; L297-Q300 PolarHBondContact O-NE2 3.1Å; G298-Q300 PolarHBondContact O-N 3.37Å; Q300-D302 VanDerWaalsContact C-N 3.33Å; Q300-Y306 HydrophobicContact CB-CE2 4.31Å; Q300-Y306 PolarHBondContact N-OH 3.38Å; Q300-Y306 WeakPolarHBondContact O-CE2 3.32Å
301T53.8Low67.7Low128 Ų12890 Ų9079%0.78546%0.458SS*.SBendtrans-81.7-12178.850.70000113.5
302D60.7Low68.2Low82 Ų8286.8 Ų86.844%0.43944%0.441SS..  trans-92.8107.5177.3-168.8-11.4000111.1Q300 R304 V305Q300-D302 VanDerWaalsContact C-N 3.33Å; D302-R304 PolarHBondContact O-N 2.87Å; D302-R304 WeakPolarHBondContact OD1-CB 3.28Å; D302-R304 WeakPolarHBondContact OD1-CG 3.41Å; D302-R304 PolarHBondContact OD1-N 2.6Å; D302-V305 HydrophobicContact CB-CG2 4.17Å; D302-V305 PolarHBondContact O-N 2.66Å
303F59.5Low69Low166 Ų16685.6 Ų85.673%0.72843%0.43SS*.Hα-helixtrans-62.9-21.9179.6-72.8-80000114V305 Y306 L307F303-V305 VanDerWaalsContact C-N 3.27Å; F303-V305 PolarHBondContact O-N 3.41Å; F303-Y306 PolarHBondContact O-N 2.95Å; F303-L307 PolarHBondContact O-N 2.93Å
304R69.9Low70Confident180 Ų18087.4 Ų87.468%0.67944%0.437SS*.Hα-helixtrans-65.4-33.4179.8-65.7-177.9175.3-154.4-0.4112D302 Y306 L307 H308D302-R304 PolarHBondContact O-N 2.87Å; D302-R304 WeakPolarHBondContact OD1-CB 3.28Å; D302-R304 WeakPolarHBondContact OD1-CG 3.41Å; D302-R304 PolarHBondContact OD1-N 2.6Å; R304-Y306 VanDerWaalsContact C-N 3.28Å; R304-Y306 PolarHBondContact O-N 3.16Å; R304-L307 PolarHBondContact O-N 3.08Å; R304-L307 VanDerWaalsContact O-N 3.1Å; R304-H308 PolarHBondContact O-CD2 2.95Å; R304-H308 PolarHBondContact O-N 3.37Å
305V73Confident71.2Confident48 Ų4885.3 Ų85.329%0.29143%0.433SS..Hα-helixtrans-58.1-45.9177-178.90000109.6L297 D302 F303 L307 H308 L309L297-V305 HydrophobicContact CD2-CG1 3.61Å; D302-V305 HydrophobicContact CB-CG2 4.17Å; D302-V305 PolarHBondContact O-N 2.66Å; F303-V305 VanDerWaalsContact C-N 3.27Å; F303-V305 PolarHBondContact O-N 3.41Å; V305-L307 VanDerWaalsContact C-N 3.28Å; V305-L307 PolarHBondContact O-N 3.4Å; V305-H308 PolarHBondContact O-N 3.19Å; V305-H308 VanDerWaalsContact O-N 3.11Å; V305-L309 HydrophobicContact CG1-CD1 4.31Å; V305-L309 WeakPolarHBondContact O-CD1 3.44Å
306Y73.1Confident72.4Confident36 Ų3683.4 Ų83.414%0.14141%0.414CS..Hα-helixtrans-63.5-30.4178.1-62.7-68.2000113.5L294 G298 Q300 F303 R304 H308 L309 T312L294-Y306 HydrophobicContact CD1-CD1 3.43Å; L294-Y306 VanDerWaalsContact CD1-CD1 3.43Å; L294-Y306 HydrophobicContact CD1-CE1 3.5Å; L294-Y306 VanDerWaalsContact CD1-CE1 3.5Å; L294-Y306 HydrophobicContact CG-CE1 4.35Å; G298-Y306 PolarHBondContact O-OH 2.89Å; Q300-Y306 HydrophobicContact CB-CE2 4.31Å; Q300-Y306 PolarHBondContact N-OH 3.38Å; Q300-Y306 WeakPolarHBondContact O-CE2 3.32Å; F303-Y306 PolarHBondContact O-N 2.95Å; R304-Y306 VanDerWaalsContact C-N 3.28Å; R304-Y306 PolarHBondContact O-N 3.16Å; Y306-H308 VanDerWaalsContact C-N 3.29Å; Y306-H308 PolarHBondContact O-N 2.86Å; Y306-L309 PolarHBondContact O-N 2.9Å; Y306-T312 WeakPolarHBondContact O-CB 3.32Å; Y306-T312 WeakPolarHBondContact O-CG2 3.48Å; Y306-T312 PolarHBondContact O-OG1 3.21Å
307L78.2Confident73.8Confident82 Ų8279 Ų7943%0.42939%0.39SS..Hα-helixtrans-73.8-17.1176.8-64.4175000113.4F303 R304 V305 W313 F316F303-L307 PolarHBondContact O-N 2.93Å; R304-L307 PolarHBondContact O-N 3.08Å; R304-L307 VanDerWaalsContact O-N 3.1Å; V305-L307 VanDerWaalsContact C-N 3.28Å; V305-L307 PolarHBondContact O-N 3.4Å; L307-W313 HydrophobicContact CD2-CZ2 4.31Å; L307-W313 PolarHBondContact O-NE1 3.14Å; L307-F316 HydrophobicContact CD2-CE2 4.17Å
308H79.1Confident75.2Confident131 Ų13181.2 Ų81.261%0.60640%0.401SS*.THydrogen-bonded Turntrans-86.7-8173.2-71.2-69.8000113.2R304 V305 Y306R304-H308 PolarHBondContact O-CD2 2.95Å; R304-H308 PolarHBondContact O-N 3.37Å; V305-H308 PolarHBondContact O-N 3.19Å; V305-H308 VanDerWaalsContact O-N 3.11Å; Y306-H308 VanDerWaalsContact C-N 3.29Å; Y306-H308 PolarHBondContact O-N 2.86Å
309L81.2Confident76.7Confident8 Ų884.3 Ų84.34%0.04241%0.407CS..  trans-85133.1-180-90.280.7000112.2V292 L294 L297 V305 Y306 Q311 T312V292-L309 WeakPolarHBondContact O-CD2 3.27Å; L294-L309 HydrophobicContact CD1-CD2 4.27Å; L297-L309 HydrophobicContact CD1-CD1 3.8Å; L297-L309 HydrophobicContact CD1-CD2 3.58Å; L297-L309 HydrophobicContact CD1-CG 4.11Å; V305-L309 HydrophobicContact CG1-CD1 4.31Å; V305-L309 WeakPolarHBondContact O-CD1 3.44Å; Y306-L309 PolarHBondContact O-N 2.9Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 3.02Å; L309-T312 WeakPolarHBondContact CB-OG1 3.49Å; L309-T312 PolarHBondContact O-N 3.43Å
310R82.6Confident78.9Confident61 Ų6176.7 Ų76.723%0.2338%0.375CS..Hα-helixtrans-60.6-40.5173.6-172.8-177.373.7-165-6.3112.2Y281 L284 S290 D291 T312 W313 L314Y281-R310 HydrophobicContact CD2-CG 3.49Å; Y281-R310 VanDerWaalsContact CD2-CG 3.49Å; Y281-R310 HydrophobicContact CE2-CG 3.46Å; Y281-R310 VanDerWaalsContact CE2-CG 3.46Å; Y281-R310 HydrophobicContact CG-CG 4.49Å; L284-R310 HydrophobicContact CB-CB 4.32Å; S290-R310 WeakPolarHBondContact O-CB 3.47Å; S290-R310 PolarHBondContact O-N 3.19Å; D291-R310 WeakPolarHBondContact OD1-CD 3.5Å; D291-R310 IonicContact OD1-CZ 3.38Å; D291-R310 IonicContact OD1-NE 2.88Å; D291-R310 PolarHBondContact OD1-NE 3.4Å; D291-R310 VanDerWaalsContact OD1-NE 3.11Å; D291-R310 IonicContact OD1-NH1 2.87Å; D291-R310 PolarHBondContact OD1-NH1 2.9Å; D291-R310 IonicContact OD1-NH2 3.4Å; D291-R310 PolarHBondContact OD1-NH2 2.9Å; D291-R310 IonicContact OD2-CZ 3.62Å; D291-R310 IonicContact OD2-NH1 3.79Å; D291-R310 PolarHBondContact OD2-NH1 3.42Å; D291-R310 IonicContact OD2-NH2 2.69Å; D291-R310 PolarHBondContact OD2-NH2 2.74Å; R310-T312 VanDerWaalsContact C-N 3.28Å; R310-T312 PolarHBondContact O-N 2.98Å; R310-W313 PolarHBondContact O-N 3.26Å; R310-L314 PolarHBondContact O-N 2.83Å
311Q83.3Confident80.5Confident81 Ų8174.4 Ų74.438%0.37937%0.369SS..Hα-helixtrans-62.1-33.5-179.5-73-171.5-13.800112.8L294 L309 L314 A315L294-Q311 VanDerWaalsContact N-OE1 3.11Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 3.02Å; Q311-L314 PolarHBondContact O-N 3.2Å; Q311-A315 WeakPolarHBondContact O-CB 3.25Å; Q311-A315 PolarHBondContact O-N 2.99Å
312T85.1Confident82.4Confident16 Ų1672.9 Ų72.910%0.09836%0.355CS..Hα-helixtrans-66-45.3179.6-51.70000111.5Y306 L309 R310 L314 A315 F316Y306-T312 WeakPolarHBondContact O-CB 3.32Å; Y306-T312 WeakPolarHBondContact O-CG2 3.48Å; Y306-T312 PolarHBondContact O-OG1 3.21Å; L309-T312 WeakPolarHBondContact CB-OG1 3.49Å; L309-T312 PolarHBondContact O-N 3.43Å; R310-T312 VanDerWaalsContact C-N 3.28Å; R310-T312 PolarHBondContact O-N 2.98Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 3.33Å; T312-A315 PolarHBondContact O-N 3.5Å; T312-F316 HydrophobicContact CG2-CD2 4.14Å; T312-F316 HydrophobicContact CG2-CE1 4.24Å; T312-F316 HydrophobicContact CG2-CE2 3.63Å; T312-F316 HydrophobicContact CG2-CZ 3.68Å; T312-F316 WeakPolarHBondContact O-CG 3.35Å; T312-F316 PolarHBondContact O-N 3.42Å
313W88.3Confident83.8Confident35 Ų3572.6 Ų72.613%0.13335%0.353CS..Hα-helixtrans-66.5-35.5177.7-68.9103.8000112.5H276 C277 E280 L284 L307 R310 F316 M317H276-W313 AromaticContact ND1-CZ3 3.89Å; C277-W313 HydrophobicContact CB-CE3 4.12Å; E280-W313 HydrophobicContact CB-CD2 3.92Å; E280-W313 HydrophobicContact CB-CE3 4.2Å; E280-W313 HydrophobicContact CB-CG 4.27Å; E280-W313 HydrophobicContact CB-CZ2 4.4Å; E280-W313 HydrophobicContact CG-CD2 3.96Å; E280-W313 HydrophobicContact CG-CG 4.32Å; E280-W313 HydrophobicContact CG-CH2 4.44Å; E280-W313 HydrophobicContact CG-CZ2 3.82Å; L284-W313 HydrophobicContact CD1-CG 4.39Å; L307-W313 HydrophobicContact CD2-CZ2 4.31Å; L307-W313 PolarHBondContact O-NE1 3.14Å; R310-W313 PolarHBondContact O-N 3.26Å; W313-F316 HydrophobicContact CE3-CD2 4.26Å; W313-M317 WeakPolarHBondContact O-CB 3.29Å; W313-M317 PolarHBondContact O-N 3.3Å
314L87.5Confident85.4Confident65 Ų6565.6 Ų65.634%0.3432%0.323SS..Hα-helixtrans-63.1-45.7171.2-177.466.6000111.5Y281 R310 Q311 T312 M317 I318Y281-L314 HydrophobicContact CD2-CB 3.97Å; Y281-L314 HydrophobicContact CE2-CB 3.99Å; Y281-L314 HydrophobicContact CE2-CD1 4.22Å; Y281-L314 HydrophobicContact CE2-CD2 4.46Å; Y281-L314 HydrophobicContact CE2-CG 4.45Å; R310-L314 PolarHBondContact O-N 2.83Å; Q311-L314 PolarHBondContact O-N 3.2Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 3.33Å; L314-M317 WeakPolarHBondContact O-CB 3.27Å; L314-M317 PolarHBondContact O-N 2.84Å; L314-I318 HydrophobicContact CD1-CD1 4.44Å; L314-I318 HydrophobicContact CG-CD1 4.16Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 PolarHBondContact O-N 2.85Å
315A87.1Confident86.5Confident45 Ų4561.1 Ų61.137%0.37232%0.315SS..Hα-helixtrans-61.7-45.3177.200000111.7Q311 T312 M317 I318 I319Q311-A315 WeakPolarHBondContact O-CB 3.25Å; Q311-A315 PolarHBondContact O-N 2.99Å; T312-A315 PolarHBondContact O-N 3.5Å; A315-M317 VanDerWaalsContact C-N 3.34Å; A315-M317 PolarHBondContact O-N 3.35Å; A315-I318 PolarHBondContact O-N 3.3Å; A315-I319 WeakPolarHBondContact O-CB 3.5Å; A315-I319 VanDerWaalsContact O-CG1 3.25Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 2.96Å
316F88.8Confident87.2Confident87 Ų8762.8 Ų62.838%0.38232%0.322SS..Hα-helixtrans-59.8-42.9174.7-69.7-19.5000112.1L307 T312 W313 I318 I319 L320L307-F316 HydrophobicContact CD2-CE2 4.17Å; T312-F316 HydrophobicContact CG2-CD2 4.14Å; T312-F316 HydrophobicContact CG2-CE1 4.24Å; T312-F316 HydrophobicContact CG2-CE2 3.63Å; T312-F316 HydrophobicContact CG2-CZ 3.68Å; T312-F316 WeakPolarHBondContact O-CG 3.35Å; T312-F316 PolarHBondContact O-N 3.42Å; W313-F316 HydrophobicContact CE3-CD2 4.26Å; F316-I318 PolarHBondContact O-N 3.33Å; F316-I319 PolarHBondContact O-N 3.47Å; F316-L320 WeakPolarHBondContact O-CB 3.17Å; F316-L320 VanDerWaalsContact O-CG 3.24Å; F316-L320 WeakPolarHBondContact O-CG 3.48Å; F316-L320 PolarHBondContact O-N 3.44Å
317M91.8Very high87.8Confident30 Ų3062.1 Ų62.115%0.14832%0.32CS..Hα-helixtrans-59.6-46.3176.5-171.2-165.4-47.500112.2I274 C277 Y278 Y281 W313 L314 A315 S321I274-M317 HydrophobicContact CG2-CG 4.18Å; C277-M317 HydrophobicContact CB-CB 4.03Å; Y278-M317 VanDerWaalsContact CA-CE 3.49Å; Y278-M317 HydrophobicContact CD2-CE 4.18Å; Y281-M317 HydrophobicContact CD1-CE 4.42Å; Y281-M317 HydrophobicContact CG-CE 4.26Å; W313-M317 WeakPolarHBondContact O-CB 3.29Å; W313-M317 PolarHBondContact O-N 3.3Å; L314-M317 WeakPolarHBondContact O-CB 3.27Å; L314-M317 PolarHBondContact O-N 2.84Å; A315-M317 VanDerWaalsContact C-N 3.34Å; A315-M317 PolarHBondContact O-N 3.35Å; M317-S321 VanDerWaalsContact O-CB 3.31Å; M317-S321 WeakPolarHBondContact O-CB 3.43Å; M317-S321 PolarHBondContact O-N 3.48Å; M317-S321 PolarHBondContact O-OG 2.86Å
318I92.1Very high88.3Confident90 Ų9061.3 Ų61.346%0.46232%0.316SS..Hα-helixtrans-63.4-47.6178.1-66.7167.2000110.6L314 A315 F316 L320 S321 I322L314-I318 HydrophobicContact CD1-CD1 4.44Å; L314-I318 HydrophobicContact CG-CD1 4.16Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 PolarHBondContact O-N 2.85Å; A315-I318 PolarHBondContact O-N 3.3Å; F316-I318 PolarHBondContact O-N 3.33Å; I318-L320 PolarHBondContact O-N 3.32Å; I318-S321 PolarHBondContact O-N 2.9Å; I318-I322 HydrophobicContact CG2-CD1 3.82Å; I318-I322 HydrophobicContact CG2-CG1 4.5Å; I318-I322 WeakPolarHBondContact O-CG1 3.45Å; I318-I322 PolarHBondContact O-N 2.83Å
319I90.4Very high88.8Confident105 Ų10559 Ų5954%0.53831%0.308SS..Hα-helixtrans-61-47-179.8-68.3165.7000110.9A315 F316 S321 I322 L323A315-I319 WeakPolarHBondContact O-CB 3.5Å; A315-I319 VanDerWaalsContact O-CG1 3.25Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 2.96Å; F316-I319 PolarHBondContact O-N 3.47Å; I319-S321 VanDerWaalsContact C-N 3.33Å; I319-S321 PolarHBondContact O-N 3.49Å; I319-I322 PolarHBondContact O-N 3.36Å; I319-L323 WeakPolarHBondContact O-CB 3.23Å; I319-L323 PolarHBondContact O-N 3.24Å
320L92.1Very high88.8Confident43 Ų4363.2 Ų63.223%0.22533%0.329CS..Hα-helixtrans-64.2-38.1178.5-71.2173.7000111.7L270 I274 F316 I318 L323 E324L270-L320 HydrophobicContact CD2-CD2 3.85Å; I274-L320 HydrophobicContact CD1-CB 4.48Å; I274-L320 HydrophobicContact CG1-CB 3.74Å; F316-L320 WeakPolarHBondContact O-CB 3.17Å; F316-L320 VanDerWaalsContact O-CG 3.24Å; F316-L320 WeakPolarHBondContact O-CG 3.48Å; F316-L320 PolarHBondContact O-N 3.44Å; I318-L320 PolarHBondContact O-N 3.32Å; L320-L323 PolarHBondContact O-N 3.24Å; L320-E324 WeakPolarHBondContact O-CB 3.4Å; L320-E324 PolarHBondContact O-N 3.17Å
321S93.8Very high88.9Confident43 Ų4361.8 Ų61.830%0.30133%0.326SS..Hα-helixtrans-65.8-43.8177.2-58.50000112.1M317 I318 I319 L323 E324 V325M317-S321 VanDerWaalsContact O-CB 3.31Å; M317-S321 WeakPolarHBondContact O-CB 3.43Å; M317-S321 PolarHBondContact O-N 3.48Å; M317-S321 PolarHBondContact O-OG 2.86Å; I318-S321 PolarHBondContact O-N 2.9Å; I319-S321 VanDerWaalsContact C-N 3.33Å; I319-S321 PolarHBondContact O-N 3.49Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-E324 PolarHBondContact O-N 3.39Å; S321-V325 WeakPolarHBondContact O-CG2 3.49Å; S321-V325 PolarHBondContact O-N 2.85Å; S321-V325 VanDerWaalsContact O-N 3.07Å
322I93.6Very high89.1Confident96 Ų9662.9 Ų62.949%0.49233%0.333SS..Hα-helixtrans-62.5-44.9175.4-68.8168.3000110.2I318 I319 E324 V325 I326I318-I322 HydrophobicContact CG2-CD1 3.82Å; I318-I322 HydrophobicContact CG2-CG1 4.5Å; I318-I322 WeakPolarHBondContact O-CG1 3.45Å; I318-I322 PolarHBondContact O-N 2.83Å; I319-I322 PolarHBondContact O-N 3.36Å; I322-E324 PolarHBondContact O-N 2.82Å; I322-V325 PolarHBondContact O-N 3.5Å; I322-I326 HydrophobicContact CG2-CD1 3.72Å; I322-I326 HydrophobicContact CG2-CG1 4.42Å; I322-I326 VanDerWaalsContact O-CG1 3.28Å; I322-I326 WeakPolarHBondContact O-CG1 3.28Å; I322-I326 PolarHBondContact O-N 2.85Å
323L89.4Confident89.1Confident77 Ų7769.8 Ų69.840%0.40336%0.363SS..Hα-helixtrans-60-45.4178.7-179.163.8000111.6L270 I319 L320 S321 I326 I327L270-L323 HydrophobicContact CD2-CD2 4.06Å; I319-L323 WeakPolarHBondContact O-CB 3.23Å; I319-L323 PolarHBondContact O-N 3.24Å; L320-L323 PolarHBondContact O-N 3.24Å; S321-L323 VanDerWaalsContact C-N 3.34Å; L323-I326 PolarHBondContact O-N 2.95Å; L323-I327 HydrophobicContact CD1-CD1 4.13Å; L323-I327 HydrophobicContact CG-CD1 3.96Å; L323-I327 VanDerWaalsContact O-CG1 3.32Å; L323-I327 WeakPolarHBondContact O-CG1 3.32Å; L323-I327 PolarHBondContact O-N 3.22Å
324E92.3Very high88.8Confident19 Ų1970.2 Ų70.29%0.08937%0.367CS..Hα-helixtrans-60.5-47.1178.1-177.461.9-16700111.7I267 L270 I274 L320 S321 I322 I326 I327 I328I267-E324 WeakPolarHBondContact CA-OE1 3.46Å; I267-E324 VanDerWaalsContact CG2-OE1 3.25Å; I267-E324 WeakPolarHBondContact CG2-OE1 3.26Å; L270-E324 WeakPolarHBondContact CB-OE2 3.46Å; L270-E324 WeakPolarHBondContact CD1-OE2 3.46Å; I274-E324 HydrophobicContact CD1-CB 4.26Å; L320-E324 WeakPolarHBondContact O-CB 3.4Å; L320-E324 PolarHBondContact O-N 3.17Å; S321-E324 PolarHBondContact O-N 3.39Å; I322-E324 PolarHBondContact O-N 2.82Å; E324-I326 PolarHBondContact O-N 3.45Å; E324-I327 PolarHBondContact O-N 3.42Å; E324-I328 HydrophobicContact CG-CD1 4.08Å; E324-I328 WeakPolarHBondContact O-CG1 3.44Å; E324-I328 PolarHBondContact O-N 3.32Å
325V93Very high88.6Confident85 Ų8575 Ų7552%0.51538%0.381SS..Hα-helixtrans-60.7-44.3176.9171.10000111.3S321 I322 I327 I328 L329S321-V325 WeakPolarHBondContact O-CG2 3.49Å; S321-V325 PolarHBondContact O-N 2.85Å; S321-V325 VanDerWaalsContact O-N 3.07Å; I322-V325 PolarHBondContact O-N 3.5Å; V325-I327 VanDerWaalsContact C-N 3.34Å; V325-I327 PolarHBondContact O-N 2.81Å; V325-I328 PolarHBondContact O-N 3.25Å; V325-L329 HydrophobicContact CG1-CD1 3.92Å; V325-L329 HydrophobicContact CG1-CG 4.37Å; V325-L329 WeakPolarHBondContact O-CB 3.22Å; V325-L329 VanDerWaalsContact O-CG 3.29Å; V325-L329 WeakPolarHBondContact O-CG 3.3Å; V325-L329 PolarHBondContact O-N 3.1Å
326I88.5Confident88.3Confident84 Ų8480 Ų8043%0.43139%0.394SS..Hα-helixtrans-60.5-44.8177.4-70.8168.8000110.6I322 L323 E324 L329 L330I322-I326 HydrophobicContact CG2-CD1 3.72Å; I322-I326 HydrophobicContact CG2-CG1 4.42Å; I322-I326 VanDerWaalsContact O-CG1 3.28Å; I322-I326 WeakPolarHBondContact O-CG1 3.28Å; I322-I326 PolarHBondContact O-N 2.85Å; L323-I326 PolarHBondContact O-N 2.95Å; E324-I326 PolarHBondContact O-N 3.45Å; I326-L329 PolarHBondContact O-N 3.37Å; I326-L330 HydrophobicContact CG2-CD1 3.97Å; I326-L330 HydrophobicContact CG2-CG 4.39Å; I326-L330 WeakPolarHBondContact O-CB 3.24Å; I326-L330 VanDerWaalsContact O-CG 3.27Å; I326-L330 WeakPolarHBondContact O-CG 3.29Å; I326-L330 PolarHBondContact O-N 3.08Å
327I86.6Confident88Confident21 Ų2180 Ų8011%0.10839%0.392CS..Hα-helixtrans-61.9-47.6178.9-71.2167.3000110.6V266 L270 L323 E324 V325 L329 L330 L331V266-I327 HydrophobicContact CG1-CD1 4.29Å; L270-I327 HydrophobicContact CD1-CD1 3.49Å; L270-I327 VanDerWaalsContact CD1-CD1 3.49Å; L323-I327 HydrophobicContact CD1-CD1 4.13Å; L323-I327 HydrophobicContact CG-CD1 3.96Å; L323-I327 VanDerWaalsContact O-CG1 3.32Å; L323-I327 WeakPolarHBondContact O-CG1 3.32Å; L323-I327 PolarHBondContact O-N 3.22Å; E324-I327 PolarHBondContact O-N 3.42Å; V325-I327 VanDerWaalsContact C-N 3.34Å; V325-I327 PolarHBondContact O-N 2.81Å; I327-L329 PolarHBondContact O-N 2.94Å; I327-L330 PolarHBondContact O-N 2.98Å; I327-L331 HydrophobicContact CG2-CD1 3.91Å; I327-L331 HydrophobicContact CG2-CG 4.42Å; I327-L331 VanDerWaalsContact O-CG 3.26Å; I327-L331 WeakPolarHBondContact O-CG 3.5Å; I327-L331 PolarHBondContact O-N 2.85Å
328I88.9Confident87.5Confident66 Ų6679.1 Ų79.134%0.33839%0.387SS..Hα-helixtrans-60-45.6178.4-68.5170.3000111I267 E324 V325 L330 L331 I332I267-I328 HydrophobicContact CD1-CG1 4.49Å; E324-I328 HydrophobicContact CG-CD1 4.08Å; E324-I328 WeakPolarHBondContact O-CG1 3.44Å; E324-I328 PolarHBondContact O-N 3.32Å; V325-I328 PolarHBondContact O-N 3.25Å; I328-L330 PolarHBondContact O-N 2.94Å; I328-L331 PolarHBondContact O-N 3.33Å; I328-I332 HydrophobicContact CG2-CD1 3.88Å; I328-I332 WeakPolarHBondContact O-CG1 3.28Å; I328-I332 PolarHBondContact O-N 2.9Å
329L88.1Confident87Confident83 Ų8378.9 Ų78.944%0.43539%0.386SS..Hα-helixtrans-59.8-46.6177.1-72.2172.3000111.4V325 I326 I327 L331 I332 F333V325-L329 HydrophobicContact CG1-CD1 3.92Å; V325-L329 HydrophobicContact CG1-CG 4.37Å; V325-L329 WeakPolarHBondContact O-CB 3.22Å; V325-L329 VanDerWaalsContact O-CG 3.29Å; V325-L329 WeakPolarHBondContact O-CG 3.3Å; V325-L329 PolarHBondContact O-N 3.1Å; I326-L329 PolarHBondContact O-N 3.37Å; I327-L329 PolarHBondContact O-N 2.94Å; L329-L331 VanDerWaalsContact C-N 3.31Å; L329-L331 PolarHBondContact O-N 3.41Å; L329-I332 PolarHBondContact O-N 3.24Å; L329-F333 HydrophobicContact CB-CD2 4.42Å; L329-F333 HydrophobicContact CB-CE2 4.42Å; L329-F333 HydrophobicContact CD2-CE2 4.18Å; L329-F333 WeakPolarHBondContact O-CD2 3.28Å; L329-F333 PolarHBondContact O-N 3.11Å
330L82.7Confident86.6Confident95 Ų9575.1 Ų75.150%0.49737%0.367SS..Hα-helixtrans-58.4-42.5176.8-72.5173.4000111.8I326 I327 I328 I332 L334I326-L330 HydrophobicContact CG2-CD1 3.97Å; I326-L330 HydrophobicContact CG2-CG 4.39Å; I326-L330 WeakPolarHBondContact O-CB 3.24Å; I326-L330 VanDerWaalsContact O-CG 3.27Å; I326-L330 WeakPolarHBondContact O-CG 3.29Å; I326-L330 PolarHBondContact O-N 3.08Å; I327-L330 PolarHBondContact O-N 2.98Å; I328-L330 PolarHBondContact O-N 2.94Å; L330-I332 PolarHBondContact O-N 2.86Å; L330-L334 HydrophobicContact CD2-CD1 4.48Å; L330-L334 WeakPolarHBondContact O-CB 3.3Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.46Å
331L84.2Confident86.1Confident31 Ų3173.1 Ų73.116%0.16236%0.357CS..Hα-helixtrans-63.6-41.1178.4-68.3168.4000112.3I263 I267 I327 I328 L329 R335 I338I263-L331 HydrophobicContact CD1-CD2 3.82Å; I263-L331 HydrophobicContact CG1-CD2 4.01Å; I263-L331 HydrophobicContact CG2-CD1 3.43Å; I263-L331 VanDerWaalsContact CG2-CD1 3.43Å; I263-L331 HydrophobicContact CG2-CD2 3.9Å; I263-L331 HydrophobicContact CG2-CG 4.3Å; I267-L331 HydrophobicContact CD1-CD1 4.06Å; I327-L331 HydrophobicContact CG2-CD1 3.91Å; I327-L331 HydrophobicContact CG2-CG 4.42Å; I327-L331 VanDerWaalsContact O-CG 3.26Å; I327-L331 WeakPolarHBondContact O-CG 3.5Å; I327-L331 PolarHBondContact O-N 2.85Å; I328-L331 PolarHBondContact O-N 3.33Å; L329-L331 VanDerWaalsContact C-N 3.31Å; L329-L331 PolarHBondContact O-N 3.41Å; L331-R335 PolarHBondContact O-N 2.79Å; L331-I338 HydrophobicContact CD2-CD1 3.97Å
332I86.3Confident85.6Confident104 Ų10471.9 Ų71.953%0.53335%0.347SS..Hα-helixtrans-66.4-52178.6-66.6168.3000110.7I328 L329 L330 L334 R335I328-I332 HydrophobicContact CG2-CD1 3.88Å; I328-I332 WeakPolarHBondContact O-CG1 3.28Å; I328-I332 PolarHBondContact O-N 2.9Å; L329-I332 PolarHBondContact O-N 3.24Å; L330-I332 PolarHBondContact O-N 2.86Å; I332-L334 VanDerWaalsContact C-N 3.33Å; I332-L334 PolarHBondContact O-N 3.43Å; I332-R335 PolarHBondContact O-N 3.03Å
333F85.2Confident85.1Confident162 Ų16267.7 Ų67.771%0.71133%0.326SS*.Hα-helixtrans-66.2-35.2-177.3-75.9-66000112.5L329L329-F333 HydrophobicContact CB-CD2 4.42Å; L329-F333 HydrophobicContact CB-CE2 4.42Å; L329-F333 HydrophobicContact CD2-CE2 4.18Å; L329-F333 WeakPolarHBondContact O-CD2 3.28Å; L329-F333 PolarHBondContact O-N 3.11Å
334L81.8Confident84.7Confident44 Ų4464.2 Ų64.223%0.2331%0.308CS..Hα-helixtrans-92.63.7-175.7-56.8-178.8000113.8L330 I332 K336 R337 I338 V591 V595L330-L334 HydrophobicContact CD2-CD1 4.48Å; L330-L334 WeakPolarHBondContact O-CB 3.3Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.46Å; I332-L334 VanDerWaalsContact C-N 3.33Å; I332-L334 PolarHBondContact O-N 3.43Å; L334-K336 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 3.34Å; L334-K336 VanDerWaalsContact O-N 3.1Å; L334-R337 CarbonylContact O-C 3.47Å; L334-R337 WeakPolarHBondContact O-CA 3.34Å; L334-R337 WeakPolarHBondContact O-CB 3.37Å; L334-R337 PolarHBondContact O-N 2.8Å; L334-I338 HydrophobicContact CB-CD1 4.08Å; L334-I338 HydrophobicContact CB-CG1 4.13Å; L334-I338 WeakPolarHBondContact O-CG1 3.27Å; L334-I338 PolarHBondContact O-N 2.83Å; L334-V591 HydrophobicContact CD2-CG1 3.73Å; L334-V595 HydrophobicContact CD1-CG2 4Å
335R84.9Confident84.4Confident164 Ų16463.5 Ų63.562%0.61931%0.305SS*.Hα-helixtrans-45.9-48.5-174.474.1-175.6-178.3165.9-0.5114.7L331 I332 R337 I338 L339L331-R335 PolarHBondContact O-N 2.79Å; I332-R335 PolarHBondContact O-N 3.03Å; R335-R337 VanDerWaalsContact C-N 3.26Å; R335-R337 PolarHBondContact O-N 3.49Å; R335-I338 PolarHBondContact O-N 2.98Å; R335-L339 WeakPolarHBondContact O-CG 3.41Å; R335-L339 PolarHBondContact O-N 3.16Å
336K80.6Confident84Confident150 Ų15062.9 Ų62.965%0.65230%0.295SS*.Hα-helixtrans-67.3-31.5-178.6-69.2-170.8178.3-177.50111.7L334L334-K336 VanDerWaalsContact C-N 3.33Å; L334-K336 PolarHBondContact O-N 3.34Å; L334-K336 VanDerWaalsContact O-N 3.1Å
337R82.1Confident83.9Confident89 Ų8959.9 Ų59.934%0.33628%0.28SS..Hα-helixtrans-82.7-36.4-177.6-58.7-75.4-171.3-159.41.1110.9L334 R335 L339 I340 A341 V591L334-R337 CarbonylContact O-C 3.47Å; L334-R337 WeakPolarHBondContact O-CA 3.34Å; L334-R337 WeakPolarHBondContact O-CB 3.37Å; L334-R337 PolarHBondContact O-N 2.8Å; R335-R337 VanDerWaalsContact C-N 3.26Å; R335-R337 PolarHBondContact O-N 3.49Å; R337-L339 VanDerWaalsContact C-N 3.26Å; R337-L339 PolarHBondContact O-N 2.91Å; R337-I340 WeakPolarHBondContact O-CB 3.5Å; R337-I340 PolarHBondContact O-N 3.41Å; R337-I340 VanDerWaalsContact O-N 3.08Å; R337-A341 PolarHBondContact O-N 2.87Å; R337-V591 HydrophobicContact CB-CG1 3.46Å; R337-V591 VanDerWaalsContact CB-CG1 3.46Å; R337-V591 HydrophobicContact CG-CB 4.48Å; R337-V591 HydrophobicContact CG-CG1 3.65Å
338I80.9Confident84Confident11 Ų1158.9 Ų58.96%0.05627%0.274CS..Hα-helixtrans-57.1-41.9169.9-66.9167.6000110.2L331 L334 R335 I340 A341 I342 V595L331-I338 HydrophobicContact CD2-CD1 3.97Å; L334-I338 HydrophobicContact CB-CD1 4.08Å; L334-I338 HydrophobicContact CB-CG1 4.13Å; L334-I338 WeakPolarHBondContact O-CG1 3.27Å; L334-I338 PolarHBondContact O-N 2.83Å; R335-I338 PolarHBondContact O-N 2.98Å; I338-I340 VanDerWaalsContact C-N 3.32Å; I338-I340 PolarHBondContact O-N 3.43Å; I338-A341 PolarHBondContact O-N 2.77Å; I338-I342 HydrophobicContact CG2-CD1 3.75Å; I338-I342 HydrophobicContact CG2-CG1 4.25Å; I338-I342 WeakPolarHBondContact O-CB 3.33Å; I338-I342 VanDerWaalsContact O-CG1 3.24Å; I338-I342 WeakPolarHBondContact O-CG1 3.49Å; I338-I342 PolarHBondContact O-N 2.81Å; I338-V595 HydrophobicContact CG1-CG1 3.96Å; I338-V595 HydrophobicContact CG1-CG2 4.18Å
339L82.4Confident83.9Confident84 Ų8456 Ų5644%0.4426%0.26SS..Hα-helixtrans-60.5-39.1174.8-68.8172.9000113.1R335 R337 A343 L693R335-L339 WeakPolarHBondContact O-CG 3.41Å; R335-L339 PolarHBondContact O-N 3.16Å; R337-L339 VanDerWaalsContact C-N 3.26Å; R337-L339 PolarHBondContact O-N 2.91Å; L339-A343 PolarHBondContact O-N 3.44Å; L339-L693 HydrophobicContact CB-CD1 4.4Å
340I80.4Confident83.9Confident26 Ų2656.2 Ų56.213%0.13326%0.255CS..Hα-helixtrans-67.4-44.3175.2-61.1167.5000110.5R337 I338 I342 A343 L344 L690 L693R337-I340 WeakPolarHBondContact O-CB 3.5Å; R337-I340 PolarHBondContact O-N 3.41Å; R337-I340 VanDerWaalsContact O-N 3.08Å; I338-I340 VanDerWaalsContact C-N 3.32Å; I338-I340 PolarHBondContact O-N 3.43Å; I340-I342 VanDerWaalsContact C-N 3.34Å; I340-I342 PolarHBondContact O-N 3.04Å; I340-A343 WeakPolarHBondContact O-CB 3.44Å; I340-A343 PolarHBondContact O-N 3.4Å; I340-L344 HydrophobicContact CG2-CD1 4.14Å; I340-L344 PolarHBondContact O-N 2.99Å; I340-L690 HydrophobicContact CG2-CD1 4.45Å; I340-L693 VanDerWaalsContact CA-CD2 3.49Å; I340-L693 HydrophobicContact CB-CD2 4.01Å; I340-L693 HydrophobicContact CG1-CD2 3.47Å; I340-L693 VanDerWaalsContact CG1-CD2 3.47Å; I340-L693 HydrophobicContact CG1-CG 4.12Å
341A82.3Confident84.2Confident1 Ų151.7 Ų51.71%0.00823%0.231CC..Hα-helixtrans-60.7-42.9176.400000111.4R337 I338 A343 L344 I345 V595 T596R337-A341 PolarHBondContact O-N 2.87Å; I338-A341 PolarHBondContact O-N 2.77Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A341-A343 PolarHBondContact O-N 3.24Å; A341-L344 PolarHBondContact O-N 2.84Å; A341-I345 WeakPolarHBondContact O-CB 3.2Å; A341-I345 WeakPolarHBondContact O-CG1 3.33Å; A341-I345 PolarHBondContact O-N 2.89Å; A341-V595 HydrophobicContact CB-CB 4.27Å; A341-V595 HydrophobicContact CB-CG1 3.6Å; A341-T596 HydrophobicContact CB-CG2 4.25Å
342I83.1Confident84.5Confident17 Ų1750.3 Ų50.39%0.08722%0.224CC..Hα-helixtrans-60.4-43.3174.5-69.3166.2000110.8V259 I338 I340 I345 K346V259-I342 HydrophobicContact CB-CD1 4.22Å; V259-I342 HydrophobicContact CB-CG1 4.23Å; V259-I342 HydrophobicContact CG1-CD1 3.88Å; V259-I342 HydrophobicContact CG1-CG1 4.05Å; V259-I342 HydrophobicContact CG2-CG1 4.22Å; I338-I342 HydrophobicContact CG2-CD1 3.75Å; I338-I342 HydrophobicContact CG2-CG1 4.25Å; I338-I342 WeakPolarHBondContact O-CB 3.33Å; I338-I342 VanDerWaalsContact O-CG1 3.24Å; I338-I342 WeakPolarHBondContact O-CG1 3.49Å; I338-I342 PolarHBondContact O-N 2.81Å; I340-I342 VanDerWaalsContact C-N 3.34Å; I340-I342 PolarHBondContact O-N 3.04Å; I342-I345 PolarHBondContact O-N 3.49Å; I342-K346 WeakPolarHBondContact O-CB 3.3Å; I342-K346 PolarHBondContact O-N 2.86Å
343A82.8Confident84.5Confident8 Ų846.2 Ų46.27%0.06621%0.207CC..Hα-helixtrans-62.5-43.9177.700000111.7L339 I340 A341 K346 E347 T689 L690 L693L339-A343 PolarHBondContact O-N 3.44Å; I340-A343 WeakPolarHBondContact O-CB 3.44Å; I340-A343 PolarHBondContact O-N 3.4Å; A341-A343 VanDerWaalsContact C-N 3.34Å; A341-A343 PolarHBondContact O-N 3.24Å; A343-K346 WeakPolarHBondContact O-CB 3.39Å; A343-K346 PolarHBondContact O-N 2.62Å; A343-E347 PolarHBondContact O-N 3.38Å; A343-T689 HydrophobicContact CB-CG2 4.36Å; A343-L690 HydrophobicContact CB-CD1 4.27Å; A343-L693 HydrophobicContact CB-CD2 4.06Å
344L82.2Confident84.6Confident5 Ų543.5 Ų43.53%0.02619%0.193CC..Hα-helixtrans-69.1-40177.3-73171.1000112.7I340 A341 K346 E347 A348 L592 F666 L690I340-L344 HydrophobicContact CG2-CD1 4.14Å; I340-L344 PolarHBondContact O-N 2.99Å; A341-L344 PolarHBondContact O-N 2.84Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 3.05Å; L344-E347 PolarHBondContact O-N 3.37Å; L344-A348 WeakPolarHBondContact O-CB 3.44Å; L344-A348 PolarHBondContact O-N 3.15Å; L344-L592 HydrophobicContact CD1-CD1 3.19Å; L344-L592 HydrophobicContact CD1-CG 4.26Å; L344-F666 HydrophobicContact CD1-CD2 4Å; L344-L690 HydrophobicContact CD2-CD1 4.34Å; L344-L690 HydrophobicContact CD2-CD2 3.9Å; L344-L690 HydrophobicContact CG-CD1 4.39Å
345I84.4Confident84.9Confident4 Ų441.7 Ų41.72%0.02118%0.184CC..Hα-helixtrans-59.2-45172-73167.7000109.1A341 I342 E347 A348 S349 T596 L599 F600 Y658 V662A341-I345 WeakPolarHBondContact O-CB 3.2Å; A341-I345 WeakPolarHBondContact O-CG1 3.33Å; A341-I345 PolarHBondContact O-N 2.89Å; I342-I345 PolarHBondContact O-N 3.49Å; I345-E347 VanDerWaalsContact C-N 3.33Å; I345-E347 PolarHBondContact O-N 3.43Å; I345-A348 WeakPolarHBondContact O-CB 3.33Å; I345-A348 PolarHBondContact O-N 2.93Å; I345-S349 PolarHBondContact O-N 3.27Å; I345-T596 HydrophobicContact CD1-CG2 4.37Å; I345-T596 HydrophobicContact CG1-CG2 4.5Å; I345-L599 HydrophobicContact CD1-CD1 3.6Å; I345-F600 HydrophobicContact CD1-CE1 4.47Å; I345-Y658 HydrophobicContact CB-CE1 4.34Å; I345-Y658 HydrophobicContact CG1-CE1 4.36Å; I345-Y658 HydrophobicContact CG2-CE1 3.87Å; I345-Y658 VanDerWaalsContact CG2-OH 3.29Å; I345-Y658 WeakPolarHBondContact CG2-OH 3.38Å; I345-Y658 PolarHBondContact O-OH 3.33Å; I345-V662 HydrophobicContact CG1-CG2 4.39Å
346K85.8Confident84.9Confident71 Ų7137.9 Ų37.931%0.30917%0.174SC..Hα-helixtrans-60.4-41.9177.9-169.9176.6-174.1173.70112.1A255 I342 A343 L344 S349 R350A255-K346 HydrophobicContact CB-CB 4.26Å; I342-K346 WeakPolarHBondContact O-CB 3.3Å; I342-K346 PolarHBondContact O-N 2.86Å; A343-K346 WeakPolarHBondContact O-CB 3.39Å; A343-K346 PolarHBondContact O-N 2.62Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 3.05Å; K346-S349 PolarHBondContact O-N 3.4Å; K346-R350 PolarHBondContact O-N 3.48Å
347E86.5Confident85.2Confident22 Ų2234 Ų3410%0.10317%0.165CC..Hα-helixtrans-69.8-36.6175.2-66.8-53.9152.200112.9A343 L344 I345 S349 R350 A351 L665 S687A343-E347 PolarHBondContact O-N 3.38Å; L344-E347 PolarHBondContact O-N 3.37Å; I345-E347 VanDerWaalsContact C-N 3.33Å; I345-E347 PolarHBondContact O-N 3.43Å; E347-S349 VanDerWaalsContact C-N 3.33Å; E347-S349 PolarHBondContact O-N 3.5Å; E347-R350 WeakPolarHBondContact O-CB 3.18Å; E347-R350 PolarHBondContact O-N 3.49Å; E347-R350 IonicContact OE1-CZ 3.39Å; E347-R350 IonicContact OE1-NH1 2.69Å; E347-R350 PolarHBondContact OE1-NH1 3.08Å; E347-R350 WeakPolarHBondContact OE2-CD 3.39Å; E347-R350 IonicContact OE2-NH1 3.05Å; E347-A351 PolarHBondContact O-N 3.46Å; E347-L665 HydrophobicContact CB-CD1 4.41Å; E347-S687 VanDerWaalsContact CD-OG 3.22Å; E347-S687 WeakPolarHBondContact CG-OG 3.19Å; E347-S687 WeakPolarHBondContact OE1-CB 3.48Å; E347-S687 PolarHBondContact OE1-OG 3.19Å
348A88.8Confident85.6Confident0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-62.3-40.6172.900000111.6L344 I345 R350 A351 V352 Y658 C661 V662 L665L344-A348 WeakPolarHBondContact O-CB 3.44Å; L344-A348 PolarHBondContact O-N 3.15Å; I345-A348 WeakPolarHBondContact O-CB 3.33Å; I345-A348 PolarHBondContact O-N 2.93Å; A348-R350 VanDerWaalsContact C-N 3.29Å; A348-R350 PolarHBondContact O-N 3.4Å; A348-A351 WeakPolarHBondContact O-CB 3.39Å; A348-A351 PolarHBondContact O-N 3.34Å; A348-V352 WeakPolarHBondContact O-CB 3.41Å; A348-V352 VanDerWaalsContact O-CG2 3.31Å; A348-V352 WeakPolarHBondContact O-CG2 3.37Å; A348-V352 PolarHBondContact O-N 3.07Å; A348-Y658 HydrophobicContact CB-CD1 4.38Å; A348-Y658 HydrophobicContact CB-CE1 3.75Å; A348-C661 HydrophobicContact CB-CB 4.33Å; A348-V662 HydrophobicContact CB-CG2 3.55Å; A348-L665 HydrophobicContact CB-CD1 3.98Å
349S87.1Confident85.9Confident4 Ų429.8 Ų29.83%0.02815%0.149CC..Hα-helixtrans-60.2-41.8174.8-171.40000111.5R252 I345 K346 E347 G353 Y658R252-S349 WeakPolarHBondContact CA-OG 3.44Å; R252-S349 WeakPolarHBondContact CB-OG 3.26Å; R252-S349 PolarHBondContact N-OG 3.38Å; I345-S349 PolarHBondContact O-N 3.27Å; K346-S349 PolarHBondContact O-N 3.4Å; E347-S349 VanDerWaalsContact C-N 3.33Å; E347-S349 PolarHBondContact O-N 3.5Å; S349-G353 PolarHBondContact O-N 3.36Å; S349-Y658 WeakPolarHBondContact CA-OH 3.37Å; S349-Y658 WeakPolarHBondContact CB-OH 3.35Å; S349-Y658 PolarHBondContact N-OH 2.93Å; S349-Y658 VanDerWaalsContact N-OH 3.14Å
350R87.3Confident86.1Confident89 Ų8931.1 Ų31.134%0.33616%0.156SC..Hα-helixtrans-63.2-46.6174.7-70.3171.1171.1-179.5-7.6111.1K346 E347 A348 V352 G353 Y354K346-R350 PolarHBondContact O-N 3.48Å; E347-R350 WeakPolarHBondContact O-CB 3.18Å; E347-R350 PolarHBondContact O-N 3.49Å; E347-R350 IonicContact OE1-CZ 3.39Å; E347-R350 IonicContact OE1-NH1 2.69Å; E347-R350 PolarHBondContact OE1-NH1 3.08Å; E347-R350 WeakPolarHBondContact OE2-CD 3.39Å; E347-R350 IonicContact OE2-NH1 3.05Å; A348-R350 VanDerWaalsContact C-N 3.29Å; A348-R350 PolarHBondContact O-N 3.4Å; R350-V352 PolarHBondContact O-N 2.82Å; R350-G353 CarbonylContact O-C 3.48Å; R350-G353 VanDerWaalsContact O-CA 3.27Å; R350-G353 WeakPolarHBondContact O-CA 3.35Å; R350-G353 PolarHBondContact O-N 3.15Å; R350-Y354 VanDerWaalsContact O-CD2 3.22Å; R350-Y354 WeakPolarHBondContact O-CD2 3.43Å; R350-Y354 PolarHBondContact O-N 2.9Å
351A89.3Confident86.5Confident0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-57.3-48.4177.900000112.1E347 A348 G353 Y354 V355 F470 Y473 L665E347-A351 PolarHBondContact O-N 3.46Å; A348-A351 WeakPolarHBondContact O-CB 3.39Å; A348-A351 PolarHBondContact O-N 3.34Å; A351-G353 VanDerWaalsContact C-N 3.26Å; A351-G353 PolarHBondContact O-N 3.28Å; A351-Y354 PolarHBondContact O-N 3.35Å; A351-Y354 VanDerWaalsContact O-N 3.1Å; A351-V355 PolarHBondContact O-N 2.84Å; A351-F470 HydrophobicContact CB-CD1 4.24Å; A351-Y473 HydrophobicContact CB-CD1 3.3Å; A351-Y473 HydrophobicContact CB-CD2 4.39Å; A351-Y473 HydrophobicContact CB-CE1 3.33Å; A351-Y473 HydrophobicContact CB-CE2 4.41Å; A351-Y473 HydrophobicContact CB-CG 3.86Å; A351-L665 HydrophobicContact CB-CD1 4.15Å
352V89.4Confident86.8Confident1 Ų131.8 Ų31.81%0.00616%0.16CC..Hα-helixtrans-60.1-38.4174.1173.10000110.6A348 R350 Y354 V355 M356 L359 F470 Y658 C661A348-V352 WeakPolarHBondContact O-CB 3.41Å; A348-V352 VanDerWaalsContact O-CG2 3.31Å; A348-V352 WeakPolarHBondContact O-CG2 3.37Å; A348-V352 PolarHBondContact O-N 3.07Å; R350-V352 PolarHBondContact O-N 2.82Å; V352-Y354 VanDerWaalsContact C-N 3.34Å; V352-Y354 PolarHBondContact O-N 3.45Å; V352-V355 CarbonylContact O-C 3.59Å; V352-V355 PolarHBondContact O-N 3.47Å; V352-V355 VanDerWaalsContact O-N 3.09Å; V352-M356 VanDerWaalsContact C-CE 3.45Å; V352-M356 HydrophobicContact CG1-CE 3.63Å; V352-M356 WeakPolarHBondContact O-CA 3.42Å; V352-M356 WeakPolarHBondContact O-CE 3.35Å; V352-M356 PolarHBondContact O-N 2.96Å; V352-L359 HydrophobicContact CG1-CD1 4.15Å; V352-L359 HydrophobicContact CG1-CD2 3.71Å; V352-L359 HydrophobicContact CG1-CG 3.89Å; V352-F470 HydrophobicContact CG2-CE1 3.83Å; V352-F470 HydrophobicContact CG2-CZ 3.92Å; V352-Y658 HydrophobicContact CG2-CD2 4.29Å; V352-C661 HydrophobicContact CG2-CB 4.15Å
353G86.1Confident87Confident18 Ų1836.2 Ų36.219%0.18618%0.184CC..Hα-helixtrans-54-39.2170.300000115.4S349 R350 A351 M356S349-G353 PolarHBondContact O-N 3.36Å; R350-G353 CarbonylContact O-C 3.48Å; R350-G353 VanDerWaalsContact O-CA 3.27Å; R350-G353 WeakPolarHBondContact O-CA 3.35Å; R350-G353 PolarHBondContact O-N 3.15Å; A351-G353 VanDerWaalsContact C-N 3.26Å; A351-G353 PolarHBondContact O-N 3.28Å; G353-M356 WeakPolarHBondContact O-CG 3.42Å
354Y87.6Confident87.3Confident106 Ų10639 Ų3942%0.41620%0.2SC..Hα-helixtrans-81.1-23.9175.5-76.1-83.2000112.6R350 A351 V352 Y473 K479 P480R350-Y354 VanDerWaalsContact O-CD2 3.22Å; R350-Y354 WeakPolarHBondContact O-CD2 3.43Å; R350-Y354 PolarHBondContact O-N 2.9Å; A351-Y354 PolarHBondContact O-N 3.35Å; A351-Y354 VanDerWaalsContact O-N 3.1Å; V352-Y354 VanDerWaalsContact C-N 3.34Å; V352-Y354 PolarHBondContact O-N 3.45Å; Y354-Y473 HydrophobicContact CD2-CD2 4Å; Y354-Y473 AromaticContact CD2-CE2 3.32Å; Y354-Y473 HydrophobicContact CD2-CE2 3.32Å; Y354-Y473 AromaticContact CE2-CE2 3.85Å; Y354-Y473 HydrophobicContact CE2-CE2 3.85Å; Y354-Y473 HydrophobicContact CG-CD2 4.21Å; Y354-Y473 AromaticContact CG-CE2 3.98Å; Y354-Y473 HydrophobicContact CG-CE2 3.98Å; Y354-K479 HydrophobicContact CE1-CB 4.4Å; Y354-P480 HydrophobicContact CD1-CB 4.33Å; Y354-P480 HydrophobicContact CE1-CB 4.2Å
355V88.2Confident87.8Confident5 Ų539.7 Ų39.73%0.0320%0.204CC..  trans-117.854.1-179.9-163.80000110.1A351 V352 C357 S358 A469 F470 P487 L488A351-V355 PolarHBondContact O-N 2.84Å; V352-V355 CarbonylContact O-C 3.59Å; V352-V355 PolarHBondContact O-N 3.47Å; V352-V355 VanDerWaalsContact O-N 3.09Å; V355-C357 PolarHBondContact O-N 2.84Å; V355-C357 VanDerWaalsContact O-N 3.16Å; V355-S358 WeakPolarHBondContact O-CB 3.26Å; V355-S358 PolarHBondContact O-N 3.36Å; V355-S358 PolarHBondContact O-OG 3.33Å; V355-A469 HydrophobicContact CG1-CB 4.14Å; V355-F470 HydrophobicContact CB-CE1 4.34Å; V355-P487 HydrophobicContact CG1-CB 4.39Å; V355-P487 HydrophobicContact CG2-CB 4.48Å; V355-P487 HydrophobicContact CG2-CG 4.37Å; V355-L488 HydrophobicContact CG1-CB 4.44Å
356M86.3Confident88Confident85 Ų8546 Ų4642%0.41923%0.232SC..G310 helixtrans-59.6-31.4-172.3-72.9-92.489.400113.7V352 G353 S358 L359V352-M356 VanDerWaalsContact C-CE 3.45Å; V352-M356 HydrophobicContact CG1-CE 3.63Å; V352-M356 WeakPolarHBondContact O-CA 3.42Å; V352-M356 WeakPolarHBondContact O-CE 3.35Å; V352-M356 PolarHBondContact O-N 2.96Å; G353-M356 WeakPolarHBondContact O-CG 3.42Å; M356-S358 PolarHBondContact O-N 3.16Å; M356-L359 HydrophobicContact CE-CD1 3.78Å; M356-L359 HydrophobicContact CE-CG 4.5Å; M356-L359 WeakPolarHBondContact O-CB 3.32Å; M356-L359 PolarHBondContact O-N 3.45Å
357C87.1Confident88.3Confident68 Ų6849.3 Ų49.346%0.45925%0.247SC..G310 helixtrans-58-21.4173.8-57.80000113.4V355 L359 L360 L488V355-C357 PolarHBondContact O-N 2.84Å; V355-C357 VanDerWaalsContact O-N 3.16Å; C357-L359 PolarHBondContact O-N 2.87Å; C357-L360 PolarHBondContact O-N 2.65Å; C357-L360 VanDerWaalsContact O-N 3.1Å; C357-L488 HydrophobicContact CB-CD2 4.01Å; C357-L488 WeakPolarHBondContact O-CD2 3.4Å
358S90.4Very high88.6Confident0 Ų050.6 Ų50.60%025%0.254CS..G310 helixtrans-60.1-28175.4650000112.8V355 M356 L360 Y361 V657V355-S358 WeakPolarHBondContact O-CB 3.26Å; V355-S358 PolarHBondContact O-N 3.36Å; V355-S358 PolarHBondContact O-OG 3.33Å; M356-S358 PolarHBondContact O-N 3.16Å; S358-L360 PolarHBondContact O-N 3.34Å; S358-Y361 VanDerWaalsContact O-CB 3.24Å; S358-Y361 WeakPolarHBondContact O-CB 3.4Å; S358-Y361 PolarHBondContact O-N 3.47Å; S358-V657 WeakPolarHBondContact O-CG2 3.34Å
359L86.8Confident88.8Confident12 Ų1252.6 Ų52.66%0.06326%0.264CS..G310 helixtrans-70.4-20.3177.5-64-178.1000113.2L245 I248 V352 M356 C357 P362 F654 V657L245-L359 HydrophobicContact CD1-CD1 3.75Å; I248-L359 HydrophobicContact CD1-CD2 4.16Å; V352-L359 HydrophobicContact CG1-CD1 4.15Å; V352-L359 HydrophobicContact CG1-CD2 3.71Å; V352-L359 HydrophobicContact CG1-CG 3.89Å; M356-L359 HydrophobicContact CE-CD1 3.78Å; M356-L359 HydrophobicContact CE-CG 4.5Å; M356-L359 WeakPolarHBondContact O-CB 3.32Å; M356-L359 PolarHBondContact O-N 3.45Å; C357-L359 PolarHBondContact O-N 2.87Å; L359-P362 WeakPolarHBondContact O-CD 3.31Å; L359-F654 HydrophobicContact CB-CD1 4.42Å; L359-F654 HydrophobicContact CB-CE1 4.21Å; L359-F654 HydrophobicContact CD2-CD1 4.23Å; L359-V657 HydrophobicContact CD2-CG1 4.26Å
360L86Confident89Confident112 Ų11254.8 Ų54.859%0.58628%0.279SS*.G310 helixtrans-87-14.5174.9-61.7176.5000112.4C357 S358 P362 L363C357-L360 PolarHBondContact O-N 2.65Å; C357-L360 VanDerWaalsContact O-N 3.1Å; S358-L360 PolarHBondContact O-N 3.34Å; L360-P362 VanDerWaalsContact C-CD 3.42Å; L360-L363 HydrophobicContact CD2-CD1 4.14Å; L360-L363 VanDerWaalsContact O-CB 3.3Å; L360-L363 WeakPolarHBondContact O-CB 3.5Å; L360-L363 PolarHBondContact O-N 3.1Å
361Y89.5Confident89.3Confident12 Ų1255.6 Ų55.65%0.04729%0.289CS..Hα-helixtrans-57.9-37.1-178.1-163.9-85.3000114.4S358 L363 V364 T365 G462 T465 L466 L488 F492S358-Y361 VanDerWaalsContact O-CB 3.24Å; S358-Y361 WeakPolarHBondContact O-CB 3.4Å; S358-Y361 PolarHBondContact O-N 3.47Å; Y361-L363 PolarHBondContact O-N 3.32Å; Y361-L363 VanDerWaalsContact O-N 3.13Å; Y361-V364 WeakPolarHBondContact O-CA 3.13Å; Y361-V364 WeakPolarHBondContact O-CB 3.19Å; Y361-V364 PolarHBondContact O-N 3.38Å; Y361-T365 VanDerWaalsContact CE1-OG1 3.29Å; Y361-T365 WeakPolarHBondContact CE1-OG1 3.27Å; Y361-T365 PolarHBondContact O-N 3.13Å; Y361-T365 PolarHBondContact O-OG1 2.93Å; Y361-G462 WeakPolarHBondContact OH-CA 3.49Å; Y361-G462 PolarHBondContact OH-N 3.5Å; Y361-T465 HydrophobicContact CD2-CG2 4.25Å; Y361-T465 HydrophobicContact CE2-CG2 3.62Å; Y361-L466 HydrophobicContact CD1-CD1 4.38Å; Y361-L466 HydrophobicContact CD1-CG 4.38Å; Y361-L466 HydrophobicContact CG-CD2 4.29Å; Y361-L488 HydrophobicContact CD2-CD1 4.04Å; Y361-L488 HydrophobicContact CD2-CD2 4.16Å; Y361-L488 HydrophobicContact CD2-CG 4.3Å; Y361-F492 HydrophobicContact CE2-CD2 4.07Å
362P88.4Confident89.6Confident28 Ų2856.5 Ų56.518%0.18230%0.296CS..Hα-helixtrans-54.8-29.1173.8-2937.9000114.2L359 L360 T365 F366 G653 V657L359-P362 WeakPolarHBondContact O-CD 3.31Å; L360-P362 VanDerWaalsContact C-CD 3.42Å; P362-T365 PolarHBondContact O-N 3.07Å; P362-F366 VanDerWaalsContact O-CB 3.26Å; P362-F366 WeakPolarHBondContact O-CB 3.41Å; P362-F366 PolarHBondContact O-N 3.4Å; P362-G653 WeakPolarHBondContact CG-O 3.43Å; P362-V657 HydrophobicContact CG-CG2 3.36Å
363L86.9Confident89.8Confident111 Ų11160.3 Ų60.358%0.58132%0.315SS*.Hα-helixtrans-67.4-39.8175.3-58.7175.7000111.3L360 Y361 F366 F367L360-L363 HydrophobicContact CD2-CD1 4.14Å; L360-L363 VanDerWaalsContact O-CB 3.3Å; L360-L363 WeakPolarHBondContact O-CB 3.5Å; L360-L363 PolarHBondContact O-N 3.1Å; Y361-L363 PolarHBondContact O-N 3.32Å; Y361-L363 VanDerWaalsContact O-N 3.13Å; L363-F366 PolarHBondContact O-N 2.95Å; L363-F367 WeakPolarHBondContact O-CB 3.21Å; L363-F367 PolarHBondContact O-N 3.49Å
364V90Very high90.1Very high65 Ų6562.2 Ų62.239%0.39433%0.329SS..Hα-helixtrans-64-46.7175-176.80000110Y361 F366 F367 L368Y361-V364 WeakPolarHBondContact O-CA 3.13Å; Y361-V364 WeakPolarHBondContact O-CB 3.19Å; Y361-V364 PolarHBondContact O-N 3.38Å; V364-F366 PolarHBondContact O-N 3.27Å; V364-F367 PolarHBondContact O-N 3.45Å; V364-L368 HydrophobicContact CG1-CD1 4.17Å; V364-L368 WeakPolarHBondContact O-CG 3.49Å; V364-L368 PolarHBondContact O-N 3.28Å
365T90.9Very high90.4Very high21 Ų2159.6 Ų59.613%0.12932%0.319CS..Hα-helixtrans-60.1-44.8175.4-56.60000111.7Y361 P362 L368 L369 V458 L459Y361-T365 VanDerWaalsContact CE1-OG1 3.29Å; Y361-T365 WeakPolarHBondContact CE1-OG1 3.27Å; Y361-T365 PolarHBondContact O-N 3.13Å; Y361-T365 PolarHBondContact O-OG1 2.93Å; P362-T365 PolarHBondContact O-N 3.07Å; T365-L368 PolarHBondContact O-N 3.13Å; T365-L369 HydrophobicContact CG2-CD1 3.99Å; T365-L369 HydrophobicContact CG2-CG 4.37Å; T365-L369 WeakPolarHBondContact O-CB 3.18Å; T365-L369 VanDerWaalsContact O-CG 3.29Å; T365-L369 WeakPolarHBondContact O-CG 3.38Å; T365-L369 PolarHBondContact O-N 2.89Å; T365-V458 HydrophobicContact CG2-CG1 4.16Å; T365-L459 HydrophobicContact CG2-CD2 4Å
366F89.4Confident90.8Very high137 Ų13763.6 Ų63.660%0.60133%0.333SS*.Hα-helixtrans-61.4-46.7178.7178.5-99.1000111.9P362 L363 V364 L368 L369 C370P362-F366 VanDerWaalsContact O-CB 3.26Å; P362-F366 WeakPolarHBondContact O-CB 3.41Å; P362-F366 PolarHBondContact O-N 3.4Å; L363-F366 PolarHBondContact O-N 2.95Å; V364-F366 PolarHBondContact O-N 3.27Å; F366-L368 PolarHBondContact O-N 3.4Å; F366-L369 PolarHBondContact O-N 3.2Å; F366-C370 VanDerWaalsContact CE1-SG 3.52Å; F366-C370 WeakPolarHBondContact CZ-SG 3.46Å; F366-C370 WeakPolarHBondContact O-CB 3.46Å; F366-C370 PolarHBondContact O-N 3Å; F366-C370 PolarHBondContact O-SG 3.06Å
367F91.8Very high91Very high140 Ų14061.2 Ų61.261%0.61433%0.328SS*.Hα-helixtrans-58.5-48.7177.3174-100.3000111.8L363 V364 L369 C370 L371L363-F367 WeakPolarHBondContact O-CB 3.21Å; L363-F367 PolarHBondContact O-N 3.49Å; V364-F367 PolarHBondContact O-N 3.45Å; F367-L369 PolarHBondContact O-N 2.92Å; F367-C370 WeakPolarHBondContact O-CB 3.33Å; F367-C370 PolarHBondContact O-N 3.34Å; F367-L371 PolarHBondContact O-N 3.32Å
368L93Very high91.2Very high48 Ų4859.8 Ų59.825%0.25132%0.318SS..Hα-helixtrans-64.2-38.9178.7-68.6175.5000112.3V364 T365 F366 L371 C372 V458V364-L368 HydrophobicContact CG1-CD1 4.17Å; V364-L368 WeakPolarHBondContact O-CG 3.49Å; V364-L368 PolarHBondContact O-N 3.28Å; T365-L368 PolarHBondContact O-N 3.13Å; F366-L368 PolarHBondContact O-N 3.4Å; L368-L371 WeakPolarHBondContact O-CB 3.28Å; L368-L371 PolarHBondContact O-N 2.98Å; L368-C372 PolarHBondContact O-N 2.93Å; L368-C372 VanDerWaalsContact O-N 3.08Å; L368-C372 PolarHBondContact O-SG 3.4Å; L368-C372 VanDerWaalsContact O-SG 3.37Å; L368-V458 HydrophobicContact CB-CB 4.47Å; L368-V458 HydrophobicContact CB-CG1 3.58Å; L368-V458 HydrophobicContact CB-CG2 3.97Å; L368-V458 HydrophobicContact CD1-CG1 4.11Å
369L92.6Very high91.4Very high42 Ų4259.8 Ų59.822%0.2232%0.318CS..Hα-helixtrans-66.9-39.1174.7-71.8176.7000112.1T365 F366 F367 L371 C372 I373 A455 V458 L459T365-L369 HydrophobicContact CG2-CD1 3.99Å; T365-L369 HydrophobicContact CG2-CG 4.37Å; T365-L369 WeakPolarHBondContact O-CB 3.18Å; T365-L369 VanDerWaalsContact O-CG 3.29Å; T365-L369 WeakPolarHBondContact O-CG 3.38Å; T365-L369 PolarHBondContact O-N 2.89Å; F366-L369 PolarHBondContact O-N 3.2Å; F367-L369 PolarHBondContact O-N 2.92Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.46Å; L369-C372 WeakPolarHBondContact O-CB 3.28Å; L369-C372 PolarHBondContact O-N 3.19Å; L369-I373 VanDerWaalsContact O-CG1 3.28Å; L369-I373 WeakPolarHBondContact O-CG1 3.46Å; L369-I373 PolarHBondContact O-N 2.92Å; L369-A455 HydrophobicContact CD2-CB 3.91Å; L369-V458 HydrophobicContact CD2-CB 4.16Å; L369-V458 HydrophobicContact CD2-CG1 4.05Å; L369-V458 HydrophobicContact CG-CG1 4.02Å; L369-L459 HydrophobicContact CD1-CD2 4.13Å
370C91.1Very high91.5Very high50 Ų5060.1 Ų60.134%0.33832%0.323SS..Hα-helixtrans-61-41174.3-71.10000111.4F366 F367 I373 A374F366-C370 VanDerWaalsContact CE1-SG 3.52Å; F366-C370 WeakPolarHBondContact CZ-SG 3.46Å; F366-C370 WeakPolarHBondContact O-CB 3.46Å; F366-C370 PolarHBondContact O-N 3Å; F366-C370 PolarHBondContact O-SG 3.06Å; F367-C370 WeakPolarHBondContact O-CB 3.33Å; F367-C370 PolarHBondContact O-N 3.34Å; C370-I373 PolarHBondContact O-N 2.84Å; C370-A374 VanDerWaalsContact O-CB 3.29Å; C370-A374 WeakPolarHBondContact O-CB 3.39Å; C370-A374 PolarHBondContact O-N 3.3Å
371L94.3Very high91.6Very high106 Ų10657.5 Ų57.556%0.55531%0.311SS*.Hα-helixtrans-60-46.6174.1-176.467.1000111.4F367 L368 L369 I373 A374 Y375F367-L371 PolarHBondContact O-N 3.32Å; L368-L371 WeakPolarHBondContact O-CB 3.28Å; L368-L371 PolarHBondContact O-N 2.98Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.46Å; L371-I373 PolarHBondContact O-N 3.39Å; L371-A374 PolarHBondContact O-N 2.9Å; L371-Y375 WeakPolarHBondContact O-CB 3.45Å; L371-Y375 PolarHBondContact O-N 3.12Å
372C95.1Very high91.5Very high20 Ų2059.2 Ų59.214%0.13532%0.319CS..Hα-helixtrans-60-44.7175.6-68.20000112.3L368 L369 W376L368-C372 PolarHBondContact O-N 2.93Å; L368-C372 VanDerWaalsContact O-N 3.08Å; L368-C372 PolarHBondContact O-SG 3.4Å; L368-C372 VanDerWaalsContact O-SG 3.37Å; L369-C372 WeakPolarHBondContact O-CB 3.28Å; L369-C372 PolarHBondContact O-N 3.19Å; C372-W376 VanDerWaalsContact O-CB 3.28Å; C372-W376 WeakPolarHBondContact O-CB 3.45Å; C372-W376 PolarHBondContact O-N 2.95Å
373I93.8Very high91.4Very high81 Ų8157.9 Ų57.942%0.41531%0.31SS..Hα-helixtrans-65.2-45.6179.3-67.9165.5000110.7L369 C370 L371 W376 A377 F451L369-I373 VanDerWaalsContact O-CG1 3.28Å; L369-I373 WeakPolarHBondContact O-CG1 3.46Å; L369-I373 PolarHBondContact O-N 2.92Å; C370-I373 PolarHBondContact O-N 2.84Å; L371-I373 PolarHBondContact O-N 3.39Å; I373-W376 PolarHBondContact O-N 2.73Å; I373-A377 VanDerWaalsContact O-CB 3.22Å; I373-A377 WeakPolarHBondContact O-CB 3.28Å; I373-A377 PolarHBondContact O-N 3.39Å; I373-F451 HydrophobicContact CB-CE2 4.44Å; I373-F451 HydrophobicContact CG1-CE2 3.63Å; I373-F451 HydrophobicContact CG1-CZ 4.07Å
374A92.8Very high91.2Very high58 Ų5855.6 Ų55.648%0.47930%0.304SS..Hα-helixtrans-63.1-44.7-179.200000111.6C370 L371 S378C370-A374 VanDerWaalsContact O-CB 3.29Å; C370-A374 WeakPolarHBondContact O-CB 3.39Å; C370-A374 PolarHBondContact O-N 3.3Å; L371-A374 PolarHBondContact O-N 2.9Å; A374-S378 WeakPolarHBondContact O-CB 3.36Å; A374-S378 PolarHBondContact O-N 2.94Å; A374-S378 PolarHBondContact O-OG 3.41Å
375Y95Very high90.7Very high51 Ų5153 Ų5320%0.229%0.288CS..Hα-helixtrans-64.6-43.8177.1-171.3-83.7000111.9Y45 V46 W53 L371 S378 T379Y45-Y375 HydrophobicContact CD1-CD1 4.03Å; Y45-Y375 AromaticContact CD1-CE1 3.62Å; Y45-Y375 HydrophobicContact CD1-CE1 3.62Å; Y45-Y375 HydrophobicContact CD2-CE1 4.14Å; Y45-Y375 AromaticContact CE1-CD1 3.28Å; Y45-Y375 HydrophobicContact CE1-CD1 3.28Å; Y45-Y375 AromaticContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CG 4.5Å; Y45-Y375 HydrophobicContact CE2-CD1 4.28Å; Y45-Y375 AromaticContact CE2-CE1 3.81Å; Y45-Y375 HydrophobicContact CE2-CE1 3.81Å; Y45-Y375 HydrophobicContact CG-CE1 4.05Å; Y45-Y375 AromaticContact CZ-CD1 3.44Å; Y45-Y375 VanDerWaalsContact CZ-CD1 3.44Å; Y45-Y375 AromaticContact CZ-CE1 3.4Å; Y45-Y375 VanDerWaalsContact CZ-CE1 3.4Å; Y45-Y375 PolarHBondContact O-OH 3.39Å; Y45-Y375 WeakPolarHBondContact OH-CD1 3.32Å; V46-Y375 VanDerWaalsContact CA-OH 3.3Å; V46-Y375 WeakPolarHBondContact CA-OH 3.24Å; W53-Y375 HydrophobicContact CH2-CD2 4.25Å; W53-Y375 AromaticContact CH2-CE2 3.66Å; W53-Y375 HydrophobicContact CH2-CE2 3.66Å; W53-Y375 HydrophobicContact CZ2-CD2 4.31Å; W53-Y375 AromaticContact CZ2-CE2 3.92Å; W53-Y375 HydrophobicContact CZ2-CE2 3.92Å; L371-Y375 WeakPolarHBondContact O-CB 3.45Å; L371-Y375 PolarHBondContact O-N 3.12Å; Y375-S378 PolarHBondContact O-OG 2.9Å; Y375-T379 WeakPolarHBondContact O-CB 3.42Å; Y375-T379 PolarHBondContact O-N 3.45Å; Y375-T379 PolarHBondContact O-OG1 2.81Å
376W96Very high90.3Very high88 Ų8852.1 Ų52.133%0.33328%0.283SS..Hα-helixtrans-62.4-48.3176165.477000112.4Y45 C372 I373 T379 A380 N447 F451Y45-W376 WeakPolarHBondContact OH-CA 3.24Å; C372-W376 VanDerWaalsContact O-CB 3.28Å; C372-W376 WeakPolarHBondContact O-CB 3.45Å; C372-W376 PolarHBondContact O-N 2.95Å; I373-W376 PolarHBondContact O-N 2.73Å; W376-T379 PolarHBondContact O-N 3.4Å; W376-A380 VanDerWaalsContact O-CB 3.24Å; W376-A380 WeakPolarHBondContact O-CB 3.39Å; W376-A380 PolarHBondContact O-N 3.48Å; W376-N447 PolarHBondContact O-ND2 2.91Å; W376-F451 HydrophobicContact CB-CB 3.97Å; W376-F451 HydrophobicContact CB-CD2 3.76Å; W376-F451 HydrophobicContact CB-CG 4.09Å; W376-F451 AromaticContact CD1-CG 4Å; W376-F451 HydrophobicContact CD2-CD2 4.39Å; W376-F451 HydrophobicContact CD2-CG 4.29Å; W376-F451 HydrophobicContact CG-CB 3.74Å; W376-F451 AromaticContact CG-CD2 3.94Å; W376-F451 HydrophobicContact CG-CD2 3.94Å; W376-F451 AromaticContact CG-CG 3.83Å; W376-F451 HydrophobicContact CG-CG 3.83Å
377A90.6Very high89.7Confident36 Ų3647.4 Ų47.430%0.29826%0.264SS..Hα-helixtrans-65.8-44.4-176.400000111.4I373 A380 V381I373-A377 VanDerWaalsContact O-CB 3.22Å; I373-A377 WeakPolarHBondContact O-CB 3.28Å; I373-A377 PolarHBondContact O-N 3.39Å; A377-A380 PolarHBondContact O-N 3.14Å; A377-V381 WeakPolarHBondContact O-CG2 3.47Å; A377-V381 PolarHBondContact O-N 2.99Å
378S91.3Very high88.9Confident38 Ų3846.5 Ų46.527%0.26626%0.262SS..Hα-helixtrans-59.6-54.3174.455.40000110.7A374 Y375 A380 V381 F382A374-S378 WeakPolarHBondContact O-CB 3.36Å; A374-S378 PolarHBondContact O-N 2.94Å; A374-S378 PolarHBondContact O-OG 3.41Å; Y375-S378 PolarHBondContact O-OG 2.9Å; S378-A380 VanDerWaalsContact C-N 3.27Å; S378-A380 PolarHBondContact O-N 2.95Å; S378-V381 PolarHBondContact O-N 3.22Å; S378-V381 VanDerWaalsContact O-N 3.17Å; S378-F382 VanDerWaalsContact O-CD2 3.28Å; S378-F382 WeakPolarHBondContact O-CD2 3.32Å; S378-F382 PolarHBondContact O-N 3.46Å
379T93.1Very high87.8Confident0 Ų045.9 Ų45.90%026%0.263CS..Hα-helixtrans-56.4-41.1178.2-550000112.1V48 A52 Y375 W376 V381 F382 L383V48-T379 HydrophobicContact CG1-CG2 4.36Å; A52-T379 HydrophobicContact CB-CG2 4.16Å; Y375-T379 WeakPolarHBondContact O-CB 3.42Å; Y375-T379 PolarHBondContact O-N 3.45Å; Y375-T379 PolarHBondContact O-OG1 2.81Å; W376-T379 PolarHBondContact O-N 3.4Å; T379-V381 PolarHBondContact O-N 3.19Å; T379-F382 PolarHBondContact O-N 3Å; T379-L383 HydrophobicContact CG2-CD1 3.96Å; T379-L383 HydrophobicContact CG2-CG 4.31Å; T379-L383 VanDerWaalsContact O-CB 3.31Å; T379-L383 WeakPolarHBondContact O-CB 3.31Å; T379-L383 VanDerWaalsContact O-CG 3.32Å; T379-L383 WeakPolarHBondContact O-CG 3.26Å; T379-L383 PolarHBondContact O-N 2.86Å
380A90.6Very high87Confident18 Ų1844.8 Ų44.815%0.14926%0.258CS..Hα-helixtrans-62.3-44.1178.600000112.7W376 A377 S378 S384 Q444 N447W376-A380 VanDerWaalsContact O-CB 3.24Å; W376-A380 WeakPolarHBondContact O-CB 3.39Å; W376-A380 PolarHBondContact O-N 3.48Å; A377-A380 PolarHBondContact O-N 3.14Å; S378-A380 VanDerWaalsContact C-N 3.27Å; S378-A380 PolarHBondContact O-N 2.95Å; A380-S384 WeakPolarHBondContact O-CB 3.21Å; A380-S384 PolarHBondContact O-N 3.36Å; A380-S384 PolarHBondContact O-OG 3.5Å; A380-Q444 PolarHBondContact O-NE2 3.32Å; A380-N447 WeakPolarHBondContact CB-ND2 3.34Å; A380-N447 PolarHBondContact N-ND2 3.36Å
381V86.4Confident86.3Confident57 Ų5744.1 Ų44.135%0.34525%0.249SC..Hα-helixtrans-67.4-42.7178.8170.30000111.3V61 A377 S378 T379 S384 T385V61-V381 HydrophobicContact CG2-CG1 3.99Å; A377-V381 WeakPolarHBondContact O-CG2 3.47Å; A377-V381 PolarHBondContact O-N 2.99Å; S378-V381 PolarHBondContact O-N 3.22Å; S378-V381 VanDerWaalsContact O-N 3.17Å; T379-V381 PolarHBondContact O-N 3.19Å; V381-S384 PolarHBondContact O-N 3.45Å; V381-S384 PolarHBondContact O-OG 3.01Å; V381-T385 WeakPolarHBondContact O-CG2 3.47Å; V381-T385 PolarHBondContact O-N 3.22Å; V381-T385 VanDerWaalsContact O-N 3.16Å; V381-T385 PolarHBondContact O-OG1 3.42Å
382F87.7Confident85.6Confident48 Ų4841.8 Ų41.821%0.21123%0.234CC..Hα-helixtrans-68.9-40.7178.9-86-95.7000111.9A52 W53 G56 P58 S378 T379 S384 T385 S386A52-F382 HydrophobicContact CB-CB 4.06Å; A52-F382 WeakPolarHBondContact O-CB 3.39Å; W53-F382 HydrophobicContact CB-CD1 4.39Å; W53-F382 AromaticContact CD1-CD1 3.86Å; W53-F382 AromaticContact CD1-CD2 3.66Å; W53-F382 AromaticContact CD1-CG 3.51Å; G56-F382 VanDerWaalsContact CA-O 3.28Å; G56-F382 WeakPolarHBondContact CA-O 3.12Å; G56-F382 WeakPolarHBondContact O-CD1 3.45Å; P58-F382 HydrophobicContact CB-CE1 4.48Å; P58-F382 HydrophobicContact CB-CE2 4.33Å; P58-F382 HydrophobicContact CB-CZ 4.17Å; P58-F382 HydrophobicContact CG-CE1 3.86Å; P58-F382 HydrophobicContact CG-CE2 4.31Å; P58-F382 HydrophobicContact CG-CZ 3.66Å; S378-F382 VanDerWaalsContact O-CD2 3.28Å; S378-F382 WeakPolarHBondContact O-CD2 3.32Å; S378-F382 PolarHBondContact O-N 3.46Å; T379-F382 PolarHBondContact O-N 3Å; F382-S384 PolarHBondContact O-N 3.5Å; F382-T385 WeakPolarHBondContact CA-OG1 3.21Å; F382-T385 PolarHBondContact O-N 2.91Å; F382-T385 PolarHBondContact O-OG1 3.26Å; F382-T385 VanDerWaalsContact O-OG1 3.04Å; F382-S386 PolarHBondContact O-N 3.46Å; F382-S386 VanDerWaalsContact O-N 3.17Å
383L87.3Confident84.8Confident0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-60.7-46172.1-78.4174.1000111.5V48 A52 T379 T385 S386 L440 L443 Q444 N447V48-L383 HydrophobicContact CG1-CD1 4.33Å; A52-L383 HydrophobicContact CB-CD2 3.76Å; A52-L383 HydrophobicContact CB-CG 3.66Å; T379-L383 HydrophobicContact CG2-CD1 3.96Å; T379-L383 HydrophobicContact CG2-CG 4.31Å; T379-L383 VanDerWaalsContact O-CB 3.31Å; T379-L383 WeakPolarHBondContact O-CB 3.31Å; T379-L383 VanDerWaalsContact O-CG 3.32Å; T379-L383 WeakPolarHBondContact O-CG 3.26Å; T379-L383 PolarHBondContact O-N 2.86Å; L383-T385 PolarHBondContact O-N 3.43Å; L383-S386 PolarHBondContact O-N 3.04Å; L383-S386 PolarHBondContact O-OG 3.17Å; L383-L440 HydrophobicContact CD2-CD1 4.09Å; L383-L440 WeakPolarHBondContact O-CD1 3.42Å; L383-L443 HydrophobicContact CD1-CB 4.12Å; L383-L443 HydrophobicContact CD2-CB 4.07Å; L383-L443 HydrophobicContact CD2-CD1 4.05Å; L383-Q444 HydrophobicContact CB-CG 4.28Å; L383-Q444 HydrophobicContact CD1-CG 4.29Å; L383-N447 HydrophobicContact CD1-CB 4.31Å
384S82Confident83.9Confident64 Ų6441.7 Ų41.745%0.44823%0.229SC..Hα-helixtrans-66-22.3-178.369.20000113.6A380 V381 F382A380-S384 WeakPolarHBondContact O-CB 3.21Å; A380-S384 PolarHBondContact O-N 3.36Å; A380-S384 PolarHBondContact O-OG 3.5Å; V381-S384 PolarHBondContact O-N 3.45Å; V381-S384 PolarHBondContact O-OG 3.01Å; F382-S384 PolarHBondContact O-N 3.5Å
385T81Confident83Confident9 Ų940.1 Ų40.16%0.05521%0.212CC..Hα-helixtrans-97.3-2.6178.751.80000114.7D57 K60 V61 V381 F382 L383 N387D57-T385 PolarHBondContact N-OG1 3.26Å; D57-T385 WeakPolarHBondContact O-CB 3.42Å; D57-T385 WeakPolarHBondContact O-CG2 3.4Å; D57-T385 PolarHBondContact O-OG1 3.26Å; K60-T385 HydrophobicContact CB-CG2 4.02Å; K60-T385 WeakPolarHBondContact CD-O 3.34Å; K60-T385 PolarHBondContact NZ-O 3.14Å; V61-T385 HydrophobicContact CG2-CG2 3.31Å; V381-T385 WeakPolarHBondContact O-CG2 3.47Å; V381-T385 PolarHBondContact O-N 3.22Å; V381-T385 VanDerWaalsContact O-N 3.16Å; V381-T385 PolarHBondContact O-OG1 3.42Å; F382-T385 WeakPolarHBondContact CA-OG1 3.21Å; F382-T385 PolarHBondContact O-N 2.91Å; F382-T385 PolarHBondContact O-OG1 3.26Å; F382-T385 VanDerWaalsContact O-OG1 3.04Å; L383-T385 PolarHBondContact O-N 3.43Å; T385-N387 PolarHBondContact O-N 2.89Å
386S82.5Confident81.5Confident3 Ų344.2 Ų44.22%0.02124%0.238CC..  trans-76.7-1-177.868.10000114.7F382 L383 Y436 H437 L440F382-S386 PolarHBondContact O-N 3.46Å; F382-S386 VanDerWaalsContact O-N 3.17Å; L383-S386 PolarHBondContact O-N 3.04Å; L383-S386 PolarHBondContact O-OG 3.17Å; S386-Y436 WeakPolarHBondContact CB-OH 3.46Å; S386-Y436 PolarHBondContact OG-OH 2.94Å; S386-H437 PolarHBondContact O-CE1 3.31Å; S386-H437 VanDerWaalsContact O-CE1 3.29Å; S386-L440 WeakPolarHBondContact OG-CD1 3.49Å
387N75.7Confident80.2Confident39 Ų3942.4 Ų42.421%0.20924%0.239CC..  trans-71140.3174.6-72.4-31.1000112.1K60 T385K60-N387 PolarHBondContact NZ-O 3.46Å; T385-N387 PolarHBondContact O-N 2.89Å
388E74.9Confident79.2Confident121 Ų12147.3 Ų47.357%0.56527%0.267SS*.EExtended strand (participates in β ladder)trans-90.4158.6177.6-65.3-174.2169.700111.5V390 Y430 G431E388-V390 PolarHBondContact O-N 3.37Å; E388-Y430 CarbonylContact O-C 3.41Å; E388-Y430 WeakPolarHBondContact O-CA 3.41Å; E388-G431 CarbonylContact C-O 3.55Å; E388-G431 PolarHBondContact N-O 3.49Å; E388-G431 PolarHBondContact O-N 3.01Å
389A70.8Confident78.6Confident34 Ų3446.1 Ų46.128%0.28126%0.259SS..EExtended strand (participates in β ladder)trans-80.4115.9176.800000109.7Y391 F427 Y430A389-Y391 HydrophobicContact CB-CE2 3.79Å; A389-Y391 WeakPolarHBondContact O-CE2 3.3Å; A389-F427 HydrophobicContact CB-CD2 3.95Å; A389-F427 HydrophobicContact CB-CE2 3.75Å; A389-Y430 HydrophobicContact CB-CD1 4.32Å; A389-Y430 HydrophobicContact CB-CE1 3.96Å
390V75.4Confident77.9Confident20 Ų2051.3 Ų51.312%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-98.8124.8176.9-177.80000108.9E388 T405 A428 F429 G431E388-V390 PolarHBondContact O-N 3.37Å; V390-T405 HydrophobicContact CG1-CG2 3.68Å; V390-A428 WeakPolarHBondContact O-CB 3.19Å; V390-A428 PolarHBondContact O-N 2.95Å; V390-F429 HydrophobicContact CB-CE2 4.38Å; V390-F429 HydrophobicContact CB-CZ 4.44Å; V390-F429 WeakPolarHBondContact CB-O 3.37Å; V390-F429 HydrophobicContact CG1-CZ 4.37Å; V390-F429 HydrophobicContact CG2-CE2 4.28Å; V390-F429 PolarHBondContact N-O 3.45Å; V390-F429 PolarHBondContact O-N 3.41Å; V390-G431 WeakPolarHBondContact CG2-O 3.35Å
391Y76.8Confident77.4Confident36 Ų3652.3 Ų52.314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-105.1139.1176.3-54.1-105.9000109.4R68 A389 T405 C406 P408 C425 Q426 F427R68-Y391 VanDerWaalsContact C-OH 3.31Å; R68-Y391 PolarHBondContact O-OH 2.84Å; A389-Y391 HydrophobicContact CB-CE2 3.79Å; A389-Y391 WeakPolarHBondContact O-CE2 3.3Å; Y391-T405 CarbonylContact O-C 3.52Å; Y391-T405 VanDerWaalsContact O-CA 3.26Å; Y391-T405 WeakPolarHBondContact O-CA 3.49Å; Y391-C406 WeakPolarHBondContact CB-O 3.21Å; Y391-C406 PolarHBondContact O-N 3.32Å; Y391-P408 HydrophobicContact CD1-CB 4.41Å; Y391-P408 HydrophobicContact CD1-CG 3.88Å; Y391-P408 HydrophobicContact CD2-CG 4.26Å; Y391-P408 HydrophobicContact CE1-CG 3.89Å; Y391-P408 HydrophobicContact CE2-CG 4.29Å; Y391-P408 HydrophobicContact CG-CG 4.1Å; Y391-C425 VanDerWaalsContact CB-SG 3.59Å; Y391-Q426 CarbonylContact C-O 3.03Å; Y391-Q426 VanDerWaalsContact CA-O 3.23Å; Y391-Q426 WeakPolarHBondContact CA-O 3.39Å; Y391-F427 VanDerWaalsContact CD1-CA 3.48Å; Y391-F427 HydrophobicContact CD1-CB 3.89Å; Y391-F427 HydrophobicContact CE1-CB 3.85Å; Y391-F427 HydrophobicContact CE1-CD2 4.39Å
392K78.5Confident77Confident56 Ų5652.3 Ų52.324%0.24329%0.294CS..EExtended strand (participates in β ladder)trans-126.5156.9179.4-70.6-173.7168-165.90111.9F394 A403 K404 Q426 A428 F429K392-F394 HydrophobicContact CB-CE2 4.07Å; K392-F394 VanDerWaalsContact O-CD2 3.23Å; K392-F394 WeakPolarHBondContact O-CD2 3.27Å; K392-A403 WeakPolarHBondContact CD-O 3.49Å; K392-A403 WeakPolarHBondContact CE-O 3.45Å; K392-K404 CarbonylContact C-O 3.6Å; K392-K404 VanDerWaalsContact CA-O 3.23Å; K392-K404 WeakPolarHBondContact CA-O 3.33Å; K392-Q426 PolarHBondContact N-O 3Å; K392-Q426 PolarHBondContact O-N 3.24Å; K392-A428 HydrophobicContact CB-CB 3.95Å; K392-A428 HydrophobicContact CD-CB 3.95Å; K392-A428 HydrophobicContact CG-CB 3.79Å; K392-F429 HydrophobicContact CD-CE1 4.43Å
393I79.7Confident76.3Confident4 Ų452.7 Ų52.72%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-80122.9176.4-56.9173.3000109.4F401 A403 K404 C406 F411 E416 A423 R424I393-F401 HydrophobicContact CD1-CB 4.16Å; I393-A403 PolarHBondContact O-N 3.41Å; I393-K404 HydrophobicContact CD1-CB 4.36Å; I393-K404 PolarHBondContact N-O 3.16Å; I393-C406 HydrophobicContact CD1-CB 4.3Å; I393-C406 HydrophobicContact CG1-CB 3.74Å; I393-F411 HydrophobicContact CD1-CD2 4.4Å; I393-F411 HydrophobicContact CD1-CE2 3.63Å; I393-F411 HydrophobicContact CD1-CZ 4.46Å; I393-F411 HydrophobicContact CG1-CD2 4.37Å; I393-F411 HydrophobicContact CG1-CE2 3.68Å; I393-F411 HydrophobicContact CG1-CZ 4.26Å; I393-F411 HydrophobicContact CG2-CE2 4.4Å; I393-F411 HydrophobicContact CG2-CZ 4.22Å; I393-E416 HydrophobicContact CD1-CB 4.27Å; I393-A423 HydrophobicContact CG2-CB 3.59Å; I393-R424 CarbonylContact C-O 3.43Å; I393-R424 VanDerWaalsContact CA-O 3.3Å; I393-R424 WeakPolarHBondContact CA-O 3.25Å
394F73.3Confident76.1Confident95 Ų9558.1 Ų58.142%0.41733%0.33SS..EExtended strand (participates in β ladder)trans-114.6132.2174.2-67.8-89.7000109.8K392 A423 R424 Q426 A428K392-F394 HydrophobicContact CB-CE2 4.07Å; K392-F394 VanDerWaalsContact O-CD2 3.23Å; K392-F394 WeakPolarHBondContact O-CD2 3.27Å; F394-A423 CarbonylContact O-C 3.57Å; F394-A423 WeakPolarHBondContact O-CA 3.43Å; F394-R424 PolarHBondContact N-O 2.96Å; F394-R424 PolarHBondContact O-N 2.69Å; F394-Q426 HydrophobicContact CD2-CB 3.78Å; F394-Q426 HydrophobicContact CD2-CG 4.33Å; F394-Q426 HydrophobicContact CE2-CB 4.02Å; F394-A428 HydrophobicContact CE2-CB 4.47Å; F394-A428 HydrophobicContact CZ-CB 4.41Å
395D74.9Confident76.1Confident26 Ų2658.7 Ų58.714%0.13933%0.331CS..  trans-144.9136.6175.1-166.5-18.2000108S397 C399 A423D395-S397 VanDerWaalsContact C-N 3.29Å; D395-S397 WeakPolarHBondContact OD1-CB 3.39Å; D395-S397 PolarHBondContact OD1-N 3.17Å; D395-S397 PolarHBondContact OD1-OG 3.25Å; D395-S397 PolarHBondContact OD2-OG 3.05Å; D395-S397 VanDerWaalsContact OD2-OG 3.07Å; D395-C399 HydrophobicContact CB-CB 4.07Å; D395-C399 VanDerWaalsContact OD2-CB 3.31Å; D395-C399 WeakPolarHBondContact OD2-CB 3.22Å; D395-A423 HydrophobicContact CB-CB 3.96Å
396D62.7Low76.1Confident136 Ų13659.3 Ų59.373%0.72734%0.335SS*.SBendtrans-80.8-14.9175.9-68.8-34.3000111.6
397S68.9Low76.1Confident51 Ų5163 Ų6336%0.35735%0.354SS..SBendtrans-95.3153171.9700000111.3D395 C399D395-S397 VanDerWaalsContact C-N 3.29Å; D395-S397 WeakPolarHBondContact OD1-CB 3.39Å; D395-S397 PolarHBondContact OD1-N 3.17Å; D395-S397 PolarHBondContact OD1-OG 3.25Å; D395-S397 PolarHBondContact OD2-OG 3.05Å; D395-S397 VanDerWaalsContact OD2-OG 3.07Å; S397-C399 VanDerWaalsContact C-N 3.26Å; S397-C399 PolarHBondContact O-N 3.5Å
398P69.9Low76.1Confident138 Ų13863.5 Ų63.590%0.89636%0.36SS*.  trans-70.282.3-179.526.6-31.8000111.2
399C77.6Confident76.2Confident14 Ų1465.8 Ų65.810%0.09537%0.371CS..  trans-90.6137.3173.1166.80000110.6D395 S397 F401 T402 C420D395-C399 HydrophobicContact CB-CB 4.07Å; D395-C399 VanDerWaalsContact OD2-CB 3.31Å; D395-C399 WeakPolarHBondContact OD2-CB 3.22Å; S397-C399 VanDerWaalsContact C-N 3.26Å; S397-C399 PolarHBondContact O-N 3.5Å; C399-F401 PolarHBondContact O-N 3.41Å; C399-F401 PolarHBondContact SG-N 2.83Å; C399-F401 VanDerWaalsContact SG-N 3.38Å; C399-T402 PolarHBondContact O-N 3.31Å; C399-T402 PolarHBondContact O-OG1 3.39Å; C399-T402 VanDerWaalsContact O-OG1 3.07Å; C399-C420 HydrophobicContact CB-CB 3.91Å; C399-C420 WeakPolarHBondContact CB-SG 3.15Å; C399-C420 WeakPolarHBondContact SG-CB 3.36Å; C399-C420 CovalentContact SG-SG 2.03Å; C399-C420 PolarHBondContact SG-SG 3.23Å
400P79.9Confident76.7Confident108 Ų10867.9 Ų67.970%0.70138%0.38SS*.THydrogen-bonded Turntrans-70.6-10.1179.725.9-32.4000114.4
401F79.3Confident77Confident39 Ų3967.6 Ų67.617%0.17138%0.377CS..THydrogen-bonded Turntrans-102.10.6179.4-58.2-84.7000113.7I393 C399 A403 K404 E416 Q419I393-F401 HydrophobicContact CD1-CB 4.16Å; C399-F401 PolarHBondContact O-N 3.41Å; C399-F401 PolarHBondContact SG-N 2.83Å; C399-F401 VanDerWaalsContact SG-N 3.38Å; F401-A403 PolarHBondContact O-N 2.99Å; F401-K404 HydrophobicContact CD1-CD 4.05Å; F401-K404 WeakPolarHBondContact O-CB 3.38Å; F401-K404 PolarHBondContact O-N 3.29Å; F401-E416 HydrophobicContact CD1-CG 3.95Å; F401-E416 HydrophobicContact CE1-CG 4.28Å; F401-E416 HydrophobicContact CG-CB 4.47Å; F401-E416 HydrophobicContact CG-CG 4.34Å; F401-Q419 HydrophobicContact CE2-CB 4.16Å
402T77.4Confident77Confident57 Ų5770.5 Ų70.535%0.3540%0.401SS..THydrogen-bonded Turntrans-56.1138.9177.1-57.20000110.8C399 K404C399-T402 PolarHBondContact O-N 3.31Å; C399-T402 PolarHBondContact O-OG1 3.39Å; C399-T402 VanDerWaalsContact O-OG1 3.07Å; T402-K404 VanDerWaalsContact C-N 3.27Å; T402-K404 PolarHBondContact O-N 2.87Å
403A74.4Confident77Confident57 Ų5771.9 Ų71.947%0.47142%0.417SS..THydrogen-bonded Turntrans693.6-177.200000117.3K392 I393 F401K392-A403 WeakPolarHBondContact CD-O 3.49Å; K392-A403 WeakPolarHBondContact CE-O 3.45Å; I393-A403 PolarHBondContact O-N 3.41Å; F401-A403 PolarHBondContact O-N 2.99Å
404K82.3Confident77.1Confident113 Ų11372.7 Ų72.749%0.49142%0.423SS..  trans-74.4151.2168-72.8-173.5177.5179.20111.7K392 I393 F401 T402K392-K404 CarbonylContact C-O 3.6Å; K392-K404 VanDerWaalsContact CA-O 3.23Å; K392-K404 WeakPolarHBondContact CA-O 3.33Å; I393-K404 HydrophobicContact CD1-CB 4.36Å; I393-K404 PolarHBondContact N-O 3.16Å; F401-K404 HydrophobicContact CD1-CD 4.05Å; F401-K404 WeakPolarHBondContact O-CB 3.38Å; F401-K404 PolarHBondContact O-N 3.29Å; T402-K404 VanDerWaalsContact C-N 3.27Å; T402-K404 PolarHBondContact O-N 2.87Å
405T83.1Confident77.4Confident77 Ų7772.8 Ų72.847%0.47243%0.428SS..EExtended strand (participates in β ladder)trans-70.7139.1176.446.90000111.5V390 Y391V390-T405 HydrophobicContact CG1-CG2 3.68Å; Y391-T405 CarbonylContact O-C 3.52Å; Y391-T405 VanDerWaalsContact O-CA 3.26Å; Y391-T405 WeakPolarHBondContact O-CA 3.49Å
406C80.5Confident77.6Confident22 Ų2275.2 Ų75.215%0.14944%0.438CS..EExtended strand (participates in β ladder)trans-137.5160.4-179.256.10000110.3Y391 I393 F411 C425Y391-C406 WeakPolarHBondContact CB-O 3.21Å; Y391-C406 PolarHBondContact O-N 3.32Å; I393-C406 HydrophobicContact CD1-CB 4.3Å; I393-C406 HydrophobicContact CG1-CB 3.74Å; C406-F411 HydrophobicContact CB-CD2 3.9Å; C406-F411 HydrophobicContact CB-CE2 4.49Å; C406-C425 VanDerWaalsContact C-SG 3.51Å; C406-C425 HydrophobicContact CB-CB 3.84Å; C406-C425 WeakPolarHBondContact CB-SG 3.44Å; C406-C425 WeakPolarHBondContact SG-CA 3.26Å; C406-C425 WeakPolarHBondContact SG-CB 3.16Å; C406-C425 CovalentContact SG-SG 2.02Å; C406-C425 PolarHBondContact SG-SG 3.38Å
407N81.3Confident78.3Confident79 Ų7970 Ų7042%0.42241%0.412SS..  trans-106.3121.7169.1177.8-18.4000108.2E409 T410 F411N407-E409 PolarHBondContact O-N 2.95Å; N407-E409 VanDerWaalsContact O-N 3.16Å; N407-E409 PolarHBondContact OD1-N 3.29Å; N407-T410 WeakPolarHBondContact CB-OG1 3.47Å; N407-T410 PolarHBondContact O-N 2.83Å; N407-T410 PolarHBondContact O-OG1 3.22Å; N407-F411 WeakPolarHBondContact O-CB 3.49Å; N407-F411 PolarHBondContact O-N 2.97Å
408P75.8Confident78.8Confident51 Ų5176.6 Ų76.633%0.33143%0.43SS..THydrogen-bonded Turntrans-59.8-26.1-175.322.9-33.4000113.9Y391Y391-P408 HydrophobicContact CD1-CB 4.41Å; Y391-P408 HydrophobicContact CD1-CG 3.88Å; Y391-P408 HydrophobicContact CD2-CG 4.26Å; Y391-P408 HydrophobicContact CE1-CG 3.89Å; Y391-P408 HydrophobicContact CE2-CG 4.29Å; Y391-P408 HydrophobicContact CG-CG 4.1Å
409E77.6Confident79.3Confident169 Ų16975.3 Ų75.379%0.7941%0.412SS*.THydrogen-bonded Turntrans-77.4-36.4179.6-62.8-170.8159.900112.8N407N407-E409 PolarHBondContact O-N 2.95Å; N407-E409 VanDerWaalsContact O-N 3.16Å; N407-E409 PolarHBondContact OD1-N 3.29Å
410T82.3Confident79.3Confident77 Ų7775 Ų7547%0.47241%0.41SS..THydrogen-bonded Turntrans-98.3-17.7-175.161.20000113.2N407 P412 S413 S414N407-T410 WeakPolarHBondContact CB-OG1 3.47Å; N407-T410 PolarHBondContact O-N 2.83Å; N407-T410 PolarHBondContact O-OG1 3.22Å; T410-P412 VanDerWaalsContact C-CD 3.45Å; T410-S413 PolarHBondContact O-N 2.75Å; T410-S413 PolarHBondContact O-OG 2.98Å; T410-S414 PolarHBondContact O-N 3.22Å
411F80.4Confident78.9Confident15 Ų1575 Ų757%0.06641%0.409CS..G310 helixtrans-56.4-42.5-178-176.4-102.4000114.4I393 C406 N407 S413 S414 E416 S417 A423 C425I393-F411 HydrophobicContact CD1-CD2 4.4Å; I393-F411 HydrophobicContact CD1-CE2 3.63Å; I393-F411 HydrophobicContact CD1-CZ 4.46Å; I393-F411 HydrophobicContact CG1-CD2 4.37Å; I393-F411 HydrophobicContact CG1-CE2 3.68Å; I393-F411 HydrophobicContact CG1-CZ 4.26Å; I393-F411 HydrophobicContact CG2-CE2 4.4Å; I393-F411 HydrophobicContact CG2-CZ 4.22Å; C406-F411 HydrophobicContact CB-CD2 3.9Å; C406-F411 HydrophobicContact CB-CE2 4.49Å; N407-F411 WeakPolarHBondContact O-CB 3.49Å; N407-F411 PolarHBondContact O-N 2.97Å; F411-S413 PolarHBondContact O-N 2.94Å; F411-S414 WeakPolarHBondContact O-CB 3.33Å; F411-S414 PolarHBondContact O-N 2.9Å; F411-S414 PolarHBondContact O-OG 2.96Å; F411-E416 HydrophobicContact CE2-CB 4.29Å; F411-S417 WeakPolarHBondContact O-CB 3.46Å; F411-A423 VanDerWaalsContact CE1-O 3.31Å; F411-A423 WeakPolarHBondContact CE1-O 3.49Å; F411-A423 HydrophobicContact CZ-CB 4.34Å; F411-C425 HydrophobicContact CB-CB 3.82Å; F411-C425 HydrophobicContact CD1-CB 3.65Å; F411-C425 HydrophobicContact CD2-CB 4.1Å; F411-C425 HydrophobicContact CE1-CB 4.23Å; F411-C425 HydrophobicContact CG-CB 3.57Å
412P76.8Confident78.6Confident97 Ų9778.1 Ų78.163%0.6343%0.428SS*.G310 helixtrans-60-24.5-179.6-23.334000114.1T410T410-P412 VanDerWaalsContact C-CD 3.45Å
413S78.6Confident78.4Confident85 Ų8575.8 Ų75.859%0.59441%0.414SS*.G310 helixtrans-99.2-2178.247.90000113.9T410 F411T410-S413 PolarHBondContact O-N 2.75Å; T410-S413 PolarHBondContact O-OG 2.98Å; F411-S413 PolarHBondContact O-N 2.94Å
414S81.9Confident78.3Confident21 Ų2176.4 Ų76.415%0.14740%0.404CS..SBendtrans-83.2159.8-171.194.20000112.5T410 F411 E416 S417 R418T410-S414 PolarHBondContact O-N 3.22Å; F411-S414 WeakPolarHBondContact O-CB 3.33Å; F411-S414 PolarHBondContact O-N 2.9Å; F411-S414 PolarHBondContact O-OG 2.96Å; S414-E416 WeakPolarHBondContact CB-OE2 3.38Å; S414-E416 PolarHBondContact O-N 3.32Å; S414-E416 PolarHBondContact OG-OE2 3.48Å; S414-S417 PolarHBondContact O-N 3.03Å; S414-S417 PolarHBondContact OG-N 3.38Å; S414-R418 PolarHBondContact O-N 3.2Å
415N80Confident78.1Confident97 Ų9772 Ų7252%0.51939%0.388SS..Hα-helixtrans-70-28.4-178.4-150.122.3000111.4R418 Q419N415-R418 WeakPolarHBondContact O-CB 3.33Å; N415-R418 PolarHBondContact O-N 2.94Å; N415-Q419 PolarHBondContact O-N 3.1Å
416E79.4Confident77.5Confident76 Ų7671.4 Ų71.436%0.35538%0.38SS..Hα-helixtrans-64.1-42.2174.6-57.678.3-173.900111.4I393 F401 F411 S414 R418 Q419 C420I393-E416 HydrophobicContact CD1-CB 4.27Å; F401-E416 HydrophobicContact CD1-CG 3.95Å; F401-E416 HydrophobicContact CE1-CG 4.28Å; F401-E416 HydrophobicContact CG-CB 4.47Å; F401-E416 HydrophobicContact CG-CG 4.34Å; F411-E416 HydrophobicContact CE2-CB 4.29Å; S414-E416 WeakPolarHBondContact CB-OE2 3.38Å; S414-E416 PolarHBondContact O-N 3.32Å; S414-E416 PolarHBondContact OG-OE2 3.48Å; E416-R418 VanDerWaalsContact C-N 3.27Å; E416-R418 PolarHBondContact O-N 3.32Å; E416-Q419 PolarHBondContact O-N 3.41Å; E416-C420 PolarHBondContact O-N 3.11Å
417S77.3Confident76.9Confident26 Ų2672.2 Ų72.218%0.18238%0.381CS..Hα-helixtrans-68.2-26.1174.5-179.60000112.7F411 S414 C420F411-S417 WeakPolarHBondContact O-CB 3.46Å; S414-S417 PolarHBondContact O-N 3.03Å; S414-S417 PolarHBondContact OG-N 3.38Å; S417-C420 CarbonylContact O-C 3.57Å
418R79.1Confident76.2Confident190 Ų19069.3 Ų69.372%0.71737%0.367SS*.Hα-helixtrans-76.3-35.2174.5-67.4179.2-178.6-179.9-0.1112.6S414 N415 E416S414-R418 PolarHBondContact O-N 3.2Å; N415-R418 WeakPolarHBondContact O-CB 3.33Å; N415-R418 PolarHBondContact O-N 2.94Å; E416-R418 VanDerWaalsContact C-N 3.27Å; E416-R418 PolarHBondContact O-N 3.32Å
419Q81.1Confident75.7Confident112 Ų11269.7 Ų69.752%0.52336%0.364SS..Hα-helixtrans-79.5-28.5178.9-76.6177.5-1300112.7F401 N415 E416F401-Q419 HydrophobicContact CE2-CB 4.16Å; N415-Q419 PolarHBondContact O-N 3.1Å; E416-Q419 PolarHBondContact O-N 3.41Å
420C77.7Confident75.1Confident8 Ų865.4 Ų65.45%0.05434%0.341CS..  trans-124.886.8173.7-58.70000109.7C399 E416 S417 N422 A423C399-C420 HydrophobicContact CB-CB 3.91Å; C399-C420 WeakPolarHBondContact CB-SG 3.15Å; C399-C420 WeakPolarHBondContact SG-CB 3.36Å; C399-C420 CovalentContact SG-SG 2.03Å; C399-C420 PolarHBondContact SG-SG 3.23Å; E416-C420 PolarHBondContact O-N 3.11Å; S417-C420 CarbonylContact O-C 3.57Å; C420-N422 PolarHBondContact O-N 3.49Å; C420-A423 HydrophobicContact CB-CB 3.51Å; C420-A423 WeakPolarHBondContact O-CB 3.35Å; C420-A423 PolarHBondContact O-N 2.96Å
421P71.8Confident74.3Confident106 Ų10662.2 Ų62.269%0.68832%0.323SS*.THydrogen-bonded Turntrans-66-21-173.423.5-32000113.8
422N71.3Confident73.6Confident106 Ų10662.7 Ų62.757%0.56733%0.332SS*.THydrogen-bonded Turntrans-94.4-5.3177-64.6-19.3000113.2C420C420-N422 PolarHBondContact O-N 3.49Å
423A73.8Confident73.1Confident7 Ų765.2 Ų65.26%0.05834%0.336CS..  trans-78.8144.4-176.300000111.5I393 F394 D395 F411 C420I393-A423 HydrophobicContact CG2-CB 3.59Å; F394-A423 CarbonylContact O-C 3.57Å; F394-A423 WeakPolarHBondContact O-CA 3.43Å; D395-A423 HydrophobicContact CB-CB 3.96Å; F411-A423 VanDerWaalsContact CE1-O 3.31Å; F411-A423 WeakPolarHBondContact CE1-O 3.49Å; F411-A423 HydrophobicContact CZ-CB 4.34Å; C420-A423 HydrophobicContact CB-CB 3.51Å; C420-A423 WeakPolarHBondContact O-CB 3.35Å; C420-A423 PolarHBondContact O-N 2.96Å
424R73.4Confident72.7Confident70 Ų7063.9 Ų63.926%0.26433%0.326SS..EExtended strand (participates in β ladder)trans-128.4136.2-175.3-58.6-174.2-168.4123.525.2111.7Q152 D153 I393 F394 Q426Q152-R424 PolarHBondContact O-NH1 3.43Å; D153-R424 VanDerWaalsContact CA-CZ 3.42Å; D153-R424 PolarHBondContact O-NH1 2.94Å; D153-R424 IonicContact OD1-CZ 2.78Å; D153-R424 IonicContact OD1-NH2 3.11Å; D153-R424 PolarHBondContact OD1-NH2 3.47Å; I393-R424 CarbonylContact C-O 3.43Å; I393-R424 VanDerWaalsContact CA-O 3.3Å; I393-R424 WeakPolarHBondContact CA-O 3.25Å; F394-R424 PolarHBondContact N-O 2.96Å; F394-R424 PolarHBondContact O-N 2.69Å; R424-Q426 HydrophobicContact CB-CG 4.1Å; R424-Q426 PolarHBondContact O-N 3.49Å
425C76.5Confident72.3Confident22 Ų2265.7 Ų65.715%0.14935%0.348CS..EExtended strand (participates in β ladder)trans-83.1105.8169-170.10000110.1Y391 C406 F411Y391-C425 VanDerWaalsContact CB-SG 3.59Å; C406-C425 VanDerWaalsContact C-SG 3.51Å; C406-C425 HydrophobicContact CB-CB 3.84Å; C406-C425 WeakPolarHBondContact CB-SG 3.44Å; C406-C425 WeakPolarHBondContact SG-CA 3.26Å; C406-C425 WeakPolarHBondContact SG-CB 3.16Å; C406-C425 CovalentContact SG-SG 2.02Å; C406-C425 PolarHBondContact SG-SG 3.38Å; F411-C425 HydrophobicContact CB-CB 3.82Å; F411-C425 HydrophobicContact CD1-CB 3.65Å; F411-C425 HydrophobicContact CD2-CB 4.1Å; F411-C425 HydrophobicContact CE1-CB 4.23Å; F411-C425 HydrophobicContact CG-CB 3.57Å
426Q70.5Confident72.2Confident64 Ų6463.2 Ų63.230%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-120.7151.8179.3-59.7-175.6-1.400110.7Y391 K392 F394 R424 A428Y391-Q426 CarbonylContact C-O 3.03Å; Y391-Q426 VanDerWaalsContact CA-O 3.23Å; Y391-Q426 WeakPolarHBondContact CA-O 3.39Å; K392-Q426 PolarHBondContact N-O 3Å; K392-Q426 PolarHBondContact O-N 3.24Å; F394-Q426 HydrophobicContact CD2-CB 3.78Å; F394-Q426 HydrophobicContact CD2-CG 4.33Å; F394-Q426 HydrophobicContact CE2-CB 4.02Å; R424-Q426 HydrophobicContact CB-CG 4.1Å; R424-Q426 PolarHBondContact O-N 3.49Å; Q426-A428 PolarHBondContact O-N 3.25Å
427F68.7Low72Confident39 Ų3960.8 Ų60.817%0.17132%0.321CS..EExtended strand (participates in β ladder)trans-56.8125.2172.3172.2-92.8000109.6S67 A389 Y391 F429 Y430S67-F427 WeakPolarHBondContact O-CB 3.22Å; A389-F427 HydrophobicContact CB-CD2 3.95Å; A389-F427 HydrophobicContact CB-CE2 3.75Å; Y391-F427 VanDerWaalsContact CD1-CA 3.48Å; Y391-F427 HydrophobicContact CD1-CB 3.89Å; Y391-F427 HydrophobicContact CE1-CB 3.85Å; Y391-F427 HydrophobicContact CE1-CD2 4.39Å; F427-F429 VanDerWaalsContact CZ-C 3.46Å; F427-Y430 HydrophobicContact CE1-CE2 4.48Å; F427-Y430 HydrophobicContact CE2-CD1 4.38Å; F427-Y430 HydrophobicContact CE2-CD2 4.12Å; F427-Y430 HydrophobicContact CE2-CE1 4.22Å; F427-Y430 AromaticContact CE2-CE2 3.95Å; F427-Y430 HydrophobicContact CE2-CE2 3.95Å; F427-Y430 HydrophobicContact CE2-CG 4.32Å; F427-Y430 AromaticContact CZ-CD2 3.53Å; F427-Y430 HydrophobicContact CZ-CD2 3.53Å; F427-Y430 AromaticContact CZ-CE2 3.51Å; F427-Y430 HydrophobicContact CZ-CE2 3.51Å; F427-Y430 HydrophobicContact CZ-CG 4.07Å
428A67.1Low72Confident17 Ų1769.2 Ų69.214%0.1435%0.349CS..EExtended strand (participates in β ladder)trans-98.2-61177.900000110.2V390 K392 F394 Q426V390-A428 WeakPolarHBondContact O-CB 3.19Å; V390-A428 PolarHBondContact O-N 2.95Å; K392-A428 HydrophobicContact CB-CB 3.95Å; K392-A428 HydrophobicContact CD-CB 3.95Å; K392-A428 HydrophobicContact CG-CB 3.79Å; F394-A428 HydrophobicContact CE2-CB 4.47Å; F394-A428 HydrophobicContact CZ-CB 4.41Å; Q426-A428 PolarHBondContact O-N 3.25Å
429F64.3Low72.3Confident59 Ų5962.3 Ų62.326%0.25933%0.332SS..EExtended strand (participates in β ladder)trans-161.9165.8-177.259.1-90.2000112.6Q103 V390 K392 F427Q103-F429 HydrophobicContact CG-CB 3.79Å; Q103-F429 VanDerWaalsContact NE2-CB 3.33Å; V390-F429 HydrophobicContact CB-CE2 4.38Å; V390-F429 HydrophobicContact CB-CZ 4.44Å; V390-F429 WeakPolarHBondContact CB-O 3.37Å; V390-F429 HydrophobicContact CG1-CZ 4.37Å; V390-F429 HydrophobicContact CG2-CE2 4.28Å; V390-F429 PolarHBondContact N-O 3.45Å; V390-F429 PolarHBondContact O-N 3.41Å; K392-F429 HydrophobicContact CD-CE1 4.43Å; F427-F429 VanDerWaalsContact CZ-C 3.46Å
430Y65.3Low72.4Confident80 Ų8057.9 Ų57.931%0.31431%0.312SS..EExtended strand (participates in β ladder)trans-83115.5168-75.4-74.6000110.1T65 E388 A389 F427T65-Y430 VanDerWaalsContact CB-OH 3.26Å; T65-Y430 WeakPolarHBondContact CB-OH 3.32Å; T65-Y430 VanDerWaalsContact CG2-OH 3.28Å; T65-Y430 WeakPolarHBondContact CG2-OH 3.44Å; T65-Y430 PolarHBondContact OG1-OH 3.05Å; E388-Y430 CarbonylContact O-C 3.41Å; E388-Y430 WeakPolarHBondContact O-CA 3.41Å; A389-Y430 HydrophobicContact CB-CD1 4.32Å; A389-Y430 HydrophobicContact CB-CE1 3.96Å; F427-Y430 HydrophobicContact CE1-CE2 4.48Å; F427-Y430 HydrophobicContact CE2-CD1 4.38Å; F427-Y430 HydrophobicContact CE2-CD2 4.12Å; F427-Y430 HydrophobicContact CE2-CE1 4.22Å; F427-Y430 AromaticContact CE2-CE2 3.95Å; F427-Y430 HydrophobicContact CE2-CE2 3.95Å; F427-Y430 HydrophobicContact CE2-CG 4.32Å; F427-Y430 AromaticContact CZ-CD2 3.53Å; F427-Y430 HydrophobicContact CZ-CD2 3.53Å; F427-Y430 AromaticContact CZ-CE2 3.51Å; F427-Y430 HydrophobicContact CZ-CE2 3.51Å; F427-Y430 HydrophobicContact CZ-CG 4.07Å
431G65.3Low72.7Confident9 Ų963.6 Ų63.69%0.09334%0.342CS..EExtended strand (participates in β ladder)trans-173.2-162178.900000110.9E388 V390E388-G431 CarbonylContact C-O 3.55Å; E388-G431 PolarHBondContact N-O 3.49Å; E388-G431 PolarHBondContact O-N 3.01Å; V390-G431 WeakPolarHBondContact CG2-O 3.35Å
432G65.5Low73.4Confident25 Ų2560.6 Ų60.626%0.25833%0.33SS..  trans-177.1158.6170.600000110.9H437G432-H437 VanDerWaalsContact CA-CD2 3.42Å; G432-H437 WeakPolarHBondContact CA-CD2 3.32Å; G432-H437 WeakPolarHBondContact O-CB 3.2Å
433E66Low74.4Confident150 Ų15057.2 Ų57.270%0.70131%0.312SS*.SBendtrans-90.7-8-176.8-63.7-170162.700113.2
434S71.6Confident75.1Confident57 Ų5759.1 Ų59.140%0.39932%0.319SS..SBendtrans-64.6153.4-179.384.40000112.2Y436 H437 R438S434-Y436 PolarHBondContact O-N 2.82Å; S434-Y436 VanDerWaalsContact O-N 3.15Å; S434-H437 PolarHBondContact O-N 3.3Å; S434-H437 VanDerWaalsContact O-N 3.1Å; S434-H437 PolarHBondContact OG-CD2 2.87Å; S434-H437 PolarHBondContact OG-N 3.29Å; S434-R438 PolarHBondContact O-N 3.3Å
435G73.2Confident75.9Confident59 Ų5960.1 Ų60.161%0.60833%0.329SS*.Hα-helixtrans-56.8-29.6176.600000113.2A439G435-A439 WeakPolarHBondContact O-CB 3.2Å; G435-A439 PolarHBondContact O-N 3.29Å; G435-A439 VanDerWaalsContact O-N 3.13Å
436Y78.3Confident76.7Confident45 Ų4562.2 Ų62.218%0.17634%0.335CS..Hα-helixtrans-63.4-48.2174.3170.5-100000112.4I51 H55 S386 S434 R438 A439 L440 L443I51-Y436 HydrophobicContact CG2-CD2 4.11Å; I51-Y436 HydrophobicContact CG2-CE2 3.51Å; H55-Y436 HydrophobicContact CB-CE1 4.47Å; S386-Y436 WeakPolarHBondContact CB-OH 3.46Å; S386-Y436 PolarHBondContact OG-OH 2.94Å; S434-Y436 PolarHBondContact O-N 2.82Å; S434-Y436 VanDerWaalsContact O-N 3.15Å; Y436-R438 VanDerWaalsContact C-N 3.31Å; Y436-R438 PolarHBondContact O-N 3.48Å; Y436-A439 CarbonylContact O-C 3.58Å; Y436-A439 WeakPolarHBondContact O-CA 3.44Å; Y436-A439 PolarHBondContact O-N 3.08Å; Y436-L440 HydrophobicContact CE1-CD1 4.2Å; Y436-L440 PolarHBondContact O-N 3.25Å; Y436-L440 VanDerWaalsContact O-N 3.11Å; Y436-L443 HydrophobicContact CD2-CD1 4.23Å; Y436-L443 HydrophobicContact CE2-CD1 3.8Å
437H75.3Confident77.9Confident25 Ų2559.1 Ų59.112%0.11632%0.321CS..Hα-helixtrans-66.5-32.9-179.4-64.6-64.8000112.5S386 G432 S434 A439 L440S386-H437 PolarHBondContact O-CE1 3.31Å; S386-H437 VanDerWaalsContact O-CE1 3.29Å; G432-H437 VanDerWaalsContact CA-CD2 3.42Å; G432-H437 WeakPolarHBondContact CA-CD2 3.32Å; G432-H437 WeakPolarHBondContact O-CB 3.2Å; S434-H437 PolarHBondContact O-N 3.3Å; S434-H437 VanDerWaalsContact O-N 3.1Å; S434-H437 PolarHBondContact OG-CD2 2.87Å; S434-H437 PolarHBondContact OG-N 3.29Å; H437-A439 VanDerWaalsContact C-N 3.3Å; H437-L440 WeakPolarHBondContact O-CB 3.47Å; H437-L440 PolarHBondContact O-N 3.48Å
438R77.1Confident79.1Confident203 Ų20358.8 Ų58.877%0.76633%0.325SS*.Hα-helixtrans-67-32.6171.6-64.6-175.3-172.3176.63112.2S434 Y436S434-R438 PolarHBondContact O-N 3.3Å; Y436-R438 VanDerWaalsContact C-N 3.31Å; Y436-R438 PolarHBondContact O-N 3.48Å
439A84Confident80.4Confident45 Ų4560 Ų6037%0.37233%0.328SS..Hα-helixtrans-81.5-9.9178.800000114.1G435 Y436 H437 L441 G442 L443G435-A439 WeakPolarHBondContact O-CB 3.2Å; G435-A439 PolarHBondContact O-N 3.29Å; G435-A439 VanDerWaalsContact O-N 3.13Å; Y436-A439 CarbonylContact O-C 3.58Å; Y436-A439 WeakPolarHBondContact O-CA 3.44Å; Y436-A439 PolarHBondContact O-N 3.08Å; H437-A439 VanDerWaalsContact C-N 3.3Å; A439-L441 VanDerWaalsContact C-N 3.32Å; A439-L441 PolarHBondContact O-N 2.89Å; A439-G442 CarbonylContact O-C 3.46Å; A439-G442 WeakPolarHBondContact O-CA 3.29Å; A439-G442 PolarHBondContact O-N 2.98Å; A439-L443 WeakPolarHBondContact O-CG 3.47Å; A439-L443 PolarHBondContact O-N 2.91Å
440L83.8Confident82Confident19 Ų1957.2 Ų57.210%0.09932%0.315CS..Hα-helixtrans-56.5-41.5-172.4-163.180.1000113.7L383 S386 Y436 H437 G442 L443 Q444L383-L440 HydrophobicContact CD2-CD1 4.09Å; L383-L440 WeakPolarHBondContact O-CD1 3.42Å; S386-L440 WeakPolarHBondContact OG-CD1 3.49Å; Y436-L440 HydrophobicContact CE1-CD1 4.2Å; Y436-L440 PolarHBondContact O-N 3.25Å; Y436-L440 VanDerWaalsContact O-N 3.11Å; H437-L440 WeakPolarHBondContact O-CB 3.47Å; H437-L440 PolarHBondContact O-N 3.48Å; L440-G442 VanDerWaalsContact C-N 3.32Å; L440-G442 PolarHBondContact O-N 3.4Å; L440-L443 PolarHBondContact O-N 3.46Å; L440-Q444 WeakPolarHBondContact O-CG 3.37Å; L440-Q444 PolarHBondContact O-N 2.9Å
441L83.5Confident83.5Confident129 Ų12955.3 Ų55.368%0.67531%0.309SS*.Hα-helixtrans-62.6-42.3175.6-179.763.6000111.2A439 Q444 I445A439-L441 VanDerWaalsContact C-N 3.32Å; A439-L441 PolarHBondContact O-N 2.89Å; L441-Q444 PolarHBondContact O-N 3.38Å; L441-I445 HydrophobicContact CD1-CD1 4.35Å; L441-I445 HydrophobicContact CG-CD1 4.07Å; L441-I445 VanDerWaalsContact O-CG1 3.3Å; L441-I445 WeakPolarHBondContact O-CG1 3.27Å; L441-I445 PolarHBondContact O-N 3.16Å
442G87.6Confident85Confident43 Ų4357 Ų5744%0.44331%0.314SS..Hα-helixtrans-62.2-41.617500000112.2A439 L440 I445 F446A439-G442 CarbonylContact O-C 3.46Å; A439-G442 WeakPolarHBondContact O-CA 3.29Å; A439-G442 PolarHBondContact O-N 2.98Å; L440-G442 VanDerWaalsContact C-N 3.32Å; L440-G442 PolarHBondContact O-N 3.4Å; G442-I445 PolarHBondContact O-N 3.28Å; G442-F446 WeakPolarHBondContact O-CB 3.12Å; G442-F446 PolarHBondContact O-N 3.32Å
443L90.9Very high86.5Confident35 Ų3556 Ų5618%0.18330%0.302CS..Hα-helixtrans-64.5-38.4175.8-65177.2000112.3V48 L383 Y436 A439 L440 F446 N447V48-L443 HydrophobicContact CG1-CD2 4.29Å; V48-L443 HydrophobicContact CG2-CD2 3.95Å; L383-L443 HydrophobicContact CD1-CB 4.12Å; L383-L443 HydrophobicContact CD2-CB 4.07Å; L383-L443 HydrophobicContact CD2-CD1 4.05Å; Y436-L443 HydrophobicContact CD2-CD1 4.23Å; Y436-L443 HydrophobicContact CE2-CD1 3.8Å; A439-L443 WeakPolarHBondContact O-CG 3.47Å; A439-L443 PolarHBondContact O-N 2.91Å; L440-L443 PolarHBondContact O-N 3.46Å; L443-F446 PolarHBondContact O-N 3.29Å; L443-N447 VanDerWaalsContact O-CB 3.3Å; L443-N447 WeakPolarHBondContact O-CB 3.44Å; L443-N447 PolarHBondContact O-N 3.31Å
444Q89.9Confident88Confident47 Ų4750.1 Ų50.122%0.2228%0.275CS..Hα-helixtrans-68-41.2175-73.2-73.813.400112.3A380 L383 L440 L441 F446 N447 A448A380-Q444 PolarHBondContact O-NE2 3.32Å; L383-Q444 HydrophobicContact CB-CG 4.28Å; L383-Q444 HydrophobicContact CD1-CG 4.29Å; L440-Q444 WeakPolarHBondContact O-CG 3.37Å; L440-Q444 PolarHBondContact O-N 2.9Å; L441-Q444 PolarHBondContact O-N 3.38Å; Q444-F446 VanDerWaalsContact C-N 3.35Å; Q444-N447 PolarHBondContact O-N 3.02Å; Q444-A448 PolarHBondContact O-N 2.83Å
445I90.2Very high89.2Confident91 Ų9148 Ų4847%0.46726%0.261SS..Hα-helixtrans-63.2-44.1174.2-68.1166.8000110.1L441 G442 A448 F449L441-I445 HydrophobicContact CD1-CD1 4.35Å; L441-I445 HydrophobicContact CG-CD1 4.07Å; L441-I445 VanDerWaalsContact O-CG1 3.3Å; L441-I445 WeakPolarHBondContact O-CG1 3.27Å; L441-I445 PolarHBondContact O-N 3.16Å; G442-I445 PolarHBondContact O-N 3.28Å; I445-A448 PolarHBondContact O-N 3.29Å; I445-F449 WeakPolarHBondContact O-CB 3.48Å; I445-F449 PolarHBondContact O-N 2.99Å
446F93.7Very high90.3Very high65 Ų6545.6 Ų45.629%0.28524%0.235SC..Hα-helixtrans-61.8-43.6175.5177.5-105.9000112Y45 V48 G442 L443 Q444 A448 F449 M450Y45-F446 HydrophobicContact CD2-CE1 4.09Å; V48-F446 HydrophobicContact CG2-CD1 3.99Å; V48-F446 HydrophobicContact CG2-CE1 3.93Å; G442-F446 WeakPolarHBondContact O-CB 3.12Å; G442-F446 PolarHBondContact O-N 3.32Å; L443-F446 PolarHBondContact O-N 3.29Å; Q444-F446 VanDerWaalsContact C-N 3.35Å; F446-A448 PolarHBondContact O-N 3.5Å; F446-F449 WeakPolarHBondContact O-CB 3.29Å; F446-F449 PolarHBondContact O-N 3.49Å; F446-F449 VanDerWaalsContact O-N 3.16Å; F446-M450 HydrophobicContact CD1-CG 4.29Å; F446-M450 HydrophobicContact CD2-CG 4.22Å; F446-M450 HydrophobicContact CE1-CG 3.83Å; F446-M450 HydrophobicContact CE2-CG 3.74Å; F446-M450 HydrophobicContact CE2-SD 3.91Å; F446-M450 HydrophobicContact CG-CG 4.48Å; F446-M450 HydrophobicContact CZ-CG 3.53Å; F446-M450 HydrophobicContact CZ-SD 3.91Å; F446-M450 WeakPolarHBondContact O-CG 3.43Å; F446-M450 PolarHBondContact O-N 3.13Å
447N94.8Very high91.3Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-58.8-45.8175177.441.2000111.8Y45 W376 A380 L383 L443 Q444 F449 M450 F451Y45-N447 HydrophobicContact CE2-CB 4.22Å; Y45-N447 WeakPolarHBondContact CE2-OD1 3.28Å; Y45-N447 VanDerWaalsContact CZ-OD1 3.3Å; Y45-N447 PolarHBondContact OH-OD1 3.19Å; W376-N447 PolarHBondContact O-ND2 2.91Å; A380-N447 WeakPolarHBondContact CB-ND2 3.34Å; A380-N447 PolarHBondContact N-ND2 3.36Å; L383-N447 HydrophobicContact CD1-CB 4.31Å; L443-N447 VanDerWaalsContact O-CB 3.3Å; L443-N447 WeakPolarHBondContact O-CB 3.44Å; L443-N447 PolarHBondContact O-N 3.31Å; Q444-N447 PolarHBondContact O-N 3.02Å; N447-F449 VanDerWaalsContact C-N 3.34Å; N447-F449 PolarHBondContact O-N 2.92Å; N447-M450 PolarHBondContact O-N 3.06Å; N447-F451 PolarHBondContact O-N 2.87Å
448A93Very high92.3Very high31 Ų3144.1 Ų44.126%0.25623%0.23SC..Hα-helixtrans-63.6-39.5174.700000112.1Q444 I445 F446 F451 F452Q444-A448 PolarHBondContact O-N 2.83Å; I445-A448 PolarHBondContact O-N 3.29Å; F446-A448 PolarHBondContact O-N 3.5Å; A448-F451 WeakPolarHBondContact O-CB 3.46Å; A448-F451 PolarHBondContact O-N 3.22Å; A448-F452 WeakPolarHBondContact O-CD2 3.37Å; A448-F452 PolarHBondContact O-N 2.94Å; A448-F452 VanDerWaalsContact O-N 3.15Å
449F96.1Very high93.2Very high43 Ų4338 Ų3819%0.18921%0.212CC..Hα-helixtrans-62.4-48.4176.3172.1-92.4000112.9I445 F446 N447 F451 F452 W453 L508 I512 I515I445-F449 WeakPolarHBondContact O-CB 3.48Å; I445-F449 PolarHBondContact O-N 2.99Å; F446-F449 WeakPolarHBondContact O-CB 3.29Å; F446-F449 PolarHBondContact O-N 3.49Å; F446-F449 VanDerWaalsContact O-N 3.16Å; N447-F449 VanDerWaalsContact C-N 3.34Å; N447-F449 PolarHBondContact O-N 2.92Å; F449-F451 VanDerWaalsContact C-N 3.27Å; F449-F451 PolarHBondContact O-N 3.5Å; F449-F452 PolarHBondContact O-N 2.86Å; F449-W453 HydrophobicContact CD1-CE3 4.3Å; F449-W453 HydrophobicContact CE1-CD2 4.32Å; F449-W453 AromaticContact CE1-CE3 3.37Å; F449-W453 HydrophobicContact CE1-CE3 3.37Å; F449-W453 AromaticContact CE1-CZ3 3.85Å; F449-W453 HydrophobicContact CE1-CZ3 3.85Å; F449-W453 HydrophobicContact CZ-CD2 4.37Å; F449-W453 AromaticContact CZ-CE3 3.75Å; F449-W453 HydrophobicContact CZ-CE3 3.75Å; F449-W453 HydrophobicContact CZ-CZ3 4.24Å; F449-W453 WeakPolarHBondContact O-CB 3.3Å; F449-W453 PolarHBondContact O-N 2.99Å; F449-L508 HydrophobicContact CE2-CD1 4.04Å; F449-L508 HydrophobicContact CZ-CD1 3.5Å; F449-I512 HydrophobicContact CE2-CG1 4.14Å; F449-I515 HydrophobicContact CB-CD1 3.32Å; F449-I515 HydrophobicContact CD2-CD1 3.33Å; F449-I515 HydrophobicContact CE2-CD1 4.49Å; F449-I515 HydrophobicContact CG-CD1 3.75Å
450M96.8Very high93.8Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-61.8-37.6177.5-71-53.9-58.300111.8A41 Y45 F446 N447 W453 L454A41-M450 HydrophobicContact CB-CE 3.8Å; A41-M450 HydrophobicContact CB-SD 3.9Å; Y45-M450 HydrophobicContact CD1-CB 3.81Å; Y45-M450 HydrophobicContact CD1-CE 4.4Å; Y45-M450 HydrophobicContact CD1-CG 4.32Å; Y45-M450 HydrophobicContact CD2-CB 3.76Å; Y45-M450 HydrophobicContact CD2-CG 3.85Å; Y45-M450 HydrophobicContact CE1-CB 3.84Å; Y45-M450 HydrophobicContact CE2-CB 3.83Å; Y45-M450 HydrophobicContact CE2-CG 4.37Å; Y45-M450 HydrophobicContact CG-CB 3.76Å; Y45-M450 HydrophobicContact CG-CE 4.39Å; Y45-M450 HydrophobicContact CG-CG 3.83Å; F446-M450 HydrophobicContact CD1-CG 4.29Å; F446-M450 HydrophobicContact CD2-CG 4.22Å; F446-M450 HydrophobicContact CE1-CG 3.83Å; F446-M450 HydrophobicContact CE2-CG 3.74Å; F446-M450 HydrophobicContact CE2-SD 3.91Å; F446-M450 HydrophobicContact CG-CG 4.48Å; F446-M450 HydrophobicContact CZ-CG 3.53Å; F446-M450 HydrophobicContact CZ-SD 3.91Å; F446-M450 WeakPolarHBondContact O-CG 3.43Å; F446-M450 PolarHBondContact O-N 3.13Å; N447-M450 PolarHBondContact O-N 3.06Å; M450-W453 HydrophobicContact CE-CE3 4.33Å; M450-W453 PolarHBondContact O-N 2.83Å; M450-W453 HydrophobicContact SD-CE3 3.88Å; M450-W453 HydrophobicContact SD-CZ3 4.25Å; M450-L454 HydrophobicContact CE-CD1 4.33Å; M450-L454 HydrophobicContact CE-CG 4.29Å; M450-L454 WeakPolarHBondContact O-CB 3.29Å; M450-L454 VanDerWaalsContact O-CG 3.29Å; M450-L454 WeakPolarHBondContact O-CG 3.43Å; M450-L454 PolarHBondContact O-N 3.44Å
451F96.4Very high94.4Very high40 Ų4035.4 Ų35.418%0.17519%0.192CC..Hα-helixtrans-58-53.7173.3169.6-106.1000112.4I373 W376 N447 A448 F449 W453 L454 A455I373-F451 HydrophobicContact CB-CE2 4.44Å; I373-F451 HydrophobicContact CG1-CE2 3.63Å; I373-F451 HydrophobicContact CG1-CZ 4.07Å; W376-F451 HydrophobicContact CB-CB 3.97Å; W376-F451 HydrophobicContact CB-CD2 3.76Å; W376-F451 HydrophobicContact CB-CG 4.09Å; W376-F451 AromaticContact CD1-CG 4Å; W376-F451 HydrophobicContact CD2-CD2 4.39Å; W376-F451 HydrophobicContact CD2-CG 4.29Å; W376-F451 HydrophobicContact CG-CB 3.74Å; W376-F451 AromaticContact CG-CD2 3.94Å; W376-F451 HydrophobicContact CG-CD2 3.94Å; W376-F451 AromaticContact CG-CG 3.83Å; W376-F451 HydrophobicContact CG-CG 3.83Å; N447-F451 PolarHBondContact O-N 2.87Å; A448-F451 WeakPolarHBondContact O-CB 3.46Å; A448-F451 PolarHBondContact O-N 3.22Å; F449-F451 VanDerWaalsContact C-N 3.27Å; F449-F451 PolarHBondContact O-N 3.5Å; F451-W453 VanDerWaalsContact C-N 3.31Å; F451-W453 PolarHBondContact O-N 2.64Å; F451-L454 PolarHBondContact O-N 3.47Å; F451-A455 WeakPolarHBondContact O-CB 2.91Å; F451-A455 PolarHBondContact O-N 2.93Å
452F96.6Very high95Very high46 Ų4629.5 Ų29.520%0.20216%0.162CC..Hα-helixtrans-61.7-41.1179.1-77.4-67.2000111.7A448 F449 N456 A511 Q514 I515 V518A448-F452 WeakPolarHBondContact O-CD2 3.37Å; A448-F452 PolarHBondContact O-N 2.94Å; A448-F452 VanDerWaalsContact O-N 3.15Å; F449-F452 PolarHBondContact O-N 2.86Å; F452-N456 WeakPolarHBondContact O-CB 3.38Å; F452-N456 PolarHBondContact O-N 3.33Å; F452-N456 PolarHBondContact O-ND2 2.81Å; F452-A511 HydrophobicContact CB-CB 3.98Å; F452-Q514 HydrophobicContact CD1-CB 4.02Å; F452-Q514 VanDerWaalsContact CD1-OE1 3.3Å; F452-Q514 HydrophobicContact CE1-CB 4.29Å; F452-Q514 HydrophobicContact CG-CB 4.34Å; F452-I515 HydrophobicContact CD2-CD1 4.37Å; F452-I515 HydrophobicContact CD2-CG1 3.69Å; F452-I515 HydrophobicContact CE2-CG1 4.25Å; F452-I515 HydrophobicContact CG-CG1 4.47Å; F452-V518 HydrophobicContact CE2-CG2 4.08Å; F452-V518 HydrophobicContact CZ-CG2 3.81Å
453W97.8Very high95.4Very high2 Ų229.7 Ų29.71%0.00815%0.152CC..Hα-helixtrans-66.1-48.2-179-167.98.9000112.3F37 L38 A41 F449 M450 F451 N456 F457 A504 L508 A511F37-W453 AromaticContact CD1-CH2 3.23Å; F37-W453 HydrophobicContact CD1-CH2 3.23Å; F37-W453 AromaticContact CD1-CZ2 3.95Å; F37-W453 HydrophobicContact CD1-CZ2 3.95Å; F37-W453 HydrophobicContact CD1-CZ3 4.09Å; F37-W453 AromaticContact CE1-CH2 3.31Å; F37-W453 HydrophobicContact CE1-CH2 3.31Å; F37-W453 HydrophobicContact CE1-CZ2 4.23Å; F37-W453 AromaticContact CE1-CZ3 3.72Å; F37-W453 HydrophobicContact CE1-CZ3 3.72Å; F37-W453 HydrophobicContact CG-CH2 4.26Å; F37-W453 HydrophobicContact CZ-CH2 4.41Å; L38-W453 HydrophobicContact CB-CH2 4.42Å; L38-W453 HydrophobicContact CB-CZ2 4.18Å; L38-W453 HydrophobicContact CD1-CD2 4.25Å; L38-W453 HydrophobicContact CD1-CH2 4.21Å; L38-W453 HydrophobicContact CD1-CZ2 3.86Å; A41-W453 HydrophobicContact CB-CE3 4.39Å; A41-W453 HydrophobicContact CB-CH2 4.02Å; A41-W453 HydrophobicContact CB-CZ3 3.52Å; F449-W453 HydrophobicContact CD1-CE3 4.3Å; F449-W453 HydrophobicContact CE1-CD2 4.32Å; F449-W453 AromaticContact CE1-CE3 3.37Å; F449-W453 HydrophobicContact CE1-CE3 3.37Å; F449-W453 AromaticContact CE1-CZ3 3.85Å; F449-W453 HydrophobicContact CE1-CZ3 3.85Å; F449-W453 HydrophobicContact CZ-CD2 4.37Å; F449-W453 AromaticContact CZ-CE3 3.75Å; F449-W453 HydrophobicContact CZ-CE3 3.75Å; F449-W453 HydrophobicContact CZ-CZ3 4.24Å; F449-W453 WeakPolarHBondContact O-CB 3.3Å; F449-W453 PolarHBondContact O-N 2.99Å; M450-W453 HydrophobicContact CE-CE3 4.33Å; M450-W453 PolarHBondContact O-N 2.83Å; M450-W453 HydrophobicContact SD-CE3 3.88Å; M450-W453 HydrophobicContact SD-CZ3 4.25Å; F451-W453 VanDerWaalsContact C-N 3.31Å; F451-W453 PolarHBondContact O-N 2.64Å; W453-N456 PolarHBondContact O-N 3.34Å; W453-F457 WeakPolarHBondContact O-CB 3.48Å; W453-F457 PolarHBondContact O-N 2.7Å; W453-A504 PolarHBondContact NE1-O 3.34Å; W453-L508 HydrophobicContact CD2-CD1 3.97Å; W453-L508 HydrophobicContact CE3-CD1 4.21Å; W453-L508 HydrophobicContact CH2-CD1 4.39Å; W453-L508 HydrophobicContact CZ2-CB 4.18Å; W453-L508 HydrophobicContact CZ2-CD1 4.09Å; W453-L508 HydrophobicContact CZ2-CD2 4.31Å; W453-L508 HydrophobicContact CZ2-CG 4.43Å; W453-L508 HydrophobicContact CZ3-CD1 4.41Å; W453-A511 HydrophobicContact CB-CB 3.94Å; W453-A511 HydrophobicContact CG-CB 4.46Å
454L97.4Very high95.7Very high27 Ų2728.3 Ų28.314%0.14115%0.145CC..Hα-helixtrans-67.6-39.6178.4-66.5176.3000112.3L38 I42 Y45 M450 F451 N456 F457 V458L38-L454 HydrophobicContact CD1-CD2 4.15Å; I42-L454 HydrophobicContact CD1-CD2 4.1Å; I42-L454 HydrophobicContact CG1-CD2 3.96Å; Y45-L454 HydrophobicContact CD1-CD1 3.95Å; Y45-L454 HydrophobicContact CE1-CD1 3.99Å; M450-L454 HydrophobicContact CE-CD1 4.33Å; M450-L454 HydrophobicContact CE-CG 4.29Å; M450-L454 WeakPolarHBondContact O-CB 3.29Å; M450-L454 VanDerWaalsContact O-CG 3.29Å; M450-L454 WeakPolarHBondContact O-CG 3.43Å; M450-L454 PolarHBondContact O-N 3.44Å; F451-L454 PolarHBondContact O-N 3.47Å; L454-N456 PolarHBondContact O-N 2.78Å; L454-F457 WeakPolarHBondContact O-CB 3.39Å; L454-F457 PolarHBondContact O-N 2.97Å; L454-V458 WeakPolarHBondContact O-CG2 3.39Å; L454-V458 PolarHBondContact O-N 2.87Å
455A96.5Very high96Very high13 Ų1326 Ų2611%0.10713%0.134CC..Hα-helixtrans-61.4-45.2175.400000111.6L369 F451 F457 V458 L459L369-A455 HydrophobicContact CD2-CB 3.91Å; F451-A455 WeakPolarHBondContact O-CB 2.91Å; F451-A455 PolarHBondContact O-N 2.93Å; A455-F457 VanDerWaalsContact C-N 3.33Å; A455-F457 PolarHBondContact O-N 2.72Å; A455-V458 PolarHBondContact O-N 3.08Å; A455-L459 WeakPolarHBondContact O-CG 3.49Å; A455-L459 PolarHBondContact O-N 3.04Å; A455-L459 VanDerWaalsContact O-N 3.1Å
456N97.6Very high96.3Very high9 Ų922.1 Ų22.15%0.04811%0.114CC..Hα-helixtrans-67.2-33.4175.8-73.3-53.4000112.5F452 W453 L454 L459 A460 A507 L510 Q514F452-N456 WeakPolarHBondContact O-CB 3.38Å; F452-N456 PolarHBondContact O-N 3.33Å; F452-N456 PolarHBondContact O-ND2 2.81Å; W453-N456 PolarHBondContact O-N 3.34Å; L454-N456 PolarHBondContact O-N 2.78Å; N456-L459 PolarHBondContact O-N 3.12Å; N456-A460 WeakPolarHBondContact O-CB 3.46Å; N456-A460 PolarHBondContact O-N 2.93Å; N456-A507 HydrophobicContact CB-CB 3.79Å; N456-L510 HydrophobicContact CB-CD2 4.45Å; N456-L510 WeakPolarHBondContact OD1-CD2 3.41Å; N456-Q514 PolarHBondContact ND2-OE1 3.31Å
457F97.8Very high96.4Very high26 Ų2619 Ų1911%0.11410%0.1CC..Hα-helixtrans-63.1-44.9174.2177.3-93000111.6L38 W453 L454 A455 L459 A460 L461 T500 L503 A504 A507L38-F457 HydrophobicContact CD2-CD2 3.82Å; L38-F457 HydrophobicContact CD2-CE2 3.71Å; L38-F457 HydrophobicContact CD2-CG 4.36Å; L38-F457 HydrophobicContact CD2-CZ 4.18Å; W453-F457 WeakPolarHBondContact O-CB 3.48Å; W453-F457 PolarHBondContact O-N 2.7Å; L454-F457 WeakPolarHBondContact O-CB 3.39Å; L454-F457 PolarHBondContact O-N 2.97Å; A455-F457 VanDerWaalsContact C-N 3.33Å; A455-F457 PolarHBondContact O-N 2.72Å; F457-L459 VanDerWaalsContact C-N 3.32Å; F457-L459 PolarHBondContact O-N 3.05Å; F457-A460 PolarHBondContact O-N 3.01Å; F457-L461 WeakPolarHBondContact O-CB 3.35Å; F457-L461 PolarHBondContact O-N 3.33Å; F457-T500 HydrophobicContact CE2-CG2 3.97Å; F457-T500 HydrophobicContact CZ-CG2 3.92Å; F457-L503 HydrophobicContact CD2-CB 3.99Å; F457-L503 HydrophobicContact CE2-CB 3.73Å; F457-L503 HydrophobicContact CE2-CD2 4.48Å; F457-A504 HydrophobicContact CD2-CB 4.32Å; F457-A504 HydrophobicContact CE2-CB 4.43Å; F457-A507 HydrophobicContact CB-CB 4.07Å
458V96.8Very high96.4Very high13 Ų1319.1 Ų19.18%0.07910%0.101CC..Hα-helixtrans-60.2-42.1175.4169.80000111.3T365 L368 L369 L454 A455 L461 G462T365-V458 HydrophobicContact CG2-CG1 4.16Å; L368-V458 HydrophobicContact CB-CB 4.47Å; L368-V458 HydrophobicContact CB-CG1 3.58Å; L368-V458 HydrophobicContact CB-CG2 3.97Å; L368-V458 HydrophobicContact CD1-CG1 4.11Å; L369-V458 HydrophobicContact CD2-CB 4.16Å; L369-V458 HydrophobicContact CD2-CG1 4.05Å; L369-V458 HydrophobicContact CG-CG1 4.02Å; L454-V458 WeakPolarHBondContact O-CG2 3.39Å; L454-V458 PolarHBondContact O-N 2.87Å; A455-V458 PolarHBondContact O-N 3.08Å; V458-L461 PolarHBondContact O-N 3.28Å; V458-G462 PolarHBondContact O-N 2.98Å
459L95.8Very high96.5Very high75 Ų7517.6 Ų17.639%0.3939%0.089SC..Hα-helixtrans-64.7-44.1175.1-67.4175.2000112.1T365 L369 A455 N456 F457 L461 G462 Q463T365-L459 HydrophobicContact CG2-CD2 4Å; L369-L459 HydrophobicContact CD1-CD2 4.13Å; A455-L459 WeakPolarHBondContact O-CG 3.49Å; A455-L459 PolarHBondContact O-N 3.04Å; A455-L459 VanDerWaalsContact O-N 3.1Å; N456-L459 PolarHBondContact O-N 3.12Å; F457-L459 VanDerWaalsContact C-N 3.32Å; F457-L459 PolarHBondContact O-N 3.05Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 PolarHBondContact O-N 3.41Å; L459-G462 PolarHBondContact O-N 3.3Å; L459-Q463 WeakPolarHBondContact O-CG 3.39Å; L459-Q463 PolarHBondContact O-N 3.48Å
460A96.8Very high96.5Very high1 Ų115.6 Ų15.61%0.0088%0.08CC..Hα-helixtrans-60.6-42.2176.900000111.9N456 F457 G462 Q463 V464 L503 Y561N456-A460 WeakPolarHBondContact O-CB 3.46Å; N456-A460 PolarHBondContact O-N 2.93Å; F457-A460 PolarHBondContact O-N 3.01Å; A460-G462 VanDerWaalsContact C-N 3.28Å; A460-G462 PolarHBondContact O-N 2.85Å; A460-Q463 PolarHBondContact O-N 2.93Å; A460-Q463 VanDerWaalsContact O-N 3.16Å; A460-V464 WeakPolarHBondContact O-CG2 3.41Å; A460-V464 PolarHBondContact O-N 3.28Å; A460-L503 HydrophobicContact CB-CB 4.31Å; A460-L503 HydrophobicContact CB-CG 4.26Å; A460-Y561 HydrophobicContact CB-CD2 4.28Å; A460-Y561 HydrophobicContact CB-CE1 4.09Å; A460-Y561 HydrophobicContact CB-CE2 3.52Å; A460-Y561 VanDerWaalsContact CB-CZ 3.44Å; A460-Y561 WeakPolarHBondContact CB-OH 3.26Å
461L96.9Very high96.3Very high8 Ų815.6 Ų15.64%0.0428%0.08CC..Hα-helixtrans-57.9-42.2175.1-179.560.2000111.5F457 V458 L459 T465 F492 A495 L496 L503F457-L461 WeakPolarHBondContact O-CB 3.35Å; F457-L461 PolarHBondContact O-N 3.33Å; V458-L461 PolarHBondContact O-N 3.28Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 PolarHBondContact O-N 3.41Å; L461-T465 WeakPolarHBondContact O-CB 3.22Å; L461-T465 PolarHBondContact O-N 3.4Å; L461-T465 PolarHBondContact O-OG1 3.03Å; L461-F492 HydrophobicContact CD1-CD2 4.3Å; L461-F492 HydrophobicContact CD1-CE2 4.17Å; L461-F492 HydrophobicContact CD2-CE2 3.67Å; L461-F492 HydrophobicContact CD2-CZ 4.16Å; L461-F492 HydrophobicContact CG-CD2 4.36Å; L461-F492 HydrophobicContact CG-CE2 3.93Å; L461-A495 HydrophobicContact CD1-CB 3.83Å; L461-L496 HydrophobicContact CD1-CD2 3.82Å; L461-L496 HydrophobicContact CD1-CG 4Å; L461-L496 HydrophobicContact CD2-CD2 3.94Å; L461-L503 HydrophobicContact CB-CD2 3.95Å; L461-L503 HydrophobicContact CD1-CD2 3.89Å
462G95.4Very high96.2Very high5 Ų514 Ų145%0.0527%0.074CC..Hα-helixtrans-63.1-44.5173.500000114.3Y361 V458 L459 A460 T465 L466Y361-G462 WeakPolarHBondContact OH-CA 3.49Å; Y361-G462 PolarHBondContact OH-N 3.5Å; V458-G462 PolarHBondContact O-N 2.98Å; L459-G462 PolarHBondContact O-N 3.3Å; A460-G462 VanDerWaalsContact C-N 3.28Å; A460-G462 PolarHBondContact O-N 2.85Å; G462-T465 PolarHBondContact O-N 2.74Å; G462-L466 WeakPolarHBondContact O-CB 3.17Å; G462-L466 VanDerWaalsContact O-CG 3.32Å; G462-L466 WeakPolarHBondContact O-CG 3.49Å; G462-L466 PolarHBondContact O-N 3.42Å
463Q96.4Very high96Very high47 Ų4712.5 Ų12.522%0.227%0.067CC..Hα-helixtrans-63.7-47-179.4-69.1179.9-34.600112.1L459 A460 A467 Y561 M660L459-Q463 WeakPolarHBondContact O-CG 3.39Å; L459-Q463 PolarHBondContact O-N 3.48Å; A460-Q463 PolarHBondContact O-N 2.93Å; A460-Q463 VanDerWaalsContact O-N 3.16Å; Q463-A467 WeakPolarHBondContact O-CB 3.38Å; Q463-A467 PolarHBondContact O-N 3.23Å; Q463-Y561 HydrophobicContact CB-CD2 4.03Å; Q463-M660 HydrophobicContact CB-CE 3.7Å; Q463-M660 HydrophobicContact CB-SD 4.3Å; Q463-M660 HydrophobicContact CG-CE 3.89Å; Q463-M660 HydrophobicContact CG-SD 3.79Å
464V96.6Very high95.7Very high5 Ų513.2 Ų13.23%0.037%0.07CC..Hα-helixtrans-66.1-40.4178.7176.60000111.5A460 G468 A495 L503 Y561 A565A460-V464 WeakPolarHBondContact O-CG2 3.41Å; A460-V464 PolarHBondContact O-N 3.28Å; V464-G468 PolarHBondContact O-N 3.44Å; V464-A495 HydrophobicContact CB-CB 4.44Å; V464-A495 HydrophobicContact CG1-CB 3.88Å; V464-L503 HydrophobicContact CB-CD1 4.47Å; V464-L503 HydrophobicContact CG1-CD1 4.49Å; V464-L503 HydrophobicContact CG2-CD1 3.92Å; V464-L503 HydrophobicContact CG2-CG 4.16Å; V464-Y561 VanDerWaalsContact CG2-CB 3.47Å; V464-Y561 HydrophobicContact CG2-CD1 3.78Å; V464-Y561 HydrophobicContact CG2-CG 3.72Å; V464-A565 HydrophobicContact CG1-CB 4.16Å
465T96.2Very high95.4Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-63.5-50179.4-62.10000111.6Y361 L461 G462 G468 A469 L488 A491 F492Y361-T465 HydrophobicContact CD2-CG2 4.25Å; Y361-T465 HydrophobicContact CE2-CG2 3.62Å; L461-T465 WeakPolarHBondContact O-CB 3.22Å; L461-T465 PolarHBondContact O-N 3.4Å; L461-T465 PolarHBondContact O-OG1 3.03Å; G462-T465 PolarHBondContact O-N 2.74Å; T465-G468 PolarHBondContact O-N 3.18Å; T465-A469 PolarHBondContact O-N 3.44Å; T465-L488 HydrophobicContact CG2-CD1 3.84Å; T465-L488 HydrophobicContact CG2-CG 4.33Å; T465-A491 HydrophobicContact CG2-CB 4.43Å; T465-A491 VanDerWaalsContact O-CB 3.31Å; T465-A491 WeakPolarHBondContact O-CB 3.25Å; T465-F492 HydrophobicContact CG2-CB 3.71Å; T465-F492 HydrophobicContact CG2-CD2 4.16Å; T465-F492 HydrophobicContact CG2-CG 4.46Å
466L96.2Very high95Very high8 Ų812 Ų124%0.0426%0.062CC..Hα-helixtrans-64.2-45.2178.2-70.5173.2000111.2Y361 G462 G468 A469 F470 L488 V657 M660Y361-L466 HydrophobicContact CD1-CD1 4.38Å; Y361-L466 HydrophobicContact CD1-CG 4.38Å; Y361-L466 HydrophobicContact CG-CD2 4.29Å; G462-L466 WeakPolarHBondContact O-CB 3.17Å; G462-L466 VanDerWaalsContact O-CG 3.32Å; G462-L466 WeakPolarHBondContact O-CG 3.49Å; G462-L466 PolarHBondContact O-N 3.42Å; L466-G468 VanDerWaalsContact C-N 3.31Å; L466-G468 PolarHBondContact O-N 2.95Å; L466-A469 PolarHBondContact O-N 2.97Å; L466-F470 HydrophobicContact CB-CD2 4.3Å; L466-F470 HydrophobicContact CB-CE2 4.03Å; L466-F470 HydrophobicContact CD2-CE2 4.15Å; L466-F470 WeakPolarHBondContact O-CD2 3.38Å; L466-F470 WeakPolarHBondContact O-CG 3.2Å; L466-F470 PolarHBondContact O-N 3.26Å; L466-L488 HydrophobicContact CD2-CD1 3.94Å; L466-V657 HydrophobicContact CD1-CG2 4.26Å; L466-V657 HydrophobicContact CD2-CG1 4.12Å; L466-M660 HydrophobicContact CB-CB 4.32Å; L466-M660 HydrophobicContact CD1-CB 4.24Å; L466-M660 HydrophobicContact CD1-CG 4.28Å
467A96.7Very high94.2Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-60.2-41.1177.700000112.1Q463 A469 F470 A471 I562 A565 T664Q463-A467 WeakPolarHBondContact O-CB 3.38Å; Q463-A467 PolarHBondContact O-N 3.23Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A467-A469 PolarHBondContact O-N 3.46Å; A467-F470 PolarHBondContact O-N 2.79Å; A467-A471 WeakPolarHBondContact O-CB 3.42Å; A467-A471 PolarHBondContact O-N 3.39Å; A467-I562 HydrophobicContact CB-CB 4.26Å; A467-I562 HydrophobicContact CB-CG1 3.85Å; A467-I562 HydrophobicContact CB-CG2 4.43Å; A467-A565 HydrophobicContact CB-CB 3.84Å; A467-T664 WeakPolarHBondContact CA-OG1 3.42Å; A467-T664 HydrophobicContact CB-CG2 4.33Å; A467-T664 WeakPolarHBondContact O-CG2 3.28Å
468G95.1Very high93.5Very high2 Ų224.1 Ų24.12%0.02111%0.114CC..Hα-helixtrans-63.5-39.5177.800000112.9V464 T465 L466 S472V464-G468 PolarHBondContact O-N 3.44Å; T465-G468 PolarHBondContact O-N 3.18Å; L466-G468 VanDerWaalsContact C-N 3.31Å; L466-G468 PolarHBondContact O-N 2.95Å; G468-S472 PolarHBondContact O-N 3.37Å; G468-S472 PolarHBondContact O-OG 3.25Å
469A94.7Very high92.9Very high0 Ų026.7 Ų26.70%012%0.124CC..Hα-helixtrans-68-47.4176.800000111.9V355 T465 L466 A467 S472 Y473 P487 L488V355-A469 HydrophobicContact CG1-CB 4.14Å; T465-A469 PolarHBondContact O-N 3.44Å; L466-A469 PolarHBondContact O-N 2.97Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A467-A469 PolarHBondContact O-N 3.46Å; A469-S472 WeakPolarHBondContact O-CB 3.43Å; A469-S472 PolarHBondContact O-N 2.82Å; A469-Y473 PolarHBondContact O-N 3.21Å; A469-P487 HydrophobicContact CB-CB 4.11Å; A469-L488 HydrophobicContact CB-CD1 4.48Å
470F95.2Very high92.3Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-71.9-32.3-179.5-62.8-50.9000113.4A351 V352 V355 L466 A467 S472 Y473 Y474 V657 C661 T664A351-F470 HydrophobicContact CB-CD1 4.24Å; V352-F470 HydrophobicContact CG2-CE1 3.83Å; V352-F470 HydrophobicContact CG2-CZ 3.92Å; V355-F470 HydrophobicContact CB-CE1 4.34Å; L466-F470 HydrophobicContact CB-CD2 4.3Å; L466-F470 HydrophobicContact CB-CE2 4.03Å; L466-F470 HydrophobicContact CD2-CE2 4.15Å; L466-F470 WeakPolarHBondContact O-CD2 3.38Å; L466-F470 WeakPolarHBondContact O-CG 3.2Å; L466-F470 PolarHBondContact O-N 3.26Å; A467-F470 PolarHBondContact O-N 2.79Å; F470-S472 VanDerWaalsContact C-N 3.33Å; F470-Y473 WeakPolarHBondContact O-CB 3.26Å; F470-Y473 PolarHBondContact O-N 3.39Å; F470-Y474 PolarHBondContact O-N 2.95Å; F470-V657 HydrophobicContact CE2-CG1 4.29Å; F470-V657 HydrophobicContact CZ-CG1 3.98Å; F470-C661 HydrophobicContact CD1-CB 4.14Å; F470-C661 VanDerWaalsContact CD1-SG 3.57Å; F470-C661 VanDerWaalsContact CD2-CA 3.46Å; F470-C661 HydrophobicContact CD2-CB 3.64Å; F470-C661 HydrophobicContact CE1-CB 4.06Å; F470-C661 HydrophobicContact CE2-CB 3.54Å; F470-C661 HydrophobicContact CG-CB 3.95Å; F470-C661 HydrophobicContact CZ-CB 3.76Å; F470-T664 HydrophobicContact CB-CG2 3.93Å
471A94.4Very high91.5Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-64.5-39.1171.400000111.4P23 A467 Y473 Y474 W475 I566 T664P23-A471 HydrophobicContact CG-CB 3.78Å; A467-A471 WeakPolarHBondContact O-CB 3.42Å; A467-A471 PolarHBondContact O-N 3.39Å; A471-Y473 VanDerWaalsContact C-N 3.25Å; A471-Y473 PolarHBondContact O-N 2.92Å; A471-Y474 PolarHBondContact O-N 2.95Å; A471-W475 VanDerWaalsContact O-CD1 3.24Å; A471-W475 PolarHBondContact O-N 3.46Å; A471-W475 VanDerWaalsContact O-N 3.17Å; A471-I566 HydrophobicContact CB-CD1 4.49Å; A471-I566 HydrophobicContact CB-CG1 3.8Å; A471-T664 HydrophobicContact CB-CG2 4Å
472S92.7Very high90.9Very high8 Ų836.8 Ų36.86%0.05618%0.183CC..Hα-helixtrans-60.2-38.2174.2-53.50000111.2G468 A469 F470 A476G468-S472 PolarHBondContact O-N 3.37Å; G468-S472 PolarHBondContact O-OG 3.25Å; A469-S472 WeakPolarHBondContact O-CB 3.43Å; A469-S472 PolarHBondContact O-N 2.82Å; F470-S472 VanDerWaalsContact C-N 3.33Å; S472-A476 PolarHBondContact O-N 3.4Å
473Y92.8Very high90.4Very high13 Ų1337.8 Ų37.85%0.05119%0.187CC..Hα-helixtrans-66.7-44.7173.4168.7-91.5000112.9A351 Y354 A469 F470 A471 W475 A476 K479 L483 L665A351-Y473 HydrophobicContact CB-CD1 3.3Å; A351-Y473 HydrophobicContact CB-CD2 4.39Å; A351-Y473 HydrophobicContact CB-CE1 3.33Å; A351-Y473 HydrophobicContact CB-CE2 4.41Å; A351-Y473 HydrophobicContact CB-CG 3.86Å; Y354-Y473 HydrophobicContact CD2-CD2 4Å; Y354-Y473 AromaticContact CD2-CE2 3.32Å; Y354-Y473 HydrophobicContact CD2-CE2 3.32Å; Y354-Y473 AromaticContact CE2-CE2 3.85Å; Y354-Y473 HydrophobicContact CE2-CE2 3.85Å; Y354-Y473 HydrophobicContact CG-CD2 4.21Å; Y354-Y473 AromaticContact CG-CE2 3.98Å; Y354-Y473 HydrophobicContact CG-CE2 3.98Å; A469-Y473 PolarHBondContact O-N 3.21Å; F470-Y473 WeakPolarHBondContact O-CB 3.26Å; F470-Y473 PolarHBondContact O-N 3.39Å; A471-Y473 VanDerWaalsContact C-N 3.25Å; A471-Y473 PolarHBondContact O-N 2.92Å; Y473-W475 PolarHBondContact O-N 3Å; Y473-A476 PolarHBondContact O-N 2.81Å; Y473-K479 HydrophobicContact CD2-CD 4.13Å; Y473-K479 HydrophobicContact CE2-CD 3.54Å; Y473-K479 HydrophobicContact CE2-CG 4.45Å; Y473-K479 WeakPolarHBondContact O-CE 3.28Å; Y473-K479 PolarHBondContact O-NZ 3.29Å; Y473-L483 HydrophobicContact CD2-CD2 4.28Å; Y473-L665 HydrophobicContact CD1-CD2 4.09Å
474Y91.9Very high89.7Confident18 Ų1836.9 Ų36.97%0.07119%0.185CC..Hα-helixtrans-59.7-50.3-176.6-174.7-84.9000111.5F470 A471 A476 L665 C668 F669 D672 F685 M686F470-Y474 PolarHBondContact O-N 2.95Å; A471-Y474 PolarHBondContact O-N 2.95Å; Y474-A476 VanDerWaalsContact C-N 3.3Å; Y474-A476 PolarHBondContact O-N 2.99Å; Y474-L665 HydrophobicContact CD2-CB 4.28Å; Y474-L665 HydrophobicContact CD2-CD2 3.81Å; Y474-L665 HydrophobicContact CG-CD2 4.29Å; Y474-C668 HydrophobicContact CD1-CB 3.41Å; Y474-C668 VanDerWaalsContact CD1-CB 3.41Å; Y474-C668 HydrophobicContact CD2-CB 3.88Å; Y474-C668 HydrophobicContact CE1-CB 3.73Å; Y474-C668 HydrophobicContact CE2-CB 4.16Å; Y474-C668 HydrophobicContact CG-CB 3.51Å; Y474-F669 HydrophobicContact CE2-CB 4.16Å; Y474-F669 WeakPolarHBondContact OH-CA 3.3Å; Y474-D672 HydrophobicContact CE1-CB 4.08Å; Y474-D672 WeakPolarHBondContact OH-CB 3.47Å; Y474-D672 PolarHBondContact OH-OD2 3.24Å; Y474-F685 HydrophobicContact CE1-CB 3.99Å; Y474-M686 WeakPolarHBondContact OH-CB 3.29Å
475W91Very high89.1Confident6 Ų641 Ų412%0.02322%0.219CC..THydrogen-bonded Turntrans-82-1.3-173.3-65.5107.9000114.6F20 G22 A471 Y473 C668 E671 D672 F685F20-W475 AromaticContact CE1-CD2 3.88Å; F20-W475 HydrophobicContact CE1-CD2 3.88Å; F20-W475 AromaticContact CE1-CE2 3.73Å; F20-W475 HydrophobicContact CE1-CE3 4.05Å; F20-W475 AromaticContact CE1-CH2 3.97Å; F20-W475 HydrophobicContact CE1-CH2 3.97Å; F20-W475 AromaticContact CE1-CZ2 3.79Å; F20-W475 HydrophobicContact CE1-CZ2 3.79Å; F20-W475 HydrophobicContact CE1-CZ3 4.1Å; F20-W475 HydrophobicContact CZ-CZ2 4.43Å; G22-W475 VanDerWaalsContact CA-CB 3.41Å; G22-W475 VanDerWaalsContact CA-CG 3.41Å; A471-W475 VanDerWaalsContact O-CD1 3.24Å; A471-W475 PolarHBondContact O-N 3.46Å; A471-W475 VanDerWaalsContact O-N 3.17Å; Y473-W475 PolarHBondContact O-N 3Å; W475-C668 HydrophobicContact CZ2-CB 4.17Å; W475-C668 PolarHBondContact NE1-SG 2.81Å; W475-C668 VanDerWaalsContact NE1-SG 3.45Å; W475-E671 HydrophobicContact CZ2-CB 4.41Å; W475-D672 HydrophobicContact CH2-CB 3.99Å; W475-D672 HydrophobicContact CZ3-CB 4.43Å; W475-F685 HydrophobicContact CE3-CB 4.33Å; W475-F685 HydrophobicContact CE3-CD1 4.04Å; W475-F685 AromaticContact CE3-CD2 3.97Å; W475-F685 HydrophobicContact CE3-CD2 3.97Å; W475-F685 HydrophobicContact CE3-CE1 4.31Å; W475-F685 HydrophobicContact CE3-CE2 4.29Å; W475-F685 AromaticContact CE3-CG 3.85Å; W475-F685 HydrophobicContact CE3-CG 3.85Å; W475-F685 HydrophobicContact CE3-CZ 4.45Å; W475-F685 HydrophobicContact CZ3-CB 4.47Å; W475-F685 AromaticContact CZ3-CD2 3.85Å; W475-F685 HydrophobicContact CZ3-CD2 3.85Å; W475-F685 HydrophobicContact CZ3-CE2 4.26Å; W475-F685 HydrophobicContact CZ3-CG 4.11Å; W475-F685 WeakPolarHBondContact O-CD1 3.49Å; W475-F685 WeakPolarHBondContact O-CE1 3.2Å
476A88.4Confident88.6Confident7 Ų747.8 Ų47.86%0.05825%0.249CC..  trans-75.7127.8171.500000111.2S472 Y473 Y474 K479 D482 L483S472-A476 PolarHBondContact O-N 3.4Å; Y473-A476 PolarHBondContact O-N 2.81Å; Y474-A476 VanDerWaalsContact C-N 3.3Å; Y474-A476 PolarHBondContact O-N 2.99Å; A476-K479 HydrophobicContact CB-CG 4.19Å; A476-K479 PolarHBondContact O-NZ 2.94Å; A476-D482 HydrophobicContact CB-CB 3.91Å; A476-L483 HydrophobicContact CB-CD1 3.5Å
477L81.4Confident88.2Confident110 Ų11048 Ų4858%0.57625%0.251SS*.SBendtrans-81.5-47.3176.8-73.9169.4000111.1D482 F685L477-D482 PolarHBondContact N-OD2 2.91Å; L477-F685 HydrophobicContact CD1-CE1 4.07Å; L477-F685 HydrophobicContact CD1-CZ 4.29Å; L477-F685 HydrophobicContact CD2-CD1 3.59Å; L477-F685 HydrophobicContact CD2-CE1 3.52Å; L477-F685 HydrophobicContact CD2-CG 4.24Å; L477-F685 HydrophobicContact CD2-CZ 4.08Å; L477-F685 HydrophobicContact CG-CD1 3.96Å; L477-F685 HydrophobicContact CG-CE1 3.48Å; L477-F685 VanDerWaalsContact CG-CE1 3.48Å; L477-F685 HydrophobicContact CG-CZ 4.16Å
478R81.6Confident88Confident181 Ų18148.7 Ų48.768%0.68326%0.255SS*.SBendtrans-101.3116.7176.1-62.9-178.2-178.6178.51.4109.4D481 D482R478-D481 PolarHBondContact O-N 3.48Å; R478-D482 PolarHBondContact N-OD2 3.28Å; R478-D482 VanDerWaalsContact O-CB 3.29Å; R478-D482 WeakPolarHBondContact O-CB 3.28Å; R478-D482 PolarHBondContact O-N 3.18Å
479K85.3Confident87.8Confident66 Ų6655.2 Ų55.229%0.28728%0.283SS..THydrogen-bonded Turntrans-112.1124.6-179.4-61.7169.4166.577.80107.5Y354 Y473 A476 L483Y354-K479 HydrophobicContact CE1-CB 4.4Å; Y473-K479 HydrophobicContact CD2-CD 4.13Å; Y473-K479 HydrophobicContact CE2-CD 3.54Å; Y473-K479 HydrophobicContact CE2-CG 4.45Å; Y473-K479 WeakPolarHBondContact O-CE 3.28Å; Y473-K479 PolarHBondContact O-NZ 3.29Å; A476-K479 HydrophobicContact CB-CG 4.19Å; A476-K479 PolarHBondContact O-NZ 2.94Å; K479-L483 HydrophobicContact CB-CD1 4.42Å; K479-L483 HydrophobicContact CG-CD1 4.04Å
480P81.6Confident87.6Confident78 Ų7857.5 Ų57.551%0.50630%0.299SS..THydrogen-bonded Turncis-92.8-5.610.836.3-35.1000116.3Y354 D482 L483Y354-P480 HydrophobicContact CD1-CB 4.33Å; Y354-P480 HydrophobicContact CE1-CB 4.2Å; P480-D482 VanDerWaalsContact C-N 3.33Å; P480-D482 PolarHBondContact O-N 3.44Å; P480-L483 WeakPolarHBondContact O-CB 3.48Å; P480-L483 PolarHBondContact O-N 3.42Å
481D81.8Confident87.5Confident132 Ų13257.7 Ų57.771%0.70630%0.3SS*.THydrogen-bonded Turntrans-58.4-35.2-166.8-55.5-27.6000115.3R478 L483R478-D481 PolarHBondContact O-N 3.48Å; D481-L483 VanDerWaalsContact C-N 3.29Å; D481-L483 PolarHBondContact O-N 3.12Å
482D83.4Confident87.5Confident86 Ų8660.5 Ų60.546%0.4631%0.313SS..THydrogen-bonded Turntrans-84.4-0179.7-61.8-24.8000112.9A476 L477 R478 P480A476-D482 HydrophobicContact CB-CB 3.91Å; L477-D482 PolarHBondContact N-OD2 2.91Å; R478-D482 PolarHBondContact N-OD2 3.28Å; R478-D482 VanDerWaalsContact O-CB 3.29Å; R478-D482 WeakPolarHBondContact O-CB 3.28Å; R478-D482 PolarHBondContact O-N 3.18Å; P480-D482 VanDerWaalsContact C-N 3.33Å; P480-D482 PolarHBondContact O-N 3.44Å
483L85.3Confident87.5Confident26 Ų2661.8 Ų61.814%0.13633%0.328CS..SBendtrans-86.7141.7178.2-8674.4000111.2Y473 A476 K479 P480 D481Y473-L483 HydrophobicContact CD2-CD2 4.28Å; A476-L483 HydrophobicContact CB-CD1 3.5Å; K479-L483 HydrophobicContact CB-CD1 4.42Å; K479-L483 HydrophobicContact CG-CD1 4.04Å; P480-L483 WeakPolarHBondContact O-CB 3.48Å; P480-L483 PolarHBondContact O-N 3.42Å; D481-L483 VanDerWaalsContact C-N 3.29Å; D481-L483 PolarHBondContact O-N 3.12Å
484P82.5Confident87.5Confident28 Ų2862.1 Ų62.118%0.18233%0.329CS..  trans-61.9142.9169.325.8-32.2000110.2F486 P487P484-F486 PolarHBondContact O-N 2.96Å; P484-F486 VanDerWaalsContact O-N 3.1Å; P484-P487 HydrophobicContact CG-CB 3.97Å; P484-P487 HydrophobicContact CG-CG 4.04Å; P484-P487 WeakPolarHBondContact O-CD 3.03Å; P484-P487 VanDerWaalsContact O-CG 3.23Å; P484-P487 WeakPolarHBondContact O-CG 3.26Å
485A82Confident87.6Confident91 Ų9161.3 Ų61.375%0.75233%0.326SS*.SBendtrans-54.3-35.6-176.800000113.7
486F86.6Confident87.7Confident143 Ų14364.4 Ų64.463%0.62734%0.343SS*.SBendtrans-129.478.8176.1-60.6-73.6000110.8P484 L488 F489 S490P484-F486 PolarHBondContact O-N 2.96Å; P484-F486 VanDerWaalsContact O-N 3.1Å; F486-L488 VanDerWaalsContact C-N 3.3Å; F486-L488 PolarHBondContact O-N 3.48Å; F486-F489 HydrophobicContact CB-CB 4.22Å; F486-F489 HydrophobicContact CB-CD2 4.18Å; F486-F489 HydrophobicContact CD1-CD2 4.43Å; F486-F489 PolarHBondContact O-N 2.89Å; F486-S490 VanDerWaalsContact O-CB 3.25Å; F486-S490 WeakPolarHBondContact O-CB 3.07Å; F486-S490 PolarHBondContact O-N 2.72Å
487P88.6Confident88Confident13 Ų1372.9 Ų72.98%0.08437%0.373CS..Hα-helixtrans-60.2-39.4-172.8-20.330.2000113.1V355 A469 P484 A491V355-P487 HydrophobicContact CG1-CB 4.39Å; V355-P487 HydrophobicContact CG2-CB 4.48Å; V355-P487 HydrophobicContact CG2-CG 4.37Å; A469-P487 HydrophobicContact CB-CB 4.11Å; P484-P487 HydrophobicContact CG-CB 3.97Å; P484-P487 HydrophobicContact CG-CG 4.04Å; P484-P487 WeakPolarHBondContact O-CD 3.03Å; P484-P487 VanDerWaalsContact O-CG 3.23Å; P484-P487 WeakPolarHBondContact O-CG 3.26Å; P487-A491 VanDerWaalsContact O-CB 3.23Å; P487-A491 WeakPolarHBondContact O-CB 3.4Å; P487-A491 PolarHBondContact O-N 2.9Å
488L91.6Very high88.6Confident15 Ų1570.2 Ų70.28%0.07936%0.356CS..Hα-helixtrans-68.4-52.1-177.9-170.673.6000112V355 C357 Y361 T465 L466 A469 F486 S490 A491 F492V355-L488 HydrophobicContact CG1-CB 4.44Å; C357-L488 HydrophobicContact CB-CD2 4.01Å; C357-L488 WeakPolarHBondContact O-CD2 3.4Å; Y361-L488 HydrophobicContact CD2-CD1 4.04Å; Y361-L488 HydrophobicContact CD2-CD2 4.16Å; Y361-L488 HydrophobicContact CD2-CG 4.3Å; T465-L488 HydrophobicContact CG2-CD1 3.84Å; T465-L488 HydrophobicContact CG2-CG 4.33Å; L466-L488 HydrophobicContact CD2-CD1 3.94Å; A469-L488 HydrophobicContact CB-CD1 4.48Å; F486-L488 VanDerWaalsContact C-N 3.3Å; F486-L488 PolarHBondContact O-N 3.48Å; L488-S490 VanDerWaalsContact C-N 3.35Å; L488-S490 PolarHBondContact O-N 3.09Å; L488-A491 PolarHBondContact O-N 2.61Å; L488-F492 WeakPolarHBondContact O-CB 3.45Å; L488-F492 PolarHBondContact O-N 3.1Å
489F90.8Very high89.3Confident138 Ų13861.7 Ų61.761%0.60532%0.323SS*.Hα-helixtrans-65-39.6179.5-70.4-76.7000111.9F486 F492 G493F486-F489 HydrophobicContact CB-CB 4.22Å; F486-F489 HydrophobicContact CB-CD2 4.18Å; F486-F489 HydrophobicContact CD1-CD2 4.43Å; F486-F489 PolarHBondContact O-N 2.89Å; F489-F492 PolarHBondContact O-N 3.14Å; F489-G493 PolarHBondContact O-N 3.19Å
490S89.9Confident89.8Confident48 Ų4859.7 Ų59.734%0.33632%0.317SS..Hα-helixtrans-62.5-44.9174.9-171.90000111.4F486 L488 G493 R494F486-S490 VanDerWaalsContact O-CB 3.25Å; F486-S490 WeakPolarHBondContact O-CB 3.07Å; F486-S490 PolarHBondContact O-N 2.72Å; L488-S490 VanDerWaalsContact C-N 3.35Å; L488-S490 PolarHBondContact O-N 3.09Å; S490-G493 PolarHBondContact O-N 3.21Å; S490-R494 WeakPolarHBondContact O-CG 3.43Å; S490-R494 PolarHBondContact O-N 2.98Å; S490-R494 PolarHBondContact OG-NH1 2.91Å
491A93.4Very high90.5Very high4 Ų456 Ų563%0.03329%0.294CS..Hα-helixtrans-64.4-40.7176.200000112.5T465 P487 L488 R494 A495T465-A491 HydrophobicContact CG2-CB 4.43Å; T465-A491 VanDerWaalsContact O-CB 3.31Å; T465-A491 WeakPolarHBondContact O-CB 3.25Å; P487-A491 VanDerWaalsContact O-CB 3.23Å; P487-A491 WeakPolarHBondContact O-CB 3.4Å; P487-A491 PolarHBondContact O-N 2.9Å; L488-A491 PolarHBondContact O-N 2.61Å; A491-R494 PolarHBondContact O-N 3.01Å; A491-A495 WeakPolarHBondContact O-CB 3.49Å; A491-A495 PolarHBondContact O-N 2.88Å
492F94.5Very high91.2Very high59 Ų5949.8 Ų49.826%0.25926%0.26SS..Hα-helixtrans-60.5-48.5176.1-176.8-97.7000111.7Y361 L461 T465 L488 F489 R494 A495 L496Y361-F492 HydrophobicContact CE2-CD2 4.07Å; L461-F492 HydrophobicContact CD1-CD2 4.3Å; L461-F492 HydrophobicContact CD1-CE2 4.17Å; L461-F492 HydrophobicContact CD2-CE2 3.67Å; L461-F492 HydrophobicContact CD2-CZ 4.16Å; L461-F492 HydrophobicContact CG-CD2 4.36Å; L461-F492 HydrophobicContact CG-CE2 3.93Å; T465-F492 HydrophobicContact CG2-CB 3.71Å; T465-F492 HydrophobicContact CG2-CD2 4.16Å; T465-F492 HydrophobicContact CG2-CG 4.46Å; L488-F492 WeakPolarHBondContact O-CB 3.45Å; L488-F492 PolarHBondContact O-N 3.1Å; F489-F492 PolarHBondContact O-N 3.14Å; F492-R494 VanDerWaalsContact C-N 3.34Å; F492-R494 PolarHBondContact O-N 3.42Å; F492-A495 WeakPolarHBondContact O-CB 3.2Å; F492-A495 PolarHBondContact O-N 3.46Å; F492-L496 HydrophobicContact CD1-CD1 4.05Å; F492-L496 HydrophobicContact CE1-CD1 3.35Å; F492-L496 HydrophobicContact CE1-CG 4.32Å; F492-L496 HydrophobicContact CE2-CD1 4.43Å; F492-L496 HydrophobicContact CZ-CD1 3.59Å; F492-L496 HydrophobicContact CZ-CG 4.38Å; F492-L496 PolarHBondContact O-N 3.47Å
493G92.5Very high91.9Very high36 Ų3645.7 Ų45.737%0.37124%0.238SC..Hα-helixtrans-60.6-41.2176.400000112.5F489 S490 R497F489-G493 PolarHBondContact O-N 3.19Å; S490-G493 PolarHBondContact O-N 3.21Å; G493-R497 WeakPolarHBondContact O-CB 3.37Å; G493-R497 PolarHBondContact O-N 3.17Å
494R92.9Very high92.4Very high20 Ų2044.5 Ų44.58%0.07523%0.232CC..Hα-helixtrans-63.8-41174.2-70.9-170.3-52.7-100.210.2112.2S490 A491 F492 Y498S490-R494 WeakPolarHBondContact O-CG 3.43Å; S490-R494 PolarHBondContact O-N 2.98Å; S490-R494 PolarHBondContact OG-NH1 2.91Å; A491-R494 PolarHBondContact O-N 3.01Å; F492-R494 VanDerWaalsContact C-N 3.34Å; F492-R494 PolarHBondContact O-N 3.42Å; R494-Y498 HydrophobicContact CB-CD2 4.42Å; R494-Y498 PolarHBondContact O-N 2.95Å
495A94.6Very high93.2Very high1 Ų145.7 Ų45.71%0.00824%0.235CC..Hα-helixtrans-61.7-47.6179.500000111.5L461 V464 A491 F492 H499 T500L461-A495 HydrophobicContact CD1-CB 3.83Å; V464-A495 HydrophobicContact CB-CB 4.44Å; V464-A495 HydrophobicContact CG1-CB 3.88Å; A491-A495 WeakPolarHBondContact O-CB 3.49Å; A491-A495 PolarHBondContact O-N 2.88Å; F492-A495 WeakPolarHBondContact O-CB 3.2Å; F492-A495 PolarHBondContact O-N 3.46Å; A495-H499 CarbonylContact O-C 3.34Å; A495-H499 WeakPolarHBondContact O-CA 3.36Å; A495-H499 PolarHBondContact O-N 3.23Å; A495-T500 PolarHBondContact O-N 3.42Å; A495-T500 VanDerWaalsContact O-N 3.16Å
496L94Very high93.9Very high71 Ų7141.4 Ų41.437%0.37220%0.199SC..Hα-helixtrans-70.2-42.7178.4-72.5179.3000113.1L461 F492 T500L461-L496 HydrophobicContact CD1-CD2 3.82Å; L461-L496 HydrophobicContact CD1-CG 4Å; L461-L496 HydrophobicContact CD2-CD2 3.94Å; F492-L496 HydrophobicContact CD1-CD1 4.05Å; F492-L496 HydrophobicContact CE1-CD1 3.35Å; F492-L496 HydrophobicContact CE1-CG 4.32Å; F492-L496 HydrophobicContact CE2-CD1 4.43Å; F492-L496 HydrophobicContact CZ-CD1 3.59Å; F492-L496 HydrophobicContact CZ-CG 4.38Å; F492-L496 PolarHBondContact O-N 3.47Å; L496-T500 WeakPolarHBondContact CA-OG1 3.48Å; L496-T500 PolarHBondContact O-OG1 2.87Å
497R93.9Very high94.4Very high184 Ų18434.6 Ų34.669%0.69417%0.169SC*.Hα-helixtrans-71.8-41.5-175.3-176.3170.7179.5158.70.7113.2G493G493-R497 WeakPolarHBondContact O-CB 3.37Å; G493-R497 PolarHBondContact O-N 3.17Å
498Y93.8Very high94.8Very high55 Ų5535.3 Ų35.322%0.21617%0.172CC..Hα-helixtrans-110.2-27.4-170.5-60.2-67.9000113.7R27 C29 T30 R494R27-Y498 HydrophobicContact CB-CD1 4.48Å; R27-Y498 HydrophobicContact CB-CG 4.27Å; R27-Y498 WeakPolarHBondContact O-CE1 3.45Å; C29-Y498 CarbonylContact C-O 3.48Å; C29-Y498 VanDerWaalsContact CA-O 3.31Å; C29-Y498 WeakPolarHBondContact CA-O 3.18Å; T30-Y498 PolarHBondContact N-O 3.47Å; T30-Y498 PolarHBondContact OG1-O 3.4Å; R494-Y498 HydrophobicContact CB-CD2 4.42Å; R494-Y498 PolarHBondContact O-N 2.95Å
499H95.8Very high95Very high1 Ų136.9 Ų36.91%0.00518%0.18CC..  trans-117.82.5-166-59.5-49.6000115.3R27 T30 A495 G501 S502 L503 I564 G568R27-H499 VanDerWaalsContact CD-NE2 3.33Å; R27-H499 WeakPolarHBondContact CD-NE2 3.49Å; R27-H499 PolarHBondContact NH1-NE2 3.45Å; T30-H499 WeakPolarHBondContact OG1-CA 3.38Å; T30-H499 PolarHBondContact OG1-ND1 2.86Å; A495-H499 CarbonylContact O-C 3.34Å; A495-H499 WeakPolarHBondContact O-CA 3.36Å; A495-H499 PolarHBondContact O-N 3.23Å; H499-G501 PolarHBondContact O-N 3.37Å; H499-S502 PolarHBondContact O-N 2.9Å; H499-L503 HydrophobicContact CB-CD1 3.6Å; H499-L503 WeakPolarHBondContact O-CD1 3.46Å; H499-L503 PolarHBondContact O-N 3.25Å; H499-I564 HydrophobicContact CB-CG2 3.93Å; H499-G568 WeakPolarHBondContact CE1-CA 3.33Å; H499-G568 PolarHBondContact CE1-O 3.48Å; H499-G568 WeakPolarHBondContact NE2-CA 3.42Å
500T96.2Very high95.3Very high24 Ų2430.9 Ų30.915%0.14715%0.154CC..Hα-helixtrans-47.6-39.6179.1-67.70000113L38 F457 A495 L496 L503 A504L38-T500 HydrophobicContact CD2-CG2 4.36Å; F457-T500 HydrophobicContact CE2-CG2 3.97Å; F457-T500 HydrophobicContact CZ-CG2 3.92Å; A495-T500 PolarHBondContact O-N 3.42Å; A495-T500 VanDerWaalsContact O-N 3.16Å; L496-T500 WeakPolarHBondContact CA-OG1 3.48Å; L496-T500 PolarHBondContact O-OG1 2.87Å; T500-L503 PolarHBondContact O-N 2.97Å; T500-A504 VanDerWaalsContact O-CB 3.24Å; T500-A504 WeakPolarHBondContact O-CB 3.45Å; T500-A504 PolarHBondContact O-N 2.81Å
501G96Very high95.6Very high2 Ų228.6 Ų28.62%0.02114%0.138CC..Hα-helixtrans-62.1-45.1175.600000114D31 C34 H499 A504 F505D31-G501 VanDerWaalsContact O-CA 3.31Å; D31-G501 WeakPolarHBondContact O-CA 3.07Å; C34-G501 WeakPolarHBondContact CB-O 3.26Å; H499-G501 PolarHBondContact O-N 3.37Å; G501-A504 WeakPolarHBondContact O-CB 3.43Å; G501-A504 PolarHBondContact O-N 3Å; G501-F505 WeakPolarHBondContact O-CB 3.47Å; G501-F505 PolarHBondContact O-N 2.86Å
502S97.3Very high95.7Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-67.5-38.9179.1-56.50000112T30 D31 H499 F505 G506T30-S502 WeakPolarHBondContact CB-OG 3.42Å; T30-S502 PolarHBondContact OG1-OG 3.36Å; D31-S502 VanDerWaalsContact OD2-CA 3.31Å; D31-S502 WeakPolarHBondContact OD2-CA 3.47Å; D31-S502 VanDerWaalsContact OD2-CB 3.27Å; D31-S502 WeakPolarHBondContact OD2-CB 3.28Å; D31-S502 PolarHBondContact OD2-OG 2.82Å; H499-S502 PolarHBondContact O-N 2.9Å; S502-F505 PolarHBondContact O-N 2.82Å; S502-G506 PolarHBondContact O-N 3.06Å
503L97.4Very high95.7Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-63.7-44.8174-8069.9000110.3F457 A460 L461 V464 H499 T500 F505 A507F457-L503 HydrophobicContact CD2-CB 3.99Å; F457-L503 HydrophobicContact CE2-CB 3.73Å; F457-L503 HydrophobicContact CE2-CD2 4.48Å; A460-L503 HydrophobicContact CB-CB 4.31Å; A460-L503 HydrophobicContact CB-CG 4.26Å; L461-L503 HydrophobicContact CB-CD2 3.95Å; L461-L503 HydrophobicContact CD1-CD2 3.89Å; V464-L503 HydrophobicContact CB-CD1 4.47Å; V464-L503 HydrophobicContact CG1-CD1 4.49Å; V464-L503 HydrophobicContact CG2-CD1 3.92Å; V464-L503 HydrophobicContact CG2-CG 4.16Å; H499-L503 HydrophobicContact CB-CD1 3.6Å; H499-L503 WeakPolarHBondContact O-CD1 3.46Å; H499-L503 PolarHBondContact O-N 3.25Å; T500-L503 PolarHBondContact O-N 2.97Å; L503-F505 VanDerWaalsContact C-N 3.35Å; L503-F505 PolarHBondContact O-N 2.98Å; L503-A507 WeakPolarHBondContact O-CB 3.24Å; L503-A507 PolarHBondContact O-N 3.25Å
504A97.3Very high95.8Very high1 Ų129.2 Ų29.21%0.00813%0.134CC..Hα-helixtrans-61.4-42.5177.400000112L38 W453 F457 T500 G501 A507 L508L38-A504 HydrophobicContact CB-CB 3.98Å; L38-A504 HydrophobicContact CD2-CB 3.68Å; L38-A504 HydrophobicContact CG-CB 4.31Å; W453-A504 PolarHBondContact NE1-O 3.34Å; F457-A504 HydrophobicContact CD2-CB 4.32Å; F457-A504 HydrophobicContact CE2-CB 4.43Å; T500-A504 VanDerWaalsContact O-CB 3.24Å; T500-A504 WeakPolarHBondContact O-CB 3.45Å; T500-A504 PolarHBondContact O-N 2.81Å; G501-A504 WeakPolarHBondContact O-CB 3.43Å; G501-A504 PolarHBondContact O-N 3Å; A504-A507 PolarHBondContact O-N 3.33Å; A504-L508 VanDerWaalsContact O-CB 3.26Å; A504-L508 WeakPolarHBondContact O-CB 3.49Å; A504-L508 PolarHBondContact O-N 2.69Å
505F97.6Very high95.8Very high54 Ų5429.4 Ų29.424%0.23714%0.136CC..Hα-helixtrans-66.8-48.3179.9-175-116.3000112.3C34 G501 S502 L503 A507 L508 I509 F571C34-F505 HydrophobicContact CB-CB 4.05Å; C34-F505 VanDerWaalsContact SG-CD2 3.54Å; G501-F505 WeakPolarHBondContact O-CB 3.47Å; G501-F505 PolarHBondContact O-N 2.86Å; S502-F505 PolarHBondContact O-N 2.82Å; L503-F505 VanDerWaalsContact C-N 3.35Å; L503-F505 PolarHBondContact O-N 2.98Å; F505-A507 VanDerWaalsContact C-N 3.31Å; F505-A507 PolarHBondContact O-N 3.4Å; F505-L508 WeakPolarHBondContact O-CB 3.34Å; F505-L508 PolarHBondContact O-N 2.93Å; F505-I509 HydrophobicContact CD1-CD1 4.13Å; F505-I509 HydrophobicContact CE1-CD1 3.7Å; F505-I509 HydrophobicContact CE2-CD1 4.36Å; F505-I509 HydrophobicContact CZ-CD1 3.84Å; F505-I509 HydrophobicContact CZ-CG1 4.45Å; F505-I509 WeakPolarHBondContact O-CG1 3.46Å; F505-I509 PolarHBondContact O-N 3.2Å; F505-I509 VanDerWaalsContact O-N 3.12Å; F505-F571 HydrophobicContact CD1-CB 3.85Å; F505-F571 AromaticContact CD1-CD1 3.41Å; F505-F571 HydrophobicContact CD1-CD1 3.41Å; F505-F571 VanDerWaalsContact CD1-CD1 3.41Å; F505-F571 HydrophobicContact CD1-CE1 4.16Å; F505-F571 AromaticContact CD1-CG 3.76Å; F505-F571 HydrophobicContact CD1-CG 3.76Å; F505-F571 AromaticContact CE1-CD1 3.63Å; F505-F571 HydrophobicContact CE1-CD1 3.63Å; F505-F571 HydrophobicContact CE1-CE1 4.2Å; F505-F571 HydrophobicContact CE1-CG 4.41Å
506G96.5Very high95.6Very high0 Ų032.1 Ų32.10%015%0.15CC..Hα-helixtrans-61.5-39.4175.400000112.5S502 L510 N557 Y561S502-G506 PolarHBondContact O-N 3.06Å; G506-L510 PolarHBondContact O-N 2.91Å; G506-N557 PolarHBondContact O-ND2 3.37Å; G506-Y561 WeakPolarHBondContact CA-OH 3.49Å
507A97.4Very high95.5Very high1 Ų133.2 Ų33.21%0.00815%0.15CC..Hα-helixtrans-66.2-37.1174.700000112.9N456 F457 L503 A504 F505 L510 A511 Y561N456-A507 HydrophobicContact CB-CB 3.79Å; F457-A507 HydrophobicContact CB-CB 4.07Å; L503-A507 WeakPolarHBondContact O-CB 3.24Å; L503-A507 PolarHBondContact O-N 3.25Å; A504-A507 PolarHBondContact O-N 3.33Å; F505-A507 VanDerWaalsContact C-N 3.31Å; F505-A507 PolarHBondContact O-N 3.4Å; A507-L510 PolarHBondContact O-N 2.76Å; A507-A511 VanDerWaalsContact O-CB 3.32Å; A507-A511 WeakPolarHBondContact O-CB 3.45Å; A507-A511 PolarHBondContact O-N 3.23Å; A507-Y561 PolarHBondContact N-OH 2.82Å
508L97.2Very high95.3Very high28 Ų2828.1 Ų28.115%0.14714%0.138CC..Hα-helixtrans-63.2-48.6177.9177.460.4000111.3F37 F449 W453 A504 F505 L510 A511 I512F37-L508 HydrophobicContact CE1-CD2 4.39Å; F449-L508 HydrophobicContact CE2-CD1 4.04Å; F449-L508 HydrophobicContact CZ-CD1 3.5Å; W453-L508 HydrophobicContact CD2-CD1 3.97Å; W453-L508 HydrophobicContact CE3-CD1 4.21Å; W453-L508 HydrophobicContact CH2-CD1 4.39Å; W453-L508 HydrophobicContact CZ2-CB 4.18Å; W453-L508 HydrophobicContact CZ2-CD1 4.09Å; W453-L508 HydrophobicContact CZ2-CD2 4.31Å; W453-L508 HydrophobicContact CZ2-CG 4.43Å; W453-L508 HydrophobicContact CZ3-CD1 4.41Å; A504-L508 VanDerWaalsContact O-CB 3.26Å; A504-L508 WeakPolarHBondContact O-CB 3.49Å; A504-L508 PolarHBondContact O-N 2.69Å; F505-L508 WeakPolarHBondContact O-CB 3.34Å; F505-L508 PolarHBondContact O-N 2.93Å; L508-L510 VanDerWaalsContact C-N 3.27Å; L508-L510 PolarHBondContact O-N 2.85Å; L508-A511 PolarHBondContact O-N 3.31Å; L508-I512 HydrophobicContact CD1-CD1 4.07Å; L508-I512 HydrophobicContact CD1-CG1 4.3Å; L508-I512 HydrophobicContact CG-CD1 4.06Å; L508-I512 WeakPolarHBondContact O-CG1 3.48Å; L508-I512 PolarHBondContact O-N 3.22Å
509I96.3Very high95Very high47 Ų4729.1 Ų29.124%0.24115%0.147CC..Hα-helixtrans-57-46178.1-63.6168.4000110.1F505 I512 V513 I553 F571F505-I509 HydrophobicContact CD1-CD1 4.13Å; F505-I509 HydrophobicContact CE1-CD1 3.7Å; F505-I509 HydrophobicContact CE2-CD1 4.36Å; F505-I509 HydrophobicContact CZ-CD1 3.84Å; F505-I509 HydrophobicContact CZ-CG1 4.45Å; F505-I509 WeakPolarHBondContact O-CG1 3.46Å; F505-I509 PolarHBondContact O-N 3.2Å; F505-I509 VanDerWaalsContact O-N 3.12Å; I509-I512 PolarHBondContact O-N 3.02Å; I509-V513 WeakPolarHBondContact O-CG2 3.29Å; I509-V513 PolarHBondContact O-N 2.82Å; I509-I553 HydrophobicContact CG2-CD1 4.11Å; I509-I553 HydrophobicContact CG2-CG1 4.42Å; I509-I553 HydrophobicContact CG2-CG2 3.96Å; I509-F571 HydrophobicContact CD1-CE1 3.99Å
510L96Very high94.6Very high12 Ų1229.9 Ų29.96%0.06315%0.151CC..Hα-helixtrans-66.8-39.4179.8-175.755.6000112.3N456 G506 A507 L508 V513 Q514 E550 I553 K554N456-L510 HydrophobicContact CB-CD2 4.45Å; N456-L510 WeakPolarHBondContact OD1-CD2 3.41Å; G506-L510 PolarHBondContact O-N 2.91Å; A507-L510 PolarHBondContact O-N 2.76Å; L508-L510 VanDerWaalsContact C-N 3.27Å; L508-L510 PolarHBondContact O-N 2.85Å; L510-V513 PolarHBondContact O-N 2.85Å; L510-Q514 HydrophobicContact CD1-CG 4.43Å; L510-Q514 WeakPolarHBondContact O-CG 3.46Å; L510-Q514 PolarHBondContact O-N 3.32Å; L510-E550 HydrophobicContact CD1-CG 4Å; L510-I553 HydrophobicContact CB-CG2 4.11Å; L510-I553 HydrophobicContact CD1-CB 4.45Å; L510-I553 HydrophobicContact CD1-CG2 4.05Å; L510-K554 HydrophobicContact CD1-CD 4.49Å; L510-K554 HydrophobicContact CD1-CG 3.78Å; L510-K554 HydrophobicContact CD2-CG 3.83Å
511A96.4Very high94.1Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-64-41.3178.300000112.5F452 W453 A507 L508 V513 Q514 I515F452-A511 HydrophobicContact CB-CB 3.98Å; W453-A511 HydrophobicContact CB-CB 3.94Å; W453-A511 HydrophobicContact CG-CB 4.46Å; A507-A511 VanDerWaalsContact O-CB 3.32Å; A507-A511 WeakPolarHBondContact O-CB 3.45Å; A507-A511 PolarHBondContact O-N 3.23Å; L508-A511 PolarHBondContact O-N 3.31Å; A511-V513 PolarHBondContact O-N 2.92Å; A511-Q514 PolarHBondContact O-N 3.5Å; A511-I515 PolarHBondContact O-N 2.97Å
512I95.4Very high93.4Very high78 Ų7838.3 Ų38.340%0.418%0.184SC..Hα-helixtrans-59.1-49175.9-68.6166.1000110.4F449 L508 I509 Q514 I515 I516F449-I512 HydrophobicContact CE2-CG1 4.14Å; L508-I512 HydrophobicContact CD1-CD1 4.07Å; L508-I512 HydrophobicContact CD1-CG1 4.3Å; L508-I512 HydrophobicContact CG-CD1 4.06Å; L508-I512 WeakPolarHBondContact O-CG1 3.48Å; L508-I512 PolarHBondContact O-N 3.22Å; I509-I512 PolarHBondContact O-N 3.02Å; I512-Q514 VanDerWaalsContact C-N 3.31Å; I512-Q514 PolarHBondContact O-N 3.16Å; I512-I515 PolarHBondContact O-N 3.43Å; I512-I516 HydrophobicContact CG2-CD1 3.95Å; I512-I516 WeakPolarHBondContact O-CG1 3.4Å; I512-I516 PolarHBondContact O-N 2.92Å
513V95.2Very high92.7Very high11 Ų1141.6 Ų41.67%0.06720%0.201CC..Hα-helixtrans-61.5-40.9178.7174.40000111.3I509 L510 A511 I516 R517 F546 L549 E550I509-V513 WeakPolarHBondContact O-CG2 3.29Å; I509-V513 PolarHBondContact O-N 2.82Å; L510-V513 PolarHBondContact O-N 2.85Å; A511-V513 PolarHBondContact O-N 2.92Å; V513-I516 PolarHBondContact O-N 3.48Å; V513-R517 PolarHBondContact O-N 3.42Å; V513-F546 HydrophobicContact CG1-CD1 4.28Å; V513-L549 HydrophobicContact CG1-CB 4.42Å; V513-L549 HydrophobicContact CG1-CD2 4.24Å; V513-L549 HydrophobicContact CG1-CG 4.16Å; V513-L549 HydrophobicContact CG2-CD2 3.85Å; V513-L549 HydrophobicContact CG2-CG 4.12Å; V513-E550 HydrophobicContact CG1-CB 3.86Å; V513-E550 HydrophobicContact CG1-CG 4.46Å
514Q94.5Very high92Very high24 Ų2443.3 Ų43.311%0.11221%0.21CC..Hα-helixtrans-65.3-40.7178.6-76.3179.7-31.500112.8F452 N456 L510 A511 I512 R517 V518 E550F452-Q514 HydrophobicContact CD1-CB 4.02Å; F452-Q514 VanDerWaalsContact CD1-OE1 3.3Å; F452-Q514 HydrophobicContact CE1-CB 4.29Å; F452-Q514 HydrophobicContact CG-CB 4.34Å; N456-Q514 PolarHBondContact ND2-OE1 3.31Å; L510-Q514 HydrophobicContact CD1-CG 4.43Å; L510-Q514 WeakPolarHBondContact O-CG 3.46Å; L510-Q514 PolarHBondContact O-N 3.32Å; A511-Q514 PolarHBondContact O-N 3.5Å; I512-Q514 VanDerWaalsContact C-N 3.31Å; I512-Q514 PolarHBondContact O-N 3.16Å; Q514-R517 WeakPolarHBondContact O-CB 3.35Å; Q514-R517 PolarHBondContact O-N 2.92Å; Q514-V518 WeakPolarHBondContact O-CG2 3.48Å; Q514-V518 PolarHBondContact O-N 3.3Å; Q514-E550 HydrophobicContact CG-CG 4.25Å
515I92.6Very high91.1Very high23 Ų2348.6 Ų48.612%0.11823%0.234CC..Hα-helixtrans-66.5-43.5176.7-73.9175.7000111.6F449 F452 A511 I512 R517 V518 I519F449-I515 HydrophobicContact CB-CD1 3.32Å; F449-I515 HydrophobicContact CD2-CD1 3.33Å; F449-I515 HydrophobicContact CE2-CD1 4.49Å; F449-I515 HydrophobicContact CG-CD1 3.75Å; F452-I515 HydrophobicContact CD2-CD1 4.37Å; F452-I515 HydrophobicContact CD2-CG1 3.69Å; F452-I515 HydrophobicContact CE2-CG1 4.25Å; F452-I515 HydrophobicContact CG-CG1 4.47Å; A511-I515 PolarHBondContact O-N 2.97Å; I512-I515 PolarHBondContact O-N 3.43Å; I515-R517 PolarHBondContact O-N 2.85Å; I515-V518 PolarHBondContact O-N 2.99Å; I515-V518 VanDerWaalsContact O-N 3.08Å; I515-I519 HydrophobicContact CG2-CD1 3.56Å; I515-I519 HydrophobicContact CG2-CG1 4.08Å; I515-I519 WeakPolarHBondContact O-CG1 3.27Å; I515-I519 PolarHBondContact O-N 3.07Å
516I91.9Very high90Very high59 Ų5952 Ų5230%0.30325%0.246SC..Hα-helixtrans-57.8-42.3176.7-64.6164.7000109.5I512 V513 V518 I519 L520 F546I512-I516 HydrophobicContact CG2-CD1 3.95Å; I512-I516 WeakPolarHBondContact O-CG1 3.4Å; I512-I516 PolarHBondContact O-N 2.92Å; V513-I516 PolarHBondContact O-N 3.48Å; I516-V518 PolarHBondContact O-N 3.38Å; I516-I519 PolarHBondContact O-N 2.97Å; I516-L520 HydrophobicContact CG2-CD1 4.03Å; I516-L520 HydrophobicContact CG2-CG 4.3Å; I516-L520 VanDerWaalsContact O-CG 3.27Å; I516-L520 WeakPolarHBondContact O-CG 3.45Å; I516-L520 PolarHBondContact O-N 3.23Å; I516-F546 HydrophobicContact CB-CD1 4.02Å; I516-F546 HydrophobicContact CB-CE1 3.82Å; I516-F546 HydrophobicContact CB-CZ 4.39Å; I516-F546 HydrophobicContact CD1-CE1 3.68Å; I516-F546 HydrophobicContact CD1-CZ 4.18Å; I516-F546 HydrophobicContact CG1-CE1 4.35Å; I516-F546 HydrophobicContact CG2-CD1 3.68Å; I516-F546 HydrophobicContact CG2-CD2 4.15Å; I516-F546 HydrophobicContact CG2-CE1 3.4Å; I516-F546 HydrophobicContact CG2-CE2 3.88Å; I516-F546 HydrophobicContact CG2-CG 4.07Å; I516-F546 HydrophobicContact CG2-CZ 3.51Å
517R91.4Very high88.9Confident94 Ų9455.3 Ų55.336%0.35526%0.263SS..Hα-helixtrans-61-43.8175.1-174.5-179170.9-156.1-9.4112.7V513 Q514 I515 L520 E521 E550V513-R517 PolarHBondContact O-N 3.42Å; Q514-R517 WeakPolarHBondContact O-CB 3.35Å; Q514-R517 PolarHBondContact O-N 2.92Å; I515-R517 PolarHBondContact O-N 2.85Å; R517-L520 PolarHBondContact O-N 3.37Å; R517-E521 PolarHBondContact O-N 3.29Å; R517-E550 WeakPolarHBondContact CD-OE2 3.24Å; R517-E550 IonicContact CZ-OE2 3.42Å; R517-E550 IonicContact NE-OE2 2.67Å; R517-E550 IonicContact NH1-OE1 3.06Å; R517-E550 IonicContact NH1-OE2 2.81Å; R517-E550 PolarHBondContact NH1-OE2 2.83Å
518V88.6Confident87.5Confident76 Ų7661.9 Ų61.946%0.46129%0.291SS..Hα-helixtrans-63.4-41.9176.4171.50000111.2F452 Q514 I515 I516 E521 Y522F452-V518 HydrophobicContact CE2-CG2 4.08Å; F452-V518 HydrophobicContact CZ-CG2 3.81Å; Q514-V518 WeakPolarHBondContact O-CG2 3.48Å; Q514-V518 PolarHBondContact O-N 3.3Å; I515-V518 PolarHBondContact O-N 2.99Å; I515-V518 VanDerWaalsContact O-N 3.08Å; I516-V518 PolarHBondContact O-N 3.38Å; V518-E521 PolarHBondContact O-N 3.14Å; V518-Y522 WeakPolarHBondContact O-CB 3.3Å; V518-Y522 PolarHBondContact O-N 2.71Å
519I87.1Confident85.8Confident77 Ų7765.1 Ų65.140%0.39532%0.323SS..Hα-helixtrans-63.6-45.1176.7-68.4170.6000110.5I515 I516 E521 Y522 L523I515-I519 HydrophobicContact CG2-CD1 3.56Å; I515-I519 HydrophobicContact CG2-CG1 4.08Å; I515-I519 WeakPolarHBondContact O-CG1 3.27Å; I515-I519 PolarHBondContact O-N 3.07Å; I516-I519 PolarHBondContact O-N 2.97Å; I519-E521 VanDerWaalsContact C-N 3.29Å; I519-E521 PolarHBondContact O-N 2.99Å; I519-Y522 PolarHBondContact O-N 3.09Å; I519-L523 HydrophobicContact CG2-CD1 3.87Å; I519-L523 HydrophobicContact CG2-CG 4.16Å; I519-L523 WeakPolarHBondContact O-CB 3.46Å; I519-L523 VanDerWaalsContact O-CG 3.29Å; I519-L523 WeakPolarHBondContact O-CG 3.4Å; I519-L523 PolarHBondContact O-N 3.17Å
520L87.6Confident84.4Confident17 Ų1765 Ų659%0.08933%0.329CS..Hα-helixtrans-60.7-38.9176.3-70.4171.1000111.6I516 R517 D524 M539 L542 K543 F546I516-L520 HydrophobicContact CG2-CD1 4.03Å; I516-L520 HydrophobicContact CG2-CG 4.3Å; I516-L520 VanDerWaalsContact O-CG 3.27Å; I516-L520 WeakPolarHBondContact O-CG 3.45Å; I516-L520 PolarHBondContact O-N 3.23Å; R517-L520 PolarHBondContact O-N 3.37Å; L520-D524 WeakPolarHBondContact O-CB 3.3Å; L520-D524 PolarHBondContact O-N 3.5Å; L520-M539 HydrophobicContact CB-SD 4.13Å; L520-M539 HydrophobicContact CD2-CE 4.4Å; L520-M539 HydrophobicContact CD2-SD 3.74Å; L520-L542 HydrophobicContact CD1-CB 4.02Å; L520-L542 HydrophobicContact CD2-CB 4.15Å; L520-L542 HydrophobicContact CD2-CD1 4.2Å; L520-K543 HydrophobicContact CB-CG 4.26Å; L520-K543 WeakPolarHBondContact O-CE 3.3Å; L520-F546 HydrophobicContact CD1-CB 4.22Å; L520-F546 HydrophobicContact CD1-CD2 3.6Å; L520-F546 HydrophobicContact CD1-CE2 4.25Å; L520-F546 HydrophobicContact CD1-CG 4.02Å
521E86.1Confident83.2Confident79 Ų7973 Ų7337%0.36937%0.365SS..Hα-helixtrans-65.6-43.5175.2-164.960.2-138.100111.8R517 V518 I519 D524 Q525 K543R517-E521 PolarHBondContact O-N 3.29Å; V518-E521 PolarHBondContact O-N 3.14Å; I519-E521 VanDerWaalsContact C-N 3.29Å; I519-E521 PolarHBondContact O-N 2.99Å; E521-D524 PolarHBondContact O-N 3.45Å; E521-Q525 WeakPolarHBondContact O-CG 3.5Å; E521-Q525 PolarHBondContact O-N 3.22Å; E521-Q525 VanDerWaalsContact O-N 3.14Å; E521-K543 IonicContact OE1-NZ 2.6Å; E521-K543 PolarHBondContact OE1-NZ 3Å; E521-K543 VanDerWaalsContact OE1-NZ 3.11Å; E521-K543 WeakPolarHBondContact OE2-CE 3.46Å; E521-K543 IonicContact OE2-NZ 3.55Å; E521-K543 PolarHBondContact OE2-NZ 3.46Å
522Y82.6Confident82.5Confident123 Ų12377.5 Ų77.548%0.48239%0.39SS..Hα-helixtrans-62.8-45.6175.6175.2-102.8000112.4V518 I519 D524 Q525 R526V518-Y522 WeakPolarHBondContact O-CB 3.3Å; V518-Y522 PolarHBondContact O-N 2.71Å; I519-Y522 PolarHBondContact O-N 3.09Å; Y522-D524 PolarHBondContact O-N 3.11Å; Y522-Q525 PolarHBondContact O-N 2.84Å; Y522-R526 HydrophobicContact CE1-CG 4.08Å; Y522-R526 HydrophobicContact CE2-CG 4.29Å; Y522-R526 WeakPolarHBondContact O-CG 3.38Å; Y522-R526 PolarHBondContact O-N 3.47Å; Y522-R526 VanDerWaalsContact O-N 3.09Å; Y522-R526 PolarHBondContact OH-NE 3.08Å; Y522-R526 PolarHBondContact OH-NH2 3.21Å
523L82.4Confident81.9Confident70 Ų7082.5 Ų82.537%0.36641%0.409SS..Hα-helixtrans-63.2-41.7178.3-71.9176.3000111.5I519 Q525 R526 L527 M539I519-L523 HydrophobicContact CG2-CD1 3.87Å; I519-L523 HydrophobicContact CG2-CG 4.16Å; I519-L523 WeakPolarHBondContact O-CB 3.46Å; I519-L523 VanDerWaalsContact O-CG 3.29Å; I519-L523 WeakPolarHBondContact O-CG 3.4Å; I519-L523 PolarHBondContact O-N 3.17Å; L523-Q525 VanDerWaalsContact C-N 3.33Å; L523-Q525 PolarHBondContact O-N 3.05Å; L523-R526 PolarHBondContact O-N 2.93Å; L523-R526 VanDerWaalsContact O-N 3.17Å; L523-L527 WeakPolarHBondContact O-CB 3.47Å; L523-L527 VanDerWaalsContact O-CG 3.24Å; L523-L527 WeakPolarHBondContact O-CG 3.33Å; L523-L527 PolarHBondContact O-N 2.78Å; L523-M539 HydrophobicContact CB-CE 3.85Å
524D81.9Confident81.3Confident35 Ų3589 Ų8919%0.18744%0.436CS..Hα-helixtrans-59.7-44175.5-175.861.6000111.9L520 E521 Y522 R526 L527 K528 M539 K543L520-D524 WeakPolarHBondContact O-CB 3.3Å; L520-D524 PolarHBondContact O-N 3.5Å; E521-D524 PolarHBondContact O-N 3.45Å; Y522-D524 PolarHBondContact O-N 3.11Å; D524-R526 VanDerWaalsContact C-N 3.29Å; D524-R526 PolarHBondContact O-N 3.41Å; D524-L527 PolarHBondContact O-N 3.11Å; D524-K528 WeakPolarHBondContact O-CG 3.5Å; D524-K528 PolarHBondContact O-N 3.09Å; D524-K528 VanDerWaalsContact O-N 3.11Å; D524-M539 HydrophobicContact CB-CG 3.76Å; D524-M539 HydrophobicContact CB-SD 4.39Å; D524-K543 IonicContact OD2-NZ 2.66Å; D524-K543 PolarHBondContact OD2-NZ 3.13Å
525Q78.3Confident80.7Confident112 Ų11289.6 Ų89.652%0.52345%0.445SS..Hα-helixtrans-60.8-38.6175.5-70.4-179.16.600112.5E521 Y522 L523E521-Q525 WeakPolarHBondContact O-CG 3.5Å; E521-Q525 PolarHBondContact O-N 3.22Å; E521-Q525 VanDerWaalsContact O-N 3.14Å; Y522-Q525 PolarHBondContact O-N 2.84Å; L523-Q525 VanDerWaalsContact C-N 3.33Å; L523-Q525 PolarHBondContact O-N 3.05Å
526R74.8Confident80.2Confident125 Ų12593 Ų9347%0.47246%0.459SS..Hα-helixtrans-71.2-35.4176.7-70.1-68.7-171.2174.72112.7Y522 L523 D524 K528Y522-R526 HydrophobicContact CE1-CG 4.08Å; Y522-R526 HydrophobicContact CE2-CG 4.29Å; Y522-R526 WeakPolarHBondContact O-CG 3.38Å; Y522-R526 PolarHBondContact O-N 3.47Å; Y522-R526 VanDerWaalsContact O-N 3.09Å; Y522-R526 PolarHBondContact OH-NE 3.08Å; Y522-R526 PolarHBondContact OH-NH2 3.21Å; L523-R526 PolarHBondContact O-N 2.93Å; L523-R526 VanDerWaalsContact O-N 3.17Å; D524-R526 VanDerWaalsContact C-N 3.29Å; D524-R526 PolarHBondContact O-N 3.41Å; R526-K528 VanDerWaalsContact C-N 3.31Å; R526-K528 PolarHBondContact O-N 2.94Å
527L72.8Confident79.9Confident71 Ų7194.3 Ų94.337%0.37247%0.473SS..Hα-helixtrans-84.1-0.7-178.6-67.8167.8000113.4L523 D524 A529 A530 M539L523-L527 WeakPolarHBondContact O-CB 3.47Å; L523-L527 VanDerWaalsContact O-CG 3.24Å; L523-L527 WeakPolarHBondContact O-CG 3.33Å; L523-L527 PolarHBondContact O-N 2.78Å; D524-L527 PolarHBondContact O-N 3.11Å; L527-A529 PolarHBondContact O-N 3.22Å; L527-A530 HydrophobicContact CD2-CB 4.4Å; L527-A530 PolarHBondContact O-N 3.37Å; L527-M539 HydrophobicContact CD1-CE 3.96Å
528K67.8Low79.7Confident138 Ų13894 Ų9460%0.648%0.477SS*.THydrogen-bonded Turntrans-58.5-29.3173.7-80.1176.7-173.4-178.40113.2D524 R526 A530D524-K528 WeakPolarHBondContact O-CG 3.5Å; D524-K528 PolarHBondContact O-N 3.09Å; D524-K528 VanDerWaalsContact O-N 3.11Å; R526-K528 VanDerWaalsContact C-N 3.31Å; R526-K528 PolarHBondContact O-N 2.94Å; K528-A530 VanDerWaalsContact C-N 3.34Å
529A63.1Low79.6Confident97 Ų9791.2 Ų91.280%0.80246%0.459SS*.THydrogen-bonded Turntrans-78.8-14.3175.900000113.7L527L527-A529 PolarHBondContact O-N 3.22Å
530A65.2Low79.5Confident44 Ų4491.9 Ų91.936%0.36447%0.467SS..  trans-90.5129.9177.600000110.6L527 K528 N532 K536L527-A530 HydrophobicContact CD2-CB 4.4Å; L527-A530 PolarHBondContact O-N 3.37Å; K528-A530 VanDerWaalsContact C-N 3.34Å; A530-N532 VanDerWaalsContact C-N 3.3Å; A530-N532 PolarHBondContact O-N 3.36Å; A530-K536 WeakPolarHBondContact O-CE 3.35Å; A530-K536 PolarHBondContact O-NZ 3.09Å
531E70.9Confident79.6Confident179 Ų17994.4 Ų94.484%0.83649%0.485SS*.  trans-847.5-176.9-65.3-155.1148.600114.8K533E531-K533 PolarHBondContact O-N 2.93Å; E531-K533 VanDerWaalsContact O-N 3.08Å
532N81.8Confident79.7Confident96 Ų9693.4 Ų93.451%0.51348%0.483SS..  trans-73.3107.8-175.8-167.3-21.2000112.2A530 F534 A535 K536A530-N532 VanDerWaalsContact C-N 3.3Å; A530-N532 PolarHBondContact O-N 3.36Å; N532-F534 VanDerWaalsContact C-N 3.32Å; N532-F534 PolarHBondContact O-N 3.26Å; N532-F534 PolarHBondContact OD1-N 3.21Å; N532-F534 VanDerWaalsContact OD1-N 3.09Å; N532-A535 HydrophobicContact CB-CB 4.17Å; N532-A535 PolarHBondContact O-N 3.48Å; N532-K536 PolarHBondContact O-N 3.08Å
533K82.9Confident80Confident183 Ų18389.4 Ų89.480%0.79647%0.468SS*.Hα-helixtrans-60.1-36.1-179.7-64.1-179.5-177.9177.60113.1E531 K536 C537E531-K533 PolarHBondContact O-N 2.93Å; E531-K533 VanDerWaalsContact O-N 3.08Å; K533-K536 PolarHBondContact O-N 2.91Å; K533-C537 PolarHBondContact O-N 2.63Å; K533-C537 VanDerWaalsContact O-N 3.08Å
534F83.7Confident80.4Confident148 Ų14889.7 Ų89.765%0.64947%0.474SS*.Hα-helixtrans-66.6-44.5179.2177.7-100000111.5N532 K536 C537 L538N532-F534 VanDerWaalsContact C-N 3.32Å; N532-F534 PolarHBondContact O-N 3.26Å; N532-F534 PolarHBondContact OD1-N 3.21Å; N532-F534 VanDerWaalsContact OD1-N 3.09Å; F534-K536 VanDerWaalsContact C-N 3.31Å; F534-K536 PolarHBondContact O-N 3.16Å; F534-C537 PolarHBondContact O-N 3.35Å; F534-L538 HydrophobicContact CE1-CD2 4.44Å; F534-L538 PolarHBondContact O-N 3.33Å
535A81.5Confident80.9Confident36 Ų3691.3 Ų91.330%0.29849%0.488SS..Hα-helixtrans-61.3-39.4177.400000111.9N532 M539N532-A535 HydrophobicContact CB-CB 4.17Å; N532-A535 PolarHBondContact O-N 3.48Å; A535-M539 VanDerWaalsContact O-CB 3.29Å; A535-M539 WeakPolarHBondContact O-CB 3.49Å; A535-M539 PolarHBondContact O-N 3.26Å
536K82.9Confident81.5Confident95 Ų9588.1 Ų88.141%0.41347%0.472SS..Hα-helixtrans-64.2-42.1175.1-69.7-179.4-179.7177.60112.4A530 N532 K533 F534 T540A530-K536 WeakPolarHBondContact O-CE 3.35Å; A530-K536 PolarHBondContact O-NZ 3.09Å; N532-K536 PolarHBondContact O-N 3.08Å; K533-K536 PolarHBondContact O-N 2.91Å; F534-K536 VanDerWaalsContact C-N 3.31Å; F534-K536 PolarHBondContact O-N 3.16Å; K536-T540 WeakPolarHBondContact O-CB 3.4Å; K536-T540 PolarHBondContact O-N 3.42Å; K536-T540 PolarHBondContact O-OG1 3.16Å
537C85.1Confident82.3Confident86 Ų8687.9 Ų87.958%0.58147%0.472SS*.Hα-helixtrans-63.3-49.7175.8-175.80000111.6K533 F534 M539 T540 C541K533-C537 PolarHBondContact O-N 2.63Å; K533-C537 VanDerWaalsContact O-N 3.08Å; F534-C537 PolarHBondContact O-N 3.35Å; C537-M539 VanDerWaalsContact C-N 3.34Å; C537-M539 PolarHBondContact O-N 3.31Å; C537-T540 PolarHBondContact O-N 2.96Å; C537-C541 PolarHBondContact O-N 2.89Å
538L86.6Confident83.2Confident86 Ų8687.5 Ų87.545%0.4547%0.474SS..Hα-helixtrans-59.6-43.8178.3179.461.9000111.8F534 T540 C541 L542F534-L538 HydrophobicContact CE1-CD2 4.44Å; F534-L538 PolarHBondContact O-N 3.33Å; L538-T540 VanDerWaalsContact C-N 3.34Å; L538-T540 PolarHBondContact O-N 3.5Å; L538-C541 PolarHBondContact O-N 3.32Å; L538-L542 HydrophobicContact CD1-CD1 4.14Å; L538-L542 HydrophobicContact CD1-CG 4.22Å; L538-L542 HydrophobicContact CG-CD1 4Å; L538-L542 HydrophobicContact CG-CG 4.49Å; L538-L542 WeakPolarHBondContact O-CG 3.23Å; L538-L542 PolarHBondContact O-N 3.49Å
539M85.9Confident84.4Confident18 Ų1884.2 Ų84.29%0.08946%0.462CS..Hα-helixtrans-62.1-42.8177.8-170.458.268.300111.7L520 L523 D524 L527 A535 C537 C541 L542 K543L520-M539 HydrophobicContact CB-SD 4.13Å; L520-M539 HydrophobicContact CD2-CE 4.4Å; L520-M539 HydrophobicContact CD2-SD 3.74Å; L523-M539 HydrophobicContact CB-CE 3.85Å; D524-M539 HydrophobicContact CB-CG 3.76Å; D524-M539 HydrophobicContact CB-SD 4.39Å; L527-M539 HydrophobicContact CD1-CE 3.96Å; A535-M539 VanDerWaalsContact O-CB 3.29Å; A535-M539 WeakPolarHBondContact O-CB 3.49Å; A535-M539 PolarHBondContact O-N 3.26Å; C537-M539 VanDerWaalsContact C-N 3.34Å; C537-M539 PolarHBondContact O-N 3.31Å; M539-C541 PolarHBondContact O-N 3.37Å; M539-L542 PolarHBondContact O-N 2.95Å; M539-K543 WeakPolarHBondContact O-CB 3.45Å; M539-K543 VanDerWaalsContact O-CG 3.3Å; M539-K543 WeakPolarHBondContact O-CG 3.06Å; M539-K543 PolarHBondContact O-N 3Å
540T85.3Confident85.9Confident92 Ų9280.1 Ų80.156%0.56443%0.427SS*.Hα-helixtrans-62.6-42.8176.6-55.30000111.4K536 C537 L538 C544K536-T540 WeakPolarHBondContact O-CB 3.4Å; K536-T540 PolarHBondContact O-N 3.42Å; K536-T540 PolarHBondContact O-OG1 3.16Å; C537-T540 PolarHBondContact O-N 2.96Å; L538-T540 VanDerWaalsContact C-N 3.34Å; L538-T540 PolarHBondContact O-N 3.5Å; T540-C544 PolarHBondContact O-N 3.06Å; T540-C544 VanDerWaalsContact O-N 3.12Å
541C89.3Confident87.1Confident69 Ų6983.2 Ų83.247%0.46643%0.432SS..Hα-helixtrans-62.5-49.7176.2-176.30000111.8C537 L538 M539 K543 C544 C545C537-C541 PolarHBondContact O-N 2.89Å; L538-C541 PolarHBondContact O-N 3.32Å; M539-C541 PolarHBondContact O-N 3.37Å; C541-K543 PolarHBondContact O-N 3.36Å; C541-C544 WeakPolarHBondContact O-CB 3.31Å; C541-C544 PolarHBondContact O-N 2.93Å; C541-C545 PolarHBondContact O-N 3.09Å; C541-C545 PolarHBondContact O-SG 3.09Å; C541-C545 VanDerWaalsContact O-SG 3.32Å
542L89.8Confident88.1Confident59 Ų5979.3 Ų79.331%0.30941%0.413SS..Hα-helixtrans-61.6-43.1179.2-70.9169.9000111.9L520 L538 M539 C544 C545 F546L520-L542 HydrophobicContact CD1-CB 4.02Å; L520-L542 HydrophobicContact CD2-CB 4.15Å; L520-L542 HydrophobicContact CD2-CD1 4.2Å; L538-L542 HydrophobicContact CD1-CD1 4.14Å; L538-L542 HydrophobicContact CD1-CG 4.22Å; L538-L542 HydrophobicContact CG-CD1 4Å; L538-L542 HydrophobicContact CG-CG 4.49Å; L538-L542 WeakPolarHBondContact O-CG 3.23Å; L538-L542 PolarHBondContact O-N 3.49Å; M539-L542 PolarHBondContact O-N 2.95Å; L542-C544 VanDerWaalsContact C-N 3.31Å; L542-C544 PolarHBondContact O-N 2.92Å; L542-C545 PolarHBondContact O-N 3.44Å; L542-F546 HydrophobicContact CD2-CE2 4.41Å; L542-F546 WeakPolarHBondContact O-CB 3.38Å; L542-F546 WeakPolarHBondContact O-CD2 3.38Å; L542-F546 PolarHBondContact O-N 2.82Å
543K88.7Confident88.7Confident39 Ų3975.7 Ų75.717%0.1739%0.393CS..Hα-helixtrans-57.1-44.7174.7-76.6-177.3177.2-159.50111.9L520 E521 D524 M539 C541 W547L520-K543 HydrophobicContact CB-CG 4.26Å; L520-K543 WeakPolarHBondContact O-CE 3.3Å; E521-K543 IonicContact OE1-NZ 2.6Å; E521-K543 PolarHBondContact OE1-NZ 3Å; E521-K543 VanDerWaalsContact OE1-NZ 3.11Å; E521-K543 WeakPolarHBondContact OE2-CE 3.46Å; E521-K543 IonicContact OE2-NZ 3.55Å; E521-K543 PolarHBondContact OE2-NZ 3.46Å; D524-K543 IonicContact OD2-NZ 2.66Å; D524-K543 PolarHBondContact OD2-NZ 3.13Å; M539-K543 WeakPolarHBondContact O-CB 3.45Å; M539-K543 VanDerWaalsContact O-CG 3.3Å; M539-K543 WeakPolarHBondContact O-CG 3.06Å; M539-K543 PolarHBondContact O-N 3Å; C541-K543 PolarHBondContact O-N 3.36Å; K543-W547 WeakPolarHBondContact O-CB 3.31Å; K543-W547 PolarHBondContact O-N 3.38Å
544C90.1Very high89.3Confident75 Ų7570.6 Ų70.651%0.50737%0.371SS..Hα-helixtrans-63.6-48.9176.7-173.40000111.6T540 C541 L542 F546 W547 C548T540-C544 PolarHBondContact O-N 3.06Å; T540-C544 VanDerWaalsContact O-N 3.12Å; C541-C544 WeakPolarHBondContact O-CB 3.31Å; C541-C544 PolarHBondContact O-N 2.93Å; L542-C544 VanDerWaalsContact C-N 3.31Å; L542-C544 PolarHBondContact O-N 2.92Å; C544-F546 PolarHBondContact O-N 2.95Å; C544-W547 WeakPolarHBondContact O-CB 3.32Å; C544-W547 PolarHBondContact O-N 3.3Å; C544-C548 PolarHBondContact O-N 2.89Å; C544-C548 PolarHBondContact O-SG 2.97Å; C544-C548 VanDerWaalsContact O-SG 3.38Å
545C91.9Very high89.6Confident70 Ų7067 Ų6747%0.47336%0.355SS..Hα-helixtrans-59.6-46.7179.4-69.80000112.5C541 L542 C548 L549C541-C545 PolarHBondContact O-N 3.09Å; C541-C545 PolarHBondContact O-SG 3.09Å; C541-C545 VanDerWaalsContact O-SG 3.32Å; L542-C545 PolarHBondContact O-N 3.44Å; C545-C548 PolarHBondContact O-N 2.92Å; C545-L549 WeakPolarHBondContact O-CB 3.42Å; C545-L549 PolarHBondContact O-N 3.36Å
546F91.4Very high90.2Very high45 Ų4566.9 Ų66.920%0.19735%0.349CS..Hα-helixtrans-70.8-30.6178.5-85.4-85000112.7V513 I516 L520 L542 C544 L549 E550V513-F546 HydrophobicContact CG1-CD1 4.28Å; I516-F546 HydrophobicContact CB-CD1 4.02Å; I516-F546 HydrophobicContact CB-CE1 3.82Å; I516-F546 HydrophobicContact CB-CZ 4.39Å; I516-F546 HydrophobicContact CD1-CE1 3.68Å; I516-F546 HydrophobicContact CD1-CZ 4.18Å; I516-F546 HydrophobicContact CG1-CE1 4.35Å; I516-F546 HydrophobicContact CG2-CD1 3.68Å; I516-F546 HydrophobicContact CG2-CD2 4.15Å; I516-F546 HydrophobicContact CG2-CE1 3.4Å; I516-F546 HydrophobicContact CG2-CE2 3.88Å; I516-F546 HydrophobicContact CG2-CG 4.07Å; I516-F546 HydrophobicContact CG2-CZ 3.51Å; L520-F546 HydrophobicContact CD1-CB 4.22Å; L520-F546 HydrophobicContact CD1-CD2 3.6Å; L520-F546 HydrophobicContact CD1-CE2 4.25Å; L520-F546 HydrophobicContact CD1-CG 4.02Å; L542-F546 HydrophobicContact CD2-CE2 4.41Å; L542-F546 WeakPolarHBondContact O-CB 3.38Å; L542-F546 WeakPolarHBondContact O-CD2 3.38Å; L542-F546 PolarHBondContact O-N 2.82Å; C544-F546 PolarHBondContact O-N 2.95Å; F546-L549 HydrophobicContact CD1-CD2 4.22Å; F546-L549 HydrophobicContact CE1-CD2 4.19Å; F546-L549 PolarHBondContact O-N 3.44Å; F546-E550 WeakPolarHBondContact O-CB 3.1Å; F546-E550 PolarHBondContact O-N 3.16Å
547W91.8Very high90.8Very high120 Ų12062.5 Ų62.546%0.45533%0.33SS..Hα-helixtrans-64.8-45.4170.3-178.788.8000111.7K543 C544 E550 K551K543-W547 WeakPolarHBondContact O-CB 3.31Å; K543-W547 PolarHBondContact O-N 3.38Å; C544-W547 WeakPolarHBondContact O-CB 3.32Å; C544-W547 PolarHBondContact O-N 3.3Å; W547-E550 PolarHBondContact O-N 3.41Å; W547-K551 HydrophobicContact CD2-CG 4.49Å; W547-K551 HydrophobicContact CZ2-CG 4.43Å; W547-K551 WeakPolarHBondContact O-CG 3.33Å; W547-K551 PolarHBondContact O-N 3.48Å; W547-K551 VanDerWaalsContact O-N 3.13Å
548C91.1Very high91.3Very high62 Ų6261.6 Ų61.642%0.41932%0.315SS..Hα-helixtrans-61.5-43.7174-71.30000111.6C544 C545 K551 F552C544-C548 PolarHBondContact O-N 2.89Å; C544-C548 PolarHBondContact O-SG 2.97Å; C544-C548 VanDerWaalsContact O-SG 3.38Å; C545-C548 PolarHBondContact O-N 2.92Å; C548-K551 PolarHBondContact O-N 3.45Å; C548-F552 PolarHBondContact O-N 2.93Å
549L93.6Very high91.7Very high69 Ų6958.1 Ų58.136%0.36130%0.296SS..Hα-helixtrans-61.9-45.3177.2-177.761.6000111.4V513 C545 F546 K551 F552 I553V513-L549 HydrophobicContact CG1-CB 4.42Å; V513-L549 HydrophobicContact CG1-CD2 4.24Å; V513-L549 HydrophobicContact CG1-CG 4.16Å; V513-L549 HydrophobicContact CG2-CD2 3.85Å; V513-L549 HydrophobicContact CG2-CG 4.12Å; C545-L549 WeakPolarHBondContact O-CB 3.42Å; C545-L549 PolarHBondContact O-N 3.36Å; F546-L549 HydrophobicContact CD1-CD2 4.22Å; F546-L549 HydrophobicContact CE1-CD2 4.19Å; F546-L549 PolarHBondContact O-N 3.44Å; L549-K551 VanDerWaalsContact C-N 3.29Å; L549-K551 PolarHBondContact O-N 3.05Å; L549-F552 PolarHBondContact O-N 2.88Å; L549-I553 HydrophobicContact CD1-CD1 4.28Å; L549-I553 HydrophobicContact CD1-CG1 3.97Å; L549-I553 HydrophobicContact CG-CG1 4.24Å; L549-I553 WeakPolarHBondContact O-CB 3.32Å; L549-I553 VanDerWaalsContact O-CG1 3.31Å; L549-I553 WeakPolarHBondContact O-CG1 3.31Å; L549-I553 PolarHBondContact O-N 2.93Å
550E93.9Very high92.2Very high11 Ų1157.2 Ų57.25%0.05129%0.292CS..Hα-helixtrans-57.5-43.5176.4-170.8-167.1149.900111.3L510 V513 Q514 R517 F546 W547 K554L510-E550 HydrophobicContact CD1-CG 4Å; V513-E550 HydrophobicContact CG1-CB 3.86Å; V513-E550 HydrophobicContact CG1-CG 4.46Å; Q514-E550 HydrophobicContact CG-CG 4.25Å; R517-E550 WeakPolarHBondContact CD-OE2 3.24Å; R517-E550 IonicContact CZ-OE2 3.42Å; R517-E550 IonicContact NE-OE2 2.67Å; R517-E550 IonicContact NH1-OE1 3.06Å; R517-E550 IonicContact NH1-OE2 2.81Å; R517-E550 PolarHBondContact NH1-OE2 2.83Å; F546-E550 WeakPolarHBondContact O-CB 3.1Å; F546-E550 PolarHBondContact O-N 3.16Å; W547-E550 PolarHBondContact O-N 3.41Å; E550-K554 HydrophobicContact CG-CD 4.31Å; E550-K554 WeakPolarHBondContact O-CB 3.07Å; E550-K554 VanDerWaalsContact O-CG 3.3Å; E550-K554 WeakPolarHBondContact O-CG 3.01Å; E550-K554 PolarHBondContact O-N 3.02Å; E550-K554 WeakPolarHBondContact OE1-CE 2.94Å; E550-K554 IonicContact OE1-NZ 2.94Å; E550-K554 PolarHBondContact OE1-NZ 3.35Å
551K90.8Very high92.8Very high109 Ų10953 Ų5347%0.47427%0.266SS..Hα-helixtrans-64.7-43.9177.2-68.6-64.8-175.1175.90112W547 C548 L549 K554 F555W547-K551 HydrophobicContact CD2-CG 4.49Å; W547-K551 HydrophobicContact CZ2-CG 4.43Å; W547-K551 WeakPolarHBondContact O-CG 3.33Å; W547-K551 PolarHBondContact O-N 3.48Å; W547-K551 VanDerWaalsContact O-N 3.13Å; C548-K551 PolarHBondContact O-N 3.45Å; L549-K551 VanDerWaalsContact C-N 3.29Å; L549-K551 PolarHBondContact O-N 3.05Å; K551-K554 PolarHBondContact O-N 2.9Å; K551-F555 PolarHBondContact O-N 3.06Å
552F92.2Very high93.1Very high98 Ų9849.8 Ų49.843%0.4324%0.244SC..Hα-helixtrans-63.4-46.1177.4177.8-103.4000112.1C548 L549 K554 F555 L556 F579C548-F552 PolarHBondContact O-N 2.93Å; L549-F552 PolarHBondContact O-N 2.88Å; F552-K554 PolarHBondContact O-N 2.98Å; F552-F555 WeakPolarHBondContact O-CB 3.33Å; F552-F555 PolarHBondContact O-N 2.95Å; F552-L556 PolarHBondContact O-N 3.47Å; F552-F579 HydrophobicContact CE2-CE2 4.32Å; F552-F579 HydrophobicContact CZ-CE2 4.36Å
553I94.9Very high93.4Very high19 Ų1947.2 Ų47.210%0.09723%0.231CC..Hα-helixtrans-63.9-40.6177.5-64.7-59000111I509 L510 L549 F555 L556 N557I509-I553 HydrophobicContact CG2-CD1 4.11Å; I509-I553 HydrophobicContact CG2-CG1 4.42Å; I509-I553 HydrophobicContact CG2-CG2 3.96Å; L510-I553 HydrophobicContact CB-CG2 4.11Å; L510-I553 HydrophobicContact CD1-CB 4.45Å; L510-I553 HydrophobicContact CD1-CG2 4.05Å; L549-I553 HydrophobicContact CD1-CD1 4.28Å; L549-I553 HydrophobicContact CD1-CG1 3.97Å; L549-I553 HydrophobicContact CG-CG1 4.24Å; L549-I553 WeakPolarHBondContact O-CB 3.32Å; L549-I553 VanDerWaalsContact O-CG1 3.31Å; L549-I553 WeakPolarHBondContact O-CG1 3.31Å; L549-I553 PolarHBondContact O-N 2.93Å; I553-F555 VanDerWaalsContact C-N 3.33Å; I553-F555 PolarHBondContact O-N 3.27Å; I553-L556 PolarHBondContact O-N 2.88Å; I553-N557 VanDerWaalsContact O-CB 3.25Å; I553-N557 WeakPolarHBondContact O-CB 3.23Å; I553-N557 VanDerWaalsContact O-CG 3.23Å; I553-N557 PolarHBondContact O-N 3.39Å; I553-N557 PolarHBondContact O-OD1 3.44Å
554K94.1Very high93.8Very high77 Ų7745.4 Ų45.434%0.33522%0.222SC..Hα-helixtrans-59.1-43.6173.4-79.5174.6171.1175.80112.2L510 E550 K551 F552 R558L510-K554 HydrophobicContact CD1-CD 4.49Å; L510-K554 HydrophobicContact CD1-CG 3.78Å; L510-K554 HydrophobicContact CD2-CG 3.83Å; E550-K554 HydrophobicContact CG-CD 4.31Å; E550-K554 WeakPolarHBondContact O-CB 3.07Å; E550-K554 VanDerWaalsContact O-CG 3.3Å; E550-K554 WeakPolarHBondContact O-CG 3.01Å; E550-K554 PolarHBondContact O-N 3.02Å; E550-K554 WeakPolarHBondContact OE1-CE 2.94Å; E550-K554 IonicContact OE1-NZ 2.94Å; E550-K554 PolarHBondContact OE1-NZ 3.35Å; K551-K554 PolarHBondContact O-N 2.9Å; F552-K554 PolarHBondContact O-N 2.98Å; K554-R558 WeakPolarHBondContact O-CB 3.23Å; K554-R558 PolarHBondContact O-N 3.34Å; K554-R558 VanDerWaalsContact O-N 3.08Å
555F91.6Very high94Very high73 Ų7341.9 Ų41.932%0.3220%0.199SC..Hα-helixtrans-62.8-48175.3170.8-95.2000111.6K551 F552 I553 R558 N559 L582K551-F555 PolarHBondContact O-N 3.06Å; F552-F555 WeakPolarHBondContact O-CB 3.33Å; F552-F555 PolarHBondContact O-N 2.95Å; I553-F555 VanDerWaalsContact C-N 3.33Å; I553-F555 PolarHBondContact O-N 3.27Å; F555-R558 PolarHBondContact O-N 3.21Å; F555-N559 WeakPolarHBondContact CE2-ND2 3.23Å; F555-N559 PolarHBondContact O-N 3.42Å; F555-N559 PolarHBondContact O-ND2 2.92Å; F555-L582 HydrophobicContact CE1-CD1 4.28Å; F555-L582 HydrophobicContact CZ-CD1 3.78Å
556L94Very high94.1Very high32 Ų3238.6 Ų38.617%0.16818%0.177CC..Hα-helixtrans-61.6-49.5179.5-175.467.6000111.4F552 I553 R558 N559 A560 A575 F579F552-L556 PolarHBondContact O-N 3.47Å; I553-L556 PolarHBondContact O-N 2.88Å; L556-R558 PolarHBondContact O-N 2.64Å; L556-N559 PolarHBondContact O-N 2.96Å; L556-A560 VanDerWaalsContact O-CB 3.3Å; L556-A560 WeakPolarHBondContact O-CB 3.36Å; L556-A560 PolarHBondContact O-N 3.39Å; L556-A575 HydrophobicContact CD1-CB 4.11Å; L556-A575 HydrophobicContact CD2-CB 4.44Å; L556-A575 HydrophobicContact CG-CB 4.18Å; L556-F579 HydrophobicContact CD1-CB 4.14Å; L556-F579 HydrophobicContact CD1-CD2 4.5Å
557N95.8Very high94.1Very high4 Ų438.1 Ų38.12%0.02117%0.174CC..Hα-helixtrans-56.2-49.9178.8-77.78.7000111.3G506 I553 N559 A560 Y561 F571G506-N557 PolarHBondContact O-ND2 3.37Å; I553-N557 VanDerWaalsContact O-CB 3.25Å; I553-N557 WeakPolarHBondContact O-CB 3.23Å; I553-N557 VanDerWaalsContact O-CG 3.23Å; I553-N557 PolarHBondContact O-N 3.39Å; I553-N557 PolarHBondContact O-OD1 3.44Å; N557-N559 VanDerWaalsContact C-N 3.3Å; N557-N559 PolarHBondContact O-N 2.88Å; N557-A560 PolarHBondContact O-N 3.49Å; N557-Y561 HydrophobicContact CB-CD2 4.36Å; N557-Y561 HydrophobicContact CB-CE2 3.73Å; N557-Y561 WeakPolarHBondContact O-CB 3.36Å; N557-Y561 WeakPolarHBondContact O-CD2 3.36Å; N557-Y561 PolarHBondContact O-N 2.02Å; N557-F571 WeakPolarHBondContact OD1-CZ 3.08Å
558R94.8Very high94.1Very high66 Ų6632.9 Ų32.925%0.24916%0.157CC..Hα-helixtrans-55.1-45.8-179.2-175.1171.7-179173.3-4.1111.8K554 F555 L556 I562 G659 M660 D663K554-R558 WeakPolarHBondContact O-CB 3.23Å; K554-R558 PolarHBondContact O-N 3.34Å; K554-R558 VanDerWaalsContact O-N 3.08Å; F555-R558 PolarHBondContact O-N 3.21Å; L556-R558 PolarHBondContact O-N 2.64Å; R558-I562 WeakPolarHBondContact O-CG1 3.36Å; R558-I562 PolarHBondContact O-N 3.35Å; R558-G659 VanDerWaalsContact NH2-C 3.34Å; R558-G659 PolarHBondContact NH2-O 3.12Å; R558-M660 HydrophobicContact CG-CE 4.33Å; R558-M660 HydrophobicContact CG-SD 3.99Å; R558-M660 PolarHBondContact NE-SD 3.2Å; R558-M660 VanDerWaalsContact NE-SD 3.37Å; R558-D663 IonicContact CZ-OD2 3.65Å; R558-D663 IonicContact NE-OD2 3.94Å; R558-D663 PolarHBondContact NE-OD2 3.34Å; R558-D663 IonicContact NH1-OD2 3.57Å; R558-D663 IonicContact NH2-OD2 3.73Å; R558-D663 PolarHBondContact NH2-OD2 3.12Å
559N95.1Very high94.3Very high13 Ų1332 Ų327%0.0715%0.15CC..Hα-helixtrans-75.8-35.4-180-67.7-71.8000112.9F555 L556 N557 Y561 I562 M563 A578 L582F555-N559 WeakPolarHBondContact CE2-ND2 3.23Å; F555-N559 PolarHBondContact O-N 3.42Å; F555-N559 PolarHBondContact O-ND2 2.92Å; L556-N559 PolarHBondContact O-N 2.96Å; N557-N559 VanDerWaalsContact C-N 3.3Å; N557-N559 PolarHBondContact O-N 2.88Å; N559-Y561 VanDerWaalsContact C-N 3.33Å; N559-Y561 PolarHBondContact O-N 2.93Å; N559-I562 PolarHBondContact O-N 3.43Å; N559-M563 PolarHBondContact O-N 3.29Å; N559-A578 HydrophobicContact CB-CB 3.9Å; N559-L582 HydrophobicContact CB-CD1 3.88Å; N559-L582 VanDerWaalsContact CG-CD1 3.44Å
560A96.9Very high94.3Very high0 Ų031.5 Ų31.50%015%0.148CC..Hα-helixtrans-60.6-43.4173.200000111.4L556 N557 I562 M563 I564 F571 S574 A575L556-A560 VanDerWaalsContact O-CB 3.3Å; L556-A560 WeakPolarHBondContact O-CB 3.36Å; L556-A560 PolarHBondContact O-N 3.39Å; N557-A560 PolarHBondContact O-N 3.49Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 3.4Å; A560-M563 PolarHBondContact O-N 2.98Å; A560-M563 VanDerWaalsContact O-N 3.12Å; A560-I564 WeakPolarHBondContact O-CG1 3.43Å; A560-I564 PolarHBondContact O-N 2.97Å; A560-F571 HydrophobicContact CB-CD2 4.35Å; A560-F571 HydrophobicContact CB-CE2 3.96Å; A560-F571 HydrophobicContact CB-CZ 4.39Å; A560-S574 WeakPolarHBondContact O-CB 3.45Å; A560-A575 HydrophobicContact CB-CB 3.73Å
561Y97.4Very high94.4Very high4 Ų431.3 Ų31.32%0.01615%0.147CC..Hα-helixtrans-61.9-35.8177.3-66.9-30.2000113.1A460 Q463 V464 G506 A507 N557 N559 I564 A565 F571A460-Y561 HydrophobicContact CB-CD2 4.28Å; A460-Y561 HydrophobicContact CB-CE1 4.09Å; A460-Y561 HydrophobicContact CB-CE2 3.52Å; A460-Y561 VanDerWaalsContact CB-CZ 3.44Å; A460-Y561 WeakPolarHBondContact CB-OH 3.26Å; Q463-Y561 HydrophobicContact CB-CD2 4.03Å; V464-Y561 VanDerWaalsContact CG2-CB 3.47Å; V464-Y561 HydrophobicContact CG2-CD1 3.78Å; V464-Y561 HydrophobicContact CG2-CG 3.72Å; G506-Y561 WeakPolarHBondContact CA-OH 3.49Å; A507-Y561 PolarHBondContact N-OH 2.82Å; N557-Y561 HydrophobicContact CB-CD2 4.36Å; N557-Y561 HydrophobicContact CB-CE2 3.73Å; N557-Y561 WeakPolarHBondContact O-CB 3.36Å; N557-Y561 WeakPolarHBondContact O-CD2 3.36Å; N557-Y561 PolarHBondContact O-N 2.02Å; N559-Y561 VanDerWaalsContact C-N 3.33Å; N559-Y561 PolarHBondContact O-N 2.93Å; Y561-I564 HydrophobicContact CD1-CD1 3.89Å; Y561-I564 PolarHBondContact O-N 3.23Å; Y561-A565 WeakPolarHBondContact O-CB 3.34Å; Y561-A565 PolarHBondContact O-N 2.98Å; Y561-F571 HydrophobicContact CE1-CD2 4.07Å; Y561-F571 AromaticContact CE1-CE2 3.95Å; Y561-F571 HydrophobicContact CE1-CE2 3.95Å
562I96.6Very high94.6Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-63.3-46172.5-62.9166000110.1A467 R558 N559 A560 I564 A565 I566 M660 D663 T664 L667A467-I562 HydrophobicContact CB-CB 4.26Å; A467-I562 HydrophobicContact CB-CG1 3.85Å; A467-I562 HydrophobicContact CB-CG2 4.43Å; R558-I562 WeakPolarHBondContact O-CG1 3.36Å; R558-I562 PolarHBondContact O-N 3.35Å; N559-I562 PolarHBondContact O-N 3.43Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 3.4Å; I562-I564 PolarHBondContact O-N 3.4Å; I562-A565 WeakPolarHBondContact O-CB 3.32Å; I562-A565 PolarHBondContact O-N 3.35Å; I562-A565 VanDerWaalsContact O-N 3.14Å; I562-I566 HydrophobicContact CG2-CD1 4.03Å; I562-I566 WeakPolarHBondContact O-CG1 3.43Å; I562-I566 PolarHBondContact O-N 3.22Å; I562-I566 VanDerWaalsContact O-N 3.08Å; I562-M660 HydrophobicContact CG1-CE 4.36Å; I562-D663 HydrophobicContact CD1-CB 3.79Å; I562-T664 HydrophobicContact CG2-CG2 4.17Å; I562-L667 HydrophobicContact CB-CD2 3.94Å; I562-L667 HydrophobicContact CG2-CB 4.18Å; I562-L667 HydrophobicContact CG2-CD2 3.46Å; I562-L667 VanDerWaalsContact CG2-CD2 3.46Å; I562-L667 HydrophobicContact CG2-CG 4.45Å
563M95.3Very high94.7Very high6 Ų627.7 Ų27.73%0.0314%0.144CC..Hα-helixtrans-65.1-38.1177.2-68.6-60.2-8200112.8N559 A560 A565 I566 Y567 N577 A578 L667N559-M563 PolarHBondContact O-N 3.29Å; A560-M563 PolarHBondContact O-N 2.98Å; A560-M563 VanDerWaalsContact O-N 3.12Å; M563-A565 VanDerWaalsContact C-N 3.29Å; M563-A565 PolarHBondContact O-N 3.02Å; M563-I566 PolarHBondContact O-N 3.3Å; M563-Y567 HydrophobicContact CE-CD2 3.77Å; M563-Y567 HydrophobicContact CE-CE2 3.3Å; M563-Y567 WeakPolarHBondContact O-CD2 3.29Å; M563-Y567 PolarHBondContact O-N 3.11Å; M563-Y567 HydrophobicContact SD-CD2 4.22Å; M563-Y567 HydrophobicContact SD-CE2 3.86Å; M563-N577 HydrophobicContact CE-CB 3.77Å; M563-A578 HydrophobicContact CG-CB 3.62Å; M563-L667 HydrophobicContact CG-CD2 3.81Å; M563-L667 HydrophobicContact SD-CD2 3.48Å; M563-L667 WeakPolarHBondContact SD-CD2 3.48Å
564I96.2Very high94.7Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-59.8-43.7171.9-67.3162000109.6R27 H499 A560 Y561 I562 I566 G568 F571 S574R27-I564 PolarHBondContact NH1-O 2.88Å; H499-I564 HydrophobicContact CB-CG2 3.93Å; A560-I564 WeakPolarHBondContact O-CG1 3.43Å; A560-I564 PolarHBondContact O-N 2.97Å; Y561-I564 HydrophobicContact CD1-CD1 3.89Å; Y561-I564 PolarHBondContact O-N 3.23Å; I562-I564 PolarHBondContact O-N 3.4Å; I564-I566 VanDerWaalsContact C-N 3.29Å; I564-I566 PolarHBondContact O-N 3.49Å; I564-G568 VanDerWaalsContact O-CA 3.28Å; I564-G568 WeakPolarHBondContact O-CA 3.26Å; I564-G568 PolarHBondContact O-N 3.23Å; I564-F571 HydrophobicContact CD1-CD2 4.2Å; I564-S574 VanDerWaalsContact CG1-OG 3.28Å; I564-S574 WeakPolarHBondContact CG1-OG 3.21Å; I564-S574 PolarHBondContact N-OG 2.95Å
565A95.8Very high94.8Very high2 Ų223.5 Ų23.52%0.01713%0.126CC..Hα-helixtrans-63.3-34.118000000112.8R27 V464 A467 Y561 I562 M563R27-A565 PolarHBondContact NH1-O 2.94Å; R27-A565 PolarHBondContact NH2-O 3.39Å; V464-A565 HydrophobicContact CG1-CB 4.16Å; A467-A565 HydrophobicContact CB-CB 3.84Å; Y561-A565 WeakPolarHBondContact O-CB 3.34Å; Y561-A565 PolarHBondContact O-N 2.98Å; I562-A565 WeakPolarHBondContact O-CB 3.32Å; I562-A565 PolarHBondContact O-N 3.35Å; I562-A565 VanDerWaalsContact O-N 3.14Å; M563-A565 VanDerWaalsContact C-N 3.29Å; M563-A565 PolarHBondContact O-N 3.02Å
566I93.4Very high94.9Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-79.6-52178.3-62.4166.2000111.5F20 P23 I24 R27 A471 I562 M563 I564F20-I566 HydrophobicContact CE2-CG2 4.04Å; F20-I566 HydrophobicContact CZ-CG2 3.71Å; P23-I566 VanDerWaalsContact CA-O 3.3Å; P23-I566 WeakPolarHBondContact CA-O 3.31Å; I24-I566 PolarHBondContact N-O 2.85Å; R27-I566 PolarHBondContact NH2-O 3.36Å; A471-I566 HydrophobicContact CB-CD1 4.49Å; A471-I566 HydrophobicContact CB-CG1 3.8Å; I562-I566 HydrophobicContact CG2-CD1 4.03Å; I562-I566 WeakPolarHBondContact O-CG1 3.43Å; I562-I566 PolarHBondContact O-N 3.22Å; I562-I566 VanDerWaalsContact O-N 3.08Å; M563-I566 PolarHBondContact O-N 3.3Å; I564-I566 VanDerWaalsContact C-N 3.29Å; I564-I566 PolarHBondContact O-N 3.49Å
567Y91.6Very high94.8Very high35 Ų3529.1 Ų29.114%0.13715%0.148CC..Hα-helixtrans-101.3-22.9-167.7-67.6-84.5000114.8F20 I24 M563 T569 E671 R675F20-Y567 HydrophobicContact CE2-CD1 4.46Å; F20-Y567 HydrophobicContact CE2-CE1 4.04Å; I24-Y567 HydrophobicContact CD1-CD1 4.28Å; M563-Y567 HydrophobicContact CE-CD2 3.77Å; M563-Y567 HydrophobicContact CE-CE2 3.3Å; M563-Y567 WeakPolarHBondContact O-CD2 3.29Å; M563-Y567 PolarHBondContact O-N 3.11Å; M563-Y567 HydrophobicContact SD-CD2 4.22Å; M563-Y567 HydrophobicContact SD-CE2 3.86Å; Y567-T569 VanDerWaalsContact C-N 3.26Å; Y567-T569 PolarHBondContact O-N 3.21Å; Y567-E671 WeakPolarHBondContact CE2-OE2 3.41Å; Y567-E671 PolarHBondContact OH-OE1 3.35Å; Y567-E671 PolarHBondContact OH-OE2 3.47Å; Y567-R675 VanDerWaalsContact CE1-NH2 3.34Å; Y567-R675 PolarHBondContact OH-NH2 2.88Å
568G92Very high94.7Very high10 Ų1028.9 Ų28.910%0.10315%0.147CC..  trans67.625.4-174.300000114.4R27 T30 H499 I564R27-G568 VanDerWaalsContact NH1-CA 3.29Å; T30-G568 VanDerWaalsContact CG2-O 3.24Å; T30-G568 WeakPolarHBondContact CG2-O 3.48Å; H499-G568 WeakPolarHBondContact CE1-CA 3.33Å; H499-G568 PolarHBondContact CE1-O 3.48Å; H499-G568 WeakPolarHBondContact NE2-CA 3.42Å; I564-G568 VanDerWaalsContact O-CA 3.28Å; I564-G568 WeakPolarHBondContact O-CA 3.26Å; I564-G568 PolarHBondContact O-N 3.23Å
569T93.7Very high94.6Very high45 Ų4528.1 Ų28.128%0.27615%0.145SC..  trans-82.3166.2172.850.60000111.6Y567 T573 S574Y567-T569 VanDerWaalsContact C-N 3.26Å; Y567-T569 PolarHBondContact O-N 3.21Å; T569-T573 HydrophobicContact CG2-CG2 4.43Å; T569-S574 PolarHBondContact OG1-OG 2.74Å
570N94.6Very high94.4Very high58 Ų5829.8 Ų29.831%0.3115%0.152SC..  trans-65.1166.8175.668.544.4000112.9D31 C572 T573 S574D31-N570 WeakPolarHBondContact OD2-CA 3.23Å; D31-N570 WeakPolarHBondContact OD2-CB 3.49Å; N570-C572 PolarHBondContact O-N 3.11Å; N570-C572 PolarHBondContact OD1-N 3.22Å; N570-T573 PolarHBondContact O-N 2.97Å; N570-T573 VanDerWaalsContact OD1-CB 3.24Å; N570-T573 WeakPolarHBondContact OD1-CB 3.48Å; N570-T573 PolarHBondContact OD1-N 3.25Å; N570-T573 PolarHBondContact OD1-OG1 3.39Å; N570-S574 WeakPolarHBondContact O-CB 3.37Å; N570-S574 PolarHBondContact O-N 2.86Å; N570-S574 PolarHBondContact O-OG 3.42Å
571F95.8Very high94Very high7 Ų730 Ų303%0.03115%0.153CC..Hα-helixtrans-60.4-48.7-173.1178.6-88.7000113.4D31 F505 I509 N557 A560 Y561 I564 T573 S574 A575D31-F571 PolarHBondContact OD2-N 3Å; F505-F571 HydrophobicContact CD1-CB 3.85Å; F505-F571 AromaticContact CD1-CD1 3.41Å; F505-F571 HydrophobicContact CD1-CD1 3.41Å; F505-F571 VanDerWaalsContact CD1-CD1 3.41Å; F505-F571 HydrophobicContact CD1-CE1 4.16Å; F505-F571 AromaticContact CD1-CG 3.76Å; F505-F571 HydrophobicContact CD1-CG 3.76Å; F505-F571 AromaticContact CE1-CD1 3.63Å; F505-F571 HydrophobicContact CE1-CD1 3.63Å; F505-F571 HydrophobicContact CE1-CE1 4.2Å; F505-F571 HydrophobicContact CE1-CG 4.41Å; I509-F571 HydrophobicContact CD1-CE1 3.99Å; N557-F571 WeakPolarHBondContact OD1-CZ 3.08Å; A560-F571 HydrophobicContact CB-CD2 4.35Å; A560-F571 HydrophobicContact CB-CE2 3.96Å; A560-F571 HydrophobicContact CB-CZ 4.39Å; Y561-F571 HydrophobicContact CE1-CD2 4.07Å; Y561-F571 AromaticContact CE1-CE2 3.95Å; Y561-F571 HydrophobicContact CE1-CE2 3.95Å; I564-F571 HydrophobicContact CD1-CD2 4.2Å; F571-T573 PolarHBondContact O-N 3.43Å; F571-S574 PolarHBondContact O-N 3.36Å; F571-A575 HydrophobicContact CE1-CB 4.22Å; F571-A575 HydrophobicContact CZ-CB 4.47Å; F571-A575 VanDerWaalsContact O-CB 3.23Å; F571-A575 WeakPolarHBondContact O-CB 3.31Å; F571-A575 PolarHBondContact O-N 3.32Å
572C94.8Very high93.6Very high74 Ų7430.2 Ų30.250%0.515%0.154SC..Hα-helixtrans-64.3-42.6-176.2-69.70000112.2N570 A575 R576N570-C572 PolarHBondContact O-N 3.11Å; N570-C572 PolarHBondContact OD1-N 3.22Å; C572-A575 PolarHBondContact O-N 3.06Å; C572-R576 WeakPolarHBondContact O-CB 3.31Å; C572-R576 PolarHBondContact O-N 3.36Å
573T94.2Very high93.2Very high56 Ų5632.5 Ų32.534%0.34417%0.166SC..Hα-helixtrans-63.9-46.3176.1-61.70000110.7T569 N570 F571 R576 N577T569-T573 HydrophobicContact CG2-CG2 4.43Å; N570-T573 PolarHBondContact O-N 2.97Å; N570-T573 VanDerWaalsContact OD1-CB 3.24Å; N570-T573 WeakPolarHBondContact OD1-CB 3.48Å; N570-T573 PolarHBondContact OD1-N 3.25Å; N570-T573 PolarHBondContact OD1-OG1 3.39Å; F571-T573 PolarHBondContact O-N 3.43Å; T573-R576 PolarHBondContact O-N 3.09Å; T573-N577 WeakPolarHBondContact O-CB 3.3Å; T573-N577 PolarHBondContact O-N 2.92Å; T573-N577 PolarHBondContact O-ND2 2.97Å; T573-N577 PolarHBondContact O-OD1 3.49Å
574S95.8Very high92.8Very high0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-63.4-42.1177.6-72.30000112.9A560 I564 T569 N570 F571 N577 A578A560-S574 WeakPolarHBondContact O-CB 3.45Å; I564-S574 VanDerWaalsContact CG1-OG 3.28Å; I564-S574 WeakPolarHBondContact CG1-OG 3.21Å; I564-S574 PolarHBondContact N-OG 2.95Å; T569-S574 PolarHBondContact OG1-OG 2.74Å; N570-S574 WeakPolarHBondContact O-CB 3.37Å; N570-S574 PolarHBondContact O-N 2.86Å; N570-S574 PolarHBondContact O-OG 3.42Å; F571-S574 PolarHBondContact O-N 3.36Å; S574-N577 PolarHBondContact O-N 3.16Å; S574-A578 VanDerWaalsContact O-CB 3.23Å; S574-A578 WeakPolarHBondContact O-CB 3.23Å; S574-A578 PolarHBondContact O-N 3.11Å
575A95.1Very high92.2Very high8 Ų835.6 Ų35.67%0.06618%0.18CC..Hα-helixtrans-63.2-44.517700000111.6L556 A560 F571 C572 F579L556-A575 HydrophobicContact CD1-CB 4.11Å; L556-A575 HydrophobicContact CD2-CB 4.44Å; L556-A575 HydrophobicContact CG-CB 4.18Å; A560-A575 HydrophobicContact CB-CB 3.73Å; F571-A575 HydrophobicContact CE1-CB 4.22Å; F571-A575 HydrophobicContact CZ-CB 4.47Å; F571-A575 VanDerWaalsContact O-CB 3.23Å; F571-A575 WeakPolarHBondContact O-CB 3.31Å; F571-A575 PolarHBondContact O-N 3.32Å; C572-A575 PolarHBondContact O-N 3.06Å; A575-F579 WeakPolarHBondContact O-CB 3.43Å; A575-F579 PolarHBondContact O-N 3.34Å
576R94.3Very high91.6Very high162 Ų16239.3 Ų39.361%0.61120%0.198SC*.Hα-helixtrans-60.6-50.2175.4179.9-177.5175.4-172.5-1.9111.5C572 T573 A578 F579 F580C572-R576 WeakPolarHBondContact O-CB 3.31Å; C572-R576 PolarHBondContact O-N 3.36Å; T573-R576 PolarHBondContact O-N 3.09Å; R576-A578 PolarHBondContact O-N 3.06Å; R576-F579 PolarHBondContact O-N 2.77Å; R576-F580 HydrophobicContact CG-CD2 4.05Å; R576-F580 HydrophobicContact CG-CE2 3.83Å; R576-F580 HydrophobicContact CG-CZ 4.16Å; R576-F580 WeakPolarHBondContact O-CB 3.44Å; R576-F580 WeakPolarHBondContact O-CG 3.45Å; R576-F580 PolarHBondContact O-N 3.25Å
577N91.8Very high90.9Very high61 Ų6144.4 Ų44.433%0.32622%0.224SC..Hα-helixtrans-63.9-43.1-177.9-67.5-8.7000111.3M563 T573 S574 L581M563-N577 HydrophobicContact CE-CB 3.77Å; T573-N577 WeakPolarHBondContact O-CB 3.3Å; T573-N577 PolarHBondContact O-N 2.92Å; T573-N577 PolarHBondContact O-ND2 2.97Å; T573-N577 PolarHBondContact O-OD1 3.49Å; S574-N577 PolarHBondContact O-N 3.16Å; N577-L581 WeakPolarHBondContact O-CB 3.39Å; N577-L581 PolarHBondContact O-N 2.91Å
578A93.2Very high90.3Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-60.5-49.1175.400000111.5N559 M563 S574 R576 F580 L581 L582N559-A578 HydrophobicContact CB-CB 3.9Å; M563-A578 HydrophobicContact CG-CB 3.62Å; S574-A578 VanDerWaalsContact O-CB 3.23Å; S574-A578 WeakPolarHBondContact O-CB 3.23Å; S574-A578 PolarHBondContact O-N 3.11Å; R576-A578 PolarHBondContact O-N 3.06Å; A578-F580 PolarHBondContact O-N 3.42Å; A578-L581 PolarHBondContact O-N 2.03Å; A578-L582 WeakPolarHBondContact O-CB 3.38Å; A578-L582 WeakPolarHBondContact O-CG 3.47Å; A578-L582 PolarHBondContact O-N 2.79Å
579F92.4Very high89.7Confident49 Ų4947.8 Ų47.822%0.21524%0.235CC..Hα-helixtrans-60.8-45-178.7178.8-101.6000112.1F552 L556 A575 R576 L582 M583F552-F579 HydrophobicContact CE2-CE2 4.32Å; F552-F579 HydrophobicContact CZ-CE2 4.36Å; L556-F579 HydrophobicContact CD1-CB 4.14Å; L556-F579 HydrophobicContact CD1-CD2 4.5Å; A575-F579 WeakPolarHBondContact O-CB 3.43Å; A575-F579 PolarHBondContact O-N 3.34Å; R576-F579 PolarHBondContact O-N 2.77Å; F579-L582 PolarHBondContact O-N 3.31Å; F579-M583 HydrophobicContact CD1-CG 4.24Å; F579-M583 HydrophobicContact CD2-CE 4.29Å; F579-M583 HydrophobicContact CD2-CG 4.35Å; F579-M583 HydrophobicContact CE1-CG 3.83Å; F579-M583 HydrophobicContact CE2-CE 3.33Å; F579-M583 HydrophobicContact CE2-CG 3.98Å; F579-M583 HydrophobicContact CE2-SD 4.49Å; F579-M583 HydrophobicContact CG-CG 4.48Å; F579-M583 HydrophobicContact CZ-CE 3.46Å; F579-M583 VanDerWaalsContact CZ-CE 3.46Å; F579-M583 HydrophobicContact CZ-CG 3.69Å; F579-M583 HydrophobicContact CZ-SD 4.31Å; F579-M583 WeakPolarHBondContact O-CB 3.25Å; F579-M583 WeakPolarHBondContact O-CG 2.95Å; F579-M583 PolarHBondContact O-N 2.79Å
580F91.3Very high89Confident49 Ų4948 Ų4822%0.21524%0.242CC..Hα-helixtrans-65.8-42.3177.7-77-2.4000113Y10 R576 A578 L582 M583 R584Y10-F580 HydrophobicContact CD1-CD1 4.26Å; Y10-F580 HydrophobicContact CD1-CE1 4.5Å; Y10-F580 VanDerWaalsContact O-CB 3.28Å; Y10-F580 WeakPolarHBondContact O-CB 3.3Å; Y10-F580 WeakPolarHBondContact O-CG 3.36Å; R576-F580 HydrophobicContact CG-CD2 4.05Å; R576-F580 HydrophobicContact CG-CE2 3.83Å; R576-F580 HydrophobicContact CG-CZ 4.16Å; R576-F580 WeakPolarHBondContact O-CB 3.44Å; R576-F580 WeakPolarHBondContact O-CG 3.45Å; R576-F580 PolarHBondContact O-N 3.25Å; A578-F580 PolarHBondContact O-N 3.42Å; F580-L582 VanDerWaalsContact C-N 3.3Å; F580-L582 PolarHBondContact O-N 3.34Å; F580-M583 PolarHBondContact O-N 2.83Å; F580-R584 WeakPolarHBondContact O-CG 3.39Å; F580-R584 PolarHBondContact O-N 3.18Å; F580-R584 VanDerWaalsContact O-N 3.13Å; F580-R584 PolarHBondContact O-NE 3.5Å
581L89.4Confident88Confident5 Ų546.8 Ų46.83%0.02624%0.236CC..Hα-helixtrans-58.2-43.5174.5-179.362.1000111.8N577 A578 N585 L667 L670 E671 E674N577-L581 WeakPolarHBondContact O-CB 3.39Å; N577-L581 PolarHBondContact O-N 2.91Å; A578-L581 PolarHBondContact O-N 2.03Å; L581-N585 PolarHBondContact O-ND2 2.97Å; L581-L667 HydrophobicContact CD2-CD1 4.09Å; L581-L667 HydrophobicContact CD2-CG 3.94Å; L581-L670 HydrophobicContact CD1-CB 4.06Å; L581-L670 HydrophobicContact CD2-CB 4.32Å; L581-L670 HydrophobicContact CG-CB 4.16Å; L581-E671 HydrophobicContact CD2-CB 4.33Å; L581-E674 WeakPolarHBondContact CD1-OE1 3.21Å
582L89.6Confident87.2Confident7 Ų747 Ų474%0.03724%0.238CC..Hα-helixtrans-71.3-41.5179.3-65.5169.6000112.3F555 N559 A578 F579 F580 R584 N585 I586 V589 L667 L670F555-L582 HydrophobicContact CE1-CD1 4.28Å; F555-L582 HydrophobicContact CZ-CD1 3.78Å; N559-L582 HydrophobicContact CB-CD1 3.88Å; N559-L582 VanDerWaalsContact CG-CD1 3.44Å; A578-L582 WeakPolarHBondContact O-CB 3.38Å; A578-L582 WeakPolarHBondContact O-CG 3.47Å; A578-L582 PolarHBondContact O-N 2.79Å; F579-L582 PolarHBondContact O-N 3.31Å; F580-L582 VanDerWaalsContact C-N 3.3Å; F580-L582 PolarHBondContact O-N 3.34Å; L582-R584 VanDerWaalsContact C-N 3.34Å; L582-R584 PolarHBondContact O-N 3.04Å; L582-N585 CarbonylContact O-C 3.54Å; L582-N585 WeakPolarHBondContact O-CA 3.45Å; L582-N585 PolarHBondContact O-N 2.79Å; L582-I586 WeakPolarHBondContact O-CA 2.91Å; L582-I586 PolarHBondContact O-N 3.39Å; L582-V589 HydrophobicContact CB-CG2 4.22Å; L582-V589 HydrophobicContact CD2-CB 4.4Å; L582-V589 HydrophobicContact CD2-CG1 3.88Å; L582-V589 HydrophobicContact CD2-CG2 3.56Å; L582-L667 HydrophobicContact CD1-CD1 4.4Å; L582-L667 HydrophobicContact CD2-CD1 3.73Å; L582-L667 HydrophobicContact CG-CD1 4.06Å; L582-L670 HydrophobicContact CD2-CD1 4.03Å
583M86.9Confident86.6Confident49 Ų4945.5 Ų45.524%0.24123%0.225CC..Hα-helixtrans-64.4-36.6-179.5-80-62.4171.400112.7Y10 F579 F580 N585 I586Y10-M583 HydrophobicContact CD1-CB 3.63Å; Y10-M583 HydrophobicContact CD1-CG 4.15Å; Y10-M583 HydrophobicContact CD2-CB 4.29Å; Y10-M583 HydrophobicContact CE1-CB 3.83Å; Y10-M583 HydrophobicContact CE1-CG 4Å; Y10-M583 HydrophobicContact CE2-CB 4.47Å; Y10-M583 HydrophobicContact CG-CB 3.88Å; F579-M583 HydrophobicContact CD1-CG 4.24Å; F579-M583 HydrophobicContact CD2-CE 4.29Å; F579-M583 HydrophobicContact CD2-CG 4.35Å; F579-M583 HydrophobicContact CE1-CG 3.83Å; F579-M583 HydrophobicContact CE2-CE 3.33Å; F579-M583 HydrophobicContact CE2-CG 3.98Å; F579-M583 HydrophobicContact CE2-SD 4.49Å; F579-M583 HydrophobicContact CG-CG 4.48Å; F579-M583 HydrophobicContact CZ-CE 3.46Å; F579-M583 VanDerWaalsContact CZ-CE 3.46Å; F579-M583 HydrophobicContact CZ-CG 3.69Å; F579-M583 HydrophobicContact CZ-SD 4.31Å; F579-M583 WeakPolarHBondContact O-CB 3.25Å; F579-M583 WeakPolarHBondContact O-CG 2.95Å; F579-M583 PolarHBondContact O-N 2.79Å; F580-M583 PolarHBondContact O-N 2.83Å; M583-N585 PolarHBondContact O-N 3.01Å; M583-I586 HydrophobicContact CE-CD1 4.4Å; M583-I586 PolarHBondContact O-N 2.75Å; M583-I586 HydrophobicContact SD-CD1 3.78Å; M583-I586 HydrophobicContact SD-CG1 4.48Å
584R86.8Confident86Confident39 Ų3949.5 Ų49.515%0.14724%0.238CC..Hα-helixtrans-62.8-27.3172.8-69177-58.7-174.111.6112.7G11 T12 P13 F580 L582 E674G11-R584 PolarHBondContact O-NH1 3.26Å; T12-R584 PolarHBondContact O-NH1 2.88Å; P13-R584 VanDerWaalsContact N-NH1 3.14Å; F580-R584 WeakPolarHBondContact O-CG 3.39Å; F580-R584 PolarHBondContact O-N 3.18Å; F580-R584 VanDerWaalsContact O-N 3.13Å; F580-R584 PolarHBondContact O-NE 3.5Å; L582-R584 VanDerWaalsContact C-N 3.34Å; L582-R584 PolarHBondContact O-N 3.04Å; R584-E674 IonicContact CZ-OE1 2.81Å; R584-E674 IonicContact CZ-OE2 3.73Å; R584-E674 IonicContact NE-OE1 2.87Å; R584-E674 PolarHBondContact NE-OE1 3.26Å; R584-E674 IonicContact NH1-OE1 3.11Å; R584-E674 IonicContact NH1-OE2 3.74Å; R584-E674 IonicContact NH2-OE1 2.71Å; R584-E674 PolarHBondContact NH2-OE1 2.78Å; R584-E674 IonicContact NH2-OE2 2.72Å; R584-E674 PolarHBondContact NH2-OE2 3.4Å
585N84.1Confident85.3Confident32 Ų3249.9 Ų49.917%0.17124%0.24CC..THydrogen-bonded Turntrans-114.223.4-178.2-69.9-80.6000113.5L581 L582 M583 I587 R588 V589 L670L581-N585 PolarHBondContact O-ND2 2.97Å; L582-N585 CarbonylContact O-C 3.54Å; L582-N585 WeakPolarHBondContact O-CA 3.45Å; L582-N585 PolarHBondContact O-N 2.79Å; M583-N585 PolarHBondContact O-N 3.01Å; N585-I587 VanDerWaalsContact C-N 3.31Å; N585-I587 PolarHBondContact O-N 3.5Å; N585-I587 VanDerWaalsContact O-N 3.07Å; N585-R588 WeakPolarHBondContact O-CB 3.46Å; N585-R588 PolarHBondContact O-N 3.48Å; N585-V589 HydrophobicContact CB-CG2 4.26Å; N585-V589 WeakPolarHBondContact O-CG2 3.36Å; N585-V589 PolarHBondContact O-N 2.8Å; N585-V589 VanDerWaalsContact O-N 3.08Å; N585-L670 HydrophobicContact CB-CD1 4.06Å; N585-L670 HydrophobicContact CB-CD2 3.81Å
586I83.1Confident84.8Confident80 Ų8049.6 Ų49.641%0.4124%0.237SC..Hα-helixtrans-52.8-40.2-164.8-168.5173.8000114.7L582 M583 R588 V589 A590L582-I586 WeakPolarHBondContact O-CA 2.91Å; L582-I586 PolarHBondContact O-N 3.39Å; M583-I586 HydrophobicContact CE-CD1 4.4Å; M583-I586 PolarHBondContact O-N 2.75Å; M583-I586 HydrophobicContact SD-CD1 3.78Å; M583-I586 HydrophobicContact SD-CG1 4.48Å; I586-R588 VanDerWaalsContact C-N 3.34Å; I586-R588 PolarHBondContact O-N 3.3Å; I586-V589 PolarHBondContact O-N 3.14Å; I586-A590 VanDerWaalsContact O-CB 3.32Å; I586-A590 WeakPolarHBondContact O-CB 3.25Å; I586-A590 PolarHBondContact O-N 3.4Å
587I78Confident84.4Confident106 Ų10645.7 Ų45.754%0.54423%0.229SC..Hα-helixtrans-64.6-40.5-179.9-59.6174.5000110.8N585 V591N585-I587 VanDerWaalsContact C-N 3.31Å; N585-I587 PolarHBondContact O-N 3.5Å; N585-I587 VanDerWaalsContact O-N 3.07Å; I587-V591 VanDerWaalsContact O-CG2 3.28Å; I587-V591 WeakPolarHBondContact O-CG2 3.49Å; I587-V591 PolarHBondContact O-N 2.93Å
588R78.8Confident84Confident100 Ų10046.3 Ų46.338%0.37723%0.229SC..Hα-helixtrans-69.2-42.7178.6-64.1-177.8-177.4-170.71.6110.3N585 I586 L592 F666N585-R588 WeakPolarHBondContact O-CB 3.46Å; N585-R588 PolarHBondContact O-N 3.48Å; I586-R588 VanDerWaalsContact C-N 3.34Å; I586-R588 PolarHBondContact O-N 3.3Å; R588-L592 WeakPolarHBondContact O-CB 3.31Å; R588-L592 PolarHBondContact O-N 2.84Å; R588-L592 VanDerWaalsContact O-N 3.14Å; R588-F666 HydrophobicContact CB-CZ 4.43Å
589V81Confident83.5Confident16 Ų1646.7 Ų46.710%0.09723%0.231CC..Hα-helixtrans-61.3-57.5179178.60000110.5L582 N585 I586 V591 L592 D593 F666 L670L582-V589 HydrophobicContact CB-CG2 4.22Å; L582-V589 HydrophobicContact CD2-CB 4.4Å; L582-V589 HydrophobicContact CD2-CG1 3.88Å; L582-V589 HydrophobicContact CD2-CG2 3.56Å; N585-V589 HydrophobicContact CB-CG2 4.26Å; N585-V589 WeakPolarHBondContact O-CG2 3.36Å; N585-V589 PolarHBondContact O-N 2.8Å; N585-V589 VanDerWaalsContact O-N 3.08Å; I586-V589 PolarHBondContact O-N 3.14Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 3.21Å; V589-L592 PolarHBondContact O-N 2.9Å; V589-D593 WeakPolarHBondContact O-CB 3.37Å; V589-D593 PolarHBondContact O-N 3.31Å; V589-F666 HydrophobicContact CB-CE1 4.08Å; V589-F666 HydrophobicContact CB-CZ 4.38Å; V589-F666 HydrophobicContact CG1-CE1 4.27Å; V589-F666 HydrophobicContact CG2-CE1 3.7Å; V589-F666 HydrophobicContact CG2-CZ 3.91Å; V589-L670 HydrophobicContact CG2-CD1 4.02Å
590A77.4Confident83.2Confident50 Ų5044.9 Ų44.941%0.41322%0.223SC..Hα-helixtrans-61.6-40.7-173.300000112.5I586 K594I586-A590 VanDerWaalsContact O-CB 3.32Å; I586-A590 WeakPolarHBondContact O-CB 3.25Å; I586-A590 PolarHBondContact O-N 3.4Å; A590-K594 WeakPolarHBondContact O-CG 3.48Å; A590-K594 PolarHBondContact O-N 3.49Å
591V74.8Confident83Confident32 Ų3246.3 Ų46.319%0.19423%0.232CC..Hα-helixtrans-71.9-41.7179.7178.50000111.6L334 R337 I587 V589 V595L334-V591 HydrophobicContact CD2-CG1 3.73Å; R337-V591 HydrophobicContact CB-CG1 3.46Å; R337-V591 VanDerWaalsContact CB-CG1 3.46Å; R337-V591 HydrophobicContact CG-CB 4.48Å; R337-V591 HydrophobicContact CG-CG1 3.65Å; I587-V591 VanDerWaalsContact O-CG2 3.28Å; I587-V591 WeakPolarHBondContact O-CG2 3.49Å; I587-V591 PolarHBondContact O-N 2.93Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 3.21Å; V591-V595 HydrophobicContact CG1-CG2 4.31Å; V591-V595 VanDerWaalsContact O-CG2 3.27Å; V591-V595 WeakPolarHBondContact O-CG2 3.2Å; V591-V595 PolarHBondContact O-N 2.7Å; V591-V595 VanDerWaalsContact O-N 3.07Å
592L79.4Confident82.8Confident12 Ų1246.7 Ų46.76%0.06323%0.234CC..Hα-helixtrans-64.7-48.9-178.6-178154.4000111.3L344 R588 V589 K594 V595 T596 V662 F666L344-L592 HydrophobicContact CD1-CD1 3.19Å; L344-L592 HydrophobicContact CD1-CG 4.26Å; R588-L592 WeakPolarHBondContact O-CB 3.31Å; R588-L592 PolarHBondContact O-N 2.84Å; R588-L592 VanDerWaalsContact O-N 3.14Å; V589-L592 PolarHBondContact O-N 2.9Å; L592-K594 VanDerWaalsContact C-N 3.32Å; L592-K594 PolarHBondContact O-N 2.03Å; L592-V595 PolarHBondContact O-N 2.89Å; L592-V595 VanDerWaalsContact O-N 3.16Å; L592-T596 HydrophobicContact CD2-CG2 4.03Å; L592-T596 HydrophobicContact CG-CG2 4.44Å; L592-T596 WeakPolarHBondContact O-CG2 2.93Å; L592-T596 PolarHBondContact O-N 2.96Å; L592-T596 PolarHBondContact O-OG1 3.42Å; L592-V662 HydrophobicContact CD2-CG1 4.31Å; L592-F666 HydrophobicContact CD1-CD2 3.42Å; L592-F666 VanDerWaalsContact CD1-CD2 3.42Å; L592-F666 HydrophobicContact CD1-CE2 3.44Å; L592-F666 VanDerWaalsContact CD1-CE2 3.44Å; L592-F666 HydrophobicContact CD1-CG 4.01Å; L592-F666 HydrophobicContact CD1-CZ 4.02Å; L592-F666 HydrophobicContact CD2-CD1 4.31Å; L592-F666 HydrophobicContact CD2-CD2 4.45Å; L592-F666 HydrophobicContact CD2-CG 4.21Å
593D80.4Confident82.7Confident42 Ų4246.3 Ų46.323%0.22523%0.232CC..Hα-helixtrans-53.8-48.3178.3-176.265.1000111.2V589 V595 T596 D597V589-D593 WeakPolarHBondContact O-CB 3.37Å; V589-D593 PolarHBondContact O-N 3.31Å; D593-V595 PolarHBondContact O-N 3.45Å; D593-T596 WeakPolarHBondContact CA-OG1 3.39Å; D593-T596 PolarHBondContact O-N 2.94Å; D593-T596 PolarHBondContact O-OG1 3.22Å; D593-D597 WeakPolarHBondContact O-CB 3.22Å; D593-D597 PolarHBondContact O-N 2.82Å
594K81.7Confident82.9Confident141 Ų14145.4 Ų45.461%0.61323%0.227SC*.Hα-helixtrans-64.8-40.1178.5-65.3-65.3174.5-170.20113.5A590 L592 F598A590-K594 WeakPolarHBondContact O-CG 3.48Å; A590-K594 PolarHBondContact O-N 3.49Å; L592-K594 VanDerWaalsContact C-N 3.32Å; L592-K594 PolarHBondContact O-N 2.03Å; K594-F598 WeakPolarHBondContact O-CB 3.3Å; K594-F598 PolarHBondContact O-N 3.02Å; K594-F598 VanDerWaalsContact O-N 3.08Å
595V82.4Confident83Confident8 Ų848.1 Ų48.15%0.04824%0.244CC..Hα-helixtrans-68.7-44.6178.1171.10000110.5L334 I338 A341 V591 L592 D593 F598 L599L334-V595 HydrophobicContact CD1-CG2 4Å; I338-V595 HydrophobicContact CG1-CG1 3.96Å; I338-V595 HydrophobicContact CG1-CG2 4.18Å; A341-V595 HydrophobicContact CB-CB 4.27Å; A341-V595 HydrophobicContact CB-CG1 3.6Å; V591-V595 HydrophobicContact CG1-CG2 4.31Å; V591-V595 VanDerWaalsContact O-CG2 3.27Å; V591-V595 WeakPolarHBondContact O-CG2 3.2Å; V591-V595 PolarHBondContact O-N 2.7Å; V591-V595 VanDerWaalsContact O-N 3.07Å; L592-V595 PolarHBondContact O-N 2.89Å; L592-V595 VanDerWaalsContact O-N 3.16Å; D593-V595 PolarHBondContact O-N 3.45Å; V595-F598 PolarHBondContact O-N 3.28Å; V595-L599 HydrophobicContact CG1-CD1 3.99Å; V595-L599 HydrophobicContact CG1-CG 4.37Å; V595-L599 VanDerWaalsContact O-CG 3.29Å; V595-L599 WeakPolarHBondContact O-CG 3.34Å; V595-L599 PolarHBondContact O-N 3.06Å
596T84Confident83.2Confident2 Ų249 Ų491%0.01225%0.248CC..Hα-helixtrans-65-41.7179.848.80000111.5A341 I345 L592 D593 F598 L599 F600 V662A341-T596 HydrophobicContact CB-CG2 4.25Å; I345-T596 HydrophobicContact CD1-CG2 4.37Å; I345-T596 HydrophobicContact CG1-CG2 4.5Å; L592-T596 HydrophobicContact CD2-CG2 4.03Å; L592-T596 HydrophobicContact CG-CG2 4.44Å; L592-T596 WeakPolarHBondContact O-CG2 2.93Å; L592-T596 PolarHBondContact O-N 2.96Å; L592-T596 PolarHBondContact O-OG1 3.42Å; D593-T596 WeakPolarHBondContact CA-OG1 3.39Å; D593-T596 PolarHBondContact O-N 2.94Å; D593-T596 PolarHBondContact O-OG1 3.22Å; T596-F598 PolarHBondContact O-N 3.39Å; T596-L599 PolarHBondContact O-N 2.82Å; T596-F600 VanDerWaalsContact O-CD2 3.3Å; T596-F600 WeakPolarHBondContact O-CD2 3.34Å; T596-F600 VanDerWaalsContact O-CG 3.24Å; T596-F600 WeakPolarHBondContact O-CG 3.42Å; T596-F600 PolarHBondContact O-N 3.34Å; T596-V662 HydrophobicContact CG2-CG1 3.95Å
597D85.1Confident83.6Confident80 Ų8045.3 Ų45.343%0.42823%0.229SC..Hα-helixtrans-61.1-44175.1-85.8-6.5000112D593 F600 L601D593-D597 WeakPolarHBondContact O-CB 3.22Å; D593-D597 PolarHBondContact O-N 2.82Å; D597-F600 PolarHBondContact O-N 2.03Å; D597-L601 WeakPolarHBondContact O-CB 3.09Å; D597-L601 PolarHBondContact O-N 3.11Å
598F83.3Confident84.4Confident74 Ų7441 Ų4133%0.32521%0.208SC..Hα-helixtrans-61.3-45.9176175.2-103.3000112K594 V595 T596 F600 L601 L602K594-F598 WeakPolarHBondContact O-CB 3.3Å; K594-F598 PolarHBondContact O-N 3.02Å; K594-F598 VanDerWaalsContact O-N 3.08Å; V595-F598 PolarHBondContact O-N 3.28Å; T596-F598 PolarHBondContact O-N 3.39Å; F598-F600 PolarHBondContact O-N 3.38Å; F598-L601 WeakPolarHBondContact O-CB 3.05Å; F598-L601 PolarHBondContact O-N 3.13Å; F598-L602 PolarHBondContact O-N 3.07Å
599L82.9Confident84.9Confident8 Ų837.8 Ų37.84%0.04221%0.206CC..Hα-helixtrans-65.1-39.9178.9-67.9176.8000112.2V259 I345 V595 T596 L602 G603V259-L599 HydrophobicContact CB-CD2 4.46Å; V259-L599 HydrophobicContact CG1-CD1 4.19Å; V259-L599 HydrophobicContact CG1-CD2 3.63Å; V259-L599 HydrophobicContact CG2-CD1 4.1Å; V259-L599 HydrophobicContact CG2-CD2 4.18Å; I345-L599 HydrophobicContact CD1-CD1 3.6Å; V595-L599 HydrophobicContact CG1-CD1 3.99Å; V595-L599 HydrophobicContact CG1-CG 4.37Å; V595-L599 VanDerWaalsContact O-CG 3.29Å; V595-L599 WeakPolarHBondContact O-CG 3.34Å; V595-L599 PolarHBondContact O-N 3.06Å; T596-L599 PolarHBondContact O-N 2.82Å; L599-L602 PolarHBondContact O-N 2.76Å; L599-G603 PolarHBondContact O-N 3.08Å
600F87.6Confident85.4Confident11 Ų1139.3 Ų39.35%0.04822%0.217CC..Hα-helixtrans-70-34.9175.3-62.1-25.6000112.4I345 T596 D597 F598 L602 G603 K604 F655 Y658 V662I345-F600 HydrophobicContact CD1-CE1 4.47Å; T596-F600 VanDerWaalsContact O-CD2 3.3Å; T596-F600 WeakPolarHBondContact O-CD2 3.34Å; T596-F600 VanDerWaalsContact O-CG 3.24Å; T596-F600 WeakPolarHBondContact O-CG 3.42Å; T596-F600 PolarHBondContact O-N 3.34Å; D597-F600 PolarHBondContact O-N 2.03Å; F598-F600 PolarHBondContact O-N 3.38Å; F600-L602 VanDerWaalsContact C-N 3.33Å; F600-G603 PolarHBondContact O-N 3.26Å; F600-K604 WeakPolarHBondContact O-CD 3.42Å; F600-K604 WeakPolarHBondContact O-CG 3.47Å; F600-K604 PolarHBondContact O-N 3.47Å; F600-F655 HydrophobicContact CB-CB 4.49Å; F600-F655 HydrophobicContact CB-CD1 3.84Å; F600-F655 HydrophobicContact CB-CE1 4.39Å; F600-F655 HydrophobicContact CB-CG 4.32Å; F600-F655 AromaticContact CD1-CD1 3.52Å; F600-F655 HydrophobicContact CD1-CD1 3.52Å; F600-F655 AromaticContact CD1-CE1 3.84Å; F600-F655 HydrophobicContact CD1-CE1 3.84Å; F600-F655 HydrophobicContact CE1-CD1 4.32Å; F600-F655 AromaticContact CG-CD1 3.81Å; F600-F655 HydrophobicContact CG-CD1 3.81Å; F600-F655 HydrophobicContact CG-CE1 4.44Å; F600-Y658 AromaticContact CE1-CD1 3.55Å; F600-Y658 HydrophobicContact CE1-CD1 3.55Å; F600-Y658 AromaticContact CE1-CE1 3.95Å; F600-Y658 HydrophobicContact CE1-CE1 3.95Å; F600-Y658 HydrophobicContact CE1-CG 4.39Å; F600-Y658 HydrophobicContact CE2-CD1 4.46Å; F600-Y658 AromaticContact CZ-CD1 3.41Å; F600-Y658 HydrophobicContact CZ-CD1 3.41Å; F600-Y658 VanDerWaalsContact CZ-CD1 3.41Å; F600-Y658 HydrophobicContact CZ-CE1 4Å; F600-Y658 HydrophobicContact CZ-CG 4.4Å; F600-V662 HydrophobicContact CZ-CG2 4.06Å
601L87.4Confident86.1Confident79 Ų7937.1 Ų37.141%0.41420%0.199SC..Hα-helixtrans-59.7-47.3172.1177.164.6000110.5D597 F598 K604 L605D597-L601 WeakPolarHBondContact O-CB 3.09Å; D597-L601 PolarHBondContact O-N 3.11Å; F598-L601 WeakPolarHBondContact O-CB 3.05Å; F598-L601 PolarHBondContact O-N 3.13Å; L601-K604 WeakPolarHBondContact O-CB 3.17Å; L601-K604 PolarHBondContact O-N 3.28Å; L601-L605 HydrophobicContact CD1-CD1 4.42Å; L601-L605 HydrophobicContact CD1-CG 4.38Å; L601-L605 HydrophobicContact CG-CD1 4.23Å; L601-L605 WeakPolarHBondContact O-CG 3.23Å; L601-L605 PolarHBondContact O-N 2.77Å
602L84Confident86.9Confident12 Ų1236 Ų366%0.06319%0.194CC..Hα-helixtrans-63.4-43.5-180-177.148.6000112.3M262 V266 F598 L599 F600 K604 L605 L606M262-L602 HydrophobicContact CB-CD2 3.55Å; M262-L602 HydrophobicContact CB-CG 3.97Å; M262-L602 HydrophobicContact CG-CG 4.46Å; M262-L602 HydrophobicContact SD-CG 4.28Å; V266-L602 HydrophobicContact CG2-CD1 3.18Å; V266-L602 HydrophobicContact CG2-CD2 3.55Å; V266-L602 HydrophobicContact CG2-CG 3.99Å; F598-L602 PolarHBondContact O-N 3.07Å; L599-L602 PolarHBondContact O-N 2.76Å; F600-L602 VanDerWaalsContact C-N 3.33Å; L602-K604 VanDerWaalsContact C-N 3.33Å; L602-K604 PolarHBondContact O-N 2.05Å; L602-L605 PolarHBondContact O-N 3.49Å; L602-L606 WeakPolarHBondContact O-CB 3.36Å; L602-L606 PolarHBondContact O-N 3.35Å
603G88.1Confident87.4Confident0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-59-41.9173.400000113L599 F600 L606 I607L599-G603 PolarHBondContact O-N 3.08Å; F600-G603 PolarHBondContact O-N 3.26Å; G603-L606 PolarHBondContact O-N 3.19Å; G603-I607 WeakPolarHBondContact O-CD1 3.06Å; G603-I607 WeakPolarHBondContact O-CG1 3.12Å; G603-I607 PolarHBondContact O-N 3.22Å; G603-I607 VanDerWaalsContact O-N 3.14Å
604K91.3Very high87.9Confident29 Ų2942.4 Ų42.413%0.12623%0.227CC..Hα-helixtrans-62.1-47.6174.6-68.8163.7-166.8174.40111.4F600 L601 L602 L606 I607 V608 A651 F655F600-K604 WeakPolarHBondContact O-CD 3.42Å; F600-K604 WeakPolarHBondContact O-CG 3.47Å; F600-K604 PolarHBondContact O-N 3.47Å; L601-K604 WeakPolarHBondContact O-CB 3.17Å; L601-K604 PolarHBondContact O-N 3.28Å; L602-K604 VanDerWaalsContact C-N 3.33Å; L602-K604 PolarHBondContact O-N 2.05Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.05Å; K604-I607 PolarHBondContact O-N 3.08Å; K604-V608 WeakPolarHBondContact O-CB 3.06Å; K604-V608 WeakPolarHBondContact O-CG2 3.41Å; K604-V608 PolarHBondContact O-N 2.97Å; K604-A651 HydrophobicContact CG-CB 4.22Å; K604-F655 HydrophobicContact CB-CE2 4.49Å; K604-F655 HydrophobicContact CD-CD2 4.27Å; K604-F655 VanDerWaalsContact CE-CB 3.41Å; K604-F655 HydrophobicContact CG-CD2 3.38Å; K604-F655 HydrophobicContact CG-CE2 3.74Å; K604-F655 HydrophobicContact CG-CG 4.14Å
605L89.3Confident88.3Confident96 Ų9636.2 Ų36.250%0.50320%0.201SC..Hα-helixtrans-63.3-38179.9-69.8177.6000112.2L601 L602 G609L601-L605 HydrophobicContact CD1-CD1 4.42Å; L601-L605 HydrophobicContact CD1-CG 4.38Å; L601-L605 HydrophobicContact CG-CD1 4.23Å; L601-L605 WeakPolarHBondContact O-CG 3.23Å; L601-L605 PolarHBondContact O-N 2.77Å; L602-L605 PolarHBondContact O-N 3.49Å; L605-G609 WeakPolarHBondContact O-CA 3.38Å; L605-G609 PolarHBondContact O-N 3.39Å
606L88.2Confident88.6Confident52 Ų5239.6 Ų39.627%0.27222%0.215SC..Hα-helixtrans-64.4-45.7177-175.7149.6000111.6F247 M262 L602 G603 K604 S610F247-L606 HydrophobicContact CD2-CD2 4.47Å; F247-L606 HydrophobicContact CE2-CD2 4.44Å; M262-L606 HydrophobicContact CG-CD1 4.22Å; L602-L606 WeakPolarHBondContact O-CB 3.36Å; L602-L606 PolarHBondContact O-N 3.35Å; G603-L606 PolarHBondContact O-N 3.19Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.05Å; L606-S610 VanDerWaalsContact O-CB 3.25Å; L606-S610 WeakPolarHBondContact O-CB 3.44Å; L606-S610 PolarHBondContact O-N 2.84Å; L606-S610 PolarHBondContact O-OG 3.41Å
607I91.7Very high88.8Confident2 Ų243.6 Ų43.61%0.0123%0.233CC..Hα-helixtrans-63.2-52177.2-69.2162000110M243 F247 G603 K604 G609 S610 V611 A651 F655M243-I607 HydrophobicContact CE-CG2 4.26Å; F247-I607 HydrophobicContact CB-CD1 4.05Å; F247-I607 HydrophobicContact CB-CG1 4.48Å; F247-I607 HydrophobicContact CD1-CD1 4.36Å; F247-I607 HydrophobicContact CG-CD1 4.08Å; G603-I607 WeakPolarHBondContact O-CD1 3.06Å; G603-I607 WeakPolarHBondContact O-CG1 3.12Å; G603-I607 PolarHBondContact O-N 3.22Å; G603-I607 VanDerWaalsContact O-N 3.14Å; K604-I607 PolarHBondContact O-N 3.08Å; I607-G609 PolarHBondContact O-N 3.26Å; I607-S610 PolarHBondContact O-N 3.13Å; I607-V611 WeakPolarHBondContact O-CG2 3.49Å; I607-V611 PolarHBondContact O-N 2.83Å; I607-A651 HydrophobicContact CD1-CB 4.4Å; I607-A651 HydrophobicContact CG2-CB 4.32Å; I607-F655 HydrophobicContact CD1-CE2 3.84Å; I607-F655 HydrophobicContact CD1-CZ 4.33Å
608V94.1Very high88.9Confident15 Ų1541.3 Ų41.39%0.09122%0.219CC..Hα-helixtrans-63.6-42.6-177.6174.80000111.6K604 G612 I644 Y648K604-V608 WeakPolarHBondContact O-CB 3.06Å; K604-V608 WeakPolarHBondContact O-CG2 3.41Å; K604-V608 PolarHBondContact O-N 2.97Å; V608-G612 WeakPolarHBondContact O-CA 3.44Å; V608-G612 PolarHBondContact O-N 3.21Å; V608-I644 HydrophobicContact CG1-CB 4.44Å; V608-I644 HydrophobicContact CG1-CG2 3.68Å; V608-Y648 VanDerWaalsContact CG2-CA 3.42Å; V608-Y648 HydrophobicContact CG2-CD2 4.2Å; V608-Y648 HydrophobicContact CG2-CG 4.48Å
609G89.7Confident89Confident33 Ų3338.3 Ų38.334%0.3421%0.206SC..Hα-helixtrans-63.1-44.7176.600000111.8L605 I607 G612 I613L605-G609 WeakPolarHBondContact O-CA 3.38Å; L605-G609 PolarHBondContact O-N 3.39Å; I607-G609 PolarHBondContact O-N 3.26Å; G609-G612 PolarHBondContact O-N 3.26Å; G609-I613 WeakPolarHBondContact O-CB 3.14Å; G609-I613 WeakPolarHBondContact O-CD1 3.39Å; G609-I613 WeakPolarHBondContact O-CG1 3.49Å; G609-I613 PolarHBondContact O-N 3.4Å
610S90.3Very high89Confident48 Ų4839.4 Ų39.434%0.33621%0.213SC..Hα-helixtrans-63.7-46.4178.6-58.60000111.9L606 I607 L614L606-S610 VanDerWaalsContact O-CB 3.25Å; L606-S610 WeakPolarHBondContact O-CB 3.44Å; L606-S610 PolarHBondContact O-N 2.84Å; L606-S610 PolarHBondContact O-OG 3.41Å; I607-S610 PolarHBondContact O-N 3.13Å; S610-L614 WeakPolarHBondContact O-CG 3.44Å; S610-L614 PolarHBondContact O-N 3Å; S610-L614 VanDerWaalsContact O-N 3.13Å
611V93.4Very high88.7Confident4 Ų442.1 Ų42.12%0.02423%0.226CC..Hα-helixtrans-66.5-40.2175.7-176.70000111.2A240 M243 I607 I613 L614 A615 V643 S647A240-V611 HydrophobicContact CB-CG1 4.36Å; A240-V611 HydrophobicContact CB-CG2 3.85Å; M243-V611 HydrophobicContact CE-CG2 3.42Å; M243-V611 VanDerWaalsContact CE-CG2 3.42Å; M243-V611 HydrophobicContact SD-CG2 3.71Å; I607-V611 WeakPolarHBondContact O-CG2 3.49Å; I607-V611 PolarHBondContact O-N 2.83Å; V611-I613 PolarHBondContact O-N 2.89Å; V611-L614 PolarHBondContact O-N 3.28Å; V611-A615 WeakPolarHBondContact O-CB 3.12Å; V611-A615 PolarHBondContact O-N 2.99Å; V611-V643 HydrophobicContact CG1-CG1 3.54Å; V611-S647 WeakPolarHBondContact CG1-OG 3.45Å
612G90.9Very high88.3Confident8 Ų846.5 Ų46.58%0.08224%0.237CC..Hα-helixtrans-63-40.6178.600000112.9V608 G609 A615 F616V608-G612 WeakPolarHBondContact O-CA 3.44Å; V608-G612 PolarHBondContact O-N 3.21Å; G609-G612 PolarHBondContact O-N 3.26Å; G612-A615 PolarHBondContact O-N 3.1Å; G612-F616 WeakPolarHBondContact O-CB 3.43Å; G612-F616 PolarHBondContact O-N 3.22Å
613I90.1Very high87.8Confident96 Ų9648.6 Ų48.649%0.49225%0.248SC..Hα-helixtrans-63.3-47.2173.9-71.3166000110.3G609 V611 A615 F616 F617G609-I613 WeakPolarHBondContact O-CB 3.14Å; G609-I613 WeakPolarHBondContact O-CD1 3.39Å; G609-I613 WeakPolarHBondContact O-CG1 3.49Å; G609-I613 PolarHBondContact O-N 3.4Å; V611-I613 PolarHBondContact O-N 2.89Å; I613-A615 VanDerWaalsContact C-N 3.34Å; I613-A615 PolarHBondContact O-N 2.77Å; I613-F616 PolarHBondContact O-N 2.93Å; I613-F617 HydrophobicContact CG2-CD2 3.57Å; I613-F617 HydrophobicContact CG2-CE2 3.45Å; I613-F617 VanDerWaalsContact CG2-CE2 3.45Å; I613-F617 WeakPolarHBondContact O-CD2 3.36Å; I613-F617 PolarHBondContact O-N 3.43Å
614L89.9Confident86.6Confident93 Ų9359.5 Ų59.549%0.48729%0.289SS..Hα-helixtrans-59.6-44.6176.4-70.3171.2000111.6S610 V611 F617 F618S610-L614 WeakPolarHBondContact O-CG 3.44Å; S610-L614 PolarHBondContact O-N 3Å; S610-L614 VanDerWaalsContact O-N 3.13Å; V611-L614 PolarHBondContact O-N 3.28Å; L614-F617 PolarHBondContact O-N 3.31Å; L614-F618 WeakPolarHBondContact O-CB 3.48Å; L614-F618 PolarHBondContact O-N 3.3Å
615A90.3Very high85.3Confident10 Ų1065.8 Ų65.88%0.08332%0.322CS..Hα-helixtrans-62.4-42.8176.300000111.7V611 G612 I613 F618 F619 I640 V643V611-A615 WeakPolarHBondContact O-CB 3.12Å; V611-A615 PolarHBondContact O-N 2.99Å; G612-A615 PolarHBondContact O-N 3.1Å; I613-A615 VanDerWaalsContact C-N 3.34Å; I613-A615 PolarHBondContact O-N 2.77Å; A615-F618 PolarHBondContact O-N 2.89Å; A615-F619 HydrophobicContact CB-CD2 4.33Å; A615-F619 HydrophobicContact CB-CE2 4.46Å; A615-F619 WeakPolarHBondContact O-CD2 3.44Å; A615-F619 PolarHBondContact O-N 3.44Å; A615-I640 HydrophobicContact CB-CG1 4.47Å; A615-I640 HydrophobicContact CB-CG2 4.47Å; A615-V643 HydrophobicContact CB-CB 4.39Å; A615-V643 HydrophobicContact CB-CG1 4.11Å
616F89.1Confident84.1Confident79 Ų7963.2 Ų63.235%0.34631%0.31SS..Hα-helixtrans-60.3-49.9176.4175.9-94.6000111.8G612 I613 F618 T620 Y636 I640G612-F616 WeakPolarHBondContact O-CB 3.43Å; G612-F616 PolarHBondContact O-N 3.22Å; I613-F616 PolarHBondContact O-N 2.93Å; F616-F618 VanDerWaalsContact C-N 3.26Å; F616-F618 PolarHBondContact O-N 2.88Å; F616-T620 HydrophobicContact CD2-CG2 4.02Å; F616-T620 HydrophobicContact CE1-CG2 4.42Å; F616-T620 HydrophobicContact CE2-CG2 3.76Å; F616-T620 HydrophobicContact CG-CG2 4.46Å; F616-T620 HydrophobicContact CZ-CG2 3.98Å; F616-T620 WeakPolarHBondContact O-CB 3.46Å; F616-T620 VanDerWaalsContact O-CG2 3.3Å; F616-T620 WeakPolarHBondContact O-CG2 3.25Å; F616-T620 PolarHBondContact O-N 3.32Å; F616-T620 VanDerWaalsContact O-N 3.08Å; F616-T620 PolarHBondContact O-OG1 2.96Å; F616-Y636 HydrophobicContact CE2-CE2 4.48Å; F616-I640 HydrophobicContact CB-CD1 4.31Å; F616-I640 HydrophobicContact CD2-CD1 4.06Å
617F87.9Confident83Confident86 Ų8665.6 Ų65.638%0.37732%0.32SS..Hα-helixtrans-62.9-34.2179.1-80.1-66.2000112.6I613 L614 R622 I623I613-F617 HydrophobicContact CG2-CD2 3.57Å; I613-F617 HydrophobicContact CG2-CE2 3.45Å; I613-F617 VanDerWaalsContact CG2-CE2 3.45Å; I613-F617 WeakPolarHBondContact O-CD2 3.36Å; I613-F617 PolarHBondContact O-N 3.43Å; L614-F617 PolarHBondContact O-N 3.31Å; F617-R622 HydrophobicContact CD1-CB 3.85Å; F617-R622 PolarHBondContact O-N 3.44Å; F617-R622 VanDerWaalsContact O-N 3.16Å; F617-I623 HydrophobicContact CB-CD1 3.86Å; F617-I623 HydrophobicContact CB-CG1 3.8Å
618F86.8Confident81.7Confident33 Ų3373.4 Ų73.415%0.14536%0.362CS..Hα-helixtrans-69.6-55.5176.5179.4-94.6000112.5W232 L614 A615 F616 T620 H621 I623 V626 A630W232-F618 HydrophobicContact CB-CE1 4.22Å; W232-F618 AromaticContact CD2-CE1 3.81Å; W232-F618 HydrophobicContact CD2-CE1 3.81Å; W232-F618 HydrophobicContact CD2-CE2 4.44Å; W232-F618 AromaticContact CD2-CZ 3.41Å; W232-F618 HydrophobicContact CD2-CZ 3.41Å; W232-F618 VanDerWaalsContact CD2-CZ 3.41Å; W232-F618 AromaticContact CE2-CZ 3.62Å; W232-F618 HydrophobicContact CE3-CE1 4.05Å; W232-F618 HydrophobicContact CE3-CE2 4.07Å; W232-F618 AromaticContact CE3-CZ 3.43Å; W232-F618 HydrophobicContact CE3-CZ 3.43Å; W232-F618 VanDerWaalsContact CE3-CZ 3.43Å; W232-F618 AromaticContact CG-CE1 3.9Å; W232-F618 HydrophobicContact CG-CE1 3.9Å; W232-F618 AromaticContact CG-CZ 4Å; W232-F618 HydrophobicContact CG-CZ 4Å; W232-F618 HydrophobicContact CH2-CE2 4.23Å; W232-F618 AromaticContact CH2-CZ 3.93Å; W232-F618 HydrophobicContact CH2-CZ 3.93Å; W232-F618 AromaticContact CZ2-CZ 3.9Å; W232-F618 HydrophobicContact CZ2-CZ 3.9Å; W232-F618 AromaticContact CZ3-CE2 3.96Å; W232-F618 HydrophobicContact CZ3-CE2 3.96Å; W232-F618 AromaticContact CZ3-CZ 3.7Å; W232-F618 HydrophobicContact CZ3-CZ 3.7Å; L614-F618 WeakPolarHBondContact O-CB 3.48Å; L614-F618 PolarHBondContact O-N 3.3Å; A615-F618 PolarHBondContact O-N 2.89Å; F616-F618 VanDerWaalsContact C-N 3.26Å; F616-F618 PolarHBondContact O-N 2.88Å; F618-T620 PolarHBondContact O-N 2.78Å; F618-H621 PolarHBondContact O-N 3.36Å; F618-I623 HydrophobicContact CB-CD1 4.41Å; F618-V626 HydrophobicContact CD2-CG1 3.97Å; F618-V626 HydrophobicContact CE2-CG1 3.48Å; F618-V626 VanDerWaalsContact CE2-CG1 3.48Å; F618-A630 HydrophobicContact CE1-CB 4.34Å; F618-A630 HydrophobicContact CZ-CB 4.24Å
619F85.2Confident80.7Confident10 Ų1076 Ų764%0.04438%0.378CS..Hα-helixtrans-74.2-8.8-176.7-72.2-66.4000114.4W232 A615 L633 P639 I640W232-F619 HydrophobicContact CB-CE1 4.38Å; W232-F619 HydrophobicContact CB-CZ 4.11Å; A615-F619 HydrophobicContact CB-CD2 4.33Å; A615-F619 HydrophobicContact CB-CE2 4.46Å; A615-F619 WeakPolarHBondContact O-CD2 3.44Å; A615-F619 PolarHBondContact O-N 3.44Å; F619-L633 HydrophobicContact CD1-CD1 3.59Å; F619-L633 HydrophobicContact CE1-CD1 4.11Å; F619-L633 HydrophobicContact CG-CD1 4.4Å; F619-P639 HydrophobicContact CD1-CB 4.35Å; F619-P639 HydrophobicContact CD2-CB 4.29Å; F619-P639 HydrophobicContact CE1-CB 3.88Å; F619-P639 HydrophobicContact CE1-CG 4.46Å; F619-P639 HydrophobicContact CE2-CB 3.83Å; F619-P639 HydrophobicContact CZ-CB 3.61Å; F619-I640 HydrophobicContact CB-CD1 4.1Å; F619-I640 HydrophobicContact CB-CG1 4.01Å; F619-I640 HydrophobicContact CD2-CG1 3.64Å; F619-I640 HydrophobicContact CG-CG1 4.19Å
620T84.4Confident79.8Confident32 Ų3274.9 Ų74.920%0.19637%0.365CS..THydrogen-bonded Turntrans-102.510.6172.9600000113.6F616 F618 R622 Y636F616-T620 HydrophobicContact CD2-CG2 4.02Å; F616-T620 HydrophobicContact CE1-CG2 4.42Å; F616-T620 HydrophobicContact CE2-CG2 3.76Å; F616-T620 HydrophobicContact CG-CG2 4.46Å; F616-T620 HydrophobicContact CZ-CG2 3.98Å; F616-T620 WeakPolarHBondContact O-CB 3.46Å; F616-T620 VanDerWaalsContact O-CG2 3.3Å; F616-T620 WeakPolarHBondContact O-CG2 3.25Å; F616-T620 PolarHBondContact O-N 3.32Å; F616-T620 VanDerWaalsContact O-N 3.08Å; F616-T620 PolarHBondContact O-OG1 2.96Å; F618-T620 PolarHBondContact O-N 2.78Å; T620-R622 PolarHBondContact O-N 3.18Å; T620-R622 VanDerWaalsContact O-N 3.09Å; T620-Y636 HydrophobicContact CG2-CD2 3.97Å; T620-Y636 HydrophobicContact CG2-CE2 4.19Å
621H80.7Confident79.1Confident68 Ų6873.2 Ų73.232%0.31535%0.353SS..THydrogen-bonded Turntrans57.824.4176.8-58.372000114F618 Q627 A630F618-H621 PolarHBondContact O-N 3.36Å; H621-Q627 HydrophobicContact CB-CG 4.39Å; H621-Q627 PolarHBondContact CD2-O 3.38Å; H621-A630 WeakPolarHBondContact NE2-CB 3.38Å; H621-A630 PolarHBondContact NE2-O 3.43Å
622R78Confident78.3Confident171 Ų17178.6 Ų78.665%0.64539%0.388SS*.  trans-84.5-13.1-178.2-71.7-167.4-177.9-151.12.5113.5F617 T620F617-R622 HydrophobicContact CD1-CB 3.85Å; F617-R622 PolarHBondContact O-N 3.44Å; F617-R622 VanDerWaalsContact O-N 3.16Å; T620-R622 PolarHBondContact O-N 3.18Å; T620-R622 VanDerWaalsContact O-N 3.09Å
623I73.8Confident77.8Confident56 Ų5679.9 Ų79.929%0.28739%0.393SS..  trans-89106.1175.7-56.1175.5000109F617 F618 I625 V626 Q627F617-I623 HydrophobicContact CB-CD1 3.86Å; F617-I623 HydrophobicContact CB-CG1 3.8Å; F618-I623 HydrophobicContact CB-CD1 4.41Å; I623-I625 HydrophobicContact CG2-CB 4.21Å; I623-I625 PolarHBondContact O-N 3.15Å; I623-I625 VanDerWaalsContact O-N 3.09Å; I623-V626 HydrophobicContact CG2-CB 4.39Å; I623-V626 HydrophobicContact CG2-CG2 3.94Å; I623-V626 PolarHBondContact O-N 2.95Å; I623-V626 VanDerWaalsContact O-N 3.1Å; I623-Q627 PolarHBondContact O-N 2.94Å
624R63.1Low77.2Confident229 Ų22979.5 Ų79.586%0.86439%0.392SS*.THydrogen-bonded Turntrans-56.9-25.6-178.7-65-176.3-178.7-179.2-0.2114.5V626R624-V626 VanDerWaalsContact C-N 3.3Å; R624-V626 PolarHBondContact O-N 3.24Å
625I64.2Low76.8Confident161 Ų16178 Ų7883%0.82638%0.381SS*.THydrogen-bonded Turntrans-75.2-19.9-177.4-59.4170.3000112I623I623-I625 HydrophobicContact CG2-CB 4.21Å; I623-I625 PolarHBondContact O-N 3.15Å; I623-I625 VanDerWaalsContact O-N 3.09Å
626V64.2Low76.5Confident42 Ų4283.1 Ų83.126%0.25540%0.398SS..SBendtrans-131.810.5-164.2-162.50000111.8F618 I623 R624 D628 T629F618-V626 HydrophobicContact CD2-CG1 3.97Å; F618-V626 HydrophobicContact CE2-CG1 3.48Å; F618-V626 VanDerWaalsContact CE2-CG1 3.48Å; I623-V626 HydrophobicContact CG2-CB 4.39Å; I623-V626 HydrophobicContact CG2-CG2 3.94Å; I623-V626 PolarHBondContact O-N 2.95Å; I623-V626 VanDerWaalsContact O-N 3.1Å; R624-V626 VanDerWaalsContact C-N 3.3Å; R624-V626 PolarHBondContact O-N 3.24Å; V626-D628 VanDerWaalsContact C-N 3.3Å; V626-D628 PolarHBondContact O-N 3.48Å; V626-T629 WeakPolarHBondContact CG1-OG1 3.31Å; V626-T629 PolarHBondContact O-N 3.35Å; V626-T629 VanDerWaalsContact O-N 3.11Å; V626-T629 PolarHBondContact O-OG1 3.28Å
627Q64.7Low76.2Confident102 Ų10285 Ų8548%0.47740%0.403SS..THydrogen-bonded Turntrans-59.5-34.7-169.8-167.9167.8-12.900113.4H621 I623H621-Q627 HydrophobicContact CB-CG 4.39Å; H621-Q627 PolarHBondContact CD2-O 3.38Å; I623-Q627 PolarHBondContact O-N 2.94Å
628D64.8Low76Confident166 Ų16681.2 Ų81.289%0.88839%0.387SS*.THydrogen-bonded Turntrans-86.3-6.5-178.1-58.4-37.7000114.2V626V626-D628 VanDerWaalsContact C-N 3.3Å; V626-D628 PolarHBondContact O-N 3.48Å
629T72.3Confident76.1Confident70 Ų7079.7 Ų79.743%0.42938%0.38SS..THydrogen-bonded Turntrans-104.2-15.8-176.465.90000113.6W232 V626W232-T629 WeakPolarHBondContact CZ2-O 3.32Å; V626-T629 WeakPolarHBondContact CG1-OG1 3.31Å; V626-T629 PolarHBondContact O-N 3.35Å; V626-T629 VanDerWaalsContact O-N 3.11Å; V626-T629 PolarHBondContact O-OG1 3.28Å
630A71.5Confident76.3Confident9 Ų979.9 Ų79.97%0.07438%0.382CS..SBendtrans-79.2125.9179.100000110.4F618 H621F618-A630 HydrophobicContact CE1-CB 4.34Å; F618-A630 HydrophobicContact CZ-CB 4.24Å; H621-A630 WeakPolarHBondContact NE2-CB 3.38Å; H621-A630 PolarHBondContact NE2-O 3.43Å
631P75.4Confident76.6Confident12 Ų1282.4 Ų82.48%0.07839%0.394CS..PPolyproline II helixtrans-69.2147.7-174.827.1-33.6000111.8V228 L633V228-P631 HydrophobicContact CG1-CB 3.43Å; V228-P631 VanDerWaalsContact CG1-CB 3.43Å; V228-P631 HydrophobicContact CG1-CG 4.19Å; P631-L633 HydrophobicContact CG-CD2 4.38Å; P631-L633 HydrophobicContact CG-CG 4.47Å; P631-L633 PolarHBondContact O-N 3.22Å
632P77.3Confident77Confident118 Ų11881 Ų8177%0.76639%0.39SS*.PPolyproline II helixtrans-67.5130.4167.129.3-32.6000109.2
633L80.5Confident77.8Confident35 Ų3572.9 Ų72.918%0.18336%0.359CS..  trans-125.6145-176.7-63.8168.4000110.3D225 F619 P631 P639D225-L633 HydrophobicContact CB-CD2 3.95Å; F619-L633 HydrophobicContact CD1-CD1 3.59Å; F619-L633 HydrophobicContact CE1-CD1 4.11Å; F619-L633 HydrophobicContact CG-CD1 4.4Å; P631-L633 HydrophobicContact CG-CD2 4.38Å; P631-L633 HydrophobicContact CG-CG 4.47Å; P631-L633 PolarHBondContact O-N 3.22Å; L633-P639 HydrophobicContact CD1-CG 3.87Å; L633-P639 HydrophobicContact CD2-CG 4.49Å
634N77.1Confident78.7Confident88 Ų8872.9 Ų72.947%0.47136%0.359SS..SBendtrans-68-44.3171.7-63-83.9000110.3R221 D225R221-N634 HydrophobicContact CB-CB 4.31Å; D225-N634 WeakPolarHBondContact OD1-CB 3.48Å; D225-N634 PolarHBondContact OD1-N 3.2Å; D225-N634 PolarHBondContact OD1-ND2 3.13Å; D225-N634 PolarHBondContact OD2-N 3.02Å
635Y81.4Confident80.2Confident62 Ų6265.6 Ų65.624%0.24334%0.34CS..  trans-131.485.7-178.4-62-71000111L218 R221 D225 W637 V638 P639L218-Y635 HydrophobicContact CD1-CD2 4.16Å; L218-Y635 HydrophobicContact CD1-CE1 4.33Å; L218-Y635 HydrophobicContact CD1-CE2 3.62Å; R221-Y635 HydrophobicContact CB-CD2 4.11Å; R221-Y635 HydrophobicContact CB-CE2 3.71Å; R221-Y635 HydrophobicContact CG-CE2 4.38Å; R221-Y635 PolarHBondContact NH1-OH 3.16Å; D225-Y635 PolarHBondContact OD2-N 2.79Å; Y635-W637 AromaticContact CD1-NE1 3.54Å; Y635-W637 AromaticContact CG-NE1 3.86Å; Y635-W637 PolarHBondContact O-N 2.75Å; Y635-V638 WeakPolarHBondContact O-CB 3.5Å; Y635-V638 PolarHBondContact O-N 3.03Å; Y635-P639 WeakPolarHBondContact O-CD 3.49Å
636Y83.3Confident81.5Confident117 Ų11758.6 Ų58.646%0.45931%0.307SS..THydrogen-bonded Turntrans-53.9-27178.865.8-94.5000114.2F616 T620 V638 I640F616-Y636 HydrophobicContact CE2-CE2 4.48Å; T620-Y636 HydrophobicContact CG2-CD2 3.97Å; T620-Y636 HydrophobicContact CG2-CE2 4.19Å; Y636-V638 VanDerWaalsContact C-N 3.26Å; Y636-V638 PolarHBondContact O-N 3.07Å; Y636-I640 HydrophobicContact CD2-CD1 3.89Å; Y636-I640 VanDerWaalsContact O-CD1 3.27Å; Y636-I640 WeakPolarHBondContact O-CD1 3.32Å; Y636-I640 VanDerWaalsContact O-CG1 3.3Å; Y636-I640 WeakPolarHBondContact O-CG1 3.47Å
637W83.6Confident82.9Confident119 Ų11956.6 Ų56.645%0.45130%0.295SS..Hα-helixtrans-68.5-22.4179.467.7-93.6000113.4Y635 L641Y635-W637 AromaticContact CD1-NE1 3.54Å; Y635-W637 AromaticContact CG-NE1 3.86Å; Y635-W637 PolarHBondContact O-N 2.75Å; W637-L641 HydrophobicContact CE3-CB 4.46Å; W637-L641 HydrophobicContact CE3-CD2 4.2Å; W637-L641 HydrophobicContact CZ3-CD2 3.85Å; W637-L641 VanDerWaalsContact O-CB 3.26Å; W637-L641 WeakPolarHBondContact O-CB 3.43Å; W637-L641 PolarHBondContact O-N 3.37Å
638V84.6Confident84.3Confident6 Ų656.2 Ų56.24%0.03629%0.29CS..Hα-helixtrans-71.4-53.2-174.9170.50000111.3I222 Y226 Y635 Y636 I640 L641 T642I222-V638 HydrophobicContact CD1-CG2 4.31Å; I222-V638 HydrophobicContact CG1-CG1 4.28Å; I222-V638 HydrophobicContact CG1-CG2 3.91Å; I222-V638 HydrophobicContact CG2-CG1 3.94Å; Y226-V638 HydrophobicContact CE2-CG1 3.99Å; Y635-V638 WeakPolarHBondContact O-CB 3.5Å; Y635-V638 PolarHBondContact O-N 3.03Å; Y636-V638 VanDerWaalsContact C-N 3.26Å; Y636-V638 PolarHBondContact O-N 3.07Å; V638-I640 VanDerWaalsContact C-N 3.31Å; V638-I640 PolarHBondContact O-N 3.12Å; V638-L641 PolarHBondContact O-N 3.43Å; V638-T642 PolarHBondContact O-N 2.86Å; V638-T642 PolarHBondContact O-OG1 2.97Å
639P88.1Confident85.6Confident0 Ų053.5 Ų53.50%028%0.275CS..Hα-helixtrans-59.5-38.9171.9-28.638.8000113.2S229 I233 F619 L633 Y635 T642 V643S229-P639 WeakPolarHBondContact OG-CG 3.26Å; I233-P639 HydrophobicContact CD1-CB 4.02Å; I233-P639 HydrophobicContact CG1-CB 4.08Å; F619-P639 HydrophobicContact CD1-CB 4.35Å; F619-P639 HydrophobicContact CD2-CB 4.29Å; F619-P639 HydrophobicContact CE1-CB 3.88Å; F619-P639 HydrophobicContact CE1-CG 4.46Å; F619-P639 HydrophobicContact CE2-CB 3.83Å; F619-P639 HydrophobicContact CZ-CB 3.61Å; L633-P639 HydrophobicContact CD1-CG 3.87Å; L633-P639 HydrophobicContact CD2-CG 4.49Å; Y635-P639 WeakPolarHBondContact O-CD 3.49Å; P639-T642 WeakPolarHBondContact O-CB 3.38Å; P639-T642 PolarHBondContact O-N 2.87Å; P639-V643 WeakPolarHBondContact O-CG2 3.07Å; P639-V643 PolarHBondContact O-N 3.26Å
640I89.6Confident86.5Confident14 Ų1452.3 Ų52.37%0.07227%0.266CS..Hα-helixtrans-61.2-48.9177.2-62.5165000110.7A615 F616 F619 Y636 V638 T642 V643 I644A615-I640 HydrophobicContact CB-CG1 4.47Å; A615-I640 HydrophobicContact CB-CG2 4.47Å; F616-I640 HydrophobicContact CB-CD1 4.31Å; F616-I640 HydrophobicContact CD2-CD1 4.06Å; F619-I640 HydrophobicContact CB-CD1 4.1Å; F619-I640 HydrophobicContact CB-CG1 4.01Å; F619-I640 HydrophobicContact CD2-CG1 3.64Å; F619-I640 HydrophobicContact CG-CG1 4.19Å; Y636-I640 HydrophobicContact CD2-CD1 3.89Å; Y636-I640 VanDerWaalsContact O-CD1 3.27Å; Y636-I640 WeakPolarHBondContact O-CD1 3.32Å; Y636-I640 VanDerWaalsContact O-CG1 3.3Å; Y636-I640 WeakPolarHBondContact O-CG1 3.47Å; V638-I640 VanDerWaalsContact C-N 3.31Å; V638-I640 PolarHBondContact O-N 3.12Å; I640-T642 PolarHBondContact O-N 2.04Å; I640-V643 PolarHBondContact O-N 2.78Å; I640-I644 HydrophobicContact CG2-CD1 3.68Å; I640-I644 HydrophobicContact CG2-CG1 4.33Å; I640-I644 WeakPolarHBondContact O-CB 3.04Å; I640-I644 VanDerWaalsContact O-CG1 3.3Å; I640-I644 WeakPolarHBondContact O-CG1 3.33Å; I640-I644 PolarHBondContact O-N 3.21Å
641L90.1Very high87.5Confident86 Ų8651.9 Ų51.945%0.4526%0.262SS..Hα-helixtrans-59.8-39.7177.6-177.564000111.1W637 V638 I644 V645W637-L641 HydrophobicContact CE3-CB 4.46Å; W637-L641 HydrophobicContact CE3-CD2 4.2Å; W637-L641 HydrophobicContact CZ3-CD2 3.85Å; W637-L641 VanDerWaalsContact O-CB 3.26Å; W637-L641 WeakPolarHBondContact O-CB 3.43Å; W637-L641 PolarHBondContact O-N 3.37Å; V638-L641 PolarHBondContact O-N 3.43Å; L641-I644 PolarHBondContact O-N 2.76Å; L641-V645 HydrophobicContact CD1-CG2 4.21Å; L641-V645 HydrophobicContact CG-CG2 4.39Å; L641-V645 WeakPolarHBondContact O-CB 3.42Å; L641-V645 VanDerWaalsContact O-CG2 3.28Å; L641-V645 WeakPolarHBondContact O-CG2 3.46Å; L641-V645 PolarHBondContact O-N 2.79Å
642T89.9Confident88.3Confident37 Ų3755.3 Ų55.323%0.22728%0.277CS..Hα-helixtrans-62.5-46.7176.6-50.90000111.7Y226 I233 V638 P639 I640 I644 V645 G646Y226-T642 HydrophobicContact CE1-CG2 3.98Å; Y226-T642 WeakPolarHBondContact CE1-OG1 3.42Å; Y226-T642 PolarHBondContact OH-OG1 3.23Å; I233-T642 HydrophobicContact CD1-CG2 4.43Å; I233-T642 HydrophobicContact CG2-CG2 3.95Å; V638-T642 PolarHBondContact O-N 2.86Å; V638-T642 PolarHBondContact O-OG1 2.97Å; P639-T642 WeakPolarHBondContact O-CB 3.38Å; P639-T642 PolarHBondContact O-N 2.87Å; I640-T642 PolarHBondContact O-N 2.04Å; T642-I644 VanDerWaalsContact C-N 3.35Å; T642-I644 PolarHBondContact O-N 3.2Å; T642-V645 PolarHBondContact O-N 2.77Å; T642-G646 PolarHBondContact O-N 3.15Å
643V94.2Very high88.9Confident2 Ų250.3 Ų50.31%0.01225%0.247CC..Hα-helixtrans-63.1-41.7176.5172.20000110.7I233 V611 A615 P639 I640 S647I233-V643 HydrophobicContact CB-CG2 4.3Å; I233-V643 HydrophobicContact CG1-CG2 4.27Å; I233-V643 HydrophobicContact CG2-CG2 4.03Å; V611-V643 HydrophobicContact CG1-CG1 3.54Å; A615-V643 HydrophobicContact CB-CB 4.39Å; A615-V643 HydrophobicContact CB-CG1 4.11Å; P639-V643 WeakPolarHBondContact O-CG2 3.07Å; P639-V643 PolarHBondContact O-N 3.26Å; I640-V643 PolarHBondContact O-N 2.78Å; V643-S647 WeakPolarHBondContact O-CB 3.24Å; V643-S647 PolarHBondContact O-N 3.39Å; V643-S647 PolarHBondContact O-OG 2.68Å
644I93.6Very high89.3Confident56 Ų5650 Ų5029%0.28724%0.244SC..Hα-helixtrans-61.5-51176.9-73.6170.2000110.8V608 I640 L641 T642 S647 Y648V608-I644 HydrophobicContact CG1-CB 4.44Å; V608-I644 HydrophobicContact CG1-CG2 3.68Å; I640-I644 HydrophobicContact CG2-CD1 3.68Å; I640-I644 HydrophobicContact CG2-CG1 4.33Å; I640-I644 WeakPolarHBondContact O-CB 3.04Å; I640-I644 VanDerWaalsContact O-CG1 3.3Å; I640-I644 WeakPolarHBondContact O-CG1 3.33Å; I640-I644 PolarHBondContact O-N 3.21Å; L641-I644 PolarHBondContact O-N 2.76Å; T642-I644 VanDerWaalsContact C-N 3.35Å; T642-I644 PolarHBondContact O-N 3.2Å; I644-S647 PolarHBondContact O-N 3.36Å; I644-Y648 PolarHBondContact O-N 3.4Å
645V93.6Very high89.9Confident75 Ų7546 Ų4646%0.45522%0.223SC..Hα-helixtrans-63.9-46.5179.9171.30000110.6L641 T642 S647 Y648 L649L641-V645 HydrophobicContact CD1-CG2 4.21Å; L641-V645 HydrophobicContact CG-CG2 4.39Å; L641-V645 WeakPolarHBondContact O-CB 3.42Å; L641-V645 VanDerWaalsContact O-CG2 3.28Å; L641-V645 WeakPolarHBondContact O-CG2 3.46Å; L641-V645 PolarHBondContact O-N 2.79Å; T642-V645 PolarHBondContact O-N 2.77Å; V645-S647 PolarHBondContact O-N 3.31Å; V645-Y648 WeakPolarHBondContact O-CB 3.41Å; V645-Y648 PolarHBondContact O-N 2.96Å; V645-L649 HydrophobicContact CG1-CD1 4.45Å; V645-L649 WeakPolarHBondContact O-CG 3.33Å; V645-L649 PolarHBondContact O-N 3.22Å
646G91.3Very high90.3Very high14 Ų1445.3 Ų45.314%0.14423%0.227CC..Hα-helixtrans-63.6-40.7177.700000112.5T642 Y648 L649 I650T642-G646 PolarHBondContact O-N 3.15Å; G646-Y648 VanDerWaalsContact C-N 3.3Å; G646-Y648 PolarHBondContact O-N 2.89Å; G646-L649 PolarHBondContact O-N 3.3Å; G646-I650 VanDerWaalsContact O-CG1 3.32Å; G646-I650 WeakPolarHBondContact O-CG1 3.47Å; G646-I650 PolarHBondContact O-N 2.81Å
647S95Very high90.7Very high0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-61.3-39.1173.6-60.80000111.7A240 V611 V643 I644 V645 I650 A651A240-S647 VanDerWaalsContact CB-OG 3.26Å; A240-S647 WeakPolarHBondContact CB-OG 3.48Å; V611-S647 WeakPolarHBondContact CG1-OG 3.45Å; V643-S647 WeakPolarHBondContact O-CB 3.24Å; V643-S647 PolarHBondContact O-N 3.39Å; V643-S647 PolarHBondContact O-OG 2.68Å; I644-S647 PolarHBondContact O-N 3.36Å; V645-S647 PolarHBondContact O-N 3.31Å; S647-I650 PolarHBondContact O-N 3.45Å; S647-A651 VanDerWaalsContact O-CB 3.31Å; S647-A651 WeakPolarHBondContact O-CB 3.3Å; S647-A651 PolarHBondContact O-N 3.11Å
648Y94.2Very high91Very high94 Ų9434.1 Ų34.137%0.36918%0.184SC..Hα-helixtrans-64.6-43175.9179.7-90000111.4V608 I644 V645 G646 A651 H652V608-Y648 VanDerWaalsContact CG2-CA 3.42Å; V608-Y648 HydrophobicContact CG2-CD2 4.2Å; V608-Y648 HydrophobicContact CG2-CG 4.48Å; I644-Y648 PolarHBondContact O-N 3.4Å; V645-Y648 WeakPolarHBondContact O-CB 3.41Å; V645-Y648 PolarHBondContact O-N 2.96Å; G646-Y648 VanDerWaalsContact C-N 3.3Å; G646-Y648 PolarHBondContact O-N 2.89Å; Y648-A651 PolarHBondContact O-N 3.41Å; Y648-H652 HydrophobicContact CE1-CB 4.46Å; Y648-H652 WeakPolarHBondContact O-CB 3.06Å; Y648-H652 PolarHBondContact O-N 2.67Å
649L91.2Very high91.3Very high110 Ų11034.1 Ų34.158%0.57619%0.185SC*.Hα-helixtrans-63.2-43.3176.9-67.2176.3000111.8V645 G646 H652 G653V645-L649 HydrophobicContact CG1-CD1 4.45Å; V645-L649 WeakPolarHBondContact O-CG 3.33Å; V645-L649 PolarHBondContact O-N 3.22Å; G646-L649 PolarHBondContact O-N 3.3Å; L649-H652 PolarHBondContact O-N 2.64Å; L649-G653 PolarHBondContact O-N 3.37Å
650I90.9Very high91.6Very high44 Ų4434.6 Ų34.623%0.22619%0.187CC..Hα-helixtrans-61.4-54.7176.2-69.2169.6000110L237 A240 M241 G646 S647 H652 G653 F654L237-I650 HydrophobicContact CB-CD1 3.94Å; L237-I650 HydrophobicContact CD2-CD1 4.06Å; L237-I650 WeakPolarHBondContact O-CD1 3.43Å; A240-I650 HydrophobicContact CB-CD1 4.46Å; M241-I650 HydrophobicContact CB-CG2 4.1Å; G646-I650 VanDerWaalsContact O-CG1 3.32Å; G646-I650 WeakPolarHBondContact O-CG1 3.47Å; G646-I650 PolarHBondContact O-N 2.81Å; S647-I650 PolarHBondContact O-N 3.45Å; I650-H652 VanDerWaalsContact C-N 3.28Å; I650-H652 PolarHBondContact O-N 3.2Å; I650-G653 PolarHBondContact O-N 3.39Å; I650-G653 VanDerWaalsContact O-N 3.08Å; I650-F654 HydrophobicContact CG2-CD2 3.79Å; I650-F654 HydrophobicContact CG2-CE2 3.61Å; I650-F654 VanDerWaalsContact O-CD2 3.25Å; I650-F654 WeakPolarHBondContact O-CD2 3.38Å; I650-F654 PolarHBondContact O-N 3.44Å; I650-F654 VanDerWaalsContact O-N 3.1Å
651A92.8Very high91.8Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-56.9-44.717800000110.8K604 I607 S647 Y648 G653 F654 F655K604-A651 HydrophobicContact CG-CB 4.22Å; I607-A651 HydrophobicContact CD1-CB 4.4Å; I607-A651 HydrophobicContact CG2-CB 4.32Å; S647-A651 VanDerWaalsContact O-CB 3.31Å; S647-A651 WeakPolarHBondContact O-CB 3.3Å; S647-A651 PolarHBondContact O-N 3.11Å; Y648-A651 PolarHBondContact O-N 3.41Å; A651-G653 VanDerWaalsContact C-N 3.33Å; A651-G653 PolarHBondContact O-N 3.42Å; A651-F654 PolarHBondContact O-N 2.97Å; A651-F655 HydrophobicContact CB-CD2 4.42Å; A651-F655 WeakPolarHBondContact O-CD2 3.19Å; A651-F655 PolarHBondContact O-N 3.33Å
652H91.6Very high91.9Very high84 Ų8429.9 Ų29.939%0.38916%0.163SC..Hα-helixtrans-56.5-44.6175.9-178.4-80.4000112.2Y648 L649 I650 S656Y648-H652 HydrophobicContact CE1-CB 4.46Å; Y648-H652 WeakPolarHBondContact O-CB 3.06Å; Y648-H652 PolarHBondContact O-N 2.67Å; L649-H652 PolarHBondContact O-N 2.64Å; I650-H652 VanDerWaalsContact C-N 3.28Å; I650-H652 PolarHBondContact O-N 3.2Å; H652-S656 VanDerWaalsContact O-CB 3.27Å; H652-S656 WeakPolarHBondContact O-CB 3.35Å; H652-S656 PolarHBondContact O-N 3.18Å
653G89.7Confident92Very high14 Ų1428.9 Ų28.914%0.14416%0.156CC..Hα-helixtrans-56.5-52.4175.100000112.2P362 L649 I650 A651 S656 V657P362-G653 WeakPolarHBondContact CG-O 3.43Å; L649-G653 PolarHBondContact O-N 3.37Å; I650-G653 PolarHBondContact O-N 3.39Å; I650-G653 VanDerWaalsContact O-N 3.08Å; A651-G653 VanDerWaalsContact C-N 3.33Å; A651-G653 PolarHBondContact O-N 3.42Å; G653-S656 PolarHBondContact O-N 2.73Å; G653-S656 PolarHBondContact O-OG 3.5Å; G653-V657 PolarHBondContact O-N 2.89Å
654F89.1Confident92Very high28 Ų2828.8 Ų28.812%0.12316%0.155CC..Hα-helixtrans-60.1-48.5178.2-81-72000113.1M241 I248 L359 I650 A651 S656 V657 Y658M241-F654 HydrophobicContact CG-CE2 3.9Å; M241-F654 HydrophobicContact CG-CZ 3.92Å; I248-F654 HydrophobicContact CD1-CB 3.72Å; I248-F654 HydrophobicContact CD1-CD1 3.96Å; I248-F654 HydrophobicContact CD1-CG 4.2Å; L359-F654 HydrophobicContact CB-CD1 4.42Å; L359-F654 HydrophobicContact CB-CE1 4.21Å; L359-F654 HydrophobicContact CD2-CD1 4.23Å; I650-F654 HydrophobicContact CG2-CD2 3.79Å; I650-F654 HydrophobicContact CG2-CE2 3.61Å; I650-F654 VanDerWaalsContact O-CD2 3.25Å; I650-F654 WeakPolarHBondContact O-CD2 3.38Å; I650-F654 PolarHBondContact O-N 3.44Å; I650-F654 VanDerWaalsContact O-N 3.1Å; A651-F654 PolarHBondContact O-N 2.97Å; F654-S656 VanDerWaalsContact C-N 3.28Å; F654-S656 PolarHBondContact O-N 3.3Å; F654-V657 PolarHBondContact O-N 2.67Å; F654-Y658 PolarHBondContact O-N 3.15Å
655F90.3Very high92Very high4 Ų426.3 Ų26.32%0.01814%0.143CC..Hα-helixtrans-68.2-25.8177.7-79.6-74.6000113.2F247 F600 K604 I607 A651 Y658 G659F247-F655 HydrophobicContact CD1-CE1 4.25Å; F247-F655 AromaticContact CD1-CZ 3.67Å; F247-F655 HydrophobicContact CD1-CZ 3.67Å; F247-F655 AromaticContact CE1-CE1 3.8Å; F247-F655 HydrophobicContact CE1-CE1 3.8Å; F247-F655 AromaticContact CE1-CZ 3.4Å; F247-F655 HydrophobicContact CE1-CZ 3.4Å; F247-F655 VanDerWaalsContact CE1-CZ 3.4Å; F247-F655 HydrophobicContact CZ-CZ 4.29Å; F600-F655 HydrophobicContact CB-CB 4.49Å; F600-F655 HydrophobicContact CB-CD1 3.84Å; F600-F655 HydrophobicContact CB-CE1 4.39Å; F600-F655 HydrophobicContact CB-CG 4.32Å; F600-F655 AromaticContact CD1-CD1 3.52Å; F600-F655 HydrophobicContact CD1-CD1 3.52Å; F600-F655 AromaticContact CD1-CE1 3.84Å; F600-F655 HydrophobicContact CD1-CE1 3.84Å; F600-F655 HydrophobicContact CE1-CD1 4.32Å; F600-F655 AromaticContact CG-CD1 3.81Å; F600-F655 HydrophobicContact CG-CD1 3.81Å; F600-F655 HydrophobicContact CG-CE1 4.44Å; K604-F655 HydrophobicContact CB-CE2 4.49Å; K604-F655 HydrophobicContact CD-CD2 4.27Å; K604-F655 VanDerWaalsContact CE-CB 3.41Å; K604-F655 HydrophobicContact CG-CD2 3.38Å; K604-F655 HydrophobicContact CG-CE2 3.74Å; K604-F655 HydrophobicContact CG-CG 4.14Å; I607-F655 HydrophobicContact CD1-CE2 3.84Å; I607-F655 HydrophobicContact CD1-CZ 4.33Å; A651-F655 HydrophobicContact CB-CD2 4.42Å; A651-F655 WeakPolarHBondContact O-CD2 3.19Å; A651-F655 PolarHBondContact O-N 3.33Å; F655-Y658 WeakPolarHBondContact O-CB 3.07Å; F655-Y658 PolarHBondContact O-N 3.4Å; F655-G659 PolarHBondContact O-N 3.01Å
656S90.1Very high91.8Very high48 Ų4823.3 Ų23.334%0.33612%0.124SC..Hα-helixtrans-66.2-38.717775.10000112H652 G653 F654 Y658 G659 M660H652-S656 VanDerWaalsContact O-CB 3.27Å; H652-S656 WeakPolarHBondContact O-CB 3.35Å; H652-S656 PolarHBondContact O-N 3.18Å; G653-S656 PolarHBondContact O-N 2.73Å; G653-S656 PolarHBondContact O-OG 3.5Å; F654-S656 VanDerWaalsContact C-N 3.28Å; F654-S656 PolarHBondContact O-N 3.3Å; S656-Y658 VanDerWaalsContact C-N 3.31Å; S656-Y658 PolarHBondContact O-N 3.13Å; S656-G659 PolarHBondContact O-N 3.35Å; S656-M660 WeakPolarHBondContact O-CG 3.5Å; S656-M660 PolarHBondContact O-N 3.09Å
657V92Very high91.8Very high1 Ų122.7 Ų22.71%0.00612%0.117CC..Hα-helixtrans-61.4-44.8172.8176.60000110.2S358 L359 P362 L466 F470 G653 F654 M660 C661S358-V657 WeakPolarHBondContact O-CG2 3.34Å; L359-V657 HydrophobicContact CD2-CG1 4.26Å; P362-V657 HydrophobicContact CG-CG2 3.36Å; L466-V657 HydrophobicContact CD1-CG2 4.26Å; L466-V657 HydrophobicContact CD2-CG1 4.12Å; F470-V657 HydrophobicContact CE2-CG1 4.29Å; F470-V657 HydrophobicContact CZ-CG1 3.98Å; G653-V657 PolarHBondContact O-N 2.89Å; F654-V657 PolarHBondContact O-N 2.67Å; V657-M660 PolarHBondContact O-N 3.29Å; V657-C661 PolarHBondContact O-N 2.92Å
658Y89.8Confident91.7Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-64.6-41.5178.9-152-77.9000112.3I248 I345 A348 S349 V352 F600 F654 F655 S656 C661 V662I248-Y658 HydrophobicContact CG2-CD2 4.48Å; I248-Y658 HydrophobicContact CG2-CE2 4.48Å; I345-Y658 HydrophobicContact CB-CE1 4.34Å; I345-Y658 HydrophobicContact CG1-CE1 4.36Å; I345-Y658 HydrophobicContact CG2-CE1 3.87Å; I345-Y658 VanDerWaalsContact CG2-OH 3.29Å; I345-Y658 WeakPolarHBondContact CG2-OH 3.38Å; I345-Y658 PolarHBondContact O-OH 3.33Å; A348-Y658 HydrophobicContact CB-CD1 4.38Å; A348-Y658 HydrophobicContact CB-CE1 3.75Å; S349-Y658 WeakPolarHBondContact CA-OH 3.37Å; S349-Y658 WeakPolarHBondContact CB-OH 3.35Å; S349-Y658 PolarHBondContact N-OH 2.93Å; S349-Y658 VanDerWaalsContact N-OH 3.14Å; V352-Y658 HydrophobicContact CG2-CD2 4.29Å; F600-Y658 AromaticContact CE1-CD1 3.55Å; F600-Y658 HydrophobicContact CE1-CD1 3.55Å; F600-Y658 AromaticContact CE1-CE1 3.95Å; F600-Y658 HydrophobicContact CE1-CE1 3.95Å; F600-Y658 HydrophobicContact CE1-CG 4.39Å; F600-Y658 HydrophobicContact CE2-CD1 4.46Å; F600-Y658 AromaticContact CZ-CD1 3.41Å; F600-Y658 HydrophobicContact CZ-CD1 3.41Å; F600-Y658 VanDerWaalsContact CZ-CD1 3.41Å; F600-Y658 HydrophobicContact CZ-CE1 4Å; F600-Y658 HydrophobicContact CZ-CG 4.4Å; F654-Y658 PolarHBondContact O-N 3.15Å; F655-Y658 WeakPolarHBondContact O-CB 3.07Å; F655-Y658 PolarHBondContact O-N 3.4Å; S656-Y658 VanDerWaalsContact C-N 3.31Å; S656-Y658 PolarHBondContact O-N 3.13Å; Y658-C661 WeakPolarHBondContact O-CB 3.02Å; Y658-C661 PolarHBondContact O-N 3.46Å; Y658-V662 HydrophobicContact CD1-CG2 3.88Å; Y658-V662 HydrophobicContact CE1-CG2 3.86Å; Y658-V662 WeakPolarHBondContact O-CG2 3.02Å; Y658-V662 PolarHBondContact O-N 2.99Å
659G91Very high91.5Very high5 Ų518.4 Ų18.45%0.05210%0.1CC..Hα-helixtrans-60.7-44.2174.100000112.2R558 F655 S656 C661 V662 D663R558-G659 VanDerWaalsContact NH2-C 3.34Å; R558-G659 PolarHBondContact NH2-O 3.12Å; F655-G659 PolarHBondContact O-N 3.01Å; S656-G659 PolarHBondContact O-N 3.35Å; G659-C661 VanDerWaalsContact C-N 3.31Å; G659-C661 PolarHBondContact O-N 3.2Å; G659-V662 PolarHBondContact O-N 2.97Å; G659-D663 VanDerWaalsContact O-CG 3.25Å; G659-D663 PolarHBondContact O-N 3.18Å
660M93.4Very high91.4Very high10 Ų1013.2 Ų13.25%0.0497%0.073CC..Hα-helixtrans-62.9-37.3173.8-72.9-55.9-54.100112.4Q463 L466 R558 I562 S656 V657 T664Q463-M660 HydrophobicContact CB-CE 3.7Å; Q463-M660 HydrophobicContact CB-SD 4.3Å; Q463-M660 HydrophobicContact CG-CE 3.89Å; Q463-M660 HydrophobicContact CG-SD 3.79Å; L466-M660 HydrophobicContact CB-CB 4.32Å; L466-M660 HydrophobicContact CD1-CB 4.24Å; L466-M660 HydrophobicContact CD1-CG 4.28Å; R558-M660 HydrophobicContact CG-CE 4.33Å; R558-M660 HydrophobicContact CG-SD 3.99Å; R558-M660 PolarHBondContact NE-SD 3.2Å; R558-M660 VanDerWaalsContact NE-SD 3.37Å; I562-M660 HydrophobicContact CG1-CE 4.36Å; S656-M660 WeakPolarHBondContact O-CG 3.5Å; S656-M660 PolarHBondContact O-N 3.09Å; V657-M660 PolarHBondContact O-N 3.29Å; M660-T664 WeakPolarHBondContact O-CB 3.33Å; M660-T664 PolarHBondContact O-N 3.25Å; M660-T664 PolarHBondContact O-OG1 3.38Å
661C93.8Very high91.3Very high0 Ų011.2 Ų11.20%06%0.063CC..Hα-helixtrans-62.1-51.6173.8-174.20000111.3A348 V352 F470 V657 Y658 G659 D663 T664 L665A348-C661 HydrophobicContact CB-CB 4.33Å; V352-C661 HydrophobicContact CG2-CB 4.15Å; F470-C661 HydrophobicContact CD1-CB 4.14Å; F470-C661 VanDerWaalsContact CD1-SG 3.57Å; F470-C661 VanDerWaalsContact CD2-CA 3.46Å; F470-C661 HydrophobicContact CD2-CB 3.64Å; F470-C661 HydrophobicContact CE1-CB 4.06Å; F470-C661 HydrophobicContact CE2-CB 3.54Å; F470-C661 HydrophobicContact CG-CB 3.95Å; F470-C661 HydrophobicContact CZ-CB 3.76Å; V657-C661 PolarHBondContact O-N 2.92Å; Y658-C661 WeakPolarHBondContact O-CB 3.02Å; Y658-C661 PolarHBondContact O-N 3.46Å; G659-C661 VanDerWaalsContact C-N 3.31Å; G659-C661 PolarHBondContact O-N 3.2Å; C661-D663 VanDerWaalsContact C-N 3.34Å; C661-D663 PolarHBondContact O-N 3.31Å; C661-T664 PolarHBondContact O-N 2.87Å; C661-L665 VanDerWaalsContact O-CG 3.3Å; C661-L665 WeakPolarHBondContact O-CG 3.2Å; C661-L665 PolarHBondContact O-N 2.56Å
662V91.8Very high91.2Very high1 Ų111.2 Ų11.21%0.0066%0.063CC..Hα-helixtrans-58.1-46.2-178.9168.40000111.2I345 A348 L592 T596 F600 Y658 G659 T664 L665 F666I345-V662 HydrophobicContact CG1-CG2 4.39Å; A348-V662 HydrophobicContact CB-CG2 3.55Å; L592-V662 HydrophobicContact CD2-CG1 4.31Å; T596-V662 HydrophobicContact CG2-CG1 3.95Å; F600-V662 HydrophobicContact CZ-CG2 4.06Å; Y658-V662 HydrophobicContact CD1-CG2 3.88Å; Y658-V662 HydrophobicContact CE1-CG2 3.86Å; Y658-V662 WeakPolarHBondContact O-CG2 3.02Å; Y658-V662 PolarHBondContact O-N 2.99Å; G659-V662 PolarHBondContact O-N 2.97Å; V662-T664 VanDerWaalsContact C-N 3.35Å; V662-T664 PolarHBondContact O-N 2.88Å; V662-L665 PolarHBondContact O-N 2.77Å; V662-F666 WeakPolarHBondContact O-CB 3.43Å; V662-F666 PolarHBondContact O-N 3.01Å
663D92.3Very high90.9Very high16 Ų169.1 Ų9.19%0.0865%0.054CC..Hα-helixtrans-64.1-41.3178.6-61.9-16.9000112.4R558 I562 G659 C661 F666 L667R558-D663 IonicContact CZ-OD2 3.65Å; R558-D663 IonicContact NE-OD2 3.94Å; R558-D663 PolarHBondContact NE-OD2 3.34Å; R558-D663 IonicContact NH1-OD2 3.57Å; R558-D663 IonicContact NH2-OD2 3.73Å; R558-D663 PolarHBondContact NH2-OD2 3.12Å; I562-D663 HydrophobicContact CD1-CB 3.79Å; G659-D663 VanDerWaalsContact O-CG 3.25Å; G659-D663 PolarHBondContact O-N 3.18Å; C661-D663 VanDerWaalsContact C-N 3.34Å; C661-D663 PolarHBondContact O-N 3.31Å; D663-F666 PolarHBondContact O-N 2.84Å; D663-L667 WeakPolarHBondContact O-CB 3.41Å; D663-L667 PolarHBondContact O-N 2.9Å
664T94.7Very high90.8Very high0 Ų010.4 Ų10.40%06%0.056CC..Hα-helixtrans-63.5-48.3179.7-58.60000110.5A467 F470 A471 I562 M660 C661 V662 F666 L667 C668A467-T664 WeakPolarHBondContact CA-OG1 3.42Å; A467-T664 HydrophobicContact CB-CG2 4.33Å; A467-T664 WeakPolarHBondContact O-CG2 3.28Å; F470-T664 HydrophobicContact CB-CG2 3.93Å; A471-T664 HydrophobicContact CB-CG2 4Å; I562-T664 HydrophobicContact CG2-CG2 4.17Å; M660-T664 WeakPolarHBondContact O-CB 3.33Å; M660-T664 PolarHBondContact O-N 3.25Å; M660-T664 PolarHBondContact O-OG1 3.38Å; C661-T664 PolarHBondContact O-N 2.87Å; V662-T664 VanDerWaalsContact C-N 3.35Å; V662-T664 PolarHBondContact O-N 2.88Å; T664-F666 VanDerWaalsContact C-N 3.29Å; T664-F666 PolarHBondContact O-N 3.03Å; T664-L667 PolarHBondContact O-N 2.69Å; T664-C668 WeakPolarHBondContact O-CB 3.34Å; T664-C668 PolarHBondContact O-N 3.5Å; T664-C668 PolarHBondContact O-SG 3.43Å
665L92.9Very high90.7Very high4 Ų49.7 Ų9.72%0.0215%0.053CC..Hα-helixtrans-64.5-37.5177.2-61.3-175.2000111.1E347 A348 A351 Y473 Y474 C661 V662 F669E347-L665 HydrophobicContact CB-CD1 4.41Å; A348-L665 HydrophobicContact CB-CD1 3.98Å; A351-L665 HydrophobicContact CB-CD1 4.15Å; Y473-L665 HydrophobicContact CD1-CD2 4.09Å; Y474-L665 HydrophobicContact CD2-CB 4.28Å; Y474-L665 HydrophobicContact CD2-CD2 3.81Å; Y474-L665 HydrophobicContact CG-CD2 4.29Å; C661-L665 VanDerWaalsContact O-CG 3.3Å; C661-L665 WeakPolarHBondContact O-CG 3.2Å; C661-L665 PolarHBondContact O-N 2.56Å; V662-L665 PolarHBondContact O-N 2.77Å; L665-F669 WeakPolarHBondContact O-CB 3.34Å; L665-F669 PolarHBondContact O-N 3.03Å
666F90.4Very high90.6Very high12 Ų1210 Ų105%0.0536%0.055CC..Hα-helixtrans-66.9-43.4178.2178.6-118.7000111.9L344 R588 V589 L592 V662 D663 T664 F669 L670L344-F666 HydrophobicContact CD1-CD2 4Å; R588-F666 HydrophobicContact CB-CZ 4.43Å; V589-F666 HydrophobicContact CB-CE1 4.08Å; V589-F666 HydrophobicContact CB-CZ 4.38Å; V589-F666 HydrophobicContact CG1-CE1 4.27Å; V589-F666 HydrophobicContact CG2-CE1 3.7Å; V589-F666 HydrophobicContact CG2-CZ 3.91Å; L592-F666 HydrophobicContact CD1-CD2 3.42Å; L592-F666 VanDerWaalsContact CD1-CD2 3.42Å; L592-F666 HydrophobicContact CD1-CE2 3.44Å; L592-F666 VanDerWaalsContact CD1-CE2 3.44Å; L592-F666 HydrophobicContact CD1-CG 4.01Å; L592-F666 HydrophobicContact CD1-CZ 4.02Å; L592-F666 HydrophobicContact CD2-CD1 4.31Å; L592-F666 HydrophobicContact CD2-CD2 4.45Å; L592-F666 HydrophobicContact CD2-CG 4.21Å; V662-F666 WeakPolarHBondContact O-CB 3.43Å; V662-F666 PolarHBondContact O-N 3.01Å; D663-F666 PolarHBondContact O-N 2.84Å; T664-F666 VanDerWaalsContact C-N 3.29Å; T664-F666 PolarHBondContact O-N 3.03Å; F666-F669 AromaticContact CD2-CD1 3.86Å; F666-F669 HydrophobicContact CD2-CD1 3.86Å; F666-F669 HydrophobicContact CD2-CE1 4.43Å; F666-F669 HydrophobicContact CE2-CD1 4.06Å; F666-F669 HydrophobicContact CE2-CE1 4.24Å; F666-F669 WeakPolarHBondContact O-CB 3.15Å; F666-F669 PolarHBondContact O-N 3.41Å; F666-L670 HydrophobicContact CD1-CD1 4.38Å; F666-L670 HydrophobicContact CD2-CG 4.49Å; F666-L670 HydrophobicContact CE1-CD1 3.8Å; F666-L670 HydrophobicContact CE1-CG 4.33Å; F666-L670 HydrophobicContact CE2-CD1 4.36Å; F666-L670 HydrophobicContact CE2-CD2 3.96Å; F666-L670 HydrophobicContact CE2-CG 4.06Å; F666-L670 HydrophobicContact CZ-CD1 3.79Å; F666-L670 HydrophobicContact CZ-CD2 3.98Å; F666-L670 HydrophobicContact CZ-CG 3.98Å; F666-L670 WeakPolarHBondContact O-CG 3.46Å; F666-L670 PolarHBondContact O-N 3.27Å
667L91.8Very high90.4Very high1 Ų111.9 Ų11.91%0.0056%0.061CC..Hα-helixtrans-64.3-45.3176-15685.5000111.1I562 M563 L581 L582 D663 T664 F669 L670 E671I562-L667 HydrophobicContact CB-CD2 3.94Å; I562-L667 HydrophobicContact CG2-CB 4.18Å; I562-L667 HydrophobicContact CG2-CD2 3.46Å; I562-L667 VanDerWaalsContact CG2-CD2 3.46Å; I562-L667 HydrophobicContact CG2-CG 4.45Å; M563-L667 HydrophobicContact CG-CD2 3.81Å; M563-L667 HydrophobicContact SD-CD2 3.48Å; M563-L667 WeakPolarHBondContact SD-CD2 3.48Å; L581-L667 HydrophobicContact CD2-CD1 4.09Å; L581-L667 HydrophobicContact CD2-CG 3.94Å; L582-L667 HydrophobicContact CD1-CD1 4.4Å; L582-L667 HydrophobicContact CD2-CD1 3.73Å; L582-L667 HydrophobicContact CG-CD1 4.06Å; D663-L667 WeakPolarHBondContact O-CB 3.41Å; D663-L667 PolarHBondContact O-N 2.9Å; T664-L667 PolarHBondContact O-N 2.69Å; L667-F669 PolarHBondContact O-N 3.41Å; L667-L670 PolarHBondContact O-N 3.32Å; L667-E671 PolarHBondContact O-N 3.47Å
668C92.3Very high89.9Confident0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-60.8-37.2174.4-64.10000111.5Y474 W475 T664 E671 D672Y474-C668 HydrophobicContact CD1-CB 3.41Å; Y474-C668 VanDerWaalsContact CD1-CB 3.41Å; Y474-C668 HydrophobicContact CD2-CB 3.88Å; Y474-C668 HydrophobicContact CE1-CB 3.73Å; Y474-C668 HydrophobicContact CE2-CB 4.16Å; Y474-C668 HydrophobicContact CG-CB 3.51Å; W475-C668 HydrophobicContact CZ2-CB 4.17Å; W475-C668 PolarHBondContact NE1-SG 2.81Å; W475-C668 VanDerWaalsContact NE1-SG 3.45Å; T664-C668 WeakPolarHBondContact O-CB 3.34Å; T664-C668 PolarHBondContact O-N 3.5Å; T664-C668 PolarHBondContact O-SG 3.43Å; C668-E671 PolarHBondContact O-N 2.95Å; C668-D672 VanDerWaalsContact O-CB 3.29Å; C668-D672 WeakPolarHBondContact O-CB 3.41Å; C668-D672 PolarHBondContact O-N 2.97Å
669F89.6Confident89.7Confident4 Ų413.1 Ų13.12%0.0187%0.07CC..Hα-helixtrans-65.7-43.8175.3159-101.6000113.2Y474 L665 F666 L667 E671 D672 L673 M686 L690 L694Y474-F669 HydrophobicContact CE2-CB 4.16Å; Y474-F669 WeakPolarHBondContact OH-CA 3.3Å; L665-F669 WeakPolarHBondContact O-CB 3.34Å; L665-F669 PolarHBondContact O-N 3.03Å; F666-F669 AromaticContact CD2-CD1 3.86Å; F666-F669 HydrophobicContact CD2-CD1 3.86Å; F666-F669 HydrophobicContact CD2-CE1 4.43Å; F666-F669 HydrophobicContact CE2-CD1 4.06Å; F666-F669 HydrophobicContact CE2-CE1 4.24Å; F666-F669 WeakPolarHBondContact O-CB 3.15Å; F666-F669 PolarHBondContact O-N 3.41Å; L667-F669 PolarHBondContact O-N 3.41Å; F669-E671 PolarHBondContact O-N 3.48Å; F669-D672 PolarHBondContact O-N 3.11Å; F669-L673 HydrophobicContact CD2-CD1 4.46Å; F669-L673 HydrophobicContact CD2-CG 4.32Å; F669-L673 HydrophobicContact CE1-CD1 3.8Å; F669-L673 HydrophobicContact CE2-CD1 3.7Å; F669-L673 HydrophobicContact CE2-CD2 4.13Å; F669-L673 HydrophobicContact CE2-CG 3.79Å; F669-L673 HydrophobicContact CZ-CD1 3.33Å; F669-L673 HydrophobicContact CZ-CD2 4.48Å; F669-L673 HydrophobicContact CZ-CG 3.98Å; F669-L673 WeakPolarHBondContact O-CG 3.48Å; F669-L673 PolarHBondContact O-N 3.19Å; F669-M686 HydrophobicContact CD2-CB 4.38Å; F669-M686 HydrophobicContact CD2-CE 3.92Å; F669-M686 HydrophobicContact CD2-SD 4.12Å; F669-M686 HydrophobicContact CE2-CE 3.8Å; F669-M686 HydrophobicContact CE2-SD 3.82Å; F669-L690 HydrophobicContact CD2-CD2 3.38Å; F669-L690 HydrophobicContact CD2-CG 4.41Å; F669-L690 HydrophobicContact CE2-CD2 3.57Å; F669-L690 HydrophobicContact CE2-CG 4.14Å; F669-L690 HydrophobicContact CG-CD2 3.99Å; F669-L690 HydrophobicContact CZ-CD2 4.31Å; F669-L694 HydrophobicContact CE2-CD1 3.28Å; F669-L694 HydrophobicContact CZ-CD1 3.24Å
670L88.7Confident89.2Confident1 Ų116 Ų161%0.0059%0.093CC..Hα-helixtrans-60.6-38.6174.6-69.3-178.5000110.9L581 L582 N585 V589 F666 L667 L673 E674L581-L670 HydrophobicContact CD1-CB 4.06Å; L581-L670 HydrophobicContact CD2-CB 4.32Å; L581-L670 HydrophobicContact CG-CB 4.16Å; L582-L670 HydrophobicContact CD2-CD1 4.03Å; N585-L670 HydrophobicContact CB-CD1 4.06Å; N585-L670 HydrophobicContact CB-CD2 3.81Å; V589-L670 HydrophobicContact CG2-CD1 4.02Å; F666-L670 HydrophobicContact CD1-CD1 4.38Å; F666-L670 HydrophobicContact CD2-CG 4.49Å; F666-L670 HydrophobicContact CE1-CD1 3.8Å; F666-L670 HydrophobicContact CE1-CG 4.33Å; F666-L670 HydrophobicContact CE2-CD1 4.36Å; F666-L670 HydrophobicContact CE2-CD2 3.96Å; F666-L670 HydrophobicContact CE2-CG 4.06Å; F666-L670 HydrophobicContact CZ-CD1 3.79Å; F666-L670 HydrophobicContact CZ-CD2 3.98Å; F666-L670 HydrophobicContact CZ-CG 3.98Å; F666-L670 WeakPolarHBondContact O-CG 3.46Å; F666-L670 PolarHBondContact O-N 3.27Å; L667-L670 PolarHBondContact O-N 3.32Å; L670-L673 PolarHBondContact O-N 3.23Å; L670-E674 PolarHBondContact O-N 3.29Å
671E89.6Confident88.6Confident3 Ų322.7 Ų22.71%0.01412%0.124CC..Hα-helixtrans-71.2-40.3177.8-160-173.9123.800112.9W475 Y567 L581 L667 C668 F669 L673 E674 R675W475-E671 HydrophobicContact CZ2-CB 4.41Å; Y567-E671 WeakPolarHBondContact CE2-OE2 3.41Å; Y567-E671 PolarHBondContact OH-OE1 3.35Å; Y567-E671 PolarHBondContact OH-OE2 3.47Å; L581-E671 HydrophobicContact CD2-CB 4.33Å; L667-E671 PolarHBondContact O-N 3.47Å; C668-E671 PolarHBondContact O-N 2.95Å; F669-E671 PolarHBondContact O-N 3.48Å; E671-L673 PolarHBondContact O-N 3.18Å; E671-E674 PolarHBondContact O-N 3.45Å; E671-R675 HydrophobicContact CG-CG 4.46Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.36Å; E671-R675 IonicContact OE1-CZ 3.13Å; E671-R675 IonicContact OE1-NE 2.69Å; E671-R675 PolarHBondContact OE1-NE 2.87Å; E671-R675 IonicContact OE1-NH2 2.87Å; E671-R675 PolarHBondContact OE1-NH2 3.35Å
672D89.7Confident88.1Confident0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-58.3-37.2173.9-171.122.6000111.1Y474 W475 C668 F669 E674 N676 F685 M686Y474-D672 HydrophobicContact CE1-CB 4.08Å; Y474-D672 WeakPolarHBondContact OH-CB 3.47Å; Y474-D672 PolarHBondContact OH-OD2 3.24Å; W475-D672 HydrophobicContact CH2-CB 3.99Å; W475-D672 HydrophobicContact CZ3-CB 4.43Å; C668-D672 VanDerWaalsContact O-CB 3.29Å; C668-D672 WeakPolarHBondContact O-CB 3.41Å; C668-D672 PolarHBondContact O-N 2.97Å; F669-D672 PolarHBondContact O-N 3.11Å; D672-E674 VanDerWaalsContact C-N 3.32Å; D672-E674 PolarHBondContact O-N 2.87Å; D672-N676 WeakPolarHBondContact O-CB 3.47Å; D672-N676 PolarHBondContact O-N 3.39Å; D672-N676 PolarHBondContact OD1-ND2 3.11Å; D672-F685 PolarHBondContact OD1-N 2.72Å; D672-F685 PolarHBondContact OD2-N 3.25Å; D672-M686 PolarHBondContact OD2-N 3.38Å
673L86.4Confident87.9Confident40 Ų4028.9 Ų28.921%0.20915%0.152CC..Hα-helixtrans-67.9-26.2174.2-73.9179000114.5F669 L670 E671 Y684 M686F669-L673 HydrophobicContact CD2-CD1 4.46Å; F669-L673 HydrophobicContact CD2-CG 4.32Å; F669-L673 HydrophobicContact CE1-CD1 3.8Å; F669-L673 HydrophobicContact CE2-CD1 3.7Å; F669-L673 HydrophobicContact CE2-CD2 4.13Å; F669-L673 HydrophobicContact CE2-CG 3.79Å; F669-L673 HydrophobicContact CZ-CD1 3.33Å; F669-L673 HydrophobicContact CZ-CD2 4.48Å; F669-L673 HydrophobicContact CZ-CG 3.98Å; F669-L673 WeakPolarHBondContact O-CG 3.48Å; F669-L673 PolarHBondContact O-N 3.19Å; L670-L673 PolarHBondContact O-N 3.23Å; E671-L673 PolarHBondContact O-N 3.18Å; L673-Y684 HydrophobicContact CD2-CE1 4.14Å; L673-M686 HydrophobicContact CD2-CE 3.66Å; L673-M686 HydrophobicContact CG-CE 4.19Å
674E87.5Confident87.6Confident40 Ų4028.7 Ų28.719%0.18715%0.15CC..Hα-helixtrans-85.7-37.6177.6-71.4-174.9-175.500112P13 Q14 L581 R584 L670 E671 D672P13-E674 WeakPolarHBondContact CA-OE2 3.42Å; P13-E674 HydrophobicContact CB-CB 4.23Å; P13-E674 HydrophobicContact CB-CG 4.19Å; Q14-E674 HydrophobicContact CB-CB 4.45Å; Q14-E674 PolarHBondContact N-OE2 3.11Å; Q14-E674 CarbonylContact O-C 3.22Å; L581-E674 WeakPolarHBondContact CD1-OE1 3.21Å; R584-E674 IonicContact CZ-OE1 2.81Å; R584-E674 IonicContact CZ-OE2 3.73Å; R584-E674 IonicContact NE-OE1 2.87Å; R584-E674 PolarHBondContact NE-OE1 3.26Å; R584-E674 IonicContact NH1-OE1 3.11Å; R584-E674 IonicContact NH1-OE2 3.74Å; R584-E674 IonicContact NH2-OE1 2.71Å; R584-E674 PolarHBondContact NH2-OE1 2.78Å; R584-E674 IonicContact NH2-OE2 2.72Å; R584-E674 PolarHBondContact NH2-OE2 3.4Å; L670-E674 PolarHBondContact O-N 3.29Å; E671-E674 PolarHBondContact O-N 3.45Å; D672-E674 VanDerWaalsContact C-N 3.32Å; D672-E674 PolarHBondContact O-N 2.87Å
675R87.2Confident87.2Confident13 Ų1330.6 Ų30.65%0.04916%0.159CC..Hα-helixtrans-82.5-39.8-175.6-69.8177.1175.5-117.714.6113.5Q14 Y16 F20 Y567 E671Q14-R675 HydrophobicContact CB-CG 4.09Å; Q14-R675 HydrophobicContact CG-CG 4.04Å; Y16-R675 WeakPolarHBondContact CB-O 3.29Å; F20-R675 VanDerWaalsContact CG-NH1 3.33Å; Y567-R675 VanDerWaalsContact CE1-NH2 3.34Å; Y567-R675 PolarHBondContact OH-NH2 2.88Å; E671-R675 HydrophobicContact CG-CG 4.46Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.36Å; E671-R675 IonicContact OE1-CZ 3.13Å; E671-R675 IonicContact OE1-NE 2.69Å; E671-R675 PolarHBondContact OE1-NE 2.87Å; E671-R675 IonicContact OE1-NH2 2.87Å; E671-R675 PolarHBondContact OE1-NH2 3.35Å
676N87.9Confident86.8Confident11 Ų1130.6 Ų30.66%0.05916%0.159CC..  trans-109.7144.5-168.7-64.7-48.7000111Y16 D672 R682 Y684Y16-N676 WeakPolarHBondContact CD2-OD1 3.5Å; D672-N676 WeakPolarHBondContact O-CB 3.47Å; D672-N676 PolarHBondContact O-N 3.39Å; D672-N676 PolarHBondContact OD1-ND2 3.11Å; N676-R682 HydrophobicContact CB-CB 4.49Å; N676-Y684 HydrophobicContact CB-CD1 3.88Å; N676-Y684 HydrophobicContact CB-CE1 4.17Å; N676-Y684 WeakPolarHBondContact O-CE1 3.34Å; N676-Y684 PolarHBondContact O-OH 3.31Å
677D85.3Confident86.3Confident88 Ų8831.2 Ų31.247%0.47116%0.164SC..  trans-111.9-10179.363.75.9000112.9S679 R682 Y684D677-S679 WeakPolarHBondContact OD1-CB 3.41Å; D677-S679 PolarHBondContact OD1-N 3.48Å; D677-S679 PolarHBondContact OD1-OG 3.26Å; D677-R682 PolarHBondContact N-O 2.94Å; D677-R682 WeakPolarHBondContact OD1-CB 3.13Å; D677-Y684 VanDerWaalsContact C-CE2 3.46Å; D677-Y684 WeakPolarHBondContact O-CE2 3.43Å; D677-Y684 PolarHBondContact O-OH 2.58Å
678G82.4Confident85.7Confident0 Ų034.8 Ų34.80%019%0.189CC..SBendtrans918.1-176.900000113.7R682 N698 K699G678-R682 WeakPolarHBondContact CA-O 3.13Å; G678-R682 PolarHBondContact N-O 3.23Å; G678-N698 CarbonylContact O-C 3.57Å; G678-N698 VanDerWaalsContact O-CA 3.28Å; G678-N698 WeakPolarHBondContact O-CA 3.42Å; G678-K699 PolarHBondContact O-N 3.04Å
679S84.2Confident84.9Confident26 Ų2637.4 Ų37.418%0.18221%0.206CC..SBendtrans-65.2166.7168.360.20000111.9D677 E681 R682D677-S679 WeakPolarHBondContact OD1-CB 3.41Å; D677-S679 PolarHBondContact OD1-N 3.48Å; D677-S679 PolarHBondContact OD1-OG 3.26Å; S679-E681 PolarHBondContact O-N 3.38Å; S679-R682 CarbonylContact O-C 3.58Å; S679-R682 VanDerWaalsContact O-C 3.22Å; S679-R682 PolarHBondContact O-N 3.48Å; S679-R682 WeakPolarHBondContact OG-CB 3.43Å; S679-R682 PolarHBondContact OG-N 3.31Å
680A80.5Confident84.3Confident66 Ų6637.4 Ų37.455%0.54521%0.206SC..SBendtrans-61.5-31.9175.300000111.9A701A680-A701 HydrophobicContact CB-CB 4.21Å
681E81.1Confident84Confident150 Ų15039 Ų3970%0.70121%0.213SC*.SBendtrans-77.4-33.1175.7-62.7177.1-173.100112.3Y16 S679 P683Y16-E681 PolarHBondContact OH-O 3.35Å; S679-E681 PolarHBondContact O-N 3.38Å; E681-P683 VanDerWaalsContact C-CD 3.45Å; E681-P683 WeakPolarHBondContact O-CD 3.45Å
682R84.6Confident83.5Confident96 Ų9647.2 Ų47.236%0.36225%0.249SC..SBendtrans-12765.1-175.7-41.9-175.3177174.51.6112.1Y16 N676 D677 G678 S679Y16-R682 HydrophobicContact CD1-CG 4.12Å; Y16-R682 HydrophobicContact CD2-CB 3.85Å; Y16-R682 HydrophobicContact CD2-CG 3.58Å; Y16-R682 HydrophobicContact CE1-CG 4.05Å; Y16-R682 HydrophobicContact CE2-CB 3.71Å; Y16-R682 HydrophobicContact CE2-CG 3.5Å; Y16-R682 HydrophobicContact CG-CG 3.89Å; N676-R682 HydrophobicContact CB-CB 4.49Å; D677-R682 PolarHBondContact N-O 2.94Å; D677-R682 WeakPolarHBondContact OD1-CB 3.13Å; G678-R682 WeakPolarHBondContact CA-O 3.13Å; G678-R682 PolarHBondContact N-O 3.23Å; S679-R682 CarbonylContact O-C 3.58Å; S679-R682 VanDerWaalsContact O-C 3.22Å; S679-R682 PolarHBondContact O-N 3.48Å; S679-R682 WeakPolarHBondContact OG-CB 3.43Å; S679-R682 PolarHBondContact OG-N 3.31Å
683P86.2Confident82.8Confident36 Ų3650.7 Ų50.723%0.23427%0.266CS..  trans-72.2144.7-177.830.2-35.3000111.4E681 F685E681-P683 VanDerWaalsContact C-CD 3.45Å; E681-P683 WeakPolarHBondContact O-CD 3.45Å; P683-F685 WeakPolarHBondContact O-CD2 3.43Å
684Y87.1Confident82.3Confident11 Ų1150.7 Ų50.74%0.04327%0.266CS..  trans-69.8132.8169.1-64.4-71000111.2L673 N676 D677 M686 K691 K696 N698L673-Y684 HydrophobicContact CD2-CE1 4.14Å; N676-Y684 HydrophobicContact CB-CD1 3.88Å; N676-Y684 HydrophobicContact CB-CE1 4.17Å; N676-Y684 WeakPolarHBondContact O-CE1 3.34Å; N676-Y684 PolarHBondContact O-OH 3.31Å; D677-Y684 VanDerWaalsContact C-CE2 3.46Å; D677-Y684 WeakPolarHBondContact O-CE2 3.43Å; D677-Y684 PolarHBondContact O-OH 2.58Å; Y684-M686 HydrophobicContact CD1-CE 3.41Å; Y684-M686 VanDerWaalsContact CD1-CE 3.41Å; Y684-M686 HydrophobicContact CE1-CE 4.06Å; Y684-M686 HydrophobicContact CG-CE 3.79Å; Y684-K691 PolarHBondContact O-NZ 3.4Å; Y684-K696 HydrophobicContact CD2-CB 4.45Å; Y684-K696 HydrophobicContact CE2-CB 4.11Å; Y684-K696 HydrophobicContact CE2-CD 4.34Å; Y684-N698 WeakPolarHBondContact CB-OD1 3.29Å; Y684-N698 VanDerWaalsContact CD2-OD1 3.32Å; Y684-N698 WeakPolarHBondContact CD2-OD1 3.41Å; Y684-N698 PolarHBondContact N-OD1 3.41Å; Y684-N698 PolarHBondContact O-ND2 3.17Å; Y684-N698 VanDerWaalsContact O-ND2 3.11Å
685F85.9Confident81.8Confident40 Ų4055.9 Ų55.918%0.17530%0.296CS..  trans-81.6-21.5177.4-73.8-106.9000112.5Y474 W475 L477 D672 P683Y474-F685 HydrophobicContact CE1-CB 3.99Å; W475-F685 HydrophobicContact CE3-CB 4.33Å; W475-F685 HydrophobicContact CE3-CD1 4.04Å; W475-F685 AromaticContact CE3-CD2 3.97Å; W475-F685 HydrophobicContact CE3-CD2 3.97Å; W475-F685 HydrophobicContact CE3-CE1 4.31Å; W475-F685 HydrophobicContact CE3-CE2 4.29Å; W475-F685 AromaticContact CE3-CG 3.85Å; W475-F685 HydrophobicContact CE3-CG 3.85Å; W475-F685 HydrophobicContact CE3-CZ 4.45Å; W475-F685 HydrophobicContact CZ3-CB 4.47Å; W475-F685 AromaticContact CZ3-CD2 3.85Å; W475-F685 HydrophobicContact CZ3-CD2 3.85Å; W475-F685 HydrophobicContact CZ3-CE2 4.26Å; W475-F685 HydrophobicContact CZ3-CG 4.11Å; W475-F685 WeakPolarHBondContact O-CD1 3.49Å; W475-F685 WeakPolarHBondContact O-CE1 3.2Å; L477-F685 HydrophobicContact CD1-CE1 4.07Å; L477-F685 HydrophobicContact CD1-CZ 4.29Å; L477-F685 HydrophobicContact CD2-CD1 3.59Å; L477-F685 HydrophobicContact CD2-CE1 3.52Å; L477-F685 HydrophobicContact CD2-CG 4.24Å; L477-F685 HydrophobicContact CD2-CZ 4.08Å; L477-F685 HydrophobicContact CG-CD1 3.96Å; L477-F685 HydrophobicContact CG-CE1 3.48Å; L477-F685 VanDerWaalsContact CG-CE1 3.48Å; L477-F685 HydrophobicContact CG-CZ 4.16Å; D672-F685 PolarHBondContact OD1-N 2.72Å; D672-F685 PolarHBondContact OD2-N 3.25Å; P683-F685 WeakPolarHBondContact O-CD2 3.43Å
686M84.3Confident81.4Confident5 Ų559.3 Ų59.33%0.02531%0.311CS..SBendtrans-56.9156176.979.6-172.971.800113.4Y474 F669 D672 L673 Y684 L690 K691 L694Y474-M686 WeakPolarHBondContact OH-CB 3.29Å; F669-M686 HydrophobicContact CD2-CB 4.38Å; F669-M686 HydrophobicContact CD2-CE 3.92Å; F669-M686 HydrophobicContact CD2-SD 4.12Å; F669-M686 HydrophobicContact CE2-CE 3.8Å; F669-M686 HydrophobicContact CE2-SD 3.82Å; D672-M686 PolarHBondContact OD2-N 3.38Å; L673-M686 HydrophobicContact CD2-CE 3.66Å; L673-M686 HydrophobicContact CG-CE 4.19Å; Y684-M686 HydrophobicContact CD1-CE 3.41Å; Y684-M686 VanDerWaalsContact CD1-CE 3.41Å; Y684-M686 HydrophobicContact CE1-CE 4.06Å; Y684-M686 HydrophobicContact CG-CE 3.79Å; M686-L690 HydrophobicContact CB-CD2 4.01Å; M686-L690 HydrophobicContact CG-CB 4.41Å; M686-L690 HydrophobicContact CG-CD2 4.49Å; M686-L690 HydrophobicContact SD-CB 4.46Å; M686-L690 HydrophobicContact SD-CD2 4.28Å; M686-L690 HydrophobicContact SD-CG 4.29Å; M686-K691 HydrophobicContact CG-CD 4.48Å; M686-K691 HydrophobicContact CG-CG 3.74Å; M686-K691 WeakPolarHBondContact O-CE 3.36Å; M686-K691 PolarHBondContact O-NZ 3.06Å; M686-K691 HydrophobicContact SD-CG 4.03Å; M686-L694 HydrophobicContact SD-CD1 4.23Å
687S81.1Confident80.8Confident24 Ų2463.7 Ų63.717%0.16834%0.338CS..  trans-65.9159.3-175.983.50000113.4E347 T689 L690 K691E347-S687 VanDerWaalsContact CD-OG 3.22Å; E347-S687 WeakPolarHBondContact CG-OG 3.19Å; E347-S687 WeakPolarHBondContact OE1-CB 3.48Å; E347-S687 PolarHBondContact OE1-OG 3.19Å; S687-T689 PolarHBondContact O-N 3.49Å; S687-L690 PolarHBondContact O-N 3.31Å; S687-L690 PolarHBondContact OG-N 3.18Å; S687-K691 WeakPolarHBondContact O-CB 3.4Å; S687-K691 PolarHBondContact O-N 2.93Å
688S78.6Confident80.5Confident76 Ų7662 Ų6253%0.53133%0.329SS..Hα-helixtrans-61.8-32.8178.457.70000112.6K692S688-K692 WeakPolarHBondContact O-CG 3.41Å; S688-K692 PolarHBondContact O-N 3.47Å
689T75.4Confident80.2Confident56 Ų5669.3 Ų69.334%0.34436%0.361SS..Hα-helixtrans-64.4-45.7173.7-55.70000111.8A343 S687 K692 L693A343-T689 HydrophobicContact CB-CG2 4.36Å; S687-T689 PolarHBondContact O-N 3.49Å; T689-K692 PolarHBondContact O-N 3.22Å; T689-L693 WeakPolarHBondContact O-CB 3.33Å; T689-L693 PolarHBondContact O-N 3.5Å
690L77.1Confident79Confident4 Ų477.6 Ų77.62%0.02139%0.394CS..Hα-helixtrans-68.7-39.2179.7-16364.9000111.6I340 A343 L344 F669 M686 S687 L693 L694I340-L690 HydrophobicContact CG2-CD1 4.45Å; A343-L690 HydrophobicContact CB-CD1 4.27Å; L344-L690 HydrophobicContact CD2-CD1 4.34Å; L344-L690 HydrophobicContact CD2-CD2 3.9Å; L344-L690 HydrophobicContact CG-CD1 4.39Å; F669-L690 HydrophobicContact CD2-CD2 3.38Å; F669-L690 HydrophobicContact CD2-CG 4.41Å; F669-L690 HydrophobicContact CE2-CD2 3.57Å; F669-L690 HydrophobicContact CE2-CG 4.14Å; F669-L690 HydrophobicContact CG-CD2 3.99Å; F669-L690 HydrophobicContact CZ-CD2 4.31Å; M686-L690 HydrophobicContact CB-CD2 4.01Å; M686-L690 HydrophobicContact CG-CB 4.41Å; M686-L690 HydrophobicContact CG-CD2 4.49Å; M686-L690 HydrophobicContact SD-CB 4.46Å; M686-L690 HydrophobicContact SD-CD2 4.28Å; M686-L690 HydrophobicContact SD-CG 4.29Å; S687-L690 PolarHBondContact O-N 3.31Å; S687-L690 PolarHBondContact OG-N 3.18Å; L690-L693 PolarHBondContact O-N 3.44Å; L690-L694 HydrophobicContact CD1-CD1 4.29Å; L690-L694 HydrophobicContact CG-CD1 3.91Å; L690-L694 WeakPolarHBondContact O-CG 3.42Å; L690-L694 PolarHBondContact O-N 3.02Å
691K81.9Confident77.6Confident35 Ų3577.8 Ų77.815%0.15240%0.395CS..Hα-helixtrans-52.6-53.9170.7-94.9-179.4-76.1-1450111.9Y684 M686 S687 L693 L694 N695 K696 N698Y684-K691 PolarHBondContact O-NZ 3.4Å; M686-K691 HydrophobicContact CG-CD 4.48Å; M686-K691 HydrophobicContact CG-CG 3.74Å; M686-K691 WeakPolarHBondContact O-CE 3.36Å; M686-K691 PolarHBondContact O-NZ 3.06Å; M686-K691 HydrophobicContact SD-CG 4.03Å; S687-K691 WeakPolarHBondContact O-CB 3.4Å; S687-K691 PolarHBondContact O-N 2.93Å; K691-L693 PolarHBondContact O-N 3.2Å; K691-L694 PolarHBondContact O-N 3.02Å; K691-N695 PolarHBondContact O-N 3.35Å; K691-N695 VanDerWaalsContact O-N 3.12Å; K691-K696 CarbonylContact C-O 3.47Å; K691-K696 WeakPolarHBondContact CA-O 3.23Å; K691-K696 WeakPolarHBondContact CB-O 3.29Å; K691-K696 WeakPolarHBondContact CG-O 2.93Å; K691-K696 PolarHBondContact O-N 3.02Å; K691-N698 PolarHBondContact NZ-ND2 3.16Å
692K79.1Confident75.7Confident175 Ų17575.1 Ų75.176%0.76140%0.399SS*.Hα-helixtrans-59.1-43.8177.5-73.7179-179.9-173.70112.4S688 T689 L694 N695S688-K692 WeakPolarHBondContact O-CG 3.41Å; S688-K692 PolarHBondContact O-N 3.47Å; T689-K692 PolarHBondContact O-N 3.22Å; K692-L694 VanDerWaalsContact C-N 3.29Å; K692-L694 PolarHBondContact O-N 2.83Å; K692-N695 PolarHBondContact O-N 3.31Å
693L75.8Confident73.8Confident72 Ų7280 Ų8038%0.37743%0.426SS..Hα-helixtrans-66.7-30.5-177-169.966.5000113.3L339 I340 A343 T689 L690 K691L339-L693 HydrophobicContact CB-CD1 4.4Å; I340-L693 VanDerWaalsContact CA-CD2 3.49Å; I340-L693 HydrophobicContact CB-CD2 4.01Å; I340-L693 HydrophobicContact CG1-CD2 3.47Å; I340-L693 VanDerWaalsContact CG1-CD2 3.47Å; I340-L693 HydrophobicContact CG1-CG 4.12Å; A343-L693 HydrophobicContact CB-CD2 4.06Å; T689-L693 WeakPolarHBondContact O-CB 3.33Å; T689-L693 PolarHBondContact O-N 3.5Å; L690-L693 PolarHBondContact O-N 3.44Å; K691-L693 PolarHBondContact O-N 3.2Å
694L75.8Confident71.4Confident40 Ų4087 Ų8721%0.20948%0.476CS..THydrogen-bonded Turntrans-96.23.3179.2-64.3168.9000113.4F669 M686 L690 K691 K692 K696F669-L694 HydrophobicContact CE2-CD1 3.28Å; F669-L694 HydrophobicContact CZ-CD1 3.24Å; M686-L694 HydrophobicContact SD-CD1 4.23Å; L690-L694 HydrophobicContact CD1-CD1 4.29Å; L690-L694 HydrophobicContact CG-CD1 3.91Å; L690-L694 WeakPolarHBondContact O-CG 3.42Å; L690-L694 PolarHBondContact O-N 3.02Å; K691-L694 PolarHBondContact O-N 3.02Å; K692-L694 VanDerWaalsContact C-N 3.29Å; K692-L694 PolarHBondContact O-N 2.83Å; L694-K696 VanDerWaalsContact C-N 3.27Å; L694-K696 HydrophobicContact CB-CG 4.13Å; L694-K696 PolarHBondContact O-N 2.91Å
695N76.6Confident70.7Confident149 Ų14990.9 Ų90.980%0.79750%0.498SS*.THydrogen-bonded Turntrans52.944.3-173-157.122000112.7K691 K692K691-N695 PolarHBondContact O-N 3.35Å; K691-N695 VanDerWaalsContact O-N 3.12Å; K692-N695 PolarHBondContact O-N 3.31Å
696K79.1Confident69.8Low86 Ų8693.5 Ų93.537%0.37452%0.515SS..  trans-116138.1175.7-65.8-65.4-171.9169.30109.3Y684 K691 L694Y684-K696 HydrophobicContact CD2-CB 4.45Å; Y684-K696 HydrophobicContact CE2-CB 4.11Å; Y684-K696 HydrophobicContact CE2-CD 4.34Å; K691-K696 CarbonylContact C-O 3.47Å; K691-K696 WeakPolarHBondContact CA-O 3.23Å; K691-K696 WeakPolarHBondContact CB-O 3.29Å; K691-K696 WeakPolarHBondContact CG-O 2.93Å; K691-K696 PolarHBondContact O-N 3.02Å; L694-K696 VanDerWaalsContact C-N 3.27Å; L694-K696 HydrophobicContact CB-CG 4.13Å; L694-K696 PolarHBondContact O-N 2.91Å
697T74.8Confident69Low102 Ų10298.4 Ų98.463%0.62654%0.542SS*.  trans-136.4146.1178.745.20000110.5
698N78.9Confident68.3Low54 Ų54102.8 Ų102.829%0.28956%0.564SS.*PPolyproline II helixtrans-80.1125.1165.6-67.7-7000107.1G678 Y684 K691G678-N698 CarbonylContact O-C 3.57Å; G678-N698 VanDerWaalsContact O-CA 3.28Å; G678-N698 WeakPolarHBondContact O-CA 3.42Å; Y684-N698 WeakPolarHBondContact CB-OD1 3.29Å; Y684-N698 VanDerWaalsContact CD2-OD1 3.32Å; Y684-N698 WeakPolarHBondContact CD2-OD1 3.41Å; Y684-N698 PolarHBondContact N-OD1 3.41Å; Y684-N698 PolarHBondContact O-ND2 3.17Å; Y684-N698 VanDerWaalsContact O-ND2 3.11Å; K691-N698 PolarHBondContact NZ-ND2 3.16Å
699K75.9Confident67.7Low153 Ų153104.5 Ų104.567%0.66557%0.566SS**PPolyproline II helixtrans-65132.1172.7-62.4-178.5-178.1178.10107.7G678G678-K699 PolarHBondContact O-N 3.04Å
700K59.3Low67.2Low199 Ų199107.7 Ų107.787%0.86558%0.581SS**PPolyproline II helixtrans-62.2140.2170.4-72.8-174.3175-173.50108A702K700-A702 PolarHBondContact O-N 3.49Å
701A50.4Low66.5Low70 Ų70115.1 Ų115.158%0.57962%0.621SS**PPolyproline II helixtrans-56.8132.8167.500000107.7A680 E703A680-A701 HydrophobicContact CB-CB 4.21Å; A701-E703 PolarHBondContact O-N 3.27Å; A701-E703 VanDerWaalsContact O-N 3.13Å
702A42.9Very low65.3Low94 Ų94121.3 Ų121.378%0.77766%0.657SS**PPolyproline II helixtrans-60.1118.4169.500000106.6K700 S704K700-A702 PolarHBondContact O-N 3.49Å; A702-S704 PolarHBondContact O-N 3.29Å
703E43Very low64.2Low199 Ų199116.8 Ų116.893%0.9365%0.648SS**  trans-63.3106.7168.9-71.9170.1179.600106A701A701-E703 PolarHBondContact O-N 3.27Å; A701-E703 VanDerWaalsContact O-N 3.13Å
704S37.5Very low63.1Low184 Ų184120.9 Ų120.9100%1.28767%0.672SS**  trans-91.70171.862.30000110.1A702A702-S704 PolarHBondContact O-N 3.29Å

Retrieved 704 of 704 residues in 1077.2 ms (Link to these results)

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