A0A096N4L2_PAPAN Loading...

Tyrosine-protein kinase

AlphaFold DB (A0A2K5P2X2), UniProt , Accession A0A096N4L2, Species PAPAN (Papio anubis, Olive baboon), Gene BMX, Length 679 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
1M36.9Very low62.3Low240 Ų240117.9 Ų117.9100%1.18262%0.615SS**  081.70-75.9175.417400106.9
2D40.2Very low65Low146 Ų146115.5 Ų115.578%0.78160%0.599SS**  trans-150.611.3-179.1-103.5-26.4000115.1N4D2-N4 VanDerWaalsContact C-N 3.34Å; D2-N4 PolarHBondContact O-N 3.14Å
3D38.9Very low67.2Low168 Ų168110 Ų11090%0.89857%0.568SS**THydrogen-bonded Turntrans-875.8-178.9-98.9-16.1000114.7
4N46Very low69.1Low135 Ų135106.1 Ų106.172%0.72255%0.548SS*.THydrogen-bonded Turntrans-116.16.8-170.5-144.414.1000115D2D2-N4 VanDerWaalsContact C-N 3.34Å; D2-N4 PolarHBondContact O-N 3.14Å
5M52.1Low70.8Confident125 Ų12599.1 Ų99.162%0.61651%0.512SS*.SBendtrans-87.1-21.2178.3-83.4-77-178.800113.7
6D54.2Low72.2Confident87 Ų8795.2 Ų95.247%0.46549%0.492SS..THydrogen-bonded Turntrans-85.8-9.9-173.7-84.9-12.5000115T40D6-T40 HydrophobicContact CB-CG2 4.13Å
7T62.1Low73.5Confident102 Ų10291.1 Ų91.163%0.62647%0.47SS*.THydrogen-bonded Turntrans-103.4-5.7-179.346.20000113.8S9T7-S9 PolarHBondContact O-N 2.95Å
8K82.3Confident74.4Confident157 Ų15786.3 Ų86.368%0.68345%0.445SS*.SBendtrans-71.3127.8178.9-168.7174.4-179.51790110.5I10K8-I10 PolarHBondContact O-N 3.06Å
9S86.8Confident74.6Confident48 Ų4883.7 Ų83.734%0.33644%0.435SS..  trans-64124.3174.1-174.60000110.1T7T7-S9 PolarHBondContact O-N 2.95Å
10I91.6Very high74.3Confident70 Ų7082.8 Ų82.836%0.35943%0.428SS..SBendtrans-84.4-41.6174.1-60.2174000109.5K8 L37 K39 E113K8-I10 PolarHBondContact O-N 3.06Å; I10-L37 HydrophobicContact CB-CD2 4.48Å; I10-L37 HydrophobicContact CB-CG 4.25Å; I10-L37 HydrophobicContact CD1-CG 4.48Å; I10-L37 HydrophobicContact CG2-CD2 4.34Å; I10-L37 PolarHBondContact N-O 2.79Å; I10-K39 HydrophobicContact CD1-CG 3.91Å; I10-E113 HydrophobicContact CD1-CG 3.9Å
11L94.3Very high73.7Confident19 Ų1980.4 Ų80.410%0.09942%0.415CS..EExtended strand (participates in β ladder)trans-150.7136-177.5-164.368000109.7V36 L37 Q105 W106 A109L11-V36 WeakPolarHBondContact O-CA 3.45Å; L11-L37 HydrophobicContact CB-CB 4.04Å; L11-L37 HydrophobicContact CB-CD2 4.37Å; L11-L37 PolarHBondContact N-O 3.4Å; L11-L37 PolarHBondContact O-N 2.91Å; L11-Q105 HydrophobicContact CD1-CG 4.04Å; L11-Q105 HydrophobicContact CD2-CG 4.35Å; L11-W106 HydrophobicContact CB-CH2 4.24Å; L11-W106 HydrophobicContact CB-CZ2 4.32Å; L11-W106 HydrophobicContact CD2-CB 4.36Å; L11-W106 HydrophobicContact CD2-CD2 3.27Å; L11-W106 HydrophobicContact CD2-CE3 3.68Å; L11-W106 HydrophobicContact CD2-CG 3.62Å; L11-W106 HydrophobicContact CD2-CH2 4.07Å; L11-W106 HydrophobicContact CD2-CZ2 3.71Å; L11-W106 HydrophobicContact CD2-CZ3 4.06Å; L11-W106 HydrophobicContact CG-CD2 4.25Å; L11-W106 HydrophobicContact CG-CH2 4.14Å; L11-W106 HydrophobicContact CG-CZ2 3.74Å; L11-A109 HydrophobicContact CD2-CB 4.18Å
12E94.2Very high74.7Confident89 Ų8979.1 Ų79.142%0.41640%0.403SS..EExtended strand (participates in β ladder)trans-141.5122179.4-179.9161.5-165.200110L34 F35 V36E12-L34 HydrophobicContact CG-CD1 3.73Å; E12-L34 HydrophobicContact CG-CG 4.2Å; E12-L34 WeakPolarHBondContact OE1-CD2 3.35Å; E12-F35 VanDerWaalsContact CA-O 3.26Å; E12-F35 WeakPolarHBondContact CA-O 3.36Å; E12-V36 HydrophobicContact CG-CG2 4Å
13E94.6Very high75.4Confident44 Ų4479.7 Ų79.721%0.20640%0.399CS..EExtended strand (participates in β ladder)trans-154.6150.9-177.2-164.9-179.7162.100111.1L15 F35 S98 S102 W106E13-L15 HydrophobicContact CB-CD2 4.28Å; E13-L15 HydrophobicContact CB-CG 4.38Å; E13-L15 HydrophobicContact CG-CD2 4.05Å; E13-L15 PolarHBondContact O-N 3.12Å; E13-F35 PolarHBondContact N-O 3.47Å; E13-F35 VanDerWaalsContact N-O 3.09Å; E13-F35 PolarHBondContact O-N 3.16Å; E13-S98 PolarHBondContact OE1-OG 3.4Å; E13-S102 WeakPolarHBondContact OE1-CB 3.37Å; E13-S102 PolarHBondContact OE1-OG 3.34Å; E13-S102 PolarHBondContact OE2-OG 3.26Å; E13-W106 HydrophobicContact CB-CZ2 3.83Å; E13-W106 VanDerWaalsContact OE2-CD1 3.3Å; E13-W106 PolarHBondContact OE2-NE1 3.1Å
14L93.6Very high76Confident55 Ų5579.4 Ų79.429%0.28839%0.389SS..EExtended strand (participates in β ladder)trans-77.2117.4166-72168.1000109.9E32 L34 Y47L14-E32 HydrophobicContact CB-CG 4.26Å; L14-E32 HydrophobicContact CD2-CG 4.23Å; L14-L34 HydrophobicContact CD2-CB 3.96Å; L14-L34 HydrophobicContact CD2-CD1 4.2Å; L14-L34 HydrophobicContact CG-CD1 4.3Å; L14-Y47 HydrophobicContact CD1-CD1 3.7Å; L14-Y47 HydrophobicContact CD1-CE1 3.59Å; L14-Y47 HydrophobicContact CD2-CD1 3.49Å; L14-Y47 VanDerWaalsContact CD2-CD1 3.49Å; L14-Y47 HydrophobicContact CD2-CD2 4.25Å; L14-Y47 HydrophobicContact CD2-CE1 4.12Å; L14-Y47 HydrophobicContact CD2-CG 3.54Å; L14-Y47 HydrophobicContact CG-CD1 4.14Å; L14-Y47 HydrophobicContact CG-CE1 4.3Å
15L94.6Very high76.3Confident2 Ų281.3 Ų81.31%0.0140%0.396CS..EExtended strand (participates in β ladder)trans-125.8151.6177.7-53.1172.8000110.3E13 R33 F35 F84 V95 A97 W106E13-L15 HydrophobicContact CB-CD2 4.28Å; E13-L15 HydrophobicContact CB-CG 4.38Å; E13-L15 HydrophobicContact CG-CD2 4.05Å; E13-L15 PolarHBondContact O-N 3.12Å; L15-R33 PolarHBondContact N-O 2.87Å; L15-R33 PolarHBondContact O-N 2.83Å; L15-F35 HydrophobicContact CB-CD2 3.65Å; L15-F35 HydrophobicContact CB-CE2 3.9Å; L15-F35 HydrophobicContact CB-CG 4.49Å; L15-F35 HydrophobicContact CD1-CB 4Å; L15-F35 HydrophobicContact CD1-CD2 3.92Å; L15-F35 HydrophobicContact CD1-CG 3.95Å; L15-F35 HydrophobicContact CG-CD2 4.08Å; L15-F84 HydrophobicContact CD1-CZ 4.21Å; L15-V95 HydrophobicContact CB-CG1 3.59Å; L15-V95 HydrophobicContact CD1-CG1 3.58Å; L15-V95 HydrophobicContact CG-CG1 4.2Å; L15-A97 HydrophobicContact CD2-CB 4.38Å; L15-W106 HydrophobicContact CD1-CD2 3.93Å; L15-W106 HydrophobicContact CD1-CE3 4.47Å; L15-W106 HydrophobicContact CD1-CG 4.35Å; L15-W106 HydrophobicContact CD1-CH2 4.47Å; L15-W106 HydrophobicContact CD1-CZ2 3.91Å
16L93.7Very high76.4Confident36 Ų3677.6 Ų77.619%0.18838%0.383CS..EExtended strand (participates in β ladder)trans-84.2126175.2-17172.7000109.5Y30 R80 V95 Y96L16-Y30 HydrophobicContact CD2-CD1 4.11Å; L16-Y30 HydrophobicContact CD2-CG 4.42Å; L16-Y30 HydrophobicContact CG-CD1 4.45Å; L16-R80 HydrophobicContact CD2-CG 3.93Å; L16-V95 CarbonylContact O-C 3.54Å; L16-V95 WeakPolarHBondContact O-CA 3.47Å; L16-Y96 HydrophobicContact CB-CD2 4.49Å; L16-Y96 HydrophobicContact CD2-CD2 4.44Å; L16-Y96 PolarHBondContact N-O 3.36Å; L16-Y96 VanDerWaalsContact N-O 3.09Å; L16-Y96 WeakPolarHBondContact O-CD2 3.26Å; L16-Y96 PolarHBondContact O-N 3.44Å
17K93.2Very high76.6Confident26 Ų2678.8 Ų78.811%0.11340%0.395CS..EExtended strand (participates in β ladder)trans-106.4130.6-179.3178.4-176.4174.7-52.40111Y30 K31 R33 F35 Y44 L93K17-Y30 WeakPolarHBondContact O-CA 3.33Å; K17-K31 WeakPolarHBondContact CB-O 3.39Å; K17-K31 PolarHBondContact N-O 2.96Å; K17-K31 PolarHBondContact O-N 3.07Å; K17-R33 HydrophobicContact CB-CG 4.27Å; K17-R33 HydrophobicContact CD-CG 4.39Å; K17-F35 HydrophobicContact CB-CE2 4.13Å; K17-F35 HydrophobicContact CB-CZ 4.04Å; K17-F35 HydrophobicContact CD-CZ 4.25Å; K17-F35 HydrophobicContact CG-CZ 4.26Å; K17-Y44 HydrophobicContact CD-CD2 4.1Å; K17-Y44 HydrophobicContact CD-CE2 3.92Å; K17-L93 HydrophobicContact CD-CD1 4.13Å; K17-L93 VanDerWaalsContact CE-CD1 3.5Å; K17-L93 HydrophobicContact CG-CD1 3.89Å
18R89.4Confident76.9Confident5 Ų576.2 Ų76.22%0.01938%0.377CS..EExtended strand (participates in β ladder)trans-76.3141.6167.5-159165.5156.4-179.2-9.4111.4N28 Y30 Y94 Y96 F129R18-N28 PolarHBondContact NE-OD1 3.23Å; R18-N28 VanDerWaalsContact NH2-CG 3.29Å; R18-N28 PolarHBondContact NH2-ND2 2.79Å; R18-N28 VanDerWaalsContact NH2-ND2 3.11Å; R18-N28 PolarHBondContact NH2-OD1 3.46Å; R18-Y30 HydrophobicContact CB-CD1 4.37Å; R18-Y30 HydrophobicContact CB-CE1 4.15Å; R18-Y30 HydrophobicContact CG-CD1 4.32Å; R18-Y30 HydrophobicContact CG-CE1 3.78Å; R18-Y94 PolarHBondContact N-O 3.06Å; R18-Y96 HydrophobicContact CB-CE2 4.11Å; R18-F129 PolarHBondContact NH2-O 3.37Å
19S79.6Confident76.9Confident37 Ų3772.8 Ų72.826%0.25937%0.366SS..  trans-66.4144.1169.974.90000110.3Q21 N29S19-Q21 PolarHBondContact O-N 3.42Å; S19-N29 WeakPolarHBondContact CB-O 3.07Å; S19-N29 PolarHBondContact N-O 2.85Å; S19-N29 PolarHBondContact OG-N 3.39Å; S19-N29 VanDerWaalsContact OG-N 3.13Å
20Q67.3Low76.9Confident65 Ų6572.5 Ų72.530%0.30436%0.358SS..  trans-81.56.6-175.9-74.7178.9-32.500114Y88 L92 K142Q20-Y88 PolarHBondContact NE2-OH 3.5Å; Q20-L92 PolarHBondContact NE2-O 2.92Å; Q20-K142 PolarHBondContact O-NZ 3.19Å
21Q61.8Low76.8Confident32 Ų3274.1 Ų74.115%0.1536%0.363CS..  trans39.688.4-175.2-74.7179.2-31.400113.1S19 K23 S26 N28S19-Q21 PolarHBondContact O-N 3.42Å; Q21-K23 PolarHBondContact O-N 2.92Å; Q21-S26 WeakPolarHBondContact CG-O 3.47Å; Q21-S26 PolarHBondContact NE2-O 2.86Å; Q21-N28 PolarHBondContact NE2-OD1 3.35Å; Q21-N28 VanDerWaalsContact NE2-OD1 3.07Å
22K57.9Low76.7Confident213 Ų21378.6 Ų78.693%0.92638%0.383SS*.SBendtrans-72.1-15.2176.6-66.2-172.7178-174.90113.3
23K56.2Low76.7Confident158 Ų15876 Ų7669%0.68737%0.369SS*.SBendtrans-131.7144.7176.9-63.3-176.7178.7-176.40109.6Q21 M25 S26Q21-K23 PolarHBondContact O-N 2.92Å; K23-M25 VanDerWaalsContact C-N 3.26Å; K23-M25 PolarHBondContact O-N 3.22Å; K23-S26 PolarHBondContact O-N 3.28Å
24K51.7Low76.7Confident162 Ų16274.4 Ų74.470%0.70436%0.362SS*.THydrogen-bonded Turntrans-59.9-27.4-171.1-162.3174.9-179.7-178.80114.7
25M50.6Low76.8Confident176 Ų17671.9 Ų71.987%0.86735%0.349SS*.THydrogen-bonded Turntrans-106.96.4-175.6-62.6-63.8-67.700114.2K23K23-M25 VanDerWaalsContact C-N 3.26Å; K23-M25 PolarHBondContact O-N 3.22Å
26S54.6Low76.9Confident47 Ų4772.2 Ų72.233%0.32935%0.351SS..  trans-79.8134.7-177.7-66.50000111.2Q21 K23Q21-S26 WeakPolarHBondContact CG-O 3.47Å; Q21-S26 PolarHBondContact NE2-O 2.86Å; K23-S26 PolarHBondContact O-N 3.28Å
27P58.2Low77Confident112 Ų11270.5 Ų70.573%0.72734%0.342SS*.  trans-59.8147.2179.221.8-31.3000112.2N29P27-N29 PolarHBondContact O-N 3.39Å; P27-N29 VanDerWaalsContact O-N 3.13Å
28N69.6Low77.1Confident48 Ų4870.3 Ų70.326%0.25734%0.343SS..  trans-67108.7171.9-73.4-52000108.7R18 Q21 Y30R18-N28 PolarHBondContact NE-OD1 3.23Å; R18-N28 VanDerWaalsContact NH2-CG 3.29Å; R18-N28 PolarHBondContact NH2-ND2 2.79Å; R18-N28 VanDerWaalsContact NH2-ND2 3.11Å; R18-N28 PolarHBondContact NH2-OD1 3.46Å; Q21-N28 PolarHBondContact NE2-OD1 3.35Å; Q21-N28 VanDerWaalsContact NE2-OD1 3.07Å; N28-Y30 HydrophobicContact CB-CE2 3.85Å; N28-Y30 WeakPolarHBondContact O-CE2 3.48Å
29N81.8Confident77.1Confident84 Ų8475.1 Ų75.145%0.44936%0.364SS..  trans-99.9135.1177.9-167.2-14.4000108.8S19 P27S19-N29 WeakPolarHBondContact CB-O 3.07Å; S19-N29 PolarHBondContact N-O 2.85Å; S19-N29 PolarHBondContact OG-N 3.39Å; S19-N29 VanDerWaalsContact OG-N 3.13Å; P27-N29 PolarHBondContact O-N 3.39Å; P27-N29 VanDerWaalsContact O-N 3.13Å
30Y86.9Confident77.8Confident43 Ų4376.1 Ų76.117%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-113.2128-178.5-62.1-95000108.3L16 K17 R18 N28 R80 Y96L16-Y30 HydrophobicContact CD2-CD1 4.11Å; L16-Y30 HydrophobicContact CD2-CG 4.42Å; L16-Y30 HydrophobicContact CG-CD1 4.45Å; K17-Y30 WeakPolarHBondContact O-CA 3.33Å; R18-Y30 HydrophobicContact CB-CD1 4.37Å; R18-Y30 HydrophobicContact CB-CE1 4.15Å; R18-Y30 HydrophobicContact CG-CD1 4.32Å; R18-Y30 HydrophobicContact CG-CE1 3.78Å; N28-Y30 HydrophobicContact CB-CE2 3.85Å; N28-Y30 WeakPolarHBondContact O-CE2 3.48Å; Y30-R80 VanDerWaalsContact CD2-CZ 3.48Å; Y30-R80 VanDerWaalsContact CE2-NH1 3.25Å; Y30-Y96 HydrophobicContact CD1-CD2 4.41Å; Y30-Y96 AromaticContact CD1-CE2 3.87Å; Y30-Y96 HydrophobicContact CD1-CE2 3.87Å; Y30-Y96 HydrophobicContact CE1-CD2 4.49Å; Y30-Y96 AromaticContact CE1-CE2 3.58Å; Y30-Y96 HydrophobicContact CE1-CE2 3.58Å; Y30-Y96 AromaticContact CE1-CZ 3.73Å
31K89.1Confident79.1Confident103 Ų10375.2 Ų75.245%0.44837%0.366SS..EExtended strand (participates in β ladder)trans-134.3130.3-179.5-63-163.7176.9-167.90110.5K17 R33K17-K31 WeakPolarHBondContact CB-O 3.39Å; K17-K31 PolarHBondContact N-O 2.96Å; K17-K31 PolarHBondContact O-N 3.07Å; K31-R33 VanDerWaalsContact CD-NH2 3.31Å
32E92Very high80.7Confident113 Ų11373.7 Ų73.753%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-68.6134.1173.1-169175.8-114.800109.7L14L14-E32 HydrophobicContact CB-CG 4.26Å; L14-E32 HydrophobicContact CD2-CG 4.23Å
33R94Very high82.5Confident35 Ų3564 Ų6413%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-141.1143-178.4-65.3-66.3178.2-108.417.3109.3L15 K17 K31 F35 Y44 Y45L15-R33 PolarHBondContact N-O 2.87Å; L15-R33 PolarHBondContact O-N 2.83Å; K17-R33 HydrophobicContact CB-CG 4.27Å; K17-R33 HydrophobicContact CD-CG 4.39Å; K31-R33 VanDerWaalsContact CD-NH2 3.31Å; R33-F35 HydrophobicContact CB-CD2 4.12Å; R33-F35 HydrophobicContact CB-CE2 3.8Å; R33-F35 WeakPolarHBondContact O-CD2 3.25Å; R33-F35 PolarHBondContact O-N 3.38Å; R33-Y44 HydrophobicContact CG-CD2 4.44Å; R33-Y45 WeakPolarHBondContact CA-O 3.47Å; R33-Y45 WeakPolarHBondContact CD-O 3.34Å
34L94.8Very high84.3Confident11 Ų1157.7 Ų57.76%0.05829%0.29CS..EExtended strand (participates in β ladder)trans-78109.1169.7-177.868000108E12 L14 V36 Y44 Y45 Y47 R52E12-L34 HydrophobicContact CG-CD1 3.73Å; E12-L34 HydrophobicContact CG-CG 4.2Å; E12-L34 WeakPolarHBondContact OE1-CD2 3.35Å; L14-L34 HydrophobicContact CD2-CB 3.96Å; L14-L34 HydrophobicContact CD2-CD1 4.2Å; L14-L34 HydrophobicContact CG-CD1 4.3Å; L34-V36 HydrophobicContact CG-CG2 4.45Å; L34-Y44 CarbonylContact O-C 3.54Å; L34-Y44 VanDerWaalsContact O-CA 3.26Å; L34-Y44 WeakPolarHBondContact O-CA 3.49Å; L34-Y45 PolarHBondContact N-O 3.14Å; L34-Y45 VanDerWaalsContact N-O 3.13Å; L34-Y45 PolarHBondContact O-N 3.46Å; L34-Y47 HydrophobicContact CB-CD2 4.08Å; L34-Y47 HydrophobicContact CB-CG 4.39Å; L34-Y47 HydrophobicContact CD1-CD2 4.48Å; L34-Y47 HydrophobicContact CD2-CD2 3.75Å; L34-Y47 HydrophobicContact CD2-CE2 4.04Å; L34-Y47 HydrophobicContact CG-CD2 4.35Å; L34-R52 HydrophobicContact CD2-CB 3.93Å; L34-R52 HydrophobicContact CD2-CG 4.08Å
35F96.6Very high86.3Confident2 Ų252 Ų521%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-89.7137.3175.2-79.6-102.4000109.8E12 E13 L15 K17 R33 L42 S43 Y44 L93 V95 W106E12-F35 VanDerWaalsContact CA-O 3.26Å; E12-F35 WeakPolarHBondContact CA-O 3.36Å; E13-F35 PolarHBondContact N-O 3.47Å; E13-F35 VanDerWaalsContact N-O 3.09Å; E13-F35 PolarHBondContact O-N 3.16Å; L15-F35 HydrophobicContact CB-CD2 3.65Å; L15-F35 HydrophobicContact CB-CE2 3.9Å; L15-F35 HydrophobicContact CB-CG 4.49Å; L15-F35 HydrophobicContact CD1-CB 4Å; L15-F35 HydrophobicContact CD1-CD2 3.92Å; L15-F35 HydrophobicContact CD1-CG 3.95Å; L15-F35 HydrophobicContact CG-CD2 4.08Å; K17-F35 HydrophobicContact CB-CE2 4.13Å; K17-F35 HydrophobicContact CB-CZ 4.04Å; K17-F35 HydrophobicContact CD-CZ 4.25Å; K17-F35 HydrophobicContact CG-CZ 4.26Å; R33-F35 HydrophobicContact CB-CD2 4.12Å; R33-F35 HydrophobicContact CB-CE2 3.8Å; R33-F35 WeakPolarHBondContact O-CD2 3.25Å; R33-F35 PolarHBondContact O-N 3.38Å; F35-L42 HydrophobicContact CD1-CD1 4.16Å; F35-L42 HydrophobicContact CD1-CG 4.46Å; F35-S43 CarbonylContact C-O 3.58Å; F35-S43 WeakPolarHBondContact CA-O 3.33Å; F35-Y44 HydrophobicContact CD1-CD1 4.28Å; F35-Y44 HydrophobicContact CD1-CG 4.45Å; F35-Y44 AromaticContact CE1-CD1 3.73Å; F35-Y44 HydrophobicContact CE1-CD1 3.73Å; F35-Y44 HydrophobicContact CE1-CG 4.03Å; F35-Y44 HydrophobicContact CZ-CD1 4.22Å; F35-Y44 HydrophobicContact CZ-CG 4.19Å; F35-L93 HydrophobicContact CE1-CD2 4.2Å; F35-V95 HydrophobicContact CE1-CG2 4.08Å; F35-V95 HydrophobicContact CE2-CG1 4.19Å; F35-V95 HydrophobicContact CZ-CG1 4.13Å; F35-V95 HydrophobicContact CZ-CG2 3.89Å; F35-W106 HydrophobicContact CB-CH2 3.64Å; F35-W106 HydrophobicContact CB-CZ2 4.02Å; F35-W106 HydrophobicContact CB-CZ3 4.34Å
36V95.9Very high88.2Confident9 Ų947 Ų476%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-130.7116.7179.4-174.60000108L11 E12 L34 T38 S43 Y45L11-V36 WeakPolarHBondContact O-CA 3.45Å; E12-V36 HydrophobicContact CG-CG2 4Å; L34-V36 HydrophobicContact CG-CG2 4.45Å; V36-T38 HydrophobicContact CG1-CG2 4.46Å; V36-S43 PolarHBondContact N-O 3.29Å; V36-S43 PolarHBondContact O-N 2.79Å; V36-Y45 HydrophobicContact CB-CE2 4.09Å; V36-Y45 HydrophobicContact CG2-CD2 3.93Å; V36-Y45 HydrophobicContact CG2-CE2 3.71Å
37L96Very high89.6Confident0 Ų048.7 Ų48.70%024%0.239CC..EExtended strand (participates in β ladder)trans-95.4128.7174.4179.459.3000109.8I10 L11 L42 I61 W106 A109 L110I10-L37 HydrophobicContact CB-CD2 4.48Å; I10-L37 HydrophobicContact CB-CG 4.25Å; I10-L37 HydrophobicContact CD1-CG 4.48Å; I10-L37 HydrophobicContact CG2-CD2 4.34Å; I10-L37 PolarHBondContact N-O 2.79Å; L11-L37 HydrophobicContact CB-CB 4.04Å; L11-L37 HydrophobicContact CB-CD2 4.37Å; L11-L37 PolarHBondContact N-O 3.4Å; L11-L37 PolarHBondContact O-N 2.91Å; L37-L42 HydrophobicContact CB-CD1 4.31Å; L37-L42 HydrophobicContact CD1-CB 4.43Å; L37-L42 HydrophobicContact CD1-CD1 4.31Å; L37-I61 HydrophobicContact CD1-CD1 3.56Å; L37-W106 HydrophobicContact CB-CH2 4.26Å; L37-W106 HydrophobicContact CB-CZ3 3.93Å; L37-A109 HydrophobicContact CD2-CB 3.78Å; L37-L110 HydrophobicContact CD1-CD2 3.65Å; L37-L110 HydrophobicContact CD2-CD2 4.12Å; L37-L110 HydrophobicContact CD2-CG 4.25Å
38T94.8Very high90.6Very high21 Ų2149 Ų4913%0.12923%0.234CC..  trans-126170.2169.662.30000108.4V36 T40 N41V36-T38 HydrophobicContact CG1-CG2 4.46Å; T38-T40 PolarHBondContact O-N 2.82Å; T38-T40 VanDerWaalsContact O-N 3.15Å; T38-N41 PolarHBondContact N-O 2.81Å; T38-N41 PolarHBondContact OG1-N 2.8Å; T38-N41 PolarHBondContact OG1-O 3Å
39K91Very high90.9Very high107 Ų10755.3 Ų55.347%0.46526%0.259SS..SBendtrans-57.7-29.2176.5-70.5-168.9172.5-176.70113.3I10I10-K39 HydrophobicContact CD1-CG 3.91Å
40T92.4Very high90.5Very high58 Ų5859.1 Ų59.136%0.35628%0.277SS..SBendtrans-103.2-30.4-173.460.40000113.1D6 T38 E60 I61D6-T40 HydrophobicContact CB-CG2 4.13Å; T38-T40 PolarHBondContact O-N 2.82Å; T38-T40 VanDerWaalsContact O-N 3.15Å; T40-E60 WeakPolarHBondContact O-CA 3.1Å; T40-I61 PolarHBondContact O-N 2.78Å
41N95.1Very high90.1Very high46 Ų4664.8 Ų64.825%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-143.2143.2-171.3-70.3-85.3000113.4T38 S58 I59T38-N41 PolarHBondContact N-O 2.81Å; T38-N41 PolarHBondContact OG1-N 2.8Å; T38-N41 PolarHBondContact OG1-O 3Å; N41-S58 PolarHBondContact OD1-OG 2.8Å; N41-I59 CarbonylContact C-O 3.58Å; N41-I59 WeakPolarHBondContact CA-O 3.5Å
42L96.4Very high90Very high0 Ų067 Ų670%031%0.307CS..EExtended strand (participates in β ladder)trans-99.8105.3158.8177.865.2000108.9F35 L37 S58 I59 I61 I86 W106 L110F35-L42 HydrophobicContact CD1-CD1 4.16Å; F35-L42 HydrophobicContact CD1-CG 4.46Å; L37-L42 HydrophobicContact CB-CD1 4.31Å; L37-L42 HydrophobicContact CD1-CB 4.43Å; L37-L42 HydrophobicContact CD1-CD1 4.31Å; L42-S58 CarbonylContact O-C 3.58Å; L42-S58 WeakPolarHBondContact O-CA 3.47Å; L42-I59 PolarHBondContact N-O 3.06Å; L42-I59 PolarHBondContact O-N 2.86Å; L42-I61 HydrophobicContact CB-CD1 4.17Å; L42-I86 HydrophobicContact CD2-CD1 3.52Å; L42-I86 HydrophobicContact CD2-CG1 4.42Å; L42-W106 HydrophobicContact CD1-CH2 4.39Å; L42-W106 HydrophobicContact CD1-CZ3 3.72Å; L42-L110 HydrophobicContact CD1-CD2 4.48Å; L42-L110 HydrophobicContact CD2-CD2 4.15Å
43S95.2Very high89.7Confident9 Ų963.4 Ų63.46%0.06330%0.301CS..EExtended strand (participates in β ladder)trans-107.3151.3-179.7-76.30000111.8F35 V36 G57 S58F35-S43 CarbonylContact C-O 3.58Å; F35-S43 WeakPolarHBondContact CA-O 3.33Å; V36-S43 PolarHBondContact N-O 3.29Å; V36-S43 PolarHBondContact O-N 2.79Å; S43-G57 WeakPolarHBondContact CA-O 3.41Å; S43-S58 WeakPolarHBondContact OG-CB 3.46Å; S43-S58 PolarHBondContact OG-OG 3.45Å
44Y94.4Very high89.4Confident25 Ų2564.4 Ų64.410%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-136.1138.617354.7-95.2000112.7K17 R33 L34 F35 K56 G57 L93K17-Y44 HydrophobicContact CD-CD2 4.1Å; K17-Y44 HydrophobicContact CD-CE2 3.92Å; R33-Y44 HydrophobicContact CG-CD2 4.44Å; L34-Y44 CarbonylContact O-C 3.54Å; L34-Y44 VanDerWaalsContact O-CA 3.26Å; L34-Y44 WeakPolarHBondContact O-CA 3.49Å; F35-Y44 HydrophobicContact CD1-CD1 4.28Å; F35-Y44 HydrophobicContact CD1-CG 4.45Å; F35-Y44 AromaticContact CE1-CD1 3.73Å; F35-Y44 HydrophobicContact CE1-CD1 3.73Å; F35-Y44 HydrophobicContact CE1-CG 4.03Å; F35-Y44 HydrophobicContact CZ-CD1 4.22Å; F35-Y44 HydrophobicContact CZ-CG 4.19Å; Y44-K56 HydrophobicContact CD2-CB 3.83Å; Y44-K56 VanDerWaalsContact CE2-C 3.46Å; Y44-K56 HydrophobicContact CE2-CB 3.78Å; Y44-K56 PolarHBondContact O-N 2.89Å; Y44-G57 VanDerWaalsContact CE2-N 3.35Å; Y44-G57 VanDerWaalsContact CZ-CA 3.47Å; Y44-G57 PolarHBondContact N-O 2.86Å; Y44-G57 PolarHBondContact O-N 2.83Å; Y44-L93 HydrophobicContact CE1-CD2 4.4Å
45Y93Very high89.3Confident43 Ų4371.5 Ų71.517%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-122.2156.6-168.8-57-100.5000111.3R33 L34 V36 R52 S54 R55R33-Y45 WeakPolarHBondContact CA-O 3.47Å; R33-Y45 WeakPolarHBondContact CD-O 3.34Å; L34-Y45 PolarHBondContact N-O 3.14Å; L34-Y45 VanDerWaalsContact N-O 3.13Å; L34-Y45 PolarHBondContact O-N 3.46Å; V36-Y45 HydrophobicContact CB-CE2 4.09Å; V36-Y45 HydrophobicContact CG2-CD2 3.93Å; V36-Y45 HydrophobicContact CG2-CE2 3.71Å; Y45-R52 HydrophobicContact CD1-CG 3.81Å; Y45-R52 HydrophobicContact CD2-CG 4.38Å; Y45-R52 HydrophobicContact CE1-CG 4.45Å; Y45-R52 HydrophobicContact CG-CG 3.79Å; Y45-S54 WeakPolarHBondContact CA-O 3.4Å; Y45-R55 HydrophobicContact CD1-CB 3.72Å; Y45-R55 HydrophobicContact CD1-CG 4.14Å; Y45-R55 HydrophobicContact CE1-CB 3.59Å; Y45-R55 HydrophobicContact CE1-CG 3.8Å
46E90.8Very high89.1Confident71 Ų7175.8 Ų75.833%0.33236%0.358SS..EExtended strand (participates in β ladder)trans-62146.9157.6-95.9167.6-175.200110.2G53 S54 K56E46-G53 WeakPolarHBondContact O-CA 3.43Å; E46-G53 PolarHBondContact O-N 3.28Å; E46-S54 PolarHBondContact N-O 3.39Å; E46-S54 PolarHBondContact OE2-OG 3.27Å; E46-K56 HydrophobicContact CG-CG 4.25Å; E46-K56 WeakPolarHBondContact OE1-CE 3.19Å; E46-K56 IonicContact OE1-NZ 3.26Å; E46-K56 PolarHBondContact OE1-NZ 2.67Å; E46-K56 WeakPolarHBondContact OE2-CE 3.39Å; E46-K56 IonicContact OE2-NZ 2.63Å; E46-K56 PolarHBondContact OE2-NZ 3.14Å
47Y84.6Confident88.9Confident82 Ų8276.2 Ų76.232%0.32236%0.363SS..EExtended strand (participates in β ladder)trans-133.2119.4176.3-166.6-108.2000107.9L14 L34 M50L14-Y47 HydrophobicContact CD1-CD1 3.7Å; L14-Y47 HydrophobicContact CD1-CE1 3.59Å; L14-Y47 HydrophobicContact CD2-CD1 3.49Å; L14-Y47 VanDerWaalsContact CD2-CD1 3.49Å; L14-Y47 HydrophobicContact CD2-CD2 4.25Å; L14-Y47 HydrophobicContact CD2-CE1 4.12Å; L14-Y47 HydrophobicContact CD2-CG 3.54Å; L14-Y47 HydrophobicContact CG-CD1 4.14Å; L14-Y47 HydrophobicContact CG-CE1 4.3Å; L34-Y47 HydrophobicContact CB-CD2 4.08Å; L34-Y47 HydrophobicContact CB-CG 4.39Å; L34-Y47 HydrophobicContact CD1-CD2 4.48Å; L34-Y47 HydrophobicContact CD2-CD2 3.75Å; L34-Y47 HydrophobicContact CD2-CE2 4.04Å; L34-Y47 HydrophobicContact CG-CD2 4.35Å; Y47-M50 WeakPolarHBondContact OH-CA 3.11Å
48D78.9Confident88.8Confident118 Ų11878.5 Ų78.563%0.63138%0.379SS*.EExtended strand (participates in β ladder)trans-144.1142.6178.7-173.317.2000108.6M50 K51D48-M50 PolarHBondContact O-N 3.41Å; D48-M50 VanDerWaalsContact O-N 3.12Å; D48-K51 PolarHBondContact N-O 3.17Å; D48-K51 PolarHBondContact O-N 3.21Å
49K75.9Confident88.8Confident181 Ų18177.9 Ų77.979%0.78738%0.375SS*.THydrogen-bonded Turntrans45.843.5179.4-60.1177.3-174.6178.80114.3K51K49-K51 PolarHBondContact O-N 2.71Å
50M73.1Confident88.9Confident165 Ų16575.7 Ų75.781%0.81337%0.367SS*.THydrogen-bonded Turntrans5825.5-177.8-61.8-170.9169.700115.1Y47 D48Y47-M50 WeakPolarHBondContact OH-CA 3.11Å; D48-M50 PolarHBondContact O-N 3.41Å; D48-M50 VanDerWaalsContact O-N 3.12Å
51K78.3Confident89.1Confident162 Ų16273.1 Ų73.170%0.70435%0.351SS*.EExtended strand (participates in β ladder)trans-125.5139.7175.4-67.5-175.4-178.8-178.80110.9D48 K49 G53D48-K51 PolarHBondContact N-O 3.17Å; D48-K51 PolarHBondContact O-N 3.21Å; K49-K51 PolarHBondContact O-N 2.71Å; K51-G53 PolarHBondContact O-N 2.72Å
52R86Confident88.9Confident149 Ų14977.3 Ų77.356%0.56237%0.367SS*.EExtended strand (participates in β ladder)trans-65.6113.9171.4177.5170.252.9-162.9-6.1109.4L34 Y45L34-R52 HydrophobicContact CD2-CB 3.93Å; L34-R52 HydrophobicContact CD2-CG 4.08Å; Y45-R52 HydrophobicContact CD1-CG 3.81Å; Y45-R52 HydrophobicContact CD2-CG 4.38Å; Y45-R52 HydrophobicContact CE1-CG 4.45Å; Y45-R52 HydrophobicContact CG-CG 3.79Å
53G86.3Confident88.8Confident37 Ų3780.6 Ų80.638%0.38138%0.381SS..EExtended strand (participates in β ladder)trans-89-150.8177.400000112.8E46 K51E46-G53 WeakPolarHBondContact O-CA 3.43Å; E46-G53 PolarHBondContact O-N 3.28Å; K51-G53 PolarHBondContact O-N 2.72Å
54S88.3Confident88.8Confident56 Ų5680.1 Ų80.139%0.39238%0.378SS..EExtended strand (participates in β ladder)trans-66.4141.8-176.370.60000113.1Y45 E46 K56Y45-S54 WeakPolarHBondContact CA-O 3.4Å; E46-S54 PolarHBondContact N-O 3.39Å; E46-S54 PolarHBondContact OE2-OG 3.27Å; S54-K56 PolarHBondContact O-N 2.98Å; S54-K56 VanDerWaalsContact OG-CE 3.31Å; S54-K56 WeakPolarHBondContact OG-CE 3.39Å; S54-K56 PolarHBondContact OG-NZ 3.47Å
55R92.6Very high88.8Confident161 Ų16182.6 Ų82.661%0.60839%0.387SS*.EExtended strand (participates in β ladder)trans-68.9126.2174.8-171171.864.8179-1.9110.1Y45Y45-R55 HydrophobicContact CD1-CB 3.72Å; Y45-R55 HydrophobicContact CD1-CG 4.14Å; Y45-R55 HydrophobicContact CE1-CB 3.59Å; Y45-R55 HydrophobicContact CE1-CG 3.8Å
56K92.3Very high88.9Confident92 Ų9280.6 Ų80.640%0.438%0.379SS..EExtended strand (participates in β ladder)trans-101.9-17.4-179.8-64.6-52.7-172.3-166.70114.4Y44 E46 S54Y44-K56 HydrophobicContact CD2-CB 3.83Å; Y44-K56 VanDerWaalsContact CE2-C 3.46Å; Y44-K56 HydrophobicContact CE2-CB 3.78Å; Y44-K56 PolarHBondContact O-N 2.89Å; E46-K56 HydrophobicContact CG-CG 4.25Å; E46-K56 WeakPolarHBondContact OE1-CE 3.19Å; E46-K56 IonicContact OE1-NZ 3.26Å; E46-K56 PolarHBondContact OE1-NZ 2.67Å; E46-K56 WeakPolarHBondContact OE2-CE 3.39Å; E46-K56 IonicContact OE2-NZ 2.63Å; E46-K56 PolarHBondContact OE2-NZ 3.14Å; S54-K56 PolarHBondContact O-N 2.98Å; S54-K56 VanDerWaalsContact OG-CE 3.31Å; S54-K56 WeakPolarHBondContact OG-CE 3.39Å; S54-K56 PolarHBondContact OG-NZ 3.47Å
57G90.8Very high89.1Confident17 Ų1777.2 Ų77.218%0.17536%0.363CS..EExtended strand (participates in β ladder)trans-178.1166.7170.800000112.1S43 Y44S43-G57 WeakPolarHBondContact CA-O 3.41Å; Y44-G57 VanDerWaalsContact CE2-N 3.35Å; Y44-G57 VanDerWaalsContact CZ-CA 3.47Å; Y44-G57 PolarHBondContact N-O 2.86Å; Y44-G57 PolarHBondContact O-N 2.83Å
58S93.7Very high89.7Confident48 Ų4874.7 Ų74.734%0.33636%0.355SS..EExtended strand (participates in β ladder)trans-148.3139177.4-169.60000109.1N41 L42 S43N41-S58 PolarHBondContact OD1-OG 2.8Å; L42-S58 CarbonylContact O-C 3.58Å; L42-S58 WeakPolarHBondContact O-CA 3.47Å; S43-S58 WeakPolarHBondContact OG-CB 3.46Å; S43-S58 PolarHBondContact OG-OG 3.45Å
59I94.8Very high90.5Very high8 Ų872.5 Ų72.54%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-120.3122174.5-57.8169.6000107N41 L42 I61 I64 I86 Y88 L93N41-I59 CarbonylContact C-O 3.58Å; N41-I59 WeakPolarHBondContact CA-O 3.5Å; L42-I59 PolarHBondContact N-O 3.06Å; L42-I59 PolarHBondContact O-N 2.86Å; I59-I61 PolarHBondContact O-N 2.79Å; I59-I64 HydrophobicContact CG2-CD1 4.27Å; I59-I64 HydrophobicContact CG2-CG1 3.75Å; I59-I86 HydrophobicContact CD1-CG2 4.39Å; I59-Y88 HydrophobicContact CD1-CD1 3.82Å; I59-Y88 HydrophobicContact CD1-CE1 3.66Å; I59-Y88 HydrophobicContact CD1-CG 4.41Å; I59-Y88 HydrophobicContact CG1-CD1 4.48Å; I59-Y88 HydrophobicContact CG1-CE1 4.35Å; I59-Y88 HydrophobicContact CG2-CD1 4.3Å; I59-Y88 HydrophobicContact CG2-CD2 4.15Å; I59-Y88 HydrophobicContact CG2-CG 3.89Å; I59-L93 HydrophobicContact CD1-CD2 3.85Å
60E94.7Very high91.3Very high62 Ų6264.1 Ų64.129%0.2930%0.303SS..EExtended strand (participates in β ladder)trans-67.1131.3174.1-67.4166.2-112.200109.8T40 K62 K63T40-E60 WeakPolarHBondContact O-CA 3.1Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 HydrophobicContact CB-CG 4.23Å; E60-K62 PolarHBondContact O-N 2.84Å; E60-K62 WeakPolarHBondContact OE2-CE 3.45Å; E60-K62 IonicContact OE2-NZ 2.8Å; E60-K62 PolarHBondContact OE2-NZ 2.77Å; E60-K63 HydrophobicContact CB-CB 4.47Å; E60-K63 HydrophobicContact CB-CD 4.13Å; E60-K63 HydrophobicContact CB-CG 4.13Å; E60-K63 WeakPolarHBondContact O-CB 3.39Å; E60-K63 PolarHBondContact O-N 2.92Å; E60-K63 WeakPolarHBondContact OE1-CE 3.39Å; E60-K63 IonicContact OE1-NZ 2.81Å; E60-K63 PolarHBondContact OE1-NZ 2.84Å
61I94.8Very high92.1Very high4 Ų460.8 Ų60.82%0.02129%0.289CS..G310 helixtrans-56.6-43.4-176.1-64.9-58.5000111.2L37 T40 L42 I59 K63 I64 L110 E113 I114 N117L37-I61 HydrophobicContact CD1-CD1 3.56Å; T40-I61 PolarHBondContact O-N 2.78Å; L42-I61 HydrophobicContact CB-CD1 4.17Å; I59-I61 PolarHBondContact O-N 2.79Å; I61-K63 PolarHBondContact O-N 3.25Å; I61-I64 HydrophobicContact CD1-CD1 3.79Å; I61-I64 WeakPolarHBondContact O-CB 3.5Å; I61-I64 PolarHBondContact O-N 3.39Å; I61-L110 HydrophobicContact CD1-CD2 4.44Å; I61-E113 HydrophobicContact CG2-CB 3.96Å; I61-E113 WeakPolarHBondContact CG2-O 3.46Å; I61-I114 HydrophobicContact CG2-CG2 3.93Å; I61-N117 PolarHBondContact O-ND2 3.48Å
62K92.8Very high92.4Very high134 Ų13457.5 Ų57.558%0.58328%0.278SS*.G310 helixtrans-59-17.6176.367.8179.7175.7-173.70115.3E60E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 HydrophobicContact CB-CG 4.23Å; E60-K62 PolarHBondContact O-N 2.84Å; E60-K62 WeakPolarHBondContact OE2-CE 3.45Å; E60-K62 IonicContact OE2-NZ 2.8Å; E60-K62 PolarHBondContact OE2-NZ 2.77Å
63K93.8Very high91.7Very high68 Ų6853.9 Ų53.930%0.29627%0.268SS..G310 helixtrans-92.1-11.7177.9-68.3-178.1177.21700112.6E60 I61 Y88 K89E60-K63 HydrophobicContact CB-CB 4.47Å; E60-K63 HydrophobicContact CB-CD 4.13Å; E60-K63 HydrophobicContact CB-CG 4.13Å; E60-K63 WeakPolarHBondContact O-CB 3.39Å; E60-K63 PolarHBondContact O-N 2.92Å; E60-K63 WeakPolarHBondContact OE1-CE 3.39Å; E60-K63 IonicContact OE1-NZ 2.81Å; E60-K63 PolarHBondContact OE1-NZ 2.84Å; I61-K63 PolarHBondContact O-N 3.25Å; K63-Y88 CarbonylContact O-C 3.57Å; K63-Y88 WeakPolarHBondContact O-CA 3.45Å; K63-Y88 WeakPolarHBondContact O-CB 3.38Å; K63-K89 HydrophobicContact CB-CB 4.47Å; K63-K89 PolarHBondContact O-N 2.94Å
64I95.5Very high90.7Very high0 Ų061.8 Ų61.80%030%0.295CS..EExtended strand (participates in β ladder)trans-73.7129.4177.1-58.7177.2000108.5I59 I61 V67 I86 L110 I114 N117I59-I64 HydrophobicContact CG2-CD1 4.27Å; I59-I64 HydrophobicContact CG2-CG1 3.75Å; I61-I64 HydrophobicContact CD1-CD1 3.79Å; I61-I64 WeakPolarHBondContact O-CB 3.5Å; I61-I64 PolarHBondContact O-N 3.39Å; I64-V67 HydrophobicContact CG2-CG2 3.5Å; I64-I86 HydrophobicContact CD1-CG2 4.1Å; I64-I86 HydrophobicContact CG1-CG2 4.17Å; I64-I86 HydrophobicContact CG2-CG2 4.09Å; I64-L110 HydrophobicContact CD1-CD2 4.41Å; I64-I114 HydrophobicContact CB-CG2 3.76Å; I64-I114 HydrophobicContact CD1-CG2 4.25Å; I64-I114 HydrophobicContact CG2-CD1 4.31Å; I64-I114 HydrophobicContact CG2-CG2 3.81Å; I64-N117 PolarHBondContact O-ND2 3.21Å; I64-N117 VanDerWaalsContact O-ND2 3.16Å
65R93.7Very high89.8Confident77 Ų7767.9 Ų67.929%0.29132%0.317SS..EExtended strand (participates in β ladder)trans-111.1-23.3-176.2-53.5-177.2170178.2-7.9113.2V87 H119 L120 L121R65-V87 PolarHBondContact N-O 3.48Å; R65-H119 WeakPolarHBondContact CB-O 3.37Å; R65-H119 WeakPolarHBondContact CG-O 3.13Å; R65-L120 CarbonylContact O-C 3.6Å; R65-L120 WeakPolarHBondContact O-CA 3.06Å; R65-L120 WeakPolarHBondContact O-CD2 3.38Å; R65-L121 HydrophobicContact CB-CD1 4.28Å; R65-L121 HydrophobicContact CB-CD2 4.42Å; R65-L121 HydrophobicContact CB-CG 3.78Å; R65-L121 PolarHBondContact O-N 2.88Å
66C94.6Very high89Confident0 Ų061.7 Ų61.70%030%0.297CS..EExtended strand (participates in β ladder)trans-158.6143.1175.8178.50000110.4V87 L121 Y124 W150C66-V87 HydrophobicContact CB-CB 3.99Å; C66-V87 HydrophobicContact CB-CG2 3.88Å; C66-V87 PolarHBondContact N-O 3.07Å; C66-V87 PolarHBondContact O-N 3.28Å; C66-L121 HydrophobicContact CB-CB 4.26Å; C66-L121 HydrophobicContact CB-CD1 4.14Å; C66-L121 HydrophobicContact CB-CG 4.47Å; C66-Y124 WeakPolarHBondContact SG-CB 3.43Å; C66-W150 HydrophobicContact CB-CE3 4.49Å; C66-W150 HydrophobicContact CB-CZ3 4.36Å
67V96.3Very high88.5Confident0 Ų060.3 Ų60.30%030%0.298CS..EExtended strand (participates in β ladder)trans-137.9114.7171.51790000108.8I64 F84 Q85 I86 L107 L110 Q111 I114 W150I64-V67 HydrophobicContact CG2-CG2 3.5Å; V67-F84 HydrophobicContact CG1-CD2 4.43Å; V67-Q85 WeakPolarHBondContact CA-O 3.25Å; V67-I86 HydrophobicContact CG1-CG1 4.44Å; V67-I86 HydrophobicContact CG2-CG1 4.26Å; V67-I86 HydrophobicContact CG2-CG2 4.31Å; V67-L107 HydrophobicContact CG1-CD2 3.69Å; V67-L110 HydrophobicContact CB-CB 4.32Å; V67-L110 HydrophobicContact CG1-CB 3.87Å; V67-L110 HydrophobicContact CG1-CD1 3.8Å; V67-L110 HydrophobicContact CG1-CG 4.49Å; V67-L110 HydrophobicContact CG2-CB 4.14Å; V67-L110 HydrophobicContact CG2-CD1 4.48Å; V67-Q111 PolarHBondContact O-NE2 3.31Å; V67-I114 HydrophobicContact CB-CD1 4.26Å; V67-I114 HydrophobicContact CG2-CD1 3.98Å; V67-W150 WeakPolarHBondContact O-CZ2 3.31Å
68E96.3Very high87.9Confident30 Ų3064.8 Ų64.814%0.1432%0.322CS..EExtended strand (participates in β ladder)trans-156.9163.7-175.2-162.645.5-93.300113.1F84 Q85 Q111 Y124 W150E68-F84 CarbonylContact O-C 3.52Å; E68-F84 WeakPolarHBondContact O-CA 3.34Å; E68-F84 WeakPolarHBondContact O-CB 3.13Å; E68-Q85 PolarHBondContact N-O 3.43Å; E68-Q85 WeakPolarHBondContact O-CG 3.3Å; E68-Q85 PolarHBondContact O-N 2.91Å; E68-Q111 PolarHBondContact OE2-NE2 3.2Å; E68-Y124 HydrophobicContact CB-CD2 4.03Å; E68-Y124 HydrophobicContact CB-CE1 4.45Å; E68-Y124 HydrophobicContact CB-CE2 3.74Å; E68-Y124 HydrophobicContact CB-CG 4.48Å; E68-Y124 HydrophobicContact CG-CD2 4.36Å; E68-Y124 HydrophobicContact CG-CE1 3.91Å; E68-Y124 HydrophobicContact CG-CE2 3.64Å; E68-Y124 WeakPolarHBondContact CG-OH 3.45Å; E68-W150 VanDerWaalsContact OE2-CD1 3.29Å; E68-W150 PolarHBondContact OE2-NE1 3.36Å
69K95.1Very high87.3Confident72 Ų7270 Ų7031%0.31334%0.341SS..EExtended strand (participates in β ladder)trans-57.5154.8172.6-63.9178.8176.9-172.60111.9E100 L107 Y124K69-E100 IonicContact NZ-OE1 2.68Å; K69-E100 PolarHBondContact NZ-OE1 3.29Å; K69-L107 HydrophobicContact CD-CD1 4.28Å; K69-L107 HydrophobicContact CG-CD1 3.54Å; K69-Y124 WeakPolarHBondContact O-CE2 3.14Å
70V92.9Very high86.9Confident4 Ų472.7 Ų72.72%0.02435%0.35CS..  trans-118.4139.9172.5-171.70000108.3P83 Q85 Y94 S126 F128V70-P83 HydrophobicContact CB-CB 4.18Å; V70-P83 HydrophobicContact CB-CG 4.21Å; V70-P83 PolarHBondContact N-O 3.39Å; V70-P83 WeakPolarHBondContact O-CG 3.47Å; V70-Q85 HydrophobicContact CG2-CB 3.66Å; V70-Q85 HydrophobicContact CG2-CG 4.07Å; V70-Y94 HydrophobicContact CG1-CE1 4.32Å; V70-Y94 HydrophobicContact CG2-CD1 3.93Å; V70-Y94 HydrophobicContact CG2-CE1 3.95Å; V70-S126 CarbonylContact C-O 3.5Å; V70-S126 WeakPolarHBondContact CA-O 3.47Å; V70-S126 WeakPolarHBondContact CG1-O 3.37Å; V70-F128 HydrophobicContact CB-CE1 4.34Å; V70-F128 HydrophobicContact CB-CZ 4.19Å; V70-F128 HydrophobicContact CG1-CD1 3.83Å; V70-F128 HydrophobicContact CG1-CD2 3.83Å; V70-F128 HydrophobicContact CG1-CE1 3.75Å; V70-F128 HydrophobicContact CG1-CE2 3.75Å; V70-F128 HydrophobicContact CG1-CG 3.88Å; V70-F128 HydrophobicContact CG1-CZ 3.71Å
71N90.1Very high86.6Confident96 Ų9673.2 Ų73.251%0.51335%0.353SS..PPolyproline II helixtrans-66.4137.3176.2-66.5-5.6000110S126 F128N71-S126 PolarHBondContact N-O 3.27Å; N71-F128 WeakPolarHBondContact O-CE2 3.19Å
72L84.5Confident86.6Confident92 Ų9276.2 Ų76.248%0.48236%0.364SS..PPolyproline II helixtrans-69.6149.7179.7-72.1169.1000111.6T76 Q81 P83L72-T76 HydrophobicContact CD2-CG2 4.05Å; L72-Q81 WeakPolarHBondContact CD2-O 3.47Å; L72-P83 HydrophobicContact CD2-CG 3.85Å
73E72.2Confident86.7Confident74 Ų7469.8 Ų69.835%0.34634%0.337SS..PPolyproline II helixtrans-84.3145.7167.3-62.6172.6-178.900108.5Q75 T76 F128 L135E73-Q75 PolarHBondContact O-N 3.19Å; E73-T76 PolarHBondContact N-OG1 3.46Å; E73-T76 PolarHBondContact O-N 2.85Å; E73-T76 VanDerWaalsContact O-N 3.17Å; E73-T76 PolarHBondContact O-OG1 3.07Å; E73-F128 HydrophobicContact CG-CD2 3.74Å; E73-F128 HydrophobicContact CG-CE2 4.1Å; E73-F128 WeakPolarHBondContact OE1-CD2 3.01Å; E73-L135 HydrophobicContact CG-CD1 4.19Å
74E65.8Low86.8Confident203 Ų20366.6 Ų66.695%0.94932%0.323SS*.THydrogen-bonded Turntrans-57.1-18.1-174.1-70177.9171.600114.5
75Q68.6Low86.8Confident183 Ų18366.7 Ų66.786%0.85532%0.323SS*.THydrogen-bonded Turntrans-12437.8-178.7-59.5-179.718.800112.8E73 P77E73-Q75 PolarHBondContact O-N 3.19Å; Q75-P77 WeakPolarHBondContact O-CD 3.23Å
76T76.4Confident86.9Confident31 Ų3163 Ų6319%0.1931%0.309CS..  trans-76.3126-177.7-55.10000112L72 E73 R80L72-T76 HydrophobicContact CD2-CG2 4.05Å; E73-T76 PolarHBondContact N-OG1 3.46Å; E73-T76 PolarHBondContact O-N 2.85Å; E73-T76 VanDerWaalsContact O-N 3.17Å; E73-T76 PolarHBondContact O-OG1 3.07Å; T76-R80 HydrophobicContact CG2-CB 3.51Å; T76-R80 WeakPolarHBondContact CG2-O 3.34Å
77P81.2Confident86.9Confident64 Ų6464.3 Ų64.342%0.41632%0.317SS..  trans-57.7152.4174.4-24.633.7000113.1Q75 E79 R80Q75-P77 WeakPolarHBondContact O-CD 3.23Å; P77-E79 PolarHBondContact O-N 3.4Å; P77-E79 VanDerWaalsContact O-N 3.16Å; P77-R80 PolarHBondContact O-N 3.02Å
78V78.4Confident86.8Confident111 Ų11165.8 Ų65.867%0.67332%0.323SS*.G310 helixtrans-52.6-41.4-177.1-179.20000112.4R80 Q81V78-R80 PolarHBondContact O-N 3.46Å; V78-Q81 WeakPolarHBondContact O-CG 3.46Å; V78-Q81 PolarHBondContact O-N 3Å
79E80.5Confident86.2Confident158 Ų15870.6 Ų70.674%0.73834%0.343SS*.G310 helixtrans-64.4-6.1178.5-60.3168.2-155.900114.4P77P77-E79 PolarHBondContact O-N 3.4Å; P77-E79 VanDerWaalsContact O-N 3.16Å
80R87.1Confident85.6Confident63 Ų6372.4 Ų72.424%0.23836%0.356CS..G310 helixtrans-12616.1-174.3-62.1-177.1-163.5157.26.9113.1L16 Y30 T76 P77 V78 Y82 Y96L16-R80 HydrophobicContact CD2-CG 3.93Å; Y30-R80 VanDerWaalsContact CD2-CZ 3.48Å; Y30-R80 VanDerWaalsContact CE2-NH1 3.25Å; T76-R80 HydrophobicContact CG2-CB 3.51Å; T76-R80 WeakPolarHBondContact CG2-O 3.34Å; P77-R80 PolarHBondContact O-N 3.02Å; V78-R80 PolarHBondContact O-N 3.46Å; R80-Y82 PolarHBondContact O-N 3.15Å; R80-Y96 HydrophobicContact CB-CD1 3.65Å; R80-Y96 HydrophobicContact CB-CE1 3.85Å; R80-Y96 HydrophobicContact CB-CG 4.42Å; R80-Y96 HydrophobicContact CG-CD1 4.13Å; R80-Y96 HydrophobicContact CG-CE1 4.32Å; R80-Y96 HydrophobicContact CG-CG 4.48Å; R80-Y96 WeakPolarHBondContact O-CD1 3.33Å
81Q88.8Confident85.4Confident73 Ų7373.6 Ų73.634%0.34137%0.369SS..SBendtrans-72.2-12.4-176.3-73.6-175.8-400114.8L72 V78 P83L72-Q81 WeakPolarHBondContact CD2-O 3.47Å; V78-Q81 WeakPolarHBondContact O-CG 3.46Å; V78-Q81 PolarHBondContact O-N 3Å; Q81-P83 VanDerWaalsContact O-CD 3.24Å; Q81-P83 WeakPolarHBondContact O-CD 3.46Å
82Y93.3Very high85.4Confident67 Ų6770 Ų7026%0.26335%0.35SS..EExtended strand (participates in β ladder)trans-12162.6-176.5-50.2-77.1000112.8R80 A97 N99 E100R80-Y82 PolarHBondContact O-N 3.15Å; Y82-A97 PolarHBondContact O-N 3.04Å; Y82-N99 VanDerWaalsContact CD2-CA 3.43Å; Y82-N99 HydrophobicContact CE2-CB 4.48Å; Y82-E100 HydrophobicContact CD1-CB 3.93Å; Y82-E100 HydrophobicContact CE1-CB 3.76Å
83P95.5Very high85.8Confident0 Ų065.6 Ų65.60%033%0.327CS..EExtended strand (participates in β ladder)trans-77.7148.8177.532.7-35.3000112.3V70 L72 Q81 V95 Y96 R103 F128V70-P83 HydrophobicContact CB-CB 4.18Å; V70-P83 HydrophobicContact CB-CG 4.21Å; V70-P83 PolarHBondContact N-O 3.39Å; V70-P83 WeakPolarHBondContact O-CG 3.47Å; L72-P83 HydrophobicContact CD2-CG 3.85Å; Q81-P83 VanDerWaalsContact O-CD 3.24Å; Q81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-V95 CarbonylContact C-O 3.51Å; P83-V95 WeakPolarHBondContact CA-O 3.19Å; P83-Y96 HydrophobicContact CB-CD1 3.68Å; P83-Y96 HydrophobicContact CB-CE1 3.66Å; P83-Y96 HydrophobicContact CG-CE1 4.46Å; P83-R103 WeakPolarHBondContact O-CD 3.45Å; P83-R103 PolarHBondContact O-NH1 2.81Å; P83-F128 HydrophobicContact CB-CE1 4.36Å; P83-F128 HydrophobicContact CB-CZ 3.78Å; P83-F128 HydrophobicContact CG-CZ 3.98Å
84F96.3Very high86.9Confident1 Ų162.9 Ų62.90%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-142.7162162.366.9-80.9000110L15 V67 E68 I86 V95 R103 W106 L107 L110L15-F84 HydrophobicContact CD1-CZ 4.21Å; V67-F84 HydrophobicContact CG1-CD2 4.43Å; E68-F84 CarbonylContact O-C 3.52Å; E68-F84 WeakPolarHBondContact O-CA 3.34Å; E68-F84 WeakPolarHBondContact O-CB 3.13Å; F84-I86 HydrophobicContact CD2-CG1 4.39Å; F84-I86 HydrophobicContact CE2-CD1 3.96Å; F84-I86 HydrophobicContact CE2-CG1 4.16Å; F84-V95 HydrophobicContact CD1-CB 4.31Å; F84-V95 HydrophobicContact CE1-CB 3.78Å; F84-V95 HydrophobicContact CE1-CG1 3.72Å; F84-V95 HydrophobicContact CE2-CB 4.09Å; F84-V95 HydrophobicContact CZ-CB 3.66Å; F84-V95 HydrophobicContact CZ-CG1 3.66Å; F84-V95 HydrophobicContact CZ-CG2 4.4Å; F84-V95 PolarHBondContact N-O 3.28Å; F84-V95 PolarHBondContact O-N 3.35Å; F84-V95 VanDerWaalsContact O-O 3.09Å; F84-R103 HydrophobicContact CB-CG 4.43Å; F84-R103 HydrophobicContact CD1-CG 4.16Å; F84-W106 HydrophobicContact CE1-CB 4.38Å; F84-W106 HydrophobicContact CE2-CB 4.48Å; F84-W106 HydrophobicContact CZ-CB 4Å; F84-W106 HydrophobicContact CZ-CG 4.27Å; F84-L107 HydrophobicContact CB-CD2 3.89Å; F84-L107 HydrophobicContact CB-CG 4.49Å; F84-L107 HydrophobicContact CD2-CD2 4.18Å; F84-L107 HydrophobicContact CG-CD2 4.25Å; F84-L110 HydrophobicContact CE2-CD1 4.05Å
85Q95.9Very high88.3Confident1 Ų153.2 Ų53.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-117.9150.4-179.271.9-167-70.200111.9V67 E68 V70 V87 L92 L93 Y94 Y124 H125V67-Q85 WeakPolarHBondContact CA-O 3.25Å; E68-Q85 PolarHBondContact N-O 3.43Å; E68-Q85 WeakPolarHBondContact O-CG 3.3Å; E68-Q85 PolarHBondContact O-N 2.91Å; V70-Q85 HydrophobicContact CG2-CB 3.66Å; V70-Q85 HydrophobicContact CG2-CG 4.07Å; Q85-V87 HydrophobicContact CG-CG2 4.24Å; Q85-L92 HydrophobicContact CB-CD1 4.2Å; Q85-L93 CarbonylContact C-O 3.46Å; Q85-L93 VanDerWaalsContact CA-O 3.3Å; Q85-L93 WeakPolarHBondContact CA-O 3.44Å; Q85-Y94 HydrophobicContact CB-CD1 3.91Å; Q85-Y94 HydrophobicContact CB-CE1 3.98Å; Q85-Y124 VanDerWaalsContact NE2-CD2 3.27Å; Q85-H125 PolarHBondContact NE2-O 3.26Å; Q85-H125 PolarHBondContact OE1-O 2.73Å
86I96.2Very high89.6Confident1 Ų144.8 Ų44.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-123.1109.5170.8-60146.3000106.6L42 I59 I64 V67 F84 Y88 L93 V95 L110L42-I86 HydrophobicContact CD2-CD1 3.52Å; L42-I86 HydrophobicContact CD2-CG1 4.42Å; I59-I86 HydrophobicContact CD1-CG2 4.39Å; I64-I86 HydrophobicContact CD1-CG2 4.1Å; I64-I86 HydrophobicContact CG1-CG2 4.17Å; I64-I86 HydrophobicContact CG2-CG2 4.09Å; V67-I86 HydrophobicContact CG1-CG1 4.44Å; V67-I86 HydrophobicContact CG2-CG1 4.26Å; V67-I86 HydrophobicContact CG2-CG2 4.31Å; F84-I86 HydrophobicContact CD2-CG1 4.39Å; F84-I86 HydrophobicContact CE2-CD1 3.96Å; F84-I86 HydrophobicContact CE2-CG1 4.16Å; I86-Y88 HydrophobicContact CG2-CD1 4.44Å; I86-L93 HydrophobicContact CB-CB 4.35Å; I86-L93 HydrophobicContact CD1-CD2 4.06Å; I86-L93 PolarHBondContact N-O 3.15Å; I86-L93 PolarHBondContact O-N 3.19Å; I86-V95 HydrophobicContact CD1-CG2 3.93Å; I86-L110 HydrophobicContact CD1-CD1 4.37Å; I86-L110 HydrophobicContact CG1-CD1 4.27Å
87V94.1Very high90.5Very high26 Ų2643.5 Ų43.516%0.15822%0.221CC..EExtended strand (participates in β ladder)trans-95.5126175.8-163.30000108.1R65 C66 Q85 L92 L121R65-V87 PolarHBondContact N-O 3.48Å; C66-V87 HydrophobicContact CB-CB 3.99Å; C66-V87 HydrophobicContact CB-CG2 3.88Å; C66-V87 PolarHBondContact N-O 3.07Å; C66-V87 PolarHBondContact O-N 3.28Å; Q85-V87 HydrophobicContact CG-CG2 4.24Å; V87-L92 HydrophobicContact CB-CD1 4.37Å; V87-L92 HydrophobicContact CG2-CD1 3.75Å; V87-L121 HydrophobicContact CB-CD1 4.24Å; V87-L121 HydrophobicContact CG1-CD1 3.8Å
88Y93.7Very high91Very high32 Ų3244 Ų4413%0.12523%0.227CC..EExtended strand (participates in β ladder)trans-137.5166.7-18060.7-81.2000110.4Q20 I59 K63 I86 D90 G91 L93Q20-Y88 PolarHBondContact NE2-OH 3.5Å; I59-Y88 HydrophobicContact CD1-CD1 3.82Å; I59-Y88 HydrophobicContact CD1-CE1 3.66Å; I59-Y88 HydrophobicContact CD1-CG 4.41Å; I59-Y88 HydrophobicContact CG1-CD1 4.48Å; I59-Y88 HydrophobicContact CG1-CE1 4.35Å; I59-Y88 HydrophobicContact CG2-CD1 4.3Å; I59-Y88 HydrophobicContact CG2-CD2 4.15Å; I59-Y88 HydrophobicContact CG2-CG 3.89Å; K63-Y88 CarbonylContact O-C 3.57Å; K63-Y88 WeakPolarHBondContact O-CA 3.45Å; K63-Y88 WeakPolarHBondContact O-CB 3.38Å; I86-Y88 HydrophobicContact CG2-CD1 4.44Å; Y88-D90 HydrophobicContact CD2-CB 4.18Å; Y88-D90 HydrophobicContact CE2-CB 3.98Å; Y88-D90 PolarHBondContact O-N 2.98Å; Y88-G91 VanDerWaalsContact CD1-O 3.23Å; Y88-G91 WeakPolarHBondContact CD1-O 3.46Å; Y88-G91 VanDerWaalsContact CE1-C 3.47Å; Y88-G91 WeakPolarHBondContact CE1-O 3.49Å; Y88-G91 PolarHBondContact N-O 2.97Å; Y88-G91 PolarHBondContact O-N 2.68Å; Y88-G91 VanDerWaalsContact O-N 3.11Å; Y88-L93 HydrophobicContact CE1-CB 4.17Å
89K84.1Confident91.7Very high131 Ų13141.9 Ų41.957%0.5721%0.211SC*.THydrogen-bonded Turntrans-47.5-39.5-174.1179.4175178.6-179.90114.1K63K63-K89 HydrophobicContact CB-CB 4.47Å; K63-K89 PolarHBondContact O-N 2.94Å
90D82.4Confident92.3Very high109 Ų10937.3 Ų37.358%0.58319%0.19SC*.THydrogen-bonded Turntrans-106.711-171.2-50.7-50.5000113Y88Y88-D90 HydrophobicContact CD2-CB 4.18Å; Y88-D90 HydrophobicContact CE2-CB 3.98Å; Y88-D90 PolarHBondContact O-N 2.98Å
91G87.6Confident92.7Very high29 Ų2941.5 Ų41.530%0.29921%0.212SC..EExtended strand (participates in β ladder)trans164-172.3176.800000117.1Y88Y88-G91 VanDerWaalsContact CD1-O 3.23Å; Y88-G91 WeakPolarHBondContact CD1-O 3.46Å; Y88-G91 VanDerWaalsContact CE1-C 3.47Å; Y88-G91 WeakPolarHBondContact CE1-O 3.49Å; Y88-G91 PolarHBondContact N-O 2.97Å; Y88-G91 PolarHBondContact O-N 2.68Å; Y88-G91 VanDerWaalsContact O-N 3.11Å
92L91.1Very high93.1Very high20 Ų2038.3 Ų38.311%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-127.3133179.9179.561000108.9Q20 Q85 V87 Y94 F129 F134Q20-L92 PolarHBondContact NE2-O 2.92Å; Q85-L92 HydrophobicContact CB-CD1 4.2Å; V87-L92 HydrophobicContact CB-CD1 4.37Å; V87-L92 HydrophobicContact CG2-CD1 3.75Å; L92-Y94 HydrophobicContact CD2-CE1 4.35Å; L92-Y94 HydrophobicContact CD2-CE2 3.98Å; L92-Y94 VanDerWaalsContact CD2-OH 3.23Å; L92-Y94 WeakPolarHBondContact CD2-OH 3.43Å; L92-Y94 HydrophobicContact CG-CE1 4.47Å; L92-Y94 HydrophobicContact CG-CE2 4.25Å; L92-F129 HydrophobicContact CD2-CB 4.47Å; L92-F134 HydrophobicContact CD2-CE1 3.92Å; L92-F134 HydrophobicContact CD2-CZ 4.16Å
93L93.4Very high93.2Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-125.6128.3178.9179.364.2000110.2K17 F35 Y44 I59 Q85 I86 Y88 V95K17-L93 HydrophobicContact CD-CD1 4.13Å; K17-L93 VanDerWaalsContact CE-CD1 3.5Å; K17-L93 HydrophobicContact CG-CD1 3.89Å; F35-L93 HydrophobicContact CE1-CD2 4.2Å; Y44-L93 HydrophobicContact CE1-CD2 4.4Å; I59-L93 HydrophobicContact CD1-CD2 3.85Å; Q85-L93 CarbonylContact C-O 3.46Å; Q85-L93 VanDerWaalsContact CA-O 3.3Å; Q85-L93 WeakPolarHBondContact CA-O 3.44Å; I86-L93 HydrophobicContact CB-CB 4.35Å; I86-L93 HydrophobicContact CD1-CD2 4.06Å; I86-L93 PolarHBondContact N-O 3.15Å; I86-L93 PolarHBondContact O-N 3.19Å; Y88-L93 HydrophobicContact CE1-CB 4.17Å; L93-V95 HydrophobicContact CD2-CG2 4Å; L93-V95 HydrophobicContact CG-CG2 3.87Å
94Y94.6Very high93.2Very high16 Ų1638.1 Ų38.16%0.06320%0.202CC..EExtended strand (participates in β ladder)trans-103130.9170.8-61.3-66.2000110.2R18 V70 Q85 L92 F128 F129R18-Y94 PolarHBondContact N-O 3.06Å; V70-Y94 HydrophobicContact CG1-CE1 4.32Å; V70-Y94 HydrophobicContact CG2-CD1 3.93Å; V70-Y94 HydrophobicContact CG2-CE1 3.95Å; Q85-Y94 HydrophobicContact CB-CD1 3.91Å; Q85-Y94 HydrophobicContact CB-CE1 3.98Å; L92-Y94 HydrophobicContact CD2-CE1 4.35Å; L92-Y94 HydrophobicContact CD2-CE2 3.98Å; L92-Y94 VanDerWaalsContact CD2-OH 3.23Å; L92-Y94 WeakPolarHBondContact CD2-OH 3.43Å; L92-Y94 HydrophobicContact CG-CE1 4.47Å; L92-Y94 HydrophobicContact CG-CE2 4.25Å; Y94-F128 AromaticContact CD1-CD1 3.84Å; Y94-F128 HydrophobicContact CD1-CD1 3.84Å; Y94-F128 AromaticContact CD1-CE1 3.86Å; Y94-F128 HydrophobicContact CD1-CE1 3.86Å; Y94-F128 HydrophobicContact CD2-CD1 4.19Å; Y94-F128 AromaticContact CE1-CD1 3.77Å; Y94-F128 HydrophobicContact CE1-CD1 3.77Å; Y94-F128 HydrophobicContact CE1-CE1 4.21Å; Y94-F128 HydrophobicContact CE2-CD1 4.14Å; Y94-F128 HydrophobicContact CG-CD1 4.04Å; Y94-F128 HydrophobicContact CG-CE1 4.07Å; Y94-F128 AromaticContact CZ-CD1 3.92Å; Y94-F129 HydrophobicContact CE2-CB 4.46Å; Y94-F129 PolarHBondContact OH-N 2.96Å
95V94.9Very high93.2Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-130.5144.2-179-172.60000108.5L15 L16 F35 P83 F84 I86 L93L15-V95 HydrophobicContact CB-CG1 3.59Å; L15-V95 HydrophobicContact CD1-CG1 3.58Å; L15-V95 HydrophobicContact CG-CG1 4.2Å; L16-V95 CarbonylContact O-C 3.54Å; L16-V95 WeakPolarHBondContact O-CA 3.47Å; F35-V95 HydrophobicContact CE1-CG2 4.08Å; F35-V95 HydrophobicContact CE2-CG1 4.19Å; F35-V95 HydrophobicContact CZ-CG1 4.13Å; F35-V95 HydrophobicContact CZ-CG2 3.89Å; P83-V95 CarbonylContact C-O 3.51Å; P83-V95 WeakPolarHBondContact CA-O 3.19Å; F84-V95 HydrophobicContact CD1-CB 4.31Å; F84-V95 HydrophobicContact CE1-CB 3.78Å; F84-V95 HydrophobicContact CE1-CG1 3.72Å; F84-V95 HydrophobicContact CE2-CB 4.09Å; F84-V95 HydrophobicContact CZ-CB 3.66Å; F84-V95 HydrophobicContact CZ-CG1 3.66Å; F84-V95 HydrophobicContact CZ-CG2 4.4Å; F84-V95 PolarHBondContact N-O 3.28Å; F84-V95 PolarHBondContact O-N 3.35Å; F84-V95 VanDerWaalsContact O-O 3.09Å; I86-V95 HydrophobicContact CD1-CG2 3.93Å; L93-V95 HydrophobicContact CD2-CG2 4Å; L93-V95 HydrophobicContact CG-CG2 3.87Å
96Y95.3Very high93.3Very high7 Ų742.9 Ų42.93%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-120.7124.9178.5-51.1-104.8000108.9L16 R18 Y30 R80 P83 F128L16-Y96 HydrophobicContact CB-CD2 4.49Å; L16-Y96 HydrophobicContact CD2-CD2 4.44Å; L16-Y96 PolarHBondContact N-O 3.36Å; L16-Y96 VanDerWaalsContact N-O 3.09Å; L16-Y96 WeakPolarHBondContact O-CD2 3.26Å; L16-Y96 PolarHBondContact O-N 3.44Å; R18-Y96 HydrophobicContact CB-CE2 4.11Å; Y30-Y96 HydrophobicContact CD1-CD2 4.41Å; Y30-Y96 AromaticContact CD1-CE2 3.87Å; Y30-Y96 HydrophobicContact CD1-CE2 3.87Å; Y30-Y96 HydrophobicContact CE1-CD2 4.49Å; Y30-Y96 AromaticContact CE1-CE2 3.58Å; Y30-Y96 HydrophobicContact CE1-CE2 3.58Å; Y30-Y96 AromaticContact CE1-CZ 3.73Å; R80-Y96 HydrophobicContact CB-CD1 3.65Å; R80-Y96 HydrophobicContact CB-CE1 3.85Å; R80-Y96 HydrophobicContact CB-CG 4.42Å; R80-Y96 HydrophobicContact CG-CD1 4.13Å; R80-Y96 HydrophobicContact CG-CE1 4.32Å; R80-Y96 HydrophobicContact CG-CG 4.48Å; R80-Y96 WeakPolarHBondContact O-CD1 3.33Å; P83-Y96 HydrophobicContact CB-CD1 3.68Å; P83-Y96 HydrophobicContact CB-CE1 3.66Å; P83-Y96 HydrophobicContact CG-CE1 4.46Å; Y96-F128 HydrophobicContact CE1-CE1 4.43Å; Y96-F128 HydrophobicContact CE1-CZ 4.1Å; Y96-F128 VanDerWaalsContact OH-CE1 3.31Å; Y96-F128 WeakPolarHBondContact OH-CE1 3.34Å
97A95.3Very high93.3Very high3 Ų343.2 Ų43.23%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-82160.2173.500000111.3L15 Y82 N99 S102 R103L15-A97 HydrophobicContact CD2-CB 4.38Å; Y82-A97 PolarHBondContact O-N 3.04Å; A97-N99 VanDerWaalsContact C-N 3.35Å; A97-S102 WeakPolarHBondContact CB-OG 3.18Å; A97-R103 HydrophobicContact CB-CB 3.74Å
98S92.6Very high93.3Very high76 Ų7649.2 Ų49.253%0.53125%0.25SC..SBendtrans-69.1-33.2177.855.20000112.6E13E13-S98 PolarHBondContact OE1-OG 3.4Å
99N93Very high93.4Very high66 Ų6648.5 Ų48.535%0.35325%0.251SS..SBendtrans-155.2175.1179.658.956.2000111.6Y82 A97 E101 S102 R103Y82-N99 VanDerWaalsContact CD2-CA 3.43Å; Y82-N99 HydrophobicContact CE2-CB 4.48Å; A97-N99 VanDerWaalsContact C-N 3.35Å; N99-E101 VanDerWaalsContact C-N 3.32Å; N99-E101 PolarHBondContact O-N 3.07Å; N99-E101 WeakPolarHBondContact OD1-CB 3.25Å; N99-E101 PolarHBondContact OD1-N 3.5Å; N99-E101 VanDerWaalsContact OD1-N 3.15Å; N99-S102 WeakPolarHBondContact OD1-CB 3.41Å; N99-S102 PolarHBondContact OD1-N 3Å; N99-R103 PolarHBondContact O-N 2.98Å
100E94.1Very high94Very high61 Ų6142.3 Ų42.329%0.28522%0.224SC..Hα-helixtrans-66-32.1-178.4-178.758.3-172.300113.7K69 Y82 R103 S104K69-E100 IonicContact NZ-OE1 2.68Å; K69-E100 PolarHBondContact NZ-OE1 3.29Å; Y82-E100 HydrophobicContact CD1-CB 3.93Å; Y82-E100 HydrophobicContact CE1-CB 3.76Å; E100-R103 PolarHBondContact O-N 2.78Å; E100-R103 IonicContact OE1-NE 2.83Å; E100-R103 IonicContact OE1-NH2 2.89Å; E100-R103 PolarHBondContact OE1-NH2 3.5Å; E100-R103 IonicContact OE2-CZ 2.69Å; E100-R103 IonicContact OE2-NE 2.68Å; E100-R103 PolarHBondContact OE2-NE 2.94Å; E100-R103 IonicContact OE2-NH2 3.29Å; E100-R103 PolarHBondContact OE2-NH2 3.4Å; E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 3.04Å; E100-S104 PolarHBondContact O-OG 3.35Å
101E94.9Very high94.6Very high151 Ų15138.7 Ų38.771%0.70620%0.204SC*.Hα-helixtrans-67.3-50.1179.4-176.3174.7-166.200110.3N99 R103 S104 Q105N99-E101 VanDerWaalsContact C-N 3.32Å; N99-E101 PolarHBondContact O-N 3.07Å; N99-E101 WeakPolarHBondContact OD1-CB 3.25Å; N99-E101 PolarHBondContact OD1-N 3.5Å; N99-E101 VanDerWaalsContact OD1-N 3.15Å; E101-R103 PolarHBondContact O-N 2.8Å; E101-S104 PolarHBondContact O-N 2.96Å; E101-Q105 WeakPolarHBondContact O-CB 3.4Å; E101-Q105 PolarHBondContact O-N 3.21Å
102S95.9Very high94.8Very high7 Ų744.2 Ų44.25%0.04922%0.219CC..Hα-helixtrans-54.7-50171.6163.30000111E13 A97 N99 S104 Q105 W106E13-S102 WeakPolarHBondContact OE1-CB 3.37Å; E13-S102 PolarHBondContact OE1-OG 3.34Å; E13-S102 PolarHBondContact OE2-OG 3.26Å; A97-S102 WeakPolarHBondContact CB-OG 3.18Å; N99-S102 WeakPolarHBondContact OD1-CB 3.41Å; N99-S102 PolarHBondContact OD1-N 3Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S102-S104 PolarHBondContact O-N 2.88Å; S102-Q105 PolarHBondContact O-N 3.13Å; S102-W106 VanDerWaalsContact O-CD1 3.28Å; S102-W106 PolarHBondContact O-N 2.77Å
103R96.7Very high95Very high29 Ų2945.2 Ų45.211%0.10922%0.223CC..Hα-helixtrans-55.7-48.2177-176.7167.368.6167.7-0.6111.8P83 F84 A97 N99 E100 E101 Q105 W106 L107P83-R103 WeakPolarHBondContact O-CD 3.45Å; P83-R103 PolarHBondContact O-NH1 2.81Å; F84-R103 HydrophobicContact CB-CG 4.43Å; F84-R103 HydrophobicContact CD1-CG 4.16Å; A97-R103 HydrophobicContact CB-CB 3.74Å; N99-R103 PolarHBondContact O-N 2.98Å; E100-R103 PolarHBondContact O-N 2.78Å; E100-R103 IonicContact OE1-NE 2.83Å; E100-R103 IonicContact OE1-NH2 2.89Å; E100-R103 PolarHBondContact OE1-NH2 3.5Å; E100-R103 IonicContact OE2-CZ 2.69Å; E100-R103 IonicContact OE2-NE 2.68Å; E100-R103 PolarHBondContact OE2-NE 2.94Å; E100-R103 IonicContact OE2-NH2 3.29Å; E100-R103 PolarHBondContact OE2-NH2 3.4Å; E101-R103 PolarHBondContact O-N 2.8Å; R103-Q105 VanDerWaalsContact C-N 3.33Å; R103-Q105 PolarHBondContact O-N 3.42Å; R103-W106 PolarHBondContact O-N 2.8Å; R103-L107 HydrophobicContact CG-CD1 4.02Å; R103-L107 HydrophobicContact CG-CG 4.41Å; R103-L107 VanDerWaalsContact O-CG 3.3Å; R103-L107 WeakPolarHBondContact O-CG 3.48Å; R103-L107 PolarHBondContact O-N 3.4Å
104S94.7Very high95Very high33 Ų3345.2 Ų45.223%0.23122%0.223CC..Hα-helixtrans-64.7-37.8-178.9-64.30000112.1E100 E101 S102 K108E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 3.04Å; E100-S104 PolarHBondContact O-OG 3.35Å; E101-S104 PolarHBondContact O-N 2.96Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S102-S104 PolarHBondContact O-N 2.88Å; S104-K108 WeakPolarHBondContact O-CB 3.18Å; S104-K108 VanDerWaalsContact O-CG 3.27Å; S104-K108 WeakPolarHBondContact O-CG 3.27Å; S104-K108 PolarHBondContact O-N 2.86Å
105Q96.9Very high94.9Very high101 Ų10151 Ų5147%0.47225%0.245SC..Hα-helixtrans-64.4-45.8175.6-177.4171.1-2000111.5L11 E101 S102 R103 K108 A109L11-Q105 HydrophobicContact CD1-CG 4.04Å; L11-Q105 HydrophobicContact CD2-CG 4.35Å; E101-Q105 WeakPolarHBondContact O-CB 3.4Å; E101-Q105 PolarHBondContact O-N 3.21Å; S102-Q105 PolarHBondContact O-N 3.13Å; R103-Q105 VanDerWaalsContact C-N 3.33Å; R103-Q105 PolarHBondContact O-N 3.42Å; Q105-K108 PolarHBondContact O-N 3.1Å; Q105-A109 WeakPolarHBondContact O-CB 3.36Å; Q105-A109 PolarHBondContact O-N 2.9Å
106W97.3Very high94.3Very high1 Ų152.6 Ų52.60%0.00426%0.262CS..Hα-helixtrans-62.7-45.5175.9-85.694.8000112.9L11 E13 L15 F35 L37 L42 F84 S102 R103 A109 L110L11-W106 HydrophobicContact CB-CH2 4.24Å; L11-W106 HydrophobicContact CB-CZ2 4.32Å; L11-W106 HydrophobicContact CD2-CB 4.36Å; L11-W106 HydrophobicContact CD2-CD2 3.27Å; L11-W106 HydrophobicContact CD2-CE3 3.68Å; L11-W106 HydrophobicContact CD2-CG 3.62Å; L11-W106 HydrophobicContact CD2-CH2 4.07Å; L11-W106 HydrophobicContact CD2-CZ2 3.71Å; L11-W106 HydrophobicContact CD2-CZ3 4.06Å; L11-W106 HydrophobicContact CG-CD2 4.25Å; L11-W106 HydrophobicContact CG-CH2 4.14Å; L11-W106 HydrophobicContact CG-CZ2 3.74Å; E13-W106 HydrophobicContact CB-CZ2 3.83Å; E13-W106 VanDerWaalsContact OE2-CD1 3.3Å; E13-W106 PolarHBondContact OE2-NE1 3.1Å; L15-W106 HydrophobicContact CD1-CD2 3.93Å; L15-W106 HydrophobicContact CD1-CE3 4.47Å; L15-W106 HydrophobicContact CD1-CG 4.35Å; L15-W106 HydrophobicContact CD1-CH2 4.47Å; L15-W106 HydrophobicContact CD1-CZ2 3.91Å; F35-W106 HydrophobicContact CB-CH2 3.64Å; F35-W106 HydrophobicContact CB-CZ2 4.02Å; F35-W106 HydrophobicContact CB-CZ3 4.34Å; L37-W106 HydrophobicContact CB-CH2 4.26Å; L37-W106 HydrophobicContact CB-CZ3 3.93Å; L42-W106 HydrophobicContact CD1-CH2 4.39Å; L42-W106 HydrophobicContact CD1-CZ3 3.72Å; F84-W106 HydrophobicContact CE1-CB 4.38Å; F84-W106 HydrophobicContact CE2-CB 4.48Å; F84-W106 HydrophobicContact CZ-CB 4Å; F84-W106 HydrophobicContact CZ-CG 4.27Å; S102-W106 VanDerWaalsContact O-CD1 3.28Å; S102-W106 PolarHBondContact O-N 2.77Å; R103-W106 PolarHBondContact O-N 2.8Å; W106-A109 PolarHBondContact O-N 3.46Å; W106-L110 HydrophobicContact CE3-CD1 4.13Å; W106-L110 HydrophobicContact CE3-CG 4.45Å; W106-L110 WeakPolarHBondContact O-CB 3.31Å; W106-L110 WeakPolarHBondContact O-CG 3.47Å; W106-L110 PolarHBondContact O-N 2.83Å
107L96.1Very high94Very high8 Ų853.4 Ų53.44%0.04227%0.267CS..Hα-helixtrans-59.6-50177.1-72173.4000111V67 K69 F84 R103 A109 L110 Q111V67-L107 HydrophobicContact CG1-CD2 3.69Å; K69-L107 HydrophobicContact CD-CD1 4.28Å; K69-L107 HydrophobicContact CG-CD1 3.54Å; F84-L107 HydrophobicContact CB-CD2 3.89Å; F84-L107 HydrophobicContact CB-CG 4.49Å; F84-L107 HydrophobicContact CD2-CD2 4.18Å; F84-L107 HydrophobicContact CG-CD2 4.25Å; R103-L107 HydrophobicContact CG-CD1 4.02Å; R103-L107 HydrophobicContact CG-CG 4.41Å; R103-L107 VanDerWaalsContact O-CG 3.3Å; R103-L107 WeakPolarHBondContact O-CG 3.48Å; R103-L107 PolarHBondContact O-N 3.4Å; L107-A109 PolarHBondContact O-N 3.32Å; L107-L110 PolarHBondContact O-N 3.05Å; L107-Q111 WeakPolarHBondContact O-CB 3.49Å; L107-Q111 WeakPolarHBondContact O-CG 3.25Å; L107-Q111 PolarHBondContact O-N 3.21Å
108K94.8Very high93Very high152 Ų15257.2 Ų57.266%0.66129%0.291SS*.Hα-helixtrans-60.3-45.1178.8-75174.4-178.3176.80112.1S104 Q105 K112S104-K108 WeakPolarHBondContact O-CB 3.18Å; S104-K108 VanDerWaalsContact O-CG 3.27Å; S104-K108 WeakPolarHBondContact O-CG 3.27Å; S104-K108 PolarHBondContact O-N 2.86Å; Q105-K108 PolarHBondContact O-N 3.1Å; K108-K112 VanDerWaalsContact O-CB 3.3Å; K108-K112 WeakPolarHBondContact O-CB 3.47Å; K108-K112 PolarHBondContact O-N 3.1Å
109A95.6Very high92.7Very high18 Ų1860.6 Ų60.615%0.14930%0.298CS..Hα-helixtrans-64.2-49179.900000111.4L11 L37 Q105 W106 L107 K112 E113L11-A109 HydrophobicContact CD2-CB 4.18Å; L37-A109 HydrophobicContact CD2-CB 3.78Å; Q105-A109 WeakPolarHBondContact O-CB 3.36Å; Q105-A109 PolarHBondContact O-N 2.9Å; W106-A109 PolarHBondContact O-N 3.46Å; L107-A109 PolarHBondContact O-N 3.32Å; A109-K112 WeakPolarHBondContact O-CB 3.41Å; A109-K112 PolarHBondContact O-N 2.91Å; A109-E113 WeakPolarHBondContact O-CG 2.91Å; A109-E113 PolarHBondContact O-N 2.87Å; A109-E113 VanDerWaalsContact O-N 3.13Å
110L96.1Very high92.5Very high0 Ų058 Ų580%028%0.284CS..Hα-helixtrans-65.2-43.7178.9-76.4166.9000112.3L37 L42 I61 I64 V67 F84 I86 W106 L107 K112 E113 I114L37-L110 HydrophobicContact CD1-CD2 3.65Å; L37-L110 HydrophobicContact CD2-CD2 4.12Å; L37-L110 HydrophobicContact CD2-CG 4.25Å; L42-L110 HydrophobicContact CD1-CD2 4.48Å; L42-L110 HydrophobicContact CD2-CD2 4.15Å; I61-L110 HydrophobicContact CD1-CD2 4.44Å; I64-L110 HydrophobicContact CD1-CD2 4.41Å; V67-L110 HydrophobicContact CB-CB 4.32Å; V67-L110 HydrophobicContact CG1-CB 3.87Å; V67-L110 HydrophobicContact CG1-CD1 3.8Å; V67-L110 HydrophobicContact CG1-CG 4.49Å; V67-L110 HydrophobicContact CG2-CB 4.14Å; V67-L110 HydrophobicContact CG2-CD1 4.48Å; F84-L110 HydrophobicContact CE2-CD1 4.05Å; I86-L110 HydrophobicContact CD1-CD1 4.37Å; I86-L110 HydrophobicContact CG1-CD1 4.27Å; W106-L110 HydrophobicContact CE3-CD1 4.13Å; W106-L110 HydrophobicContact CE3-CG 4.45Å; W106-L110 WeakPolarHBondContact O-CB 3.31Å; W106-L110 WeakPolarHBondContact O-CG 3.47Å; W106-L110 PolarHBondContact O-N 2.83Å; L107-L110 PolarHBondContact O-N 3.05Å; L110-K112 VanDerWaalsContact C-N 3.28Å; L110-K112 PolarHBondContact O-N 3.24Å; L110-E113 PolarHBondContact O-N 3.24Å; L110-I114 WeakPolarHBondContact O-CG1 3.17Å; L110-I114 WeakPolarHBondContact O-CG2 3.42Å; L110-I114 PolarHBondContact O-N 3.31Å
111Q95Very high92.1Very high34 Ų3457.6 Ų57.616%0.15928%0.284CS..Hα-helixtrans-60.3-39.4176.6-75.2177.6-4.100111.4V67 E68 L107 I114 R115 W150 L156V67-Q111 PolarHBondContact O-NE2 3.31Å; E68-Q111 PolarHBondContact OE2-NE2 3.2Å; L107-Q111 WeakPolarHBondContact O-CB 3.49Å; L107-Q111 WeakPolarHBondContact O-CG 3.25Å; L107-Q111 PolarHBondContact O-N 3.21Å; Q111-I114 WeakPolarHBondContact O-CG1 3.17Å; Q111-R115 PolarHBondContact O-N 2.99Å; Q111-W150 HydrophobicContact CG-CZ2 4.11Å; Q111-L156 HydrophobicContact CB-CD1 4.17Å; Q111-L156 HydrophobicContact CB-CD2 4.2Å; Q111-L156 HydrophobicContact CG-CD1 4.15Å; Q111-L156 WeakPolarHBondContact O-CD2 3.24Å
112K93.6Very high91.4Very high144 Ų14453.2 Ų53.263%0.62627%0.265SS*.Hα-helixtrans-60.7-46174.2-177.2-176.3176.5-174.90112.1K108 A109 L110 R115K108-K112 VanDerWaalsContact O-CB 3.3Å; K108-K112 WeakPolarHBondContact O-CB 3.47Å; K108-K112 PolarHBondContact O-N 3.1Å; A109-K112 WeakPolarHBondContact O-CB 3.41Å; A109-K112 PolarHBondContact O-N 2.91Å; L110-K112 VanDerWaalsContact C-N 3.28Å; L110-K112 PolarHBondContact O-N 3.24Å; K112-R115 WeakPolarHBondContact O-CB 3.44Å; K112-R115 PolarHBondContact O-N 3.09Å
113E94.1Very high90.8Very high42 Ų4255.6 Ų55.620%0.19627%0.274CS..Hα-helixtrans-74.6-23.9-176.2-62.2-53.8125.500113.5I10 I61 A109 L110I10-E113 HydrophobicContact CD1-CG 3.9Å; I61-E113 HydrophobicContact CG2-CB 3.96Å; I61-E113 WeakPolarHBondContact CG2-O 3.46Å; A109-E113 WeakPolarHBondContact O-CG 2.91Å; A109-E113 PolarHBondContact O-N 2.87Å; A109-E113 VanDerWaalsContact O-N 3.13Å; L110-E113 PolarHBondContact O-N 3.24Å
114I94.3Very high90.5Very high0 Ų055.4 Ų55.40%027%0.274CS..THydrogen-bonded Turntrans-90.8-0.717769.4-173.4000113.6I61 I64 V67 L110 Q111 G116 N117 L120 W150I61-I114 HydrophobicContact CG2-CG2 3.93Å; I64-I114 HydrophobicContact CB-CG2 3.76Å; I64-I114 HydrophobicContact CD1-CG2 4.25Å; I64-I114 HydrophobicContact CG2-CD1 4.31Å; I64-I114 HydrophobicContact CG2-CG2 3.81Å; V67-I114 HydrophobicContact CB-CD1 4.26Å; V67-I114 HydrophobicContact CG2-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CG1 3.17Å; L110-I114 WeakPolarHBondContact O-CG2 3.42Å; L110-I114 PolarHBondContact O-N 3.31Å; Q111-I114 WeakPolarHBondContact O-CG1 3.17Å; I114-G116 PolarHBondContact O-N 2.88Å; I114-N117 WeakPolarHBondContact CB-ND2 3.22Å; I114-N117 VanDerWaalsContact O-CB 3.24Å; I114-N117 WeakPolarHBondContact O-CB 3.42Å; I114-N117 PolarHBondContact O-N 3.33Å; I114-L120 HydrophobicContact CB-CD2 4.35Å; I114-L120 HydrophobicContact CD1-CD2 4.28Å; I114-L120 HydrophobicContact CG1-CD2 4.29Å; I114-W150 HydrophobicContact CD1-CH2 3.73Å; I114-W150 HydrophobicContact CD1-CZ2 4.39Å
115R91.1Very high90.3Very high137 Ų13754.4 Ų54.452%0.51727%0.265SS..THydrogen-bonded Turntrans-58.5128177.2178.9178.9-81.7164.8-2.2109.5Q111 K112 N117 N155 L156 A159Q111-R115 PolarHBondContact O-N 2.99Å; K112-R115 WeakPolarHBondContact O-CB 3.44Å; K112-R115 PolarHBondContact O-N 3.09Å; R115-N117 VanDerWaalsContact C-N 3.31Å; R115-N155 PolarHBondContact NE-O 3.23Å; R115-N155 VanDerWaalsContact NE-O 3.16Å; R115-N155 PolarHBondContact NH2-O 3.24Å; R115-L156 WeakPolarHBondContact CA-O 3.49Å; R115-L156 HydrophobicContact CB-CD2 4.08Å; R115-L156 WeakPolarHBondContact CG-O 3.43Å; R115-A159 HydrophobicContact CG-CB 4.3Å
116G83.6Confident90.1Very high35 Ų3550.1 Ų50.136%0.36125%0.246SC..THydrogen-bonded Turntrans79.83.4-17700000115.1I114 L156I114-G116 PolarHBondContact O-N 2.88Å; G116-L156 PolarHBondContact N-O 3.34Å
117N89.3Confident89.7Confident23 Ų2350.3 Ų50.312%0.12325%0.249CC..  trans-60.4140.2174.4-84.6-4.5000111.7I61 I64 I114 R115 L120I61-N117 PolarHBondContact O-ND2 3.48Å; I64-N117 PolarHBondContact O-ND2 3.21Å; I64-N117 VanDerWaalsContact O-ND2 3.16Å; I114-N117 WeakPolarHBondContact CB-ND2 3.22Å; I114-N117 VanDerWaalsContact O-CB 3.24Å; I114-N117 WeakPolarHBondContact O-CB 3.42Å; I114-N117 PolarHBondContact O-N 3.33Å; R115-N117 VanDerWaalsContact C-N 3.31Å; N117-L120 HydrophobicContact CB-CD2 3.99Å; N117-L120 HydrophobicContact CB-CG 4.12Å
118P74.6Confident89.4Confident83 Ų8350.1 Ų50.154%0.53925%0.247SC..THydrogen-bonded Turntrans-68.2139.6172.629.8-34.1000110.1
119H84.8Confident89.1Confident147 Ų14743.7 Ų43.768%0.68122%0.22SC*.THydrogen-bonded Turntrans6634.1177.2-42.8-74000115.9R65 L121R65-H119 WeakPolarHBondContact CB-O 3.37Å; R65-H119 WeakPolarHBondContact CG-O 3.13Å; H119-L121 PolarHBondContact O-N 3.08Å
120L89.4Confident88.5Confident12 Ų1244 Ų446%0.06322%0.22CC..  trans-54.5137.9162.7-70.6177000110.2R65 I114 N117 W150 Y153 L156R65-L120 CarbonylContact O-C 3.6Å; R65-L120 WeakPolarHBondContact O-CA 3.06Å; R65-L120 WeakPolarHBondContact O-CD2 3.38Å; I114-L120 HydrophobicContact CB-CD2 4.35Å; I114-L120 HydrophobicContact CD1-CD2 4.28Å; I114-L120 HydrophobicContact CG1-CD2 4.29Å; N117-L120 HydrophobicContact CB-CD2 3.99Å; N117-L120 HydrophobicContact CB-CG 4.12Å; L120-W150 HydrophobicContact CD2-CZ3 4.25Å; L120-Y153 HydrophobicContact CB-CD2 4.09Å; L120-Y153 HydrophobicContact CB-CE2 3.78Å; L120-L156 HydrophobicContact CD1-CB 3.93Å
121L84.8Confident87.8Confident52 Ų5249.5 Ų49.527%0.27225%0.249SC..  trans-79.2132.4178.8-61.4177.3000110R65 C66 V87 H119 K123 W150 Y153R65-L121 HydrophobicContact CB-CD1 4.28Å; R65-L121 HydrophobicContact CB-CD2 4.42Å; R65-L121 HydrophobicContact CB-CG 3.78Å; R65-L121 PolarHBondContact O-N 2.88Å; C66-L121 HydrophobicContact CB-CB 4.26Å; C66-L121 HydrophobicContact CB-CD1 4.14Å; C66-L121 HydrophobicContact CB-CG 4.47Å; V87-L121 HydrophobicContact CB-CD1 4.24Å; V87-L121 HydrophobicContact CG1-CD1 3.8Å; H119-L121 PolarHBondContact O-N 3.08Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 WeakPolarHBondContact CB-O 3.25Å; L121-W150 VanDerWaalsContact O-CE3 3.28Å; L121-Y153 WeakPolarHBondContact O-CD2 3.38Å
122I81.6Confident87.1Confident60 Ų6048.7 Ų48.731%0.30825%0.25SS..SBendtrans-73.4-31.8172.3-60.9164.9000110.5L149 W150 Y153 Y590I122-L149 HydrophobicContact CG2-CD1 3.92Å; I122-W150 PolarHBondContact O-N 2.86Å; I122-Y153 HydrophobicContact CD1-CE1 4.48Å; I122-Y153 HydrophobicContact CG1-CD1 4.19Å; I122-Y153 HydrophobicContact CG1-CD2 4.26Å; I122-Y153 HydrophobicContact CG1-CE1 3.71Å; I122-Y153 HydrophobicContact CG1-CE2 3.78Å; I122-Y153 HydrophobicContact CG1-CG 4.45Å; I122-Y153 VanDerWaalsContact CG1-CZ 3.48Å; I122-Y590 HydrophobicContact CG2-CE1 4.03Å
123K81.7Confident86.7Confident56 Ų5646 Ų4624%0.24324%0.238CC..EExtended strand (participates in β ladder)trans-126.7145.6179.2-61.6-177.7-178171.70111.1L121 G146 T148L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 WeakPolarHBondContact CB-O 3.25Å; K123-G146 VanDerWaalsContact CB-O 3.27Å; K123-G146 WeakPolarHBondContact CB-O 3.31Å; K123-G146 WeakPolarHBondContact CD-O 3.44Å; K123-T148 CarbonylContact C-O 3.59Å; K123-T148 WeakPolarHBondContact CA-O 3.35Å; K123-T148 WeakPolarHBondContact CB-O 3.32Å
124Y90.7Very high86.3Confident26 Ų2644.1 Ų44.110%0.10223%0.229CC..EExtended strand (participates in β ladder)trans-130170177.777.1-74.3000110.2C66 E68 K69 Q85 G146 C147 T148 W150C66-Y124 WeakPolarHBondContact SG-CB 3.43Å; E68-Y124 HydrophobicContact CB-CD2 4.03Å; E68-Y124 HydrophobicContact CB-CE1 4.45Å; E68-Y124 HydrophobicContact CB-CE2 3.74Å; E68-Y124 HydrophobicContact CB-CG 4.48Å; E68-Y124 HydrophobicContact CG-CD2 4.36Å; E68-Y124 HydrophobicContact CG-CE1 3.91Å; E68-Y124 HydrophobicContact CG-CE2 3.64Å; E68-Y124 WeakPolarHBondContact CG-OH 3.45Å; K69-Y124 WeakPolarHBondContact O-CE2 3.14Å; Q85-Y124 VanDerWaalsContact NE2-CD2 3.27Å; Y124-G146 VanDerWaalsContact C-CA 3.48Å; Y124-G146 CarbonylContact O-C 3.4Å; Y124-G146 WeakPolarHBondContact O-CA 3.38Å; Y124-C147 PolarHBondContact O-N 3Å; Y124-T148 HydrophobicContact CD1-CG2 4.49Å; Y124-T148 WeakPolarHBondContact CD1-O 3.09Å; Y124-T148 HydrophobicContact CE1-CG2 3.75Å; Y124-T148 PolarHBondContact N-O 3.22Å; Y124-T148 WeakPolarHBondContact O-CB 3.43Å; Y124-T148 PolarHBondContact O-N 3.35Å; Y124-W150 HydrophobicContact CD1-CB 3.89Å; Y124-W150 HydrophobicContact CD1-CG 4.33Å; Y124-W150 HydrophobicContact CE1-CB 4.36Å
125H91.1Very high86Confident11 Ų1147.7 Ų47.75%0.05125%0.248CC..  trans-94.2112.6174.4-71.2-70.2000109.4Q85 G127 F134 C136 C137 A144 P145 C147Q85-H125 PolarHBondContact NE2-O 3.26Å; Q85-H125 PolarHBondContact OE1-O 2.73Å; H125-G127 VanDerWaalsContact C-N 3.27Å; H125-G127 PolarHBondContact O-N 3.1Å; H125-F134 HydrophobicContact CB-CD1 3.45Å; H125-F134 VanDerWaalsContact CB-CD1 3.45Å; H125-F134 HydrophobicContact CB-CE1 3.52Å; H125-F134 HydrophobicContact CB-CG 4.05Å; H125-F134 HydrophobicContact CB-CZ 4.16Å; H125-F134 AromaticContact CD2-CD1 3.93Å; H125-F134 AromaticContact CD2-CD2 3.69Å; H125-F134 AromaticContact CD2-CE1 3.58Å; H125-F134 AromaticContact CD2-CE2 3.3Å; H125-F134 WeakPolarHBondContact CD2-CE2 3.43Å; H125-F134 AromaticContact CD2-CG 3.98Å; H125-F134 AromaticContact CD2-CZ 3.25Å; H125-F134 WeakPolarHBondContact CD2-CZ 3.48Å; H125-F134 AromaticContact CE1-CD2 3.69Å; H125-F134 AromaticContact CE1-CE2 3.98Å; H125-F134 AromaticContact CG-CD1 3.55Å; H125-F134 AromaticContact CG-CD2 3.83Å; H125-F134 AromaticContact CG-CE1 3.6Å; H125-F134 AromaticContact CG-CE2 3.87Å; H125-F134 AromaticContact CG-CG 3.67Å; H125-F134 AromaticContact CG-CZ 3.77Å; H125-F134 AromaticContact ND1-CD2 3.87Å; H125-F134 AromaticContact ND1-CG 3.76Å; H125-F134 AromaticContact NE2-CD2 3.59Å; H125-F134 AromaticContact NE2-CE2 3.38Å; H125-F134 WeakPolarHBondContact NE2-CE2 3.47Å; H125-F134 AromaticContact NE2-CZ 3.86Å; H125-C136 PolarHBondContact ND1-SG 3.44Å; H125-C136 VanDerWaalsContact ND1-SG 3.37Å; H125-C137 VanDerWaalsContact CE1-SG 3.55Å; H125-A144 PolarHBondContact NE2-O 3.46Å; H125-P145 PolarHBondContact CE1-O 2.58Å; H125-P145 PolarHBondContact NE2-O 2.98Å; H125-C147 PolarHBondContact ND1-N 3.45Å
126S91.9Very high85.6Confident11 Ų1143.4 Ų43.48%0.07724%0.239CC..  trans-71-21.3179.151.80000113.5V70 N71 T148V70-S126 CarbonylContact C-O 3.5Å; V70-S126 WeakPolarHBondContact CA-O 3.47Å; V70-S126 WeakPolarHBondContact CG1-O 3.37Å; N71-S126 PolarHBondContact N-O 3.27Å; S126-T148 WeakPolarHBondContact CB-OG1 3.45Å; S126-T148 PolarHBondContact OG-OG1 3.4Å
127G89.9Confident85.5Confident5 Ų543.8 Ų43.85%0.05224%0.235CC..SBendtrans-99.3157.5179.200000113.6H125H125-G127 VanDerWaalsContact C-N 3.27Å; H125-G127 PolarHBondContact O-N 3.1Å
128F90.3Very high85.4Confident4 Ų447.8 Ų47.82%0.01825%0.253CS..  trans-63154.2176.5-70.9-76.8000112.9V70 N71 E73 P83 Y94 Y96 V130 F134 L135V70-F128 HydrophobicContact CB-CE1 4.34Å; V70-F128 HydrophobicContact CB-CZ 4.19Å; V70-F128 HydrophobicContact CG1-CD1 3.83Å; V70-F128 HydrophobicContact CG1-CD2 3.83Å; V70-F128 HydrophobicContact CG1-CE1 3.75Å; V70-F128 HydrophobicContact CG1-CE2 3.75Å; V70-F128 HydrophobicContact CG1-CG 3.88Å; V70-F128 HydrophobicContact CG1-CZ 3.71Å; N71-F128 WeakPolarHBondContact O-CE2 3.19Å; E73-F128 HydrophobicContact CG-CD2 3.74Å; E73-F128 HydrophobicContact CG-CE2 4.1Å; E73-F128 WeakPolarHBondContact OE1-CD2 3.01Å; P83-F128 HydrophobicContact CB-CE1 4.36Å; P83-F128 HydrophobicContact CB-CZ 3.78Å; P83-F128 HydrophobicContact CG-CZ 3.98Å; Y94-F128 AromaticContact CD1-CD1 3.84Å; Y94-F128 HydrophobicContact CD1-CD1 3.84Å; Y94-F128 AromaticContact CD1-CE1 3.86Å; Y94-F128 HydrophobicContact CD1-CE1 3.86Å; Y94-F128 HydrophobicContact CD2-CD1 4.19Å; Y94-F128 AromaticContact CE1-CD1 3.77Å; Y94-F128 HydrophobicContact CE1-CD1 3.77Å; Y94-F128 HydrophobicContact CE1-CE1 4.21Å; Y94-F128 HydrophobicContact CE2-CD1 4.14Å; Y94-F128 HydrophobicContact CG-CD1 4.04Å; Y94-F128 HydrophobicContact CG-CE1 4.07Å; Y94-F128 AromaticContact CZ-CD1 3.92Å; Y96-F128 HydrophobicContact CE1-CE1 4.43Å; Y96-F128 HydrophobicContact CE1-CZ 4.1Å; Y96-F128 VanDerWaalsContact OH-CE1 3.31Å; Y96-F128 WeakPolarHBondContact OH-CE1 3.34Å; F128-V130 HydrophobicContact CB-CG2 3.81Å; F128-F134 CarbonylContact O-C 3.46Å; F128-F134 WeakPolarHBondContact O-CA 3.5Å; F128-L135 HydrophobicContact CB-CD1 4.17Å; F128-L135 WeakPolarHBondContact O-CG 3.31Å; F128-L135 PolarHBondContact O-N 3.14Å
129F87.7Confident85.4Confident18 Ų1846.9 Ų46.98%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-95.1108.8167.7-169.3-88.6000108.7R18 L92 Y94 G132 K133 F134 K142R18-F129 PolarHBondContact NH2-O 3.37Å; L92-F129 HydrophobicContact CD2-CB 4.47Å; Y94-F129 HydrophobicContact CE2-CB 4.46Å; Y94-F129 PolarHBondContact OH-N 2.96Å; F129-G132 VanDerWaalsContact CZ-CA 3.49Å; F129-G132 WeakPolarHBondContact CZ-O 3.33Å; F129-K133 CarbonylContact C-O 3.56Å; F129-K133 WeakPolarHBondContact CA-O 3.47Å; F129-F134 HydrophobicContact CB-CD1 3.93Å; F129-F134 HydrophobicContact CB-CE1 3.8Å; F129-F134 HydrophobicContact CB-CZ 4.37Å; F129-F134 AromaticContact CD2-CD1 3.89Å; F129-F134 HydrophobicContact CD2-CD1 3.89Å; F129-F134 AromaticContact CD2-CD2 3.66Å; F129-F134 HydrophobicContact CD2-CD2 3.66Å; F129-F134 AromaticContact CD2-CE1 3.88Å; F129-F134 HydrophobicContact CD2-CE1 3.88Å; F129-F134 AromaticContact CD2-CE2 3.66Å; F129-F134 HydrophobicContact CD2-CE2 3.66Å; F129-F134 AromaticContact CD2-CG 3.78Å; F129-F134 HydrophobicContact CD2-CG 3.78Å; F129-F134 AromaticContact CD2-CZ 3.76Å; F129-F134 HydrophobicContact CD2-CZ 3.76Å; F129-F134 HydrophobicContact CE2-CD2 4.11Å; F129-F134 HydrophobicContact CE2-CE2 4.11Å; F129-F134 HydrophobicContact CG-CD1 4.43Å; F129-F134 HydrophobicContact CG-CE1 4.31Å; F129-F134 HydrophobicContact CG-CZ 4.46Å; F129-K142 HydrophobicContact CD1-CD 4.1Å; F129-K142 HydrophobicContact CD1-CG 3.69Å; F129-K142 HydrophobicContact CD2-CG 3.86Å; F129-K142 HydrophobicContact CE1-CD 4.07Å; F129-K142 HydrophobicContact CE1-CG 3.54Å; F129-K142 HydrophobicContact CE2-CG 3.73Å; F129-K142 HydrophobicContact CG-CG 3.83Å; F129-K142 HydrophobicContact CZ-CG 3.56Å
130V83.7Confident85.4Confident24 Ų2444.5 Ų44.515%0.14524%0.242CC..EExtended strand (participates in β ladder)trans-134.1139.5-174.1-175.40000108.2F128 G132 K133 L135F128-V130 HydrophobicContact CB-CG2 3.81Å; V130-G132 PolarHBondContact O-N 2.98Å; V130-K133 PolarHBondContact N-O 2.92Å; V130-K133 WeakPolarHBondContact O-CG 3.36Å; V130-K133 PolarHBondContact O-N 3.46Å; V130-L135 HydrophobicContact CG2-CD1 4.24Å; V130-L135 HydrophobicContact CG2-CG 4.46Å
131D80.6Confident84.9Confident115 Ų11547.1 Ų47.162%0.61526%0.26SS*.THydrogen-bonded Turntrans51.733.7177.5-56.5-27.5000115.2
132G80.9Confident84.7Confident18 Ų1849 Ų4919%0.18627%0.266CS..THydrogen-bonded Turntrans82.414.1178.800000114.5F129 V130 S140F129-G132 VanDerWaalsContact CZ-CA 3.49Å; F129-G132 WeakPolarHBondContact CZ-O 3.33Å; V130-G132 PolarHBondContact O-N 2.98Å; G132-S140 CarbonylContact O-C 3.55Å; G132-S140 WeakPolarHBondContact O-CA 3.32Å
133K85Confident84.5Confident86 Ų8650.6 Ų50.637%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-144.9153.4179.255.6-176.6-171.9160.10113.7F129 V130 Q138 Q139F129-K133 CarbonylContact C-O 3.56Å; F129-K133 WeakPolarHBondContact CA-O 3.47Å; V130-K133 PolarHBondContact N-O 2.92Å; V130-K133 WeakPolarHBondContact O-CG 3.36Å; V130-K133 PolarHBondContact O-N 3.46Å; K133-Q138 VanDerWaalsContact NZ-OE1 3.11Å; K133-Q139 CarbonylContact C-O 3.57Å; K133-Q139 WeakPolarHBondContact CA-O 3.44Å
134F86.4Confident84.1Confident3 Ų349 Ų491%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-81.1129.1171.7-76.5-73.2000111.1L92 H125 F128 F129 C136 C137 Q138 Q139 C141L92-F134 HydrophobicContact CD2-CE1 3.92Å; L92-F134 HydrophobicContact CD2-CZ 4.16Å; H125-F134 HydrophobicContact CB-CD1 3.45Å; H125-F134 VanDerWaalsContact CB-CD1 3.45Å; H125-F134 HydrophobicContact CB-CE1 3.52Å; H125-F134 HydrophobicContact CB-CG 4.05Å; H125-F134 HydrophobicContact CB-CZ 4.16Å; H125-F134 AromaticContact CD2-CD1 3.93Å; H125-F134 AromaticContact CD2-CD2 3.69Å; H125-F134 AromaticContact CD2-CE1 3.58Å; H125-F134 AromaticContact CD2-CE2 3.3Å; H125-F134 WeakPolarHBondContact CD2-CE2 3.43Å; H125-F134 AromaticContact CD2-CG 3.98Å; H125-F134 AromaticContact CD2-CZ 3.25Å; H125-F134 WeakPolarHBondContact CD2-CZ 3.48Å; H125-F134 AromaticContact CE1-CD2 3.69Å; H125-F134 AromaticContact CE1-CE2 3.98Å; H125-F134 AromaticContact CG-CD1 3.55Å; H125-F134 AromaticContact CG-CD2 3.83Å; H125-F134 AromaticContact CG-CE1 3.6Å; H125-F134 AromaticContact CG-CE2 3.87Å; H125-F134 AromaticContact CG-CG 3.67Å; H125-F134 AromaticContact CG-CZ 3.77Å; H125-F134 AromaticContact ND1-CD2 3.87Å; H125-F134 AromaticContact ND1-CG 3.76Å; H125-F134 AromaticContact NE2-CD2 3.59Å; H125-F134 AromaticContact NE2-CE2 3.38Å; H125-F134 WeakPolarHBondContact NE2-CE2 3.47Å; H125-F134 AromaticContact NE2-CZ 3.86Å; F128-F134 CarbonylContact O-C 3.46Å; F128-F134 WeakPolarHBondContact O-CA 3.5Å; F129-F134 HydrophobicContact CB-CD1 3.93Å; F129-F134 HydrophobicContact CB-CE1 3.8Å; F129-F134 HydrophobicContact CB-CZ 4.37Å; F129-F134 AromaticContact CD2-CD1 3.89Å; F129-F134 HydrophobicContact CD2-CD1 3.89Å; F129-F134 AromaticContact CD2-CD2 3.66Å; F129-F134 HydrophobicContact CD2-CD2 3.66Å; F129-F134 AromaticContact CD2-CE1 3.88Å; F129-F134 HydrophobicContact CD2-CE1 3.88Å; F129-F134 AromaticContact CD2-CE2 3.66Å; F129-F134 HydrophobicContact CD2-CE2 3.66Å; F129-F134 AromaticContact CD2-CG 3.78Å; F129-F134 HydrophobicContact CD2-CG 3.78Å; F129-F134 AromaticContact CD2-CZ 3.76Å; F129-F134 HydrophobicContact CD2-CZ 3.76Å; F129-F134 HydrophobicContact CE2-CD2 4.11Å; F129-F134 HydrophobicContact CE2-CE2 4.11Å; F129-F134 HydrophobicContact CG-CD1 4.43Å; F129-F134 HydrophobicContact CG-CE1 4.31Å; F129-F134 HydrophobicContact CG-CZ 4.46Å; F134-C136 VanDerWaalsContact C-N 3.26Å; F134-C136 PolarHBondContact O-N 3.49Å; F134-C137 PolarHBondContact O-N 3.49Å; F134-Q138 VanDerWaalsContact O-CA 3.23Å; F134-Q138 WeakPolarHBondContact O-CA 3.46Å; F134-Q138 PolarHBondContact O-N 3.09Å; F134-Q139 HydrophobicContact CD2-CB 4.31Å; F134-Q139 PolarHBondContact N-O 3.16Å; F134-C141 VanDerWaalsContact CE2-O 3.28Å; F134-C141 WeakPolarHBondContact CE2-O 3.26Å
135L87.2Confident83.5Confident75 Ų7552.2 Ų52.239%0.39331%0.31SS..THydrogen-bonded Turntrans-65.7-26.9179.7-64.2-178.5000113.2E73 F128 V130E73-L135 HydrophobicContact CG-CD1 4.19Å; F128-L135 HydrophobicContact CB-CD1 4.17Å; F128-L135 WeakPolarHBondContact O-CG 3.31Å; F128-L135 PolarHBondContact O-N 3.14Å; V130-L135 HydrophobicContact CG2-CD1 4.24Å; V130-L135 HydrophobicContact CG2-CG 4.46Å
136C83.3Confident83Confident47 Ų4752.3 Ų52.332%0.31831%0.314SS..THydrogen-bonded Turntrans-71.9-27.7-179.868.90000114.4H125 F134 C147H125-C136 PolarHBondContact ND1-SG 3.44Å; H125-C136 VanDerWaalsContact ND1-SG 3.37Å; F134-C136 VanDerWaalsContact C-N 3.26Å; F134-C136 PolarHBondContact O-N 3.49Å; C136-C147 HydrophobicContact CB-CB 4.41Å; C136-C147 WeakPolarHBondContact CB-SG 3.36Å; C136-C147 WeakPolarHBondContact SG-CB 2.84Å; C136-C147 CovalentContact SG-SG 2.07Å; C136-C147 PolarHBondContact SG-SG 3.36Å
137C80.9Confident82.5Confident43 Ų4354 Ų5429%0.29133%0.325SS..THydrogen-bonded Turntrans-1493.8-167.164.50000114.7H125 F134 Q139 C147H125-C137 VanDerWaalsContact CE1-SG 3.55Å; F134-C137 PolarHBondContact O-N 3.49Å; C137-Q139 HydrophobicContact CB-CG 4.41Å; C137-Q139 PolarHBondContact O-N 2.74Å; C137-Q139 WeakPolarHBondContact SG-CG 3.34Å; C137-Q139 PolarHBondContact SG-NE2 3.08Å; C137-C147 HydrophobicContact CB-CB 3.59Å
138Q87.4Confident82.2Confident108 Ų10855.8 Ų55.851%0.50534%0.335SS..  trans60.68.6-179.5-51.3-63-29.900115.7K133 F134 S140K133-Q138 VanDerWaalsContact NZ-OE1 3.11Å; F134-Q138 VanDerWaalsContact O-CA 3.23Å; F134-Q138 WeakPolarHBondContact O-CA 3.46Å; F134-Q138 PolarHBondContact O-N 3.09Å; Q138-S140 PolarHBondContact O-N 3.29Å
139Q74.5Confident81.7Confident63 Ų6359.1 Ų59.129%0.29435%0.352SS..  trans-62.3133.7175.7-69.4179.247.200111.1K133 F134 C137 A144 P145K133-Q139 CarbonylContact C-O 3.57Å; K133-Q139 WeakPolarHBondContact CA-O 3.44Å; F134-Q139 HydrophobicContact CD2-CB 4.31Å; F134-Q139 PolarHBondContact N-O 3.16Å; C137-Q139 HydrophobicContact CB-CG 4.41Å; C137-Q139 PolarHBondContact O-N 2.74Å; C137-Q139 WeakPolarHBondContact SG-CG 3.34Å; C137-Q139 PolarHBondContact SG-NE2 3.08Å; Q139-A144 HydrophobicContact CB-CB 4.13Å; Q139-P145 PolarHBondContact NE2-O 3.06Å; Q139-P145 PolarHBondContact OE1-O 3.31Å
140S83.6Confident81.7Confident98 Ų9858.4 Ų58.469%0.68535%0.349SS*.  trans-95.49.3-16757.80000115.6G132 Q138G132-S140 CarbonylContact O-C 3.55Å; G132-S140 WeakPolarHBondContact O-CA 3.32Å; Q138-S140 PolarHBondContact O-N 3.29Å
141C79.9Confident81.6Confident66 Ų6665.5 Ų65.545%0.44638%0.381SS..  trans-130.8131-176.6176.90000111.2F134 A143 A144F134-C141 VanDerWaalsContact CE2-O 3.28Å; F134-C141 WeakPolarHBondContact CE2-O 3.26Å; C141-A143 PolarHBondContact O-N 3.09Å; C141-A143 PolarHBondContact SG-N 2.98Å; C141-A144 HydrophobicContact CB-CB 4.15Å; C141-A144 WeakPolarHBondContact O-CB 3.48Å; C141-A144 PolarHBondContact O-N 3.03Å
142K79.8Confident81.5Confident92 Ų9261 Ų6140%0.436%0.36SS..THydrogen-bonded Turntrans-64.1-24.3179.3-70.9-177.1179.2171.90113.8Q20 F129 A144Q20-K142 PolarHBondContact O-NZ 3.19Å; F129-K142 HydrophobicContact CD1-CD 4.1Å; F129-K142 HydrophobicContact CD1-CG 3.69Å; F129-K142 HydrophobicContact CD2-CG 3.86Å; F129-K142 HydrophobicContact CE1-CD 4.07Å; F129-K142 HydrophobicContact CE1-CG 3.54Å; F129-K142 HydrophobicContact CE2-CG 3.73Å; F129-K142 HydrophobicContact CG-CG 3.83Å; F129-K142 HydrophobicContact CZ-CG 3.56Å; K142-A144 VanDerWaalsContact C-N 3.28Å
143A77.9Confident81.3Confident94 Ų9462.5 Ų62.578%0.77736%0.36SS*.THydrogen-bonded Turntrans-86.3-1176.400000112.7C141C141-A143 PolarHBondContact O-N 3.09Å; C141-A143 PolarHBondContact SG-N 2.98Å
144A73.6Confident80.7Confident21 Ų2161.1 Ų61.117%0.17437%0.365CS..SBendtrans-68.8146.2-175.500000111.3H125 Q139 C141 K142H125-A144 PolarHBondContact NE2-O 3.46Å; Q139-A144 HydrophobicContact CB-CB 4.13Å; C141-A144 HydrophobicContact CB-CB 4.15Å; C141-A144 WeakPolarHBondContact O-CB 3.48Å; C141-A144 PolarHBondContact O-N 3.03Å; K142-A144 VanDerWaalsContact C-N 3.28Å
145P77.1Confident80.3Confident94 Ų9466.2 Ų66.261%0.6139%0.392SS*.PPolyproline II helixtrans-59.3141.2-176.1-22.833.6000112.9H125 Q139H125-P145 PolarHBondContact CE1-O 2.58Å; H125-P145 PolarHBondContact NE2-O 2.98Å; Q139-P145 PolarHBondContact NE2-O 3.06Å; Q139-P145 PolarHBondContact OE1-O 3.31Å
146G81.4Confident79.8Confident13 Ų1363 Ų6313%0.13438%0.375CS..PPolyproline II helixtrans-56.9142.3-17900000114.5K123 Y124K123-G146 VanDerWaalsContact CB-O 3.27Å; K123-G146 WeakPolarHBondContact CB-O 3.31Å; K123-G146 WeakPolarHBondContact CD-O 3.44Å; Y124-G146 VanDerWaalsContact C-CA 3.48Å; Y124-G146 CarbonylContact O-C 3.4Å; Y124-G146 WeakPolarHBondContact O-CA 3.38Å
147C81.3Confident79Confident48 Ų4865.9 Ų65.932%0.32438%0.384SS..SBendtrans-85.9-21.7179.765.20000113.9Y124 H125 C136 C137Y124-C147 PolarHBondContact O-N 3Å; H125-C147 PolarHBondContact ND1-N 3.45Å; C136-C147 HydrophobicContact CB-CB 4.41Å; C136-C147 WeakPolarHBondContact CB-SG 3.36Å; C136-C147 WeakPolarHBondContact SG-CB 2.84Å; C136-C147 CovalentContact SG-SG 2.07Å; C136-C147 PolarHBondContact SG-SG 3.36Å; C137-C147 HydrophobicContact CB-CB 3.59Å
148T83.8Confident77.9Confident41 Ų4169.8 Ų69.825%0.25240%0.401SS..EExtended strand (participates in β ladder)trans-118.8135.7-171-55.60000110.6K123 Y124 S126K123-T148 CarbonylContact C-O 3.59Å; K123-T148 WeakPolarHBondContact CA-O 3.35Å; K123-T148 WeakPolarHBondContact CB-O 3.32Å; Y124-T148 HydrophobicContact CD1-CG2 4.49Å; Y124-T148 WeakPolarHBondContact CD1-O 3.09Å; Y124-T148 HydrophobicContact CE1-CG2 3.75Å; Y124-T148 PolarHBondContact N-O 3.22Å; Y124-T148 WeakPolarHBondContact O-CB 3.43Å; Y124-T148 PolarHBondContact O-N 3.35Å; S126-T148 WeakPolarHBondContact CB-OG1 3.45Å; S126-T148 PolarHBondContact OG-OG1 3.4Å
149L78.9Confident75.9Confident74 Ų7467.5 Ų67.539%0.38740%0.4SS..EExtended strand (participates in β ladder)trans-67.7136.6177.2-177.266000110.7I122 E151 Y590I122-L149 HydrophobicContact CG2-CD1 3.92Å; L149-E151 PolarHBondContact O-N 2.8Å; L149-Y590 HydrophobicContact CD1-CE1 3.63Å; L149-Y590 WeakPolarHBondContact CD1-OH 3.18Å
150W87.7Confident74.4Confident3 Ų369.9 Ų69.91%0.01142%0.419CS..  trans-93.296.5173.5-168.629.5000110.4C66 V67 E68 Q111 I114 L120 L121 I122 Y124 A152 Y153 L156C66-W150 HydrophobicContact CB-CE3 4.49Å; C66-W150 HydrophobicContact CB-CZ3 4.36Å; V67-W150 WeakPolarHBondContact O-CZ2 3.31Å; E68-W150 VanDerWaalsContact OE2-CD1 3.29Å; E68-W150 PolarHBondContact OE2-NE1 3.36Å; Q111-W150 HydrophobicContact CG-CZ2 4.11Å; I114-W150 HydrophobicContact CD1-CH2 3.73Å; I114-W150 HydrophobicContact CD1-CZ2 4.39Å; L120-W150 HydrophobicContact CD2-CZ3 4.25Å; L121-W150 VanDerWaalsContact O-CE3 3.28Å; I122-W150 PolarHBondContact O-N 2.86Å; Y124-W150 HydrophobicContact CD1-CB 3.89Å; Y124-W150 HydrophobicContact CD1-CG 4.33Å; Y124-W150 HydrophobicContact CE1-CB 4.36Å; W150-A152 PolarHBondContact O-N 3.4Å; W150-Y153 HydrophobicContact CE3-CD2 4.26Å; W150-Y153 WeakPolarHBondContact O-CB 3.42Å; W150-Y153 PolarHBondContact O-N 3.01Å; W150-L156 HydrophobicContact CH2-CD1 3.3Å; W150-L156 HydrophobicContact CZ2-CD1 3.47Å; W150-L156 VanDerWaalsContact CZ2-CD1 3.47Å; W150-L156 HydrophobicContact CZ3-CD1 3.98Å
151E82.4Confident72.3Confident174 Ų17471.9 Ų71.981%0.81342%0.422SS*.THydrogen-bonded Turntrans-56.9-34.2-176.3-64.8178.3173.900113L149 Y153L149-E151 PolarHBondContact O-N 2.8Å; E151-Y153 PolarHBondContact O-N 3.17Å
152A77.5Confident70.3Confident21 Ų2178 Ų7817%0.17444%0.444CS..THydrogen-bonded Turntrans-69.3-15.4177.900000113.7W150 A154 N155 L156W150-A152 PolarHBondContact O-N 3.4Å; A152-A154 VanDerWaalsContact C-N 3.29Å; A152-A154 PolarHBondContact O-N 3.04Å; A152-N155 PolarHBondContact O-N 2.74Å; A152-N155 VanDerWaalsContact O-N 3.09Å; A152-L156 HydrophobicContact CB-CD1 4.23Å; A152-L156 WeakPolarHBondContact O-CG 3.39Å; A152-L156 PolarHBondContact O-N 3.33Å
153Y78.2Confident68.3Low49 Ų4982.3 Ų82.319%0.19247%0.466CS..Hα-helixtrans-53.3-43.6-176.7175.3-96.4000112.8L120 L121 I122 W150 E151 N155 L156 H157L120-Y153 HydrophobicContact CB-CD2 4.09Å; L120-Y153 HydrophobicContact CB-CE2 3.78Å; L121-Y153 WeakPolarHBondContact O-CD2 3.38Å; I122-Y153 HydrophobicContact CD1-CE1 4.48Å; I122-Y153 HydrophobicContact CG1-CD1 4.19Å; I122-Y153 HydrophobicContact CG1-CD2 4.26Å; I122-Y153 HydrophobicContact CG1-CE1 3.71Å; I122-Y153 HydrophobicContact CG1-CE2 3.78Å; I122-Y153 HydrophobicContact CG1-CG 4.45Å; I122-Y153 VanDerWaalsContact CG1-CZ 3.48Å; W150-Y153 HydrophobicContact CE3-CD2 4.26Å; W150-Y153 WeakPolarHBondContact O-CB 3.42Å; W150-Y153 PolarHBondContact O-N 3.01Å; E151-Y153 PolarHBondContact O-N 3.17Å; Y153-N155 VanDerWaalsContact C-N 3.26Å; Y153-N155 PolarHBondContact O-N 3.49Å; Y153-L156 PolarHBondContact O-N 2.86Å; Y153-H157 HydrophobicContact CE1-CB 4.22Å; Y153-H157 HydrophobicContact CE2-CB 4.5Å; Y153-H157 AromaticContact CZ-CD2 3.74Å; Y153-H157 PolarHBondContact O-N 3.26Å; Y153-H157 PolarHBondContact OH-CD2 2.95Å
154A71.3Confident66.5Low57 Ų5786.6 Ų86.647%0.47147%0.466SS..Hα-helixtrans-57.3-40.1-179.100000112.1A152 L156 I158A152-A154 VanDerWaalsContact C-N 3.29Å; A152-A154 PolarHBondContact O-N 3.04Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 3.26Å; A154-I158 WeakPolarHBondContact O-CD1 3.18Å; A154-I158 VanDerWaalsContact O-CG1 3.27Å; A154-I158 WeakPolarHBondContact O-CG1 3.47Å
155N77.9Confident64.5Low109 Ų10996 Ų9658%0.58350%0.499SS*.Hα-helixtrans-79.8-13-179.6-65-36.4000113.7R115 A152 Y153R115-N155 PolarHBondContact NE-O 3.23Å; R115-N155 VanDerWaalsContact NE-O 3.16Å; R115-N155 PolarHBondContact NH2-O 3.24Å; A152-N155 PolarHBondContact O-N 2.74Å; A152-N155 VanDerWaalsContact O-N 3.09Å; Y153-N155 VanDerWaalsContact C-N 3.26Å; Y153-N155 PolarHBondContact O-N 3.49Å
156L77.9Confident62.4Low7 Ų7103.6 Ų103.64%0.03752%0.516CS..Hα-helixtrans-100.9-24-176.8-65.7177.2000112.6Q111 R115 G116 L120 W150 A152 Y153 A154Q111-L156 HydrophobicContact CB-CD1 4.17Å; Q111-L156 HydrophobicContact CB-CD2 4.2Å; Q111-L156 HydrophobicContact CG-CD1 4.15Å; Q111-L156 WeakPolarHBondContact O-CD2 3.24Å; R115-L156 WeakPolarHBondContact CA-O 3.49Å; R115-L156 HydrophobicContact CB-CD2 4.08Å; R115-L156 WeakPolarHBondContact CG-O 3.43Å; G116-L156 PolarHBondContact N-O 3.34Å; L120-L156 HydrophobicContact CD1-CB 3.93Å; W150-L156 HydrophobicContact CH2-CD1 3.3Å; W150-L156 HydrophobicContact CZ2-CD1 3.47Å; W150-L156 VanDerWaalsContact CZ2-CD1 3.47Å; W150-L156 HydrophobicContact CZ3-CD1 3.98Å; A152-L156 HydrophobicContact CB-CD1 4.23Å; A152-L156 WeakPolarHBondContact O-CG 3.39Å; A152-L156 PolarHBondContact O-N 3.33Å; Y153-L156 PolarHBondContact O-N 2.86Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 3.26Å
157H65.6Low60Low108 Ų108109 Ų10950%0.555%0.546SS..Hα-helixtrans-83-20.6-179-172.7-88.1000114.2Y153 A159Y153-H157 HydrophobicContact CE1-CB 4.22Å; Y153-H157 HydrophobicContact CE2-CB 4.5Å; Y153-H157 AromaticContact CZ-CD2 3.74Å; Y153-H157 PolarHBondContact O-N 3.26Å; Y153-H157 PolarHBondContact OH-CD2 2.95Å; H157-A159 VanDerWaalsContact C-N 3.33Å; H157-A159 PolarHBondContact O-N 3.4Å; H157-A159 VanDerWaalsContact O-N 3.15Å
158I58Low57.6Low126 Ų126111.3 Ų111.365%0.64656%0.56SS**  trans-73.2-5.1-163.7-73.8170.9000116.3A154 V160A154-I158 WeakPolarHBondContact O-CD1 3.18Å; A154-I158 VanDerWaalsContact O-CG1 3.27Å; A154-I158 WeakPolarHBondContact O-CG1 3.47Å; I158-V160 PolarHBondContact O-N 3.07Å; I158-V160 VanDerWaalsContact O-N 3.1Å
159A45.3Very low55.1Low60 Ų60116.2 Ų116.250%0.49659%0.59SS.*  trans-91.465.4-175.100000114.5R115 H157R115-A159 HydrophobicContact CG-CB 4.3Å; H157-A159 VanDerWaalsContact C-N 3.33Å; H157-A159 PolarHBondContact O-N 3.4Å; H157-A159 VanDerWaalsContact O-N 3.15Å
160V42.7Very low52.9Low113 Ų113121.4 Ų121.469%0.68561%0.61SS**SBendtrans-145.1111.7152.9-168.30000108.8I158I158-V160 PolarHBondContact O-N 3.07Å; I158-V160 VanDerWaalsContact O-N 3.1Å
161N40.4Very low50.2Low140 Ų140127 Ų12775%0.74965%0.647SS**  trans102.854.5173.9-60.4-21.3000118.9
162E38.1Very low48Very low195 Ų195126.5 Ų126.591%0.91165%0.65SS**  trans-95.4-5.4156.4-82.5-163.8157.900114.7
163E37.3Very low45.9Very low182 Ų182137.2 Ų137.285%0.8569%0.686SS**SBendtrans-111.692.8174.1-73-170.2166.300111.5
164K39.3Very low44Very low183 Ų183140.4 Ų140.480%0.79671%0.71SS**SBendtrans143.264.2151.2-79.4175.6-178.7179.90112.7
165Y32.5Very low42.2Very low220 Ų220145.6 Ų145.686%0.86373%0.729SS**  trans-14592.6148.2-73.5-73.7000108.8V167Y165-V167 PolarHBondContact O-N 3.44Å
166R32.3Very low40Very low253 Ų253149.6 Ų149.696%0.95574%0.741SS**PPolyproline II helixtrans-66.9118.7160.3-82.9-176.1177.4173.3-0.8107.3
167V31.2Very low38Very low127 Ų127156.9 Ų156.977%0.7778%0.778SS**PPolyproline II helixtrans-68.5135.2172-175.40000108.7Y165 T169Y165-V167 PolarHBondContact O-N 3.44Å; V167-T169 PolarHBondContact O-N 3.18Å
168P31.9Very low36.5Very low96 Ų96157.4 Ų157.462%0.62379%0.791SS**PPolyproline II helixtrans-67.6123.3169.2-11.826.4000109.7F170P168-F170 HydrophobicContact CB-CE2 4.19Å; P168-F170 PolarHBondContact O-N 3.48Å
169T30.3Very low35.4Very low144 Ų144162.9 Ų162.988%0.88380%0.804SS**PPolyproline II helixtrans-67.9117.7169.320.10000109.8V167V167-T169 PolarHBondContact O-N 3.18Å
170F32.7Very low34.8Very low182 Ų182165 Ų16580%0.79882%0.821SS**PPolyproline II helixtrans-101.7139.7163.2-73.9-82.8000109.3P168P168-F170 HydrophobicContact CB-CE2 4.19Å; P168-F170 PolarHBondContact O-N 3.48Å
171P32.3Very low34.4Very low121 Ų121165.7 Ų165.779%0.78683%0.826SS**PPolyproline II helixtrans-72.7141.6-171.728-33.6000112.9R173P171-R173 PolarHBondContact O-N 3.36Å
172D35.4Very low34Very low164 Ų164164.6 Ų164.688%0.87783%0.826SS**PPolyproline II helixtrans-51.8119.2178.1-75.1-49.9000112.9
173R33.8Very low33.8Very low246 Ų246162 Ų16293%0.92882%0.823SS**  trans-126.4103.7152-93.5-171175-174-0.3110.7P171 L175P171-R173 PolarHBondContact O-N 3.36Å; R173-L175 PolarHBondContact O-N 3.26Å
174V37.3Very low33.4Very low116 Ų116161.2 Ų161.270%0.70382%0.824SS**  trans-28.9115.9166.1-177.10000114.1K176V174-K176 HydrophobicContact CG1-CG 4.03Å
175L33.8Very low32.9Very low166 Ų166161.9 Ų161.987%0.86983%0.827SS**  trans-123.4112.5145.6-75.7173.8000107.7R173 I177R173-L175 PolarHBondContact O-N 3.26Å; L175-I177 PolarHBondContact O-N 2.97Å
176K32.5Very low32.9Very low192 Ų192160.3 Ų160.384%0.83583%0.83SS**PPolyproline II helixtrans-64.4120.4-180-68.6174.5177.7175.90109.5V174V174-K176 HydrophobicContact CG1-CG 4.03Å
177I36Very low32.8Very low160 Ų160155.8 Ų155.882%0.82182%0.824SS**PPolyproline II helixtrans-78.2127.1166.8-57.9169.4000107.7L175L175-I177 PolarHBondContact O-N 2.97Å
178P32.8Very low32.8Very low119 Ų119154.2 Ų154.277%0.77383%0.825SS**PPolyproline II helixtrans-67.8138.7170.7-15.929.8000111.3
179R35.7Very low32.8Very low242 Ų242155.8 Ų155.891%0.91384%0.835SS**PPolyproline II helixtrans-56145.8178.5-81.4176.3169.5166.2-4.3112.7
180A33Very low32.7Very low103 Ų103154.2 Ų154.285%0.85183%0.83SS**PPolyproline II helixtrans-60.5138.7172.800000112.5
181V33.2Very low32.5Very low129 Ų129151 Ų15178%0.78283%0.83SS**PPolyproline II helixtrans-78.9139.3171.1-179.10000109.2
182P33.6Very low32.1Very low117 Ų117149.8 Ų149.876%0.7682%0.824SS**PPolyproline II helixtrans-71.3135.1-179.5-12.127.3000112.4
183V33.5Very low31.6Very low141 Ų141147.8 Ų147.886%0.85582%0.818SS**PPolyproline II helixtrans-76.1122.8170.3176.50000109.3
184L28.4Very low31.1Very low165 Ų165142.1 Ų142.186%0.86481%0.811SS**PPolyproline II helixtrans-75130.8169.6-72.6167.7000109.9
185K29.3Very low30.6Very low197 Ų197144 Ų14486%0.85782%0.816SS**PPolyproline II helixtrans-73.4141.3170.5-71.7179.2175.6179.70109.7
186M32.1Very low30.2Very low187 Ų187141 Ų14192%0.92182%0.816SS**  trans-117.5134.8162-81-178.668.300109.8
187D29.6Very low29.7Very low157 Ų157139.4 Ų139.484%0.8481%0.811SS**  trans-72.9153.7-172.6-65.8-54.2000113.9
188A31.5Very low29.2Very low95 Ų95143.2 Ų143.279%0.78582%0.817SS**  trans-74.6160.3168.900000111.8
189P32.8Very low28.8Very low129 Ų129143.6 Ų143.684%0.83881%0.813SS**  trans-121.5140.3142.515.83.6000113
190S27.7Very low28.4Very low111 Ų111138.7 Ų138.778%0.77680%0.804SS**  trans-80150.2175.249.50000114
191S28Very low28Very low114 Ų114141.2 Ų141.280%0.79780%0.799SS**  trans149.8139139.760.30000107.8
192S24.3Very low27.7Very low95 Ų95139.9 Ų139.966%0.66480%0.795SS**  cis156.4145.2-5.1540000104.3
193T23.9Very low27.3Very low122 Ų122142.6 Ų142.675%0.74880%0.799SS**  trans78.2131.8156.4-17.60000114.5
194T24.9Very low27Very low128 Ų128144.2 Ų144.279%0.78580%0.795SS**  cis-165.4151.727.6-25.10000110.5
195L25.2Very low26.9Very low155 Ų155142.7 Ų142.781%0.81279%0.788SS**  trans-63.6149.9162.6-86.9104.8000112.5
196A25.1Very low26.8Very low104 Ų104144.6 Ų144.686%0.8679%0.791SS**  trans-154.1112142.800000110.7
197Q23.1Very low26.4Very low157 Ų157139.1 Ų139.173%0.73478%0.783SS**  trans-92.4144.3151.4-78.9178.2-68.800107.7
198Y24.7Very low26.1Very low241 Ų241140.8 Ų140.895%0.94578%0.783SS**  trans-160.8141.4139.6-108.2-76000110.6
199D24.6Very low25.9Very low127 Ų127144.2 Ų144.268%0.67978%0.783SS**  trans-89.6167.7-168.1-69.2-49.8000115.9
200N27Very low26.6Very low138 Ų138143 Ų14374%0.73877%0.774SS**  trans72.1144.5142.3-83.7-5.6000119.8
201E25.8Very low26.8Very low157 Ų157142.9 Ų142.973%0.73477%0.771SS**  cis-169152.221.4-126.3176.2-158.900112.5
202S27Very low26.6Very low100 Ų100142.5 Ų142.570%0.69977%0.768SS**  trans59.9123135.4-62.20000126.6
203M24.8Very low26.7Very low174 Ų174143 Ų14386%0.85777%0.772SS**  179.1108118.8-101.7-169136.600110.6
204K26.9Very low26.8Very low175 Ų175142.8 Ų142.876%0.76178%0.776SS**  81.7116.590.3-88.9-172.7180176.10118.3
205N25.9Very low26.8Very low134 Ų134142.2 Ų142.272%0.71777%0.772SS**  trans56.2142.2142.8-64.4-7.2000119.7
206Y27Very low26.8Very low237 Ų237141.5 Ų141.593%0.92978%0.775SS**  cis-150.3167.350-72.2-100.1000109.1
207G24.9Very low26.7Very low72 Ų72142 Ų14274%0.74277%0.766SS**  cis168.71509.400000108.7
208F23.2Very low26.8Very low192 Ų192139.4 Ų139.484%0.84277%0.772SS**  trans-43.1163.2168.9-84.4-119000114.6
209Q26.2Very low26.7Very low167 Ų167134.8 Ų134.878%0.7876%0.759SS**  cis-170.5177.7-1.3-122-166.6-29.100107.3
210P47.9Very low26.6Very low102 Ų102137.4 Ų137.466%0.66276%0.761SS**  trans-97.7-169.9-161.542.4-39.9000114.9
211P31.4Very low26.5Very low110 Ų110137.9 Ų137.971%0.71476%0.763SS**  -141.5140.4115.937.4-22.4000112.6
212S25Very low26.4Very low105 Ų105134.2 Ų134.273%0.73476%0.755SS**  3513585.369.40000113.4
213S26.6Very low26.3Very low106 Ų106136.6 Ų136.674%0.74176%0.76SS**  cis-172.2161.122.348.90000104.7
214S25.3Very low26.4Very low118 Ų118132.6 Ų132.683%0.82575%0.749SS**  175155.589.445.50000111.1
215T24.7Very low26.4Very low115 Ų115133.2 Ų133.271%0.70675%0.752SS**  trans-105.4150.1-164.9-61.10000110.2V217T215-V217 HydrophobicContact CG2-CG2 3.58Å
216T25Very low26.5Very low141 Ų141136.3 Ų136.387%0.86576%0.759SS**  trans-170100.6146.121.70000106.4
217V24.7Very low26.5Very low113 Ų113132.1 Ų132.169%0.68575%0.751SS**  50.1105.970.3-173.40000114.2T215T215-V217 HydrophobicContact CG2-CG2 3.58Å
218A23.9Very low26.4Very low103 Ų103139.6 Ų139.685%0.85176%0.758SS**  trans-149.999.3135.100000109.5
219Q22.6Very low26.5Very low145 Ų145133.4 Ų133.468%0.67875%0.749SS**  trans-60.5167.5145.1-84.7174.1-25.600109.5
220Y22.8Very low26.4Very low182 Ų182131.5 Ų131.571%0.71475%0.754SS**  cis-152.11632.5-109.1-72.1000101.8
221D24Very low25.4Very low147 Ų147135 Ų13579%0.78676%0.761SS**  -177.8172.180-133.9-25.9000112.7
222S25.3Very low25.7Very low80 Ų80135.3 Ų135.356%0.55976%0.763SS**  trans-119.6175.4-147.448.20000113.3
223N24.9Very low25.7Very low151 Ų151136.5 Ų136.581%0.80776%0.761SS**  trans84.5144165.6-68.5-28.1000118
224S25.6Very low25.6Very low90 Ų90140.3 Ų140.363%0.62977%0.765SS**  cis-178.9154.3-10.654.20000110
225K28.1Very low25.6Very low188 Ų188141.8 Ų141.882%0.81776%0.764SS**  trans66.9114.1151.1-71.7172.2178.6176.10119.5
226K27.2Very low25.6Very low198 Ų198143.2 Ų143.286%0.86176%0.764SS**  60125.792.3-75.5-168.9174.4-177.30113.6
227I26.3Very low25.5Very low150 Ų150146 Ų14677%0.76977%0.767SS**  -176.1148.188-86.2174000110.7
228Y24.4Very low25.4Very low228 Ų228149.7 Ų149.789%0.89477%0.77SS**  trans2.8148.6154.2-66.1-100.9000119.7
229G23.8Very low25.6Very low62 Ų62150.9 Ų150.964%0.63976%0.761SS**  cis155.2174.914.900000108.6
230S25.2Very low26Very low128 Ų128149.8 Ų149.890%0.89577%0.766SS**  trans103.4112161.7-350000118.5
231Q26.8Very low26.2Very low175 Ų175150 Ų15082%0.81877%0.771SS**  trans-66.9168.8148.2-89.7-170.1-18.900110.4
232P37.3Very low26.3Very low116 Ų116151.1 Ų151.175%0.75377%0.771SS**  cis-154165.643.540-16.6000120.7
233N25.8Very low26.3Very low130 Ų130154.2 Ų154.270%0.69578%0.782SS**  trans46.9151.2140.9-76.3-6.8000127.4
234F24.6Very low26.5Very low186 Ų186157.5 Ų157.582%0.81678%0.784SS**  trans83.1133.2165.1-68.8-81.5000115.3
235N24.4Very low26.8Very low149 Ų149159.2 Ų159.280%0.79779%0.794SS**  cis-161.1157.342.2-146.15.4000113.1
236M24.8Very low26.6Very low145 Ų145157.8 Ų157.871%0.71480%0.795SS**  trans-88143.3173.5-126.7179.184.700110.5Y238M236-Y238 HydrophobicContact CE-CD2 3.92Å; M236-Y238 HydrophobicContact CE-CE2 3.9Å
237Q22.9Very low26.5Very low199 Ų199157.6 Ų157.693%0.9379%0.789SS**  trans-155.6154.5151.2-119.9172.1700113.5
238Y22.8Very low26.4Very low191 Ų191153 Ų15375%0.74978%0.778SS**  trans-101.6156.5-151.6-125.9-106.8000113.6M236M236-Y238 HydrophobicContact CE-CD2 3.92Å; M236-Y238 HydrophobicContact CE-CE2 3.9Å
239I28.6Very low26.4Very low128 Ų128149.9 Ų149.966%0.65677%0.772SS**  trans-31.8158.3166.5-22.8175.1000117.8
240P30.8Very low26.4Very low122 Ų122154.7 Ų154.779%0.79278%0.778SS**  -139.8147.877.424.9-1.9000113.6
241K26.7Very low26.4Very low188 Ų188158.5 Ų158.582%0.81777%0.773SS**  66.8138.565.8-108-164.8-177.1-171.50117.5
242E25.9Very low26.3Very low169 Ų169158.3 Ų158.379%0.7977%0.769SS**  trans91.3134.9171.2-67.6173.7-168.800115.3
243D26.6Very low25.6Very low145 Ų145159.3 Ų159.378%0.77577%0.767SS**  cis-159.1161.823.1-95.6-36000113.5
244Y28.6Very low25.5Very low220 Ų220161.9 Ų161.986%0.86377%0.772SS**  trans-71.9162.7164.8-94.5-95.8000112.2
245P30.4Very low25.4Very low127 Ų127157.7 Ų157.783%0.82577%0.766SS**  -140.7152.8115.830.1-12.8000115.6
246D25Very low25.3Very low158 Ų158155.3 Ų155.385%0.84576%0.761SS**  trans-98.1162.3170.1-17623.5000110.5
247W25.4Very low25.3Very low193 Ų193153.5 Ų153.573%0.73176%0.762SS**  trans129.5119159.9165-94000113.8Q249W247-Q249 HydrophobicContact CH2-CG 4.02Å; W247-Q249 VanDerWaalsContact CH2-NE2 3.26Å; W247-Q249 HydrophobicContact CZ2-CB 4.38Å; W247-Q249 HydrophobicContact CZ2-CG 3.68Å; W247-Q249 VanDerWaalsContact CZ2-NE2 3.28Å
248G23.7Very low25.3Very low53 Ų53148.5 Ų148.555%0.54675%0.75SS.*  trans-94.2174.917400000114.6
249Q25Very low25.4Very low164 Ų164144.4 Ų144.477%0.76675%0.749SS**  trans-169.8146.3146-112.9-179.16.100112.1W247W247-Q249 HydrophobicContact CH2-CG 4.02Å; W247-Q249 VanDerWaalsContact CH2-NE2 3.26Å; W247-Q249 HydrophobicContact CZ2-CB 4.38Å; W247-Q249 HydrophobicContact CZ2-CG 3.68Å; W247-Q249 VanDerWaalsContact CZ2-NE2 3.28Å
250E24.2Very low25.3Very low163 Ų163147 Ų14776%0.76276%0.758SS**  trans-61.2149.7174.7-58170.4132.100114.1
251R24.4Very low25Very low208 Ų208148.5 Ų148.579%0.78576%0.76SS**  160.9133.8110.2-88.8179.7-155.7178.69.5114.3
252K24.6Very low24.9Very low171 Ų171145.9 Ų145.974%0.74376%0.759SS**  trans65.3112.1133.5-69.5-174.7175.3-178.50121.8
253L22.7Very low24.8Very low137 Ų137142.2 Ų142.272%0.71776%0.758SS**  54.2129.7113.3-86145.5000121.6
254K24.1Very low24.8Very low184 Ų184139.9 Ų139.980%0.875%0.753SS**  trans72.3145.4149.3-71.3177.8178.6-175.80115.3
255S22.4Very low24.6Very low98 Ų98134 Ų13469%0.68574%0.744SS**  cis-175.4169.9-1.343.90000106.9
256S22.8Very low24.5Very low98 Ų98134.2 Ų134.269%0.68574%0.738SS**  trans78121.614663.80000120.7
257S23.7Very low24.6Very low107 Ų107133.3 Ų133.375%0.74873%0.729SS**  trans60.4142.3132.361.30000117.7
258S23.7Very low24.6Very low94 Ų94131.5 Ų131.566%0.65773%0.726SS**  cis-175.2134.926.519.50000104.7
259S24.5Very low24.7Very low105 Ų105136.8 Ų136.873%0.73474%0.736SS**  74.4118.5105.3-420000114.8
260E25.7Very low24.7Very low183 Ų183139.9 Ų139.986%0.85574%0.741SS**  159.8103126.6-86.6179.8-172.600106.7
261D24.1Very low24.7Very low153 Ų153138.9 Ų138.982%0.81874%0.741SS**  78.9150.267.8-81.6-34.1000115.3
262V26.4Very low24.7Very low133 Ų133134.2 Ų134.281%0.80674%0.736SS**  trans9488.7170.4-163.30000113.9
263A23.9Very low24.7Very low92 Ų92134 Ų13476%0.7674%0.742SS**  71.7140.773.700000112.1
264S25Very low24.8Very low97 Ų97135.1 Ų135.168%0.67874%0.743SS**  cis-169.615332.369.70000111.4
265S25.6Very low24.7Very low96 Ų96133.4 Ų133.467%0.67175%0.749SS**  trans76143130.881.20000118.9
266N26.8Very low24.7Very low131 Ų131134.3 Ų134.370%0.70175%0.75SS**  cis-169.9151.611.5-125.6-14.9000111.6
267Q28Very low24.8Very low139 Ų139135.7 Ų135.765%0.6576%0.755SS**  trans73.1139.5147.4-65.6-1749.900120.1
268K25.4Very low24.8Very low155 Ų155139.7 Ų139.767%0.67476%0.759SS**  cis-164.2130.18.5-126.8166.7-177.31630112.2
269E25.5Very low24.8Very low164 Ų164142.7 Ų142.777%0.76677%0.766SS**  trans28.2134.4136.2-61.6174.4153.900123.4
270R24.6Very low24.7Very low230 Ų230142.7 Ų142.787%0.86877%0.766SS**  -170.5129.998.5-100.9174.8-179.2172.60.6115.9
271N24.5Very low24.8Very low141 Ų141145.7 Ų145.775%0.75477%0.77SS**  trans52.4110.8149.6-65.50.9000120.6
272V25.2Very low24.8Very low111 Ų111141.4 Ų141.467%0.67376%0.762SS**  74.7112.758.3-176.70000114.1
273N24.9Very low24.8Very low166 Ų166144.8 Ų144.889%0.88877%0.766SS**  -151.4111124.2-94.6-13.9000110
274H23.3Very low25Very low160 Ų160146.5 Ų146.574%0.74177%0.769SS**  trans-81.9141166.4-87.7-74.6000109.8
275T22.6Very low25.1Very low148 Ų148150.9 Ų150.991%0.90878%0.779SS**  trans-150.9112.6134.211.90000111
276T23.2Very low25.3Very low117 Ų117151.5 Ų151.572%0.71878%0.783SS**  trans-61.6137.7170.8-40.80000111.3
277T23.5Very low25.3Very low128 Ų128151 Ų15179%0.78579%0.79SS**  trans-150.5111.4148.6-31.40000113
278K23.8Very low25.3Very low190 Ų190149.2 Ų149.283%0.82679%0.793SS**  trans19.5120.1145.3-70172.6171.2175.80118.6S280K278-S280 PolarHBondContact O-N 3.37Å
279I25.3Very low25.5Very low157 Ų157146.6 Ų146.681%0.80579%0.794SS**  trans-58.8116.6152.6-62.1166.8000108.2
280S21.6Very low26.1Very low106 Ų106147 Ų14774%0.74180%0.796SS**  trans-106.2133.2160.574.60000109.1K278 G282K278-S280 PolarHBondContact O-N 3.37Å; S280-G282 PolarHBondContact O-N 3.29Å
281W28.5Very low26.8Very low246 Ų246144.5 Ų144.593%0.93279%0.794SS**  trans-79.1109.7166.2-70.993.8000107.6
282G23.6Very low27.8Very low63 Ų63147 Ų14765%0.64980%0.801SS**  trans-120.5109.8174.800000110.3S280S280-G282 PolarHBondContact O-N 3.29Å
283F26.3Very low29.3Very low204 Ų204144.5 Ų144.590%0.89579%0.792SS**  trans-66.7133.8156.5-74.9-90.4000108.4
284P27.9Very low31.9Very low128 Ų128140.7 Ų140.783%0.83177%0.772SS**  trans-86.4109.7160.51.717.5000108.4
285E26.5Very low34.6Very low189 Ų189134.2 Ų134.288%0.88374%0.742SS**  trans-67.7150.4156.9-85.9179.9153.500110.3
286S30Very low37.2Very low108 Ų108131.6 Ų131.676%0.75572%0.723SS**  trans-45.1134.8-168.554.70000118.6
287S26.8Very low39.8Very low120 Ų120131.7 Ų131.784%0.83972%0.719SS**  trans-127.693136.566.10000108.4S289S287-S289 PolarHBondContact O-N 2.89Å
288S29.1Very low42.5Very low103 Ų103129.1 Ų129.172%0.7270%0.695SS**  trans-77.199.1-177.951.50000111.3
289S29Very low45.2Very low100 Ų100125.1 Ų125.170%0.69968%0.683SS**  trans-101.2100.9136.150.80000105.4S287 E291S287-S289 PolarHBondContact O-N 2.89Å; S289-E291 VanDerWaalsContact C-N 3.31Å; S289-E291 PolarHBondContact O-N 3.26Å
290E37.2Very low48.3Very low171 Ų171118.4 Ų118.480%0.79965%0.648SS**  trans-64.493.6176.7-68.8-175.3155.400108.4E292E290-E292 PolarHBondContact O-N 3.34Å
291E40Very low51.6Low179 Ų179114 Ų11484%0.83662%0.615SS**  trans-61.1115.8159-71.9-179164.700106.5S289 A293S289-E291 VanDerWaalsContact C-N 3.31Å; S289-E291 PolarHBondContact O-N 3.26Å; E291-A293 PolarHBondContact O-N 3.17Å
292E45.6Very low54.3Low194 Ų194102.7 Ų102.791%0.90757%0.574SS**  trans-57.6105.4173.1-79.6-174.7151.100108.5E290 N294E290-E292 PolarHBondContact O-N 3.34Å; E292-N294 PolarHBondContact O-N 2.85Å
293A56.9Low57.2Low57 Ų57100.3 Ų100.347%0.47155%0.549SS..  trans-57.4122.8179.900000110.2E291 L295 Y298E291-A293 PolarHBondContact O-N 3.17Å; A293-L295 PolarHBondContact O-N 3.14Å; A293-Y298 HydrophobicContact CB-CE2 4.32Å
294N78.1Confident60Low86 Ų8697.7 Ų97.746%0.4655%0.545SS..  trans-65.2124179.3-173.2-6.2000109.9E292 D296 D297E292-N294 PolarHBondContact O-N 2.85Å; N294-D296 PolarHBondContact O-N 3.15Å; N294-D296 WeakPolarHBondContact OD1-CB 3.39Å; N294-D296 PolarHBondContact OD1-N 2.72Å; N294-D297 WeakPolarHBondContact O-CB 3.27Å; N294-D297 PolarHBondContact O-N 3Å
295L81.6Confident62.5Low25 Ų2592.5 Ų92.513%0.13151%0.51CS..G310 helixtrans-61.6-27.9179.3-66.2178.5000112.1A293 D297 Y298 W300 F301 Y334 I374 P375A293-L295 PolarHBondContact O-N 3.14Å; L295-D297 PolarHBondContact O-N 2.93Å; L295-D297 VanDerWaalsContact O-N 3.1Å; L295-Y298 PolarHBondContact O-N 3.15Å; L295-Y298 VanDerWaalsContact O-N 3.1Å; L295-W300 HydrophobicContact CD2-CH2 4.02Å; L295-F301 HydrophobicContact CB-CD1 3.84Å; L295-F301 HydrophobicContact CB-CD2 4.11Å; L295-F301 HydrophobicContact CB-CE1 3.93Å; L295-F301 HydrophobicContact CB-CE2 4.2Å; L295-F301 HydrophobicContact CB-CG 3.93Å; L295-F301 HydrophobicContact CB-CZ 4.11Å; L295-F301 HydrophobicContact CD1-CE2 4.1Å; L295-F301 HydrophobicContact CD1-CZ 4.32Å; L295-F301 WeakPolarHBondContact O-CB 3.42Å; L295-F301 WeakPolarHBondContact O-CD1 3.44Å; L295-F301 WeakPolarHBondContact O-CG 3.37Å; L295-Y334 HydrophobicContact CD1-CE1 3.67Å; L295-Y334 HydrophobicContact CD1-CE2 4.5Å; L295-I374 HydrophobicContact CD1-CD1 4.24Å; L295-I374 HydrophobicContact CD2-CB 4.07Å; L295-I374 HydrophobicContact CD2-CG2 4.34Å; L295-P375 HydrophobicContact CD2-CG 4.06Å
296D76.6Confident65.2Low92 Ų9285.8 Ų85.849%0.49248%0.484SS..G310 helixtrans-66.6-3.9175.7-71.3-40.4000113.9N294 F301 K399N294-D296 PolarHBondContact O-N 3.15Å; N294-D296 WeakPolarHBondContact OD1-CB 3.39Å; N294-D296 PolarHBondContact OD1-N 2.72Å; D296-F301 WeakPolarHBondContact OD1-CD1 3.45Å; D296-F301 VanDerWaalsContact OD1-CE1 3.27Å; D296-F301 WeakPolarHBondContact OD1-CE1 3.42Å; D296-K399 VanDerWaalsContact O-CE 3.25Å; D296-K399 WeakPolarHBondContact O-CE 3.34Å; D296-K399 PolarHBondContact O-NZ 2.98Å
297D77.2Confident67.8Low120 Ų12087.7 Ų87.764%0.64247%0.474SS*.G310 helixtrans-87.8-16.5172.6-65.4-27.6000112.5N294 L295N294-D297 WeakPolarHBondContact O-CB 3.27Å; N294-D297 PolarHBondContact O-N 3Å; L295-D297 PolarHBondContact O-N 2.93Å; L295-D297 VanDerWaalsContact O-N 3.1Å
298Y81Confident70.2Confident74 Ų7485.9 Ų85.929%0.2946%0.462SS..SBendtrans-90133.5-175.7-65.3-88.2000112.7A293 L295 W300 F301 P375 K399A293-Y298 HydrophobicContact CB-CE2 4.32Å; L295-Y298 PolarHBondContact O-N 3.15Å; L295-Y298 VanDerWaalsContact O-N 3.1Å; Y298-W300 VanDerWaalsContact CB-CE2 3.44Å; Y298-W300 AromaticContact CD1-CE2 3.72Å; Y298-W300 AromaticContact CD1-CZ2 3.59Å; Y298-W300 HydrophobicContact CD1-CZ2 3.59Å; Y298-W300 AromaticContact CD1-NE1 3.51Å; Y298-W300 HydrophobicContact CD2-CH2 4.28Å; Y298-W300 AromaticContact CD2-CZ2 3.94Å; Y298-W300 HydrophobicContact CD2-CZ2 3.94Å; Y298-W300 HydrophobicContact CE1-CZ2 4.22Å; Y298-W300 AromaticContact CG-CE2 3.67Å; Y298-W300 HydrophobicContact CG-CH2 4.12Å; Y298-W300 AromaticContact CG-CZ2 3.42Å; Y298-W300 HydrophobicContact CG-CZ2 3.42Å; Y298-W300 VanDerWaalsContact CG-CZ2 3.42Å; Y298-W300 AromaticContact CG-NE1 3.86Å; Y298-W300 PolarHBondContact O-N 3.5Å; Y298-F301 PolarHBondContact O-N 3.27Å; Y298-F301 VanDerWaalsContact O-N 3.08Å; Y298-P375 HydrophobicContact CD2-CG 4.45Å; Y298-P375 HydrophobicContact CE1-CB 4.19Å; Y298-P375 HydrophobicContact CE1-CG 4.41Å; Y298-P375 HydrophobicContact CE2-CB 4.31Å; Y298-P375 HydrophobicContact CE2-CG 3.66Å; Y298-K399 PolarHBondContact O-NZ 3.13Å
299D79.8Confident72.4Confident105 Ų10585.9 Ų85.956%0.56145%0.45SS*.THydrogen-bonded Turntrans-65.7-17.6179.9-68-21000114.3S397D299-S397 WeakPolarHBondContact O-CA 3.47Å; D299-S397 WeakPolarHBondContact O-CB 3.47Å; D299-S397 PolarHBondContact O-N 3.13Å; D299-S397 PolarHBondContact O-OG 3.13Å
300W90.4Very high75Confident17 Ų1781.1 Ų81.16%0.06442%0.417CS..THydrogen-bonded Turntrans-89.9-11.117647.8-101.3000113L295 Y298 F323 M324 V325 I374 P375 I378 P395L295-W300 HydrophobicContact CD2-CH2 4.02Å; Y298-W300 VanDerWaalsContact CB-CE2 3.44Å; Y298-W300 AromaticContact CD1-CE2 3.72Å; Y298-W300 AromaticContact CD1-CZ2 3.59Å; Y298-W300 HydrophobicContact CD1-CZ2 3.59Å; Y298-W300 AromaticContact CD1-NE1 3.51Å; Y298-W300 HydrophobicContact CD2-CH2 4.28Å; Y298-W300 AromaticContact CD2-CZ2 3.94Å; Y298-W300 HydrophobicContact CD2-CZ2 3.94Å; Y298-W300 HydrophobicContact CE1-CZ2 4.22Å; Y298-W300 AromaticContact CG-CE2 3.67Å; Y298-W300 HydrophobicContact CG-CH2 4.12Å; Y298-W300 AromaticContact CG-CZ2 3.42Å; Y298-W300 HydrophobicContact CG-CZ2 3.42Å; Y298-W300 VanDerWaalsContact CG-CZ2 3.42Å; Y298-W300 AromaticContact CG-NE1 3.86Å; Y298-W300 PolarHBondContact O-N 3.5Å; W300-F323 HydrophobicContact CB-CD2 4.4Å; W300-F323 HydrophobicContact CB-CE2 3.59Å; W300-F323 HydrophobicContact CB-CZ 3.88Å; W300-F323 AromaticContact CG-CE2 3.97Å; W300-F323 HydrophobicContact CG-CE2 3.97Å; W300-F323 HydrophobicContact CG-CZ 4.21Å; W300-M324 CarbonylContact O-C 3.59Å; W300-M324 WeakPolarHBondContact O-CA 3.43Å; W300-V325 HydrophobicContact CD2-CG2 4.23Å; W300-V325 HydrophobicContact CE3-CB 3.59Å; W300-V325 HydrophobicContact CE3-CG2 3.24Å; W300-V325 HydrophobicContact CZ3-CB 3.72Å; W300-V325 HydrophobicContact CZ3-CG1 4.17Å; W300-V325 HydrophobicContact CZ3-CG2 3.53Å; W300-V325 PolarHBondContact O-N 3.27Å; W300-I374 HydrophobicContact CH2-CG2 3.58Å; W300-I374 HydrophobicContact CZ3-CG2 3.73Å; W300-P375 HydrophobicContact CH2-CG 4.41Å; W300-P375 HydrophobicContact CZ2-CB 4.45Å; W300-P375 HydrophobicContact CZ2-CG 4.37Å; W300-I378 HydrophobicContact CD2-CG1 4.43Å; W300-I378 HydrophobicContact CD2-CG2 4.14Å; W300-I378 HydrophobicContact CE3-CG1 4.3Å; W300-I378 HydrophobicContact CG-CG2 4.32Å; W300-I378 HydrophobicContact CH2-CG1 4.09Å; W300-I378 HydrophobicContact CZ2-CB 4.26Å; W300-I378 HydrophobicContact CZ2-CG1 4.2Å; W300-I378 HydrophobicContact CZ2-CG2 4.38Å; W300-I378 HydrophobicContact CZ3-CG1 4.13Å; W300-P395 HydrophobicContact CB-CB 3.83Å
301F92Very high77.4Confident12 Ų1275.2 Ų75.25%0.05339%0.389CS..BIsolated β-bridgetrans-86.8121.1179.3-171.3-113000110L295 D296 Y298 V325 Y334L295-F301 HydrophobicContact CB-CD1 3.84Å; L295-F301 HydrophobicContact CB-CD2 4.11Å; L295-F301 HydrophobicContact CB-CE1 3.93Å; L295-F301 HydrophobicContact CB-CE2 4.2Å; L295-F301 HydrophobicContact CB-CG 3.93Å; L295-F301 HydrophobicContact CB-CZ 4.11Å; L295-F301 HydrophobicContact CD1-CE2 4.1Å; L295-F301 HydrophobicContact CD1-CZ 4.32Å; L295-F301 WeakPolarHBondContact O-CB 3.42Å; L295-F301 WeakPolarHBondContact O-CD1 3.44Å; L295-F301 WeakPolarHBondContact O-CG 3.37Å; D296-F301 WeakPolarHBondContact OD1-CD1 3.45Å; D296-F301 VanDerWaalsContact OD1-CE1 3.27Å; D296-F301 WeakPolarHBondContact OD1-CE1 3.42Å; Y298-F301 PolarHBondContact O-N 3.27Å; Y298-F301 VanDerWaalsContact O-N 3.08Å; F301-V325 HydrophobicContact CD2-CB 4.17Å; F301-V325 HydrophobicContact CD2-CG1 4.11Å; F301-V325 HydrophobicContact CE2-CG1 4.42Å; F301-Y334 AromaticContact CE2-CD1 3.89Å; F301-Y334 HydrophobicContact CE2-CD1 3.89Å; F301-Y334 AromaticContact CE2-CE1 3.73Å; F301-Y334 HydrophobicContact CE2-CE1 3.73Å; F301-Y334 AromaticContact CZ-CE1 3.99Å; F301-Y334 HydrophobicContact CZ-CE1 3.99Å
302A83.7Confident79.2Confident10 Ų1073.2 Ų73.28%0.08338%0.38CS..  trans-106.7-0.3-171.700000113.5I305 M324 V325 T398A302-I305 HydrophobicContact CB-CG2 3.83Å; A302-M324 HydrophobicContact CB-CB 4.37Å; A302-M324 HydrophobicContact CB-SD 4.19Å; A302-V325 WeakPolarHBondContact CB-O 3.45Å; A302-V325 PolarHBondContact N-O 2.69Å; A302-T398 VanDerWaalsContact CA-OG1 3.29Å; A302-T398 WeakPolarHBondContact CA-OG1 3.35Å; A302-T398 HydrophobicContact CB-CG2 3.59Å; A302-T398 PolarHBondContact O-OG1 2.71Å
303G86Confident80.8Confident12 Ų1266.3 Ų66.312%0.12435%0.349CS..  trans58.7-136.4-179.200000113.7I305 R326 N327G303-I305 PolarHBondContact O-N 3.06Å; G303-I305 VanDerWaalsContact O-N 3.13Å; G303-R326 WeakPolarHBondContact O-CA 3.21Å; G303-N327 PolarHBondContact O-N 3.33Å
304N83.9Confident82.2Confident149 Ų14963.6 Ų63.680%0.79733%0.327SS*.SBendtrans-81.981.4-178.7-71.7-32.6000111.8N327N304-N327 WeakPolarHBondContact OD1-CB 3.02Å; N304-N327 PolarHBondContact OD1-ND2 2.9Å
305I80.3Confident82.4Confident20 Ų2064.5 Ų64.510%0.10332%0.324CS..  trans-119.1140.1173.2-172.9167.3000111A302 G303 Q309 L313 R326 T398A302-I305 HydrophobicContact CB-CG2 3.83Å; G303-I305 PolarHBondContact O-N 3.06Å; G303-I305 VanDerWaalsContact O-N 3.13Å; I305-Q309 HydrophobicContact CD1-CB 3.7Å; I305-Q309 HydrophobicContact CG1-CB 3.44Å; I305-Q309 VanDerWaalsContact CG1-CB 3.44Å; I305-Q309 HydrophobicContact CG1-CG 4.43Å; I305-L313 HydrophobicContact CD1-CD1 3.43Å; I305-L313 VanDerWaalsContact CD1-CD1 3.43Å; I305-R326 HydrophobicContact CG2-CB 3.44Å; I305-R326 VanDerWaalsContact CG2-CB 3.44Å; I305-R326 HydrophobicContact CG2-CG 4.28Å; I305-R326 WeakPolarHBondContact O-CD 3.48Å; I305-T398 HydrophobicContact CD1-CG2 3.72Å
306S84.2Confident82.1Confident47 Ų4770.6 Ų70.633%0.32935%0.352SS..  trans-70.1159.3177.7690000112.1S308 Q309 S310S306-S308 VanDerWaalsContact C-N 3.33Å; S306-S308 PolarHBondContact O-N 2.92Å; S306-S308 PolarHBondContact OG-OG 3.22Å; S306-Q309 PolarHBondContact O-N 3.1Å; S306-Q309 WeakPolarHBondContact OG-CB 3.42Å; S306-Q309 VanDerWaalsContact OG-CD 3.23Å; S306-Q309 WeakPolarHBondContact OG-CG 3.3Å; S306-Q309 PolarHBondContact OG-N 2.79Å; S306-Q309 PolarHBondContact OG-OE1 2.78Å; S306-S310 PolarHBondContact O-N 2.98Å
307R84.2Confident82.4Confident148 Ų14871 Ų7156%0.55835%0.349SS*.Hα-helixtrans-55.5-47.1175-177.4-179.3169.5174.7-1.3111.7S310 E311 H352R307-S310 PolarHBondContact O-N 3.42Å; R307-S310 PolarHBondContact O-OG 3Å; R307-E311 IonicContact CZ-OE1 2.79Å; R307-E311 IonicContact NE-OE1 3.67Å; R307-E311 PolarHBondContact NE-OE1 3.4Å; R307-E311 IonicContact NH2-OE1 3.81Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 3.07Å; R307-H352 PolarHBondContact NE-CD2 3.25Å; R307-H352 PolarHBondContact NE-NE2 3.33Å
308S78.5Confident82.7Confident82 Ų8266.1 Ų66.157%0.57333%0.327SS*.Hα-helixtrans-63-43.6-179.252.80000112.6S306 S310 E311 Q312S306-S308 VanDerWaalsContact C-N 3.33Å; S306-S308 PolarHBondContact O-N 2.92Å; S306-S308 PolarHBondContact OG-OG 3.22Å; S308-S310 PolarHBondContact O-N 3.24Å; S308-E311 PolarHBondContact O-N 2.79Å; S308-Q312 PolarHBondContact O-N 3.45Å
309Q74.8Confident82.9Confident103 Ų10367.8 Ų67.848%0.48134%0.336SS..Hα-helixtrans-63-42175.7-71.3166.2-46.200111.5I305 S306 E311 Q312 L313I305-Q309 HydrophobicContact CD1-CB 3.7Å; I305-Q309 HydrophobicContact CG1-CB 3.44Å; I305-Q309 VanDerWaalsContact CG1-CB 3.44Å; I305-Q309 HydrophobicContact CG1-CG 4.43Å; S306-Q309 PolarHBondContact O-N 3.1Å; S306-Q309 WeakPolarHBondContact OG-CB 3.42Å; S306-Q309 VanDerWaalsContact OG-CD 3.23Å; S306-Q309 WeakPolarHBondContact OG-CG 3.3Å; S306-Q309 PolarHBondContact OG-N 2.79Å; S306-Q309 PolarHBondContact OG-OE1 2.78Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.85Å; Q309-Q312 PolarHBondContact O-N 2.98Å; Q309-L313 WeakPolarHBondContact O-CG 3.33Å; Q309-L313 PolarHBondContact O-N 3.23Å
310S83.6Confident83.4Confident0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-61.9-40.6175.974.10000112.1S306 R307 S308 Q312 L313 L314 H352S306-S310 PolarHBondContact O-N 2.98Å; R307-S310 PolarHBondContact O-N 3.42Å; R307-S310 PolarHBondContact O-OG 3Å; S308-S310 PolarHBondContact O-N 3.24Å; S310-Q312 PolarHBondContact O-N 3Å; S310-L313 PolarHBondContact O-N 2.93Å; S310-L314 WeakPolarHBondContact O-CB 3.48Å; S310-L314 WeakPolarHBondContact O-CD1 3.25Å; S310-L314 WeakPolarHBondContact O-CG 3.36Å; S310-L314 PolarHBondContact O-N 3.45Å; S310-H352 PolarHBondContact OG-CE1 3.36Å
311E87.3Confident83.4Confident48 Ų4864.2 Ų64.222%0.22432%0.317CS..Hα-helixtrans-63.6-42.2176.7-71.1-179.4-168.300111.4R307 S308 Q309 R315 V350 H352R307-E311 IonicContact CZ-OE1 2.79Å; R307-E311 IonicContact NE-OE1 3.67Å; R307-E311 PolarHBondContact NE-OE1 3.4Å; R307-E311 IonicContact NH2-OE1 3.81Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 3.07Å; S308-E311 PolarHBondContact O-N 2.79Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.85Å; E311-R315 VanDerWaalsContact O-CB 3.3Å; E311-R315 WeakPolarHBondContact O-CB 3.1Å; E311-R315 WeakPolarHBondContact O-CD 3.42Å; E311-R315 WeakPolarHBondContact O-CG 3.3Å; E311-R315 PolarHBondContact O-N 3.49Å; E311-V350 HydrophobicContact CB-CG2 4.43Å; E311-V350 HydrophobicContact CG-CB 4.03Å; E311-V350 HydrophobicContact CG-CG1 3.96Å; E311-V350 HydrophobicContact CG-CG2 4.42Å; E311-H352 WeakPolarHBondContact CG-NE2 3.29Å; E311-H352 IonicContact OE1-NE2 3.07Å; E311-H352 PolarHBondContact OE1-NE2 3.15Å; E311-H352 VanDerWaalsContact OE1-NE2 3.14Å
312Q77.6Confident83.4Confident137 Ų13763.6 Ų63.664%0.6431%0.314SS*.Hα-helixtrans-61.8-49.6177.4-179.1178.7-2000112.1S308 Q309 S310 L314 R315 Q316S308-Q312 PolarHBondContact O-N 3.45Å; Q309-Q312 PolarHBondContact O-N 2.98Å; S310-Q312 PolarHBondContact O-N 3Å; Q312-L314 PolarHBondContact O-N 3.21Å; Q312-R315 PolarHBondContact O-N 2.81Å; Q312-Q316 WeakPolarHBondContact O-CB 3.49Å; Q312-Q316 PolarHBondContact O-N 3.25Å
313L79.7Confident84Confident49 Ų4963.1 Ų63.126%0.25731%0.31SS..Hα-helixtrans-62.9-42.7-179.2-69.9174000112.2I305 Q309 S310 Q316 K317 M324 V396 T398I305-L313 HydrophobicContact CD1-CD1 3.43Å; I305-L313 VanDerWaalsContact CD1-CD1 3.43Å; Q309-L313 WeakPolarHBondContact O-CG 3.33Å; Q309-L313 PolarHBondContact O-N 3.23Å; S310-L313 PolarHBondContact O-N 2.93Å; L313-Q316 PolarHBondContact O-N 3.41Å; L313-K317 PolarHBondContact O-N 3.43Å; L313-M324 HydrophobicContact CB-CE 3.87Å; L313-M324 HydrophobicContact CD1-CE 3.99Å; L313-V396 HydrophobicContact CB-CG1 4.3Å; L313-T398 HydrophobicContact CD1-CG2 3.8Å
314L84.9Confident84.4Confident0 Ų062.6 Ų62.60%030%0.304CS..Hα-helixtrans-66.2-40.6178-72.1173.2000111.9S310 Q312 K317 G318 A322 M324 F339 V350 V396S310-L314 WeakPolarHBondContact O-CB 3.48Å; S310-L314 WeakPolarHBondContact O-CD1 3.25Å; S310-L314 WeakPolarHBondContact O-CG 3.36Å; S310-L314 PolarHBondContact O-N 3.45Å; Q312-L314 PolarHBondContact O-N 3.21Å; L314-K317 PolarHBondContact O-N 3.09Å; L314-G318 PolarHBondContact O-N 3.24Å; L314-G318 VanDerWaalsContact O-N 3.08Å; L314-A322 HydrophobicContact CD2-CB 4.3Å; L314-M324 HydrophobicContact CD1-CG 4.33Å; L314-M324 HydrophobicContact CD2-CE 4.23Å; L314-M324 HydrophobicContact CD2-CG 4.36Å; L314-M324 HydrophobicContact CG-CE 4.17Å; L314-M324 HydrophobicContact CG-CG 4.43Å; L314-F339 HydrophobicContact CB-CB 4.13Å; L314-V350 HydrophobicContact CB-CG2 4.13Å; L314-V350 HydrophobicContact CD1-CG1 3.68Å; L314-V396 HydrophobicContact CD2-CB 4.02Å; L314-V396 HydrophobicContact CD2-CG2 3.78Å
315R83.4Confident84.9Confident104 Ų10455.5 Ų55.539%0.39227%0.266SS..Hα-helixtrans-65.3-38.9174-73.9172.9-175.8-70-0.3112.1E311 Q312 K317 G318 F339 K347 G348 V350E311-R315 VanDerWaalsContact O-CB 3.3Å; E311-R315 WeakPolarHBondContact O-CB 3.1Å; E311-R315 WeakPolarHBondContact O-CD 3.42Å; E311-R315 WeakPolarHBondContact O-CG 3.3Å; E311-R315 PolarHBondContact O-N 3.49Å; Q312-R315 PolarHBondContact O-N 2.81Å; R315-K317 VanDerWaalsContact C-N 3.34Å; R315-G318 WeakPolarHBondContact O-CA 3.43Å; R315-G318 PolarHBondContact O-N 3.37Å; R315-F339 HydrophobicContact CG-CD2 4.3Å; R315-F339 HydrophobicContact CG-CE2 4.12Å; R315-K347 PolarHBondContact NH1-O 3.45Å; R315-G348 PolarHBondContact NH1-O 2.89Å; R315-V350 HydrophobicContact CG-CG2 4.13Å
316Q75.5Confident85.4Confident154 Ų15455 Ų5572%0.7226%0.263SS*.Hα-helixtrans-63.2-39.9175.3-172.4-178.414.200111.7Q312 L313 G318Q312-Q316 WeakPolarHBondContact O-CB 3.49Å; Q312-Q316 PolarHBondContact O-N 3.25Å; L313-Q316 PolarHBondContact O-N 3.41Å; Q316-G318 VanDerWaalsContact C-N 3.33Å
317K83Confident85.6Confident99 Ų9955 Ų5543%0.4326%0.259SS..Hα-helixtrans-62.8-41173.4-170.171.3169.2-164.70111.5L313 L314 R315 K319 A322 V396L313-K317 PolarHBondContact O-N 3.43Å; L314-K317 PolarHBondContact O-N 3.09Å; R315-K317 VanDerWaalsContact C-N 3.34Å; K317-K319 PolarHBondContact O-N 3.12Å; K317-K319 VanDerWaalsContact O-N 3.1Å; K317-A322 HydrophobicContact CB-CB 4.26Å; K317-A322 HydrophobicContact CG-CB 3.96Å; K317-V396 HydrophobicContact CB-CG2 3.91Å; K317-V396 HydrophobicContact CD-CG2 4.3Å; K317-V396 HydrophobicContact CG-CG2 3.78Å
318G82.3Confident85.6Confident19 Ų1948.8 Ų48.820%0.19624%0.239CC..  trans60.724.4169.200000115.4L314 R315 Q316 K341L314-G318 PolarHBondContact O-N 3.24Å; L314-G318 VanDerWaalsContact O-N 3.08Å; R315-G318 WeakPolarHBondContact O-CA 3.43Å; R315-G318 PolarHBondContact O-N 3.37Å; Q316-G318 VanDerWaalsContact C-N 3.33Å; G318-K341 WeakPolarHBondContact O-CE 3.27Å; G318-K341 PolarHBondContact O-NZ 2.91Å
319K85.2Confident85.4Confident109 Ų10950.7 Ų50.747%0.47425%0.252SS..  trans-111138.6179.2-66.5-169.4178.1-171.40111.3K317 G321 A322 F339K317-K319 PolarHBondContact O-N 3.12Å; K317-K319 VanDerWaalsContact O-N 3.1Å; K319-G321 PolarHBondContact O-N 2.95Å; K319-A322 WeakPolarHBondContact O-CB 3.46Å; K319-A322 PolarHBondContact O-N 3.17Å; K319-F339 VanDerWaalsContact O-CD1 3.25Å; K319-F339 WeakPolarHBondContact O-CD1 3.38Å
320E91.3Very high85.5Confident46 Ų4651.5 Ų51.522%0.21526%0.256CS..THydrogen-bonded Turntrans-55.6127.9176.6-174.462-153.800111.2A322 S340 K341 T390 H394E320-A322 VanDerWaalsContact C-N 3.29Å; E320-S340 WeakPolarHBondContact OE1-CB 3.37Å; E320-S340 PolarHBondContact OE1-OG 3.39Å; E320-S340 WeakPolarHBondContact OE2-CA 3.49Å; E320-K341 WeakPolarHBondContact OE2-CA 3.29Å; E320-K341 WeakPolarHBondContact OE2-CB 3.33Å; E320-K341 PolarHBondContact OE2-N 3.41Å; E320-T390 WeakPolarHBondContact OE1-CG2 3.39Å; E320-H394 PolarHBondContact O-CD2 3.39Å; E320-H394 VanDerWaalsContact O-CD2 3.27Å
321G89.9Confident85Confident0 Ų058.9 Ų58.90%030%0.3CS..THydrogen-bonded Turntrans73.919.4-177.700000113.9K319 F339 R393 H394K319-G321 PolarHBondContact O-N 2.95Å; G321-F339 PolarHBondContact N-O 3.17Å; G321-R393 PolarHBondContact O-N 3.37Å; G321-H394 PolarHBondContact O-N 2.85Å
322A92.1Very high84.5Confident0 Ų059.9 Ų59.90%032%0.324CS..EExtended strand (participates in β ladder)trans-66.9132.8167.700000110.2L314 K317 K319 E320 F339 H394 V396L314-A322 HydrophobicContact CD2-CB 4.3Å; K317-A322 HydrophobicContact CB-CB 4.26Å; K317-A322 HydrophobicContact CG-CB 3.96Å; K319-A322 WeakPolarHBondContact O-CB 3.46Å; K319-A322 PolarHBondContact O-N 3.17Å; E320-A322 VanDerWaalsContact C-N 3.29Å; A322-F339 HydrophobicContact CB-CB 4.26Å; A322-F339 PolarHBondContact O-N 3.06Å; A322-H394 CarbonylContact C-O 3.57Å; A322-H394 WeakPolarHBondContact CA-O 3.48Å; A322-H394 HydrophobicContact CB-CB 4.33Å; A322-V396 HydrophobicContact CB-CG2 3.94Å
323F96Very high84.9Confident0 Ų055.8 Ų55.80%031%0.305CS..EExtended strand (participates in β ladder)trans-148.8160.2-171.380.6-78.8000113.9W300 S337 L338 I378 Q382 L392 H394 P395 V396W300-F323 HydrophobicContact CB-CD2 4.4Å; W300-F323 HydrophobicContact CB-CE2 3.59Å; W300-F323 HydrophobicContact CB-CZ 3.88Å; W300-F323 AromaticContact CG-CE2 3.97Å; W300-F323 HydrophobicContact CG-CE2 3.97Å; W300-F323 HydrophobicContact CG-CZ 4.21Å; F323-S337 CarbonylContact C-O 3.55Å; F323-S337 WeakPolarHBondContact CA-O 3.37Å; F323-L338 HydrophobicContact CB-CD1 3.91Å; F323-I378 HydrophobicContact CE2-CD1 4.5Å; F323-I378 HydrophobicContact CE2-CG2 3.71Å; F323-I378 HydrophobicContact CZ-CG2 4Å; F323-Q382 HydrophobicContact CE1-CG 4.49Å; F323-Q382 HydrophobicContact CZ-CG 4.23Å; F323-L392 HydrophobicContact CB-CD2 3.73Å; F323-L392 HydrophobicContact CD1-CB 3.62Å; F323-L392 HydrophobicContact CD1-CD2 4.36Å; F323-L392 HydrophobicContact CD1-CG 4.47Å; F323-L392 HydrophobicContact CD2-CB 4.13Å; F323-L392 HydrophobicContact CD2-CD1 3.89Å; F323-L392 HydrophobicContact CD2-CD2 4.02Å; F323-L392 HydrophobicContact CD2-CG 4.23Å; F323-L392 HydrophobicContact CE1-CB 3.7Å; F323-L392 HydrophobicContact CE2-CB 4.21Å; F323-L392 HydrophobicContact CE2-CD1 3.94Å; F323-L392 HydrophobicContact CG-CB 3.85Å; F323-L392 HydrophobicContact CG-CD1 4.37Å; F323-L392 HydrophobicContact CG-CD2 3.78Å; F323-L392 HydrophobicContact CG-CG 4.2Å; F323-L392 HydrophobicContact CZ-CB 4Å; F323-L392 HydrophobicContact CZ-CD1 4.44Å; F323-H394 PolarHBondContact N-O 2.85Å; F323-P395 HydrophobicContact CE1-CB 3.98Å; F323-P395 HydrophobicContact CZ-CB 4.08Å; F323-P395 CarbonylContact O-C 3.43Å; F323-V396 PolarHBondContact O-N 2.92Å
324M94.3Very high85.5Confident0 Ų056.6 Ų56.60%031%0.306CS..EExtended strand (participates in β ladder)trans-151.5158.1170.161.7178.853.100110.9W300 A302 L313 L314 S337 V396W300-M324 CarbonylContact O-C 3.59Å; W300-M324 WeakPolarHBondContact O-CA 3.43Å; A302-M324 HydrophobicContact CB-CB 4.37Å; A302-M324 HydrophobicContact CB-SD 4.19Å; L313-M324 HydrophobicContact CB-CE 3.87Å; L313-M324 HydrophobicContact CD1-CE 3.99Å; L314-M324 HydrophobicContact CD1-CG 4.33Å; L314-M324 HydrophobicContact CD2-CE 4.23Å; L314-M324 HydrophobicContact CD2-CG 4.36Å; L314-M324 HydrophobicContact CG-CE 4.17Å; L314-M324 HydrophobicContact CG-CG 4.43Å; M324-S337 PolarHBondContact N-O 3.02Å; M324-S337 PolarHBondContact O-N 2.81Å; M324-V396 WeakPolarHBondContact CB-O 3.11Å; M324-V396 HydrophobicContact CE-CB 3.74Å; M324-V396 HydrophobicContact CE-CG1 3.45Å; M324-V396 VanDerWaalsContact CE-CG1 3.45Å
325V94.6Very high85.9Confident0 Ų056.6 Ų56.60%031%0.306CS..EExtended strand (participates in β ladder)trans-110.9130.4173.2-174.60000108.5W300 F301 A302 T335 V336 I374 I378W300-V325 HydrophobicContact CD2-CG2 4.23Å; W300-V325 HydrophobicContact CE3-CB 3.59Å; W300-V325 HydrophobicContact CE3-CG2 3.24Å; W300-V325 HydrophobicContact CZ3-CB 3.72Å; W300-V325 HydrophobicContact CZ3-CG1 4.17Å; W300-V325 HydrophobicContact CZ3-CG2 3.53Å; W300-V325 PolarHBondContact O-N 3.27Å; F301-V325 HydrophobicContact CD2-CB 4.17Å; F301-V325 HydrophobicContact CD2-CG1 4.11Å; F301-V325 HydrophobicContact CE2-CG1 4.42Å; A302-V325 WeakPolarHBondContact CB-O 3.45Å; A302-V325 PolarHBondContact N-O 2.69Å; V325-T335 WeakPolarHBondContact CA-O 3.48Å; V325-V336 HydrophobicContact CG2-CG2 4.12Å; V325-I374 HydrophobicContact CG1-CG2 4.34Å; V325-I378 HydrophobicContact CG2-CD1 3.46Å; V325-I378 VanDerWaalsContact CG2-CD1 3.46Å; V325-I378 HydrophobicContact CG2-CG1 3.93Å
326R92.1Very high86.5Confident11 Ų1151.7 Ų51.74%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-130.5160-179.960.7176.7-178.376.31.6110.9G303 I305 Y334 T335 S337G303-R326 WeakPolarHBondContact O-CA 3.21Å; I305-R326 HydrophobicContact CG2-CB 3.44Å; I305-R326 VanDerWaalsContact CG2-CB 3.44Å; I305-R326 HydrophobicContact CG2-CG 4.28Å; I305-R326 WeakPolarHBondContact O-CD 3.48Å; R326-Y334 WeakPolarHBondContact O-CA 3.35Å; R326-T335 PolarHBondContact N-O 3.12Å; R326-T335 PolarHBondContact O-N 2.92Å; R326-S337 PolarHBondContact NE-OG 2.92Å
327N87.4Confident87.4Confident45 Ų4544.3 Ų44.324%0.24125%0.253CS..EExtended strand (participates in β ladder)trans-63.2136.9167.7-66.6-21.9000109.5G303 N304 Y334G303-N327 PolarHBondContact O-N 3.33Å; N304-N327 WeakPolarHBondContact OD1-CB 3.02Å; N304-N327 PolarHBondContact OD1-ND2 2.9Å; N327-Y334 VanDerWaalsContact OD1-CE1 3.23Å; N327-Y334 WeakPolarHBondContact OD1-CE1 3.49Å
328S83.6Confident88Confident18 Ų1839.6 Ų39.613%0.12623%0.232CC..  trans-75.2161.7174.3-171.20000110Q330 M333S328-Q330 PolarHBondContact O-N 3.03Å; S328-Q330 PolarHBondContact OG-N 2.86Å; S328-M333 WeakPolarHBondContact CA-O 3.48Å; S328-M333 VanDerWaalsContact CB-C 3.49Å; S328-M333 WeakPolarHBondContact CB-O 3.36Å; S328-M333 PolarHBondContact N-O 3.44Å
329S75.6Confident88.6Confident122 Ų12239 Ų3985%0.85322%0.224SC*.SBendtrans-66.3-18.1170.3-52.40000112.2
330Q76Confident88.9Confident121 Ų12134.1 Ų34.157%0.56520%0.204SC*.SBendtrans-90126.8170.5-70175.9-27.800109.4S328 G332 M333S328-Q330 PolarHBondContact O-N 3.03Å; S328-Q330 PolarHBondContact OG-N 2.86Å; Q330-G332 PolarHBondContact O-N 2.94Å; Q330-M333 HydrophobicContact CB-CB 4.33Å; Q330-M333 HydrophobicContact CB-CG 4.34Å; Q330-M333 HydrophobicContact CB-SD 4.01Å; Q330-M333 PolarHBondContact O-N 2.84Å; Q330-M333 VanDerWaalsContact O-N 3.16Å; Q330-M333 PolarHBondContact OE1-SD 2.68Å
331V73.8Confident88.5Confident154 Ų15437.5 Ų37.593%0.93322%0.218SC*.THydrogen-bonded Turntrans-56.9130.6-178.9-179.60000109.9M333V331-M333 VanDerWaalsContact C-N 3.31Å; V331-M333 PolarHBondContact O-N 3.29Å
332G75.9Confident87.6Confident70 Ų7039.6 Ų39.672%0.72224%0.235SC*.THydrogen-bonded Turntrans811.9178.500000115.4Q330Q330-G332 PolarHBondContact O-N 2.94Å
333M85.6Confident86.1Confident50 Ų5046.6 Ų46.625%0.24628%0.277CS..  trans-108.4155176.5-66.6-172.674.500112.1S328 Q330 V331 V355S328-M333 WeakPolarHBondContact CA-O 3.48Å; S328-M333 VanDerWaalsContact CB-C 3.49Å; S328-M333 WeakPolarHBondContact CB-O 3.36Å; S328-M333 PolarHBondContact N-O 3.44Å; Q330-M333 HydrophobicContact CB-CB 4.33Å; Q330-M333 HydrophobicContact CB-CG 4.34Å; Q330-M333 HydrophobicContact CB-SD 4.01Å; Q330-M333 PolarHBondContact O-N 2.84Å; Q330-M333 VanDerWaalsContact O-N 3.16Å; Q330-M333 PolarHBondContact OE1-SD 2.68Å; V331-M333 VanDerWaalsContact C-N 3.31Å; V331-M333 PolarHBondContact O-N 3.29Å; M333-V355 WeakPolarHBondContact CE-O 3.21Å
334Y92.7Very high84.2Confident67 Ų6754.2 Ų54.226%0.26332%0.318SS..EExtended strand (participates in β ladder)trans-119.8157.2-179.8-61.2-88.3000111.3L295 F301 R326 N327 V355 I374L295-Y334 HydrophobicContact CD1-CE1 3.67Å; L295-Y334 HydrophobicContact CD1-CE2 4.5Å; F301-Y334 AromaticContact CE2-CD1 3.89Å; F301-Y334 HydrophobicContact CE2-CD1 3.89Å; F301-Y334 AromaticContact CE2-CE1 3.73Å; F301-Y334 HydrophobicContact CE2-CE1 3.73Å; F301-Y334 AromaticContact CZ-CE1 3.99Å; F301-Y334 HydrophobicContact CZ-CE1 3.99Å; R326-Y334 WeakPolarHBondContact O-CA 3.35Å; N327-Y334 VanDerWaalsContact OD1-CE1 3.23Å; N327-Y334 WeakPolarHBondContact OD1-CE1 3.49Å; Y334-V355 PolarHBondContact O-N 2.6Å; Y334-I374 HydrophobicContact CD1-CD1 3.85Å; Y334-I374 HydrophobicContact CD2-CD1 3.19Å; Y334-I374 HydrophobicContact CE1-CD1 4.23Å; Y334-I374 HydrophobicContact CE2-CD1 3.62Å; Y334-I374 HydrophobicContact CG-CD1 3.28Å
335T94.5Very high82.8Confident0 Ų057.6 Ų57.60%034%0.336CS..EExtended strand (participates in β ladder)trans-133.9128177.4-55.70000110.8V325 R326 H352 Y353V325-T335 WeakPolarHBondContact CA-O 3.48Å; R326-T335 PolarHBondContact N-O 3.12Å; R326-T335 PolarHBondContact O-N 2.92Å; T335-H352 HydrophobicContact CG2-CB 3.87Å; T335-Y353 CarbonylContact C-O 3.59Å; T335-Y353 WeakPolarHBondContact CA-O 3.49Å
336V95.1Very high81.2Confident0 Ų068 Ų680%038%0.381CS..EExtended strand (participates in β ladder)trans-92114.9172.3-174.40000108.7V325 H352 Y353 V355 L365 I378 M388 L392V325-V336 HydrophobicContact CG2-CG2 4.12Å; V336-H352 WeakPolarHBondContact O-CA 3.39Å; V336-Y353 PolarHBondContact N-O 3.07Å; V336-Y353 PolarHBondContact O-N 2.78Å; V336-V355 HydrophobicContact CG2-CG2 4.08Å; V336-L365 HydrophobicContact CB-CD1 4.27Å; V336-L365 HydrophobicContact CB-CD2 4.25Å; V336-L365 HydrophobicContact CG2-CD1 3.95Å; V336-L365 HydrophobicContact CG2-CD2 3.72Å; V336-L365 HydrophobicContact CG2-CG 4.45Å; V336-I378 HydrophobicContact CG1-CD1 4.33Å; V336-I378 HydrophobicContact CG2-CD1 3.87Å; V336-M388 HydrophobicContact CG1-CE 4.2Å; V336-L392 HydrophobicContact CG1-CD1 4.43Å; V336-L392 HydrophobicContact CG1-CD2 4.17Å
337S95.4Very high80Confident0 Ų075.8 Ų75.80%042%0.415CS..EExtended strand (participates in β ladder)trans-101.1125.3178.4-540000109F323 M324 R326 K351 H352F323-S337 CarbonylContact C-O 3.55Å; F323-S337 WeakPolarHBondContact CA-O 3.37Å; M324-S337 PolarHBondContact N-O 3.02Å; M324-S337 PolarHBondContact O-N 2.81Å; R326-S337 PolarHBondContact NE-OG 2.92Å; S337-K351 CarbonylContact C-O 3.53Å; S337-K351 WeakPolarHBondContact CA-O 2.99Å; S337-H352 WeakPolarHBondContact CB-ND1 3.27Å; S337-H352 PolarHBondContact OG-ND1 3.08Å
338L95.1Very high79.7Confident0 Ų073.8 Ų73.80%041%0.405CS..EExtended strand (participates in β ladder)trans-132.5128.1-168.2175.961.3000111.2F323 V350 K351 Y353 M388 I389 T390 L392F323-L338 HydrophobicContact CB-CD1 3.91Å; L338-V350 CarbonylContact O-C 3.44Å; L338-V350 WeakPolarHBondContact O-CA 3.43Å; L338-K351 PolarHBondContact N-O 2.85Å; L338-K351 PolarHBondContact O-N 3.45Å; L338-Y353 HydrophobicContact CB-CD2 4.47Å; L338-Y353 HydrophobicContact CB-CE2 4.18Å; L338-Y353 HydrophobicContact CD2-CE2 4.07Å; L338-M388 HydrophobicContact CD2-CB 4.28Å; L338-M388 HydrophobicContact CD2-CE 3.73Å; L338-I389 HydrophobicContact CD2-CG2 3.59Å; L338-I389 HydrophobicContact CG-CG2 4.08Å; L338-T390 HydrophobicContact CD1-CG2 4.04Å; L338-T390 HydrophobicContact CD2-CG2 4.03Å; L338-T390 VanDerWaalsContact CD2-O 3.25Å; L338-T390 WeakPolarHBondContact CD2-O 3.2Å; L338-T390 HydrophobicContact CG-CG2 4.22Å; L338-L392 HydrophobicContact CD1-CD2 3.75Å; L338-L392 HydrophobicContact CD2-CD2 4.13Å; L338-L392 HydrophobicContact CG-CD2 4.39Å
339F94.2Very high80Confident6 Ų674.6 Ų74.63%0.02641%0.41CS..EExtended strand (participates in β ladder)trans-96.2136.6176.2178.2-90000112.4L314 R315 K319 G321 A322 K341 T349 V350L314-F339 HydrophobicContact CB-CB 4.13Å; R315-F339 HydrophobicContact CG-CD2 4.3Å; R315-F339 HydrophobicContact CG-CE2 4.12Å; K319-F339 VanDerWaalsContact O-CD1 3.25Å; K319-F339 WeakPolarHBondContact O-CD1 3.38Å; G321-F339 PolarHBondContact N-O 3.17Å; A322-F339 HydrophobicContact CB-CB 4.26Å; A322-F339 PolarHBondContact O-N 3.06Å; F339-K341 HydrophobicContact CE1-CG 3.7Å; F339-K341 HydrophobicContact CZ-CG 4.07Å; F339-T349 WeakPolarHBondContact CA-O 3.29Å; F339-V350 HydrophobicContact CB-CG2 4.39Å; F339-V350 HydrophobicContact CD2-CG2 3.83Å
340S91.4Very high80.8Confident6 Ų669.6 Ų69.64%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-138.9133.5173.2-178.70000111.4E320 A342 T349E320-S340 WeakPolarHBondContact OE1-CB 3.37Å; E320-S340 PolarHBondContact OE1-OG 3.39Å; E320-S340 WeakPolarHBondContact OE2-CA 3.49Å; S340-A342 VanDerWaalsContact C-N 3.34Å; S340-A342 PolarHBondContact O-N 2.88Å; S340-T349 PolarHBondContact N-O 3.13Å; S340-T349 PolarHBondContact O-N 2.89Å; S340-T349 PolarHBondContact O-OG1 3.41Å
341K83.2Confident81.6Confident118 Ų11869 Ų6951%0.51337%0.369SS..  trans-80.684.1164.2-63.7-174.4-179.5175.80107.5G318 E320 F339 V343G318-K341 WeakPolarHBondContact O-CE 3.27Å; G318-K341 PolarHBondContact O-NZ 2.91Å; E320-K341 WeakPolarHBondContact OE2-CA 3.29Å; E320-K341 WeakPolarHBondContact OE2-CB 3.33Å; E320-K341 PolarHBondContact OE2-N 3.41Å; F339-K341 HydrophobicContact CE1-CG 3.7Å; F339-K341 HydrophobicContact CZ-CG 4.07Å; K341-V343 PolarHBondContact O-N 3.14Å
342A71.7Confident82.5Confident43 Ų4363.2 Ų63.236%0.35533%0.332SS..  trans-54.7140.2166.300000109.1S340 N344 D345S340-A342 VanDerWaalsContact C-N 3.34Å; S340-A342 PolarHBondContact O-N 2.88Å; A342-N344 PolarHBondContact O-N 3.47Å; A342-D345 PolarHBondContact O-N 3.37Å
343V59.4Low83.3Confident147 Ų14762 Ų6289%0.89131%0.306SS*.THydrogen-bonded Turntrans-54.3-19.6-170.8-178.50000113.5K341K341-V343 PolarHBondContact O-N 3.14Å
344N57.6Low83.6Confident161 Ų16163.5 Ų63.586%0.86131%0.312SS*.THydrogen-bonded Turntrans-114.42.5-176.4-67.6-12.5000115.6A342A342-N344 PolarHBondContact O-N 3.47Å
345D63Low83.6Confident70 Ų7060.5 Ų60.537%0.37430%0.301SS..  trans-115.7105.8-178.9-167.3-8.9000111.9A342 K347 G348 T349A342-D345 PolarHBondContact O-N 3.37Å; D345-K347 PolarHBondContact O-N 3.42Å; D345-K347 VanDerWaalsContact O-N 3.07Å; D345-K347 PolarHBondContact OD1-N 3.37Å; D345-G348 PolarHBondContact O-N 3.11Å; D345-G348 VanDerWaalsContact O-N 3.15Å; D345-T349 WeakPolarHBondContact OD2-CG2 3.43Å
346K61.2Low83.4Confident220 Ų22064.2 Ų64.296%0.95732%0.318SS*.THydrogen-bonded Turntrans-59.7-18.5178.2-70.1-173.7179.3-179.20113.1
347K66.9Low83.1Confident174 Ų17467.9 Ų67.976%0.75734%0.34SS*.THydrogen-bonded Turntrans-99.4-8-179.4-71.1-175.5176.4-179.70114.2R315 D345R315-K347 PolarHBondContact NH1-O 3.45Å; D345-K347 PolarHBondContact O-N 3.42Å; D345-K347 VanDerWaalsContact O-N 3.07Å; D345-K347 PolarHBondContact OD1-N 3.37Å
348G81.4Confident82.7Confident2 Ų269.8 Ų69.82%0.02135%0.35CS..  trans64.4162.9-174.100000113.6R315 D345R315-G348 PolarHBondContact NH1-O 2.89Å; D345-G348 PolarHBondContact O-N 3.11Å; D345-G348 VanDerWaalsContact O-N 3.15Å
349T90.3Very high82.3Confident36 Ų3675 Ų7522%0.22139%0.394CS..EExtended strand (participates in β ladder)trans-125.2148.4-177.964.90000111F339 S340 D345F339-T349 WeakPolarHBondContact CA-O 3.29Å; S340-T349 PolarHBondContact N-O 3.13Å; S340-T349 PolarHBondContact O-N 2.89Å; S340-T349 PolarHBondContact O-OG1 3.41Å; D345-T349 WeakPolarHBondContact OD2-CG2 3.43Å
350V91.5Very high82Confident16 Ų1681.1 Ų81.110%0.09742%0.422CS..EExtended strand (participates in β ladder)trans-111.6128.4173.5-179.70000108.3E311 L314 R315 L338 F339E311-V350 HydrophobicContact CB-CG2 4.43Å; E311-V350 HydrophobicContact CG-CB 4.03Å; E311-V350 HydrophobicContact CG-CG1 3.96Å; E311-V350 HydrophobicContact CG-CG2 4.42Å; L314-V350 HydrophobicContact CB-CG2 4.13Å; L314-V350 HydrophobicContact CD1-CG1 3.68Å; R315-V350 HydrophobicContact CG-CG2 4.13Å; L338-V350 CarbonylContact O-C 3.44Å; L338-V350 WeakPolarHBondContact O-CA 3.43Å; F339-V350 HydrophobicContact CB-CG2 4.39Å; F339-V350 HydrophobicContact CD2-CG2 3.83Å
351K93.1Very high81.8Confident108 Ų10887.2 Ų87.247%0.4746%0.455SS..EExtended strand (participates in β ladder)trans-110.2142.4175.2-70.8-69.5-174.2174.80109.5S337 L338 Y353 I389S337-K351 CarbonylContact C-O 3.53Å; S337-K351 WeakPolarHBondContact CA-O 2.99Å; L338-K351 PolarHBondContact N-O 2.85Å; L338-K351 PolarHBondContact O-N 3.45Å; K351-Y353 HydrophobicContact CB-CD2 4.4Å; K351-Y353 HydrophobicContact CB-CE2 3.61Å; K351-I389 HydrophobicContact CB-CG2 4.43Å; K351-I389 HydrophobicContact CG-CD1 4.17Å; K351-I389 HydrophobicContact CG-CG2 4.23Å
352H92.6Very high82.1Confident34 Ų3484.8 Ų84.816%0.15744%0.444CS..EExtended strand (participates in β ladder)trans-117.1123.2178-57.7-80.8000109R307 S310 E311 T335 V336 S337R307-H352 PolarHBondContact NE-CD2 3.25Å; R307-H352 PolarHBondContact NE-NE2 3.33Å; S310-H352 PolarHBondContact OG-CE1 3.36Å; E311-H352 WeakPolarHBondContact CG-NE2 3.29Å; E311-H352 IonicContact OE1-NE2 3.07Å; E311-H352 PolarHBondContact OE1-NE2 3.15Å; E311-H352 VanDerWaalsContact OE1-NE2 3.14Å; T335-H352 HydrophobicContact CG2-CB 3.87Å; V336-H352 WeakPolarHBondContact O-CA 3.39Å; S337-H352 WeakPolarHBondContact CB-ND1 3.27Å; S337-H352 PolarHBondContact OG-ND1 3.08Å
353Y93.1Very high83Confident45 Ų4584.2 Ų84.218%0.17644%0.435CS..EExtended strand (participates in β ladder)trans-111.4118.9179.2-61.2-93.6000108.1T335 V336 L338 K351 M388 I389T335-Y353 CarbonylContact C-O 3.59Å; T335-Y353 WeakPolarHBondContact CA-O 3.49Å; V336-Y353 PolarHBondContact N-O 3.07Å; V336-Y353 PolarHBondContact O-N 2.78Å; L338-Y353 HydrophobicContact CB-CD2 4.47Å; L338-Y353 HydrophobicContact CB-CE2 4.18Å; L338-Y353 HydrophobicContact CD2-CE2 4.07Å; K351-Y353 HydrophobicContact CB-CD2 4.4Å; K351-Y353 HydrophobicContact CB-CE2 3.61Å; Y353-M388 HydrophobicContact CD1-CE 4.34Å; Y353-M388 HydrophobicContact CD1-CG 4.45Å; Y353-M388 HydrophobicContact CD2-CE 3.36Å; Y353-M388 HydrophobicContact CE1-CB 4.37Å; Y353-M388 HydrophobicContact CE1-CG 4.2Å; Y353-M388 HydrophobicContact CE2-CE 3.59Å; Y353-M388 HydrophobicContact CG-CE 3.78Å; Y353-I389 PolarHBondContact OH-N 2.99Å
354H92.4Very high84.5Confident81 Ų8179.2 Ų79.238%0.37540%0.4SS..EExtended strand (participates in β ladder)trans-75.2136.5175.1-63.993.1000108.9H356H354-H356 PolarHBondContact O-CD2 3.12Å; H354-H356 PolarHBondContact O-N 3.08Å
355V92.6Very high86Confident4 Ų472.3 Ų72.32%0.02436%0.363CS..  trans-78.9113.8170.4-1770000106.7M333 Y334 V336 L363 L365 L377M333-V355 WeakPolarHBondContact CE-O 3.21Å; Y334-V355 PolarHBondContact O-N 2.6Å; V336-V355 HydrophobicContact CG2-CG2 4.08Å; V355-L363 HydrophobicContact CG1-CB 3.94Å; V355-L363 HydrophobicContact CG1-CD1 4.48Å; V355-L363 HydrophobicContact CG1-CD2 4.02Å; V355-L363 HydrophobicContact CG1-CG 4.37Å; V355-L365 HydrophobicContact CB-CD2 4.43Å; V355-L365 HydrophobicContact CG2-CD2 3.73Å; V355-L377 HydrophobicContact CG1-CD1 4.05Å
356H90.3Very high86.6Confident78 Ų7870.3 Ų70.336%0.36136%0.356SS..EExtended strand (participates in β ladder)trans-100.6155.4177.7-69.6-70.4000110.6H354 L363 Y364H354-H356 PolarHBondContact O-CD2 3.12Å; H354-H356 PolarHBondContact O-N 3.08Å; H356-L363 CarbonylContact O-C 3.49Å; H356-L363 VanDerWaalsContact O-CA 3.26Å; H356-L363 WeakPolarHBondContact O-CA 3.31Å; H356-Y364 HydrophobicContact CB-CD1 4.1Å; H356-Y364 HydrophobicContact CB-CD2 4.22Å; H356-Y364 HydrophobicContact CB-CE1 3.56Å; H356-Y364 HydrophobicContact CB-CE2 3.7Å; H356-Y364 HydrophobicContact CB-CG 4.4Å; H356-Y364 PolarHBondContact N-O 2.88Å; H356-Y364 WeakPolarHBondContact O-CD1 3.49Å; H356-Y364 PolarHBondContact O-N 2.87Å
357T89Confident86.9Confident76 Ų7667.5 Ų67.547%0.46635%0.347SS..EExtended strand (participates in β ladder)trans-114.2130.7176.3-49.90000108.5N361 K362 L363T357-N361 HydrophobicContact CG2-CB 4.43Å; T357-K362 WeakPolarHBondContact CA-O 3.29Å; T357-L363 HydrophobicContact CG2-CD2 4.47Å; T357-L363 WeakPolarHBondContact OG1-CD2 3.3Å
358N87.4Confident87.4Confident40 Ų4065.7 Ų65.721%0.21435%0.345CS..  trans-85.8180177.474.43.6000111.5E360 N361 K362 Y364 C370N358-E360 PolarHBondContact O-N 3.4Å; N358-E360 VanDerWaalsContact O-N 3.14Å; N358-E360 WeakPolarHBondContact OD1-CA 3.3Å; N358-E360 WeakPolarHBondContact OD1-CB 3.37Å; N358-E360 PolarHBondContact OD1-N 3.47Å; N358-N361 PolarHBondContact O-N 2.79Å; N358-N361 PolarHBondContact OD1-N 3.01Å; N358-K362 PolarHBondContact N-O 3.29Å; N358-K362 PolarHBondContact OD1-N 2.9Å; N358-K362 PolarHBondContact OD1-O 3.31Å; N358-Y364 HydrophobicContact CB-CD1 4.19Å; N358-Y364 HydrophobicContact CB-CE1 3.87Å; N358-C370 PolarHBondContact ND2-SG 3.17Å; N358-C370 VanDerWaalsContact ND2-SG 3.35Å
359A86.8Confident87.6Confident111 Ų11170.1 Ų70.192%0.91736%0.362SS*.THydrogen-bonded Turntrans-62.8-17178.900000114.3
360E87.8Confident87.6Confident133 Ų13371 Ų7162%0.62137%0.369SS*.THydrogen-bonded Turntrans-95.914.1176.4-60.3-179.4-17900112.7N358 K362N358-E360 PolarHBondContact O-N 3.4Å; N358-E360 VanDerWaalsContact O-N 3.14Å; N358-E360 WeakPolarHBondContact OD1-CA 3.3Å; N358-E360 WeakPolarHBondContact OD1-CB 3.37Å; N358-E360 PolarHBondContact OD1-N 3.47Å; E360-K362 HydrophobicContact CB-CG 4.39Å; E360-K362 PolarHBondContact O-N 2.97Å; E360-K362 IonicContact OE2-NZ 3.04Å; E360-K362 PolarHBondContact OE2-NZ 3.27Å
361N86.3Confident87.6Confident135 Ų13571.5 Ų71.572%0.72237%0.37SS*.SBendtrans60.519.1-173.9-74.1-23.2000115.6T357 N358T357-N361 HydrophobicContact CG2-CB 4.43Å; N358-N361 PolarHBondContact O-N 2.79Å; N358-N361 PolarHBondContact OD1-N 3.01Å
362K90.1Very high87.6Confident67 Ų6771.3 Ų71.329%0.29137%0.374SS..  trans-90.5142175.4-61.5179.1179.9147.80111.7T357 N358 E360 C370 F371T357-K362 WeakPolarHBondContact CA-O 3.29Å; N358-K362 PolarHBondContact N-O 3.29Å; N358-K362 PolarHBondContact OD1-N 2.9Å; N358-K362 PolarHBondContact OD1-O 3.31Å; E360-K362 HydrophobicContact CB-CG 4.39Å; E360-K362 PolarHBondContact O-N 2.97Å; E360-K362 IonicContact OE2-NZ 3.04Å; E360-K362 PolarHBondContact OE2-NZ 3.27Å; K362-C370 HydrophobicContact CB-CB 3.72Å; K362-C370 HydrophobicContact CD-CB 3.97Å; K362-F371 CarbonylContact C-O 3.45Å; K362-F371 WeakPolarHBondContact CA-O 3.48Å
363L90.9Very high87.5Confident30 Ų3071.5 Ų71.516%0.15738%0.379CS..EExtended strand (participates in β ladder)trans-87.6139.1-177.2-56.8175.9000111.4V355 H356 T357 C370 F371 I374 L377V355-L363 HydrophobicContact CG1-CB 3.94Å; V355-L363 HydrophobicContact CG1-CD1 4.48Å; V355-L363 HydrophobicContact CG1-CD2 4.02Å; V355-L363 HydrophobicContact CG1-CG 4.37Å; H356-L363 CarbonylContact O-C 3.49Å; H356-L363 VanDerWaalsContact O-CA 3.26Å; H356-L363 WeakPolarHBondContact O-CA 3.31Å; T357-L363 HydrophobicContact CG2-CD2 4.47Å; T357-L363 WeakPolarHBondContact OG1-CD2 3.3Å; L363-C370 CarbonylContact O-C 3.57Å; L363-C370 WeakPolarHBondContact O-CA 3.45Å; L363-F371 PolarHBondContact N-O 3.4Å; L363-F371 WeakPolarHBondContact O-CD2 3.29Å; L363-F371 PolarHBondContact O-N 3.24Å; L363-I374 HydrophobicContact CD1-CG1 3.67Å; L363-L377 HydrophobicContact CB-CD1 3.95Å
364Y90.6Very high87.5Confident43 Ų4369.7 Ų69.717%0.16937%0.372CS..EExtended strand (participates in β ladder)trans-148.415517767-84.6000112.6H356 N358 E367 Y369H356-Y364 HydrophobicContact CB-CD1 4.1Å; H356-Y364 HydrophobicContact CB-CD2 4.22Å; H356-Y364 HydrophobicContact CB-CE1 3.56Å; H356-Y364 HydrophobicContact CB-CE2 3.7Å; H356-Y364 HydrophobicContact CB-CG 4.4Å; H356-Y364 PolarHBondContact N-O 2.88Å; H356-Y364 WeakPolarHBondContact O-CD1 3.49Å; H356-Y364 PolarHBondContact O-N 2.87Å; N358-Y364 HydrophobicContact CB-CD1 4.19Å; N358-Y364 HydrophobicContact CB-CE1 3.87Å; Y364-E367 HydrophobicContact CE2-CG 3.91Å; Y364-Y369 WeakPolarHBondContact CB-O 3.48Å
365L88.1Confident87.5Confident16 Ų1666.9 Ų66.98%0.08436%0.361CS..SBendtrans-105-28.8170.5-64.9178.8000112.8V336 V355 L377 M388V336-L365 HydrophobicContact CB-CD1 4.27Å; V336-L365 HydrophobicContact CB-CD2 4.25Å; V336-L365 HydrophobicContact CG2-CD1 3.95Å; V336-L365 HydrophobicContact CG2-CD2 3.72Å; V336-L365 HydrophobicContact CG2-CG 4.45Å; V355-L365 HydrophobicContact CB-CD2 4.43Å; V355-L365 HydrophobicContact CG2-CD2 3.73Å; L365-L377 HydrophobicContact CD1-CD2 3.68Å; L365-L377 HydrophobicContact CD2-CD2 4.36Å; L365-L377 HydrophobicContact CG-CD1 4.18Å; L365-L377 HydrophobicContact CG-CD2 3.78Å; L365-L377 HydrophobicContact CG-CG 4.3Å; L365-M388 HydrophobicContact CD1-CE 3.84Å; L365-M388 HydrophobicContact CD1-SD 3.67Å
366A77.5Confident87.5Confident27 Ų2771.4 Ų71.422%0.22338%0.381CS..SBendtrans-135.3138.5175.600000107.1N368 Y369A366-N368 PolarHBondContact O-N 3.48Å; A366-Y369 PolarHBondContact O-N 3.19Å
367E67.6Low87.7Confident162 Ų16267.7 Ų67.776%0.75736%0.363SS*.THydrogen-bonded Turntrans-56.4-10.6-164.4-67.4178.9169.300115.6Y364Y364-E367 HydrophobicContact CE2-CG 3.91Å
368N76.4Confident87.9Confident136 Ų13664.1 Ų64.173%0.72734%0.341SS*.THydrogen-bonded Turntrans-95.7-8.1-174.8-62.3-18.7000115.1A366A366-N368 PolarHBondContact O-N 3.48Å
369Y85.4Confident88.1Confident95 Ų9567.7 Ų67.737%0.37336%0.357SS..  trans-138.1111.3-174.5-57-77.3000112.1Y364 A366 F371 Y380 A386Y364-Y369 WeakPolarHBondContact CB-O 3.48Å; A366-Y369 PolarHBondContact O-N 3.19Å; Y369-F371 WeakPolarHBondContact O-CE2 3.38Å; Y369-Y380 HydrophobicContact CD1-CE1 4.1Å; Y369-Y380 AromaticContact CD1-CZ 3.8Å; Y369-Y380 WeakPolarHBondContact CD1-OH 3.4Å; Y369-Y380 HydrophobicContact CD2-CE1 4.42Å; Y369-Y380 WeakPolarHBondContact CE1-OH 3.44Å; Y369-Y380 HydrophobicContact CG-CE1 4.02Å; Y369-A386 HydrophobicContact CD2-CB 3.72Å; Y369-A386 HydrophobicContact CE2-CB 3.58Å
370C89.7Confident88.4Confident53 Ų5365.3 Ų65.336%0.35832%0.324SS..  trans-111.9141.8-174.4-65.10000111.4N358 K362 L363N358-C370 PolarHBondContact ND2-SG 3.17Å; N358-C370 VanDerWaalsContact ND2-SG 3.35Å; K362-C370 HydrophobicContact CB-CB 3.72Å; K362-C370 HydrophobicContact CD-CB 3.97Å; L363-C370 CarbonylContact O-C 3.57Å; L363-C370 WeakPolarHBondContact O-CA 3.45Å
371F92.8Very high88.6Confident27 Ų2759 Ų5912%0.11830%0.295CS..BIsolated β-bridgetrans-138.1153.6-173.9-51.9-81.8000112.1K362 L363 Y369 K376 L377 Y380K362-F371 CarbonylContact C-O 3.45Å; K362-F371 WeakPolarHBondContact CA-O 3.48Å; L363-F371 PolarHBondContact N-O 3.4Å; L363-F371 WeakPolarHBondContact O-CD2 3.29Å; L363-F371 PolarHBondContact O-N 3.24Å; Y369-F371 WeakPolarHBondContact O-CE2 3.38Å; F371-K376 HydrophobicContact CB-CB 4.28Å; F371-L377 HydrophobicContact CB-CB 3.95Å; F371-L377 HydrophobicContact CD2-CB 3.53Å; F371-L377 HydrophobicContact CD2-CD1 4.04Å; F371-L377 HydrophobicContact CD2-CG 3.68Å; F371-L377 HydrophobicContact CE2-CB 4.25Å; F371-L377 HydrophobicContact CE2-CG 4.11Å; F371-L377 HydrophobicContact CG-CB 3.82Å; F371-L377 HydrophobicContact CG-CG 4.47Å; F371-Y380 VanDerWaalsContact CE1-CB 3.43Å; F371-Y380 HydrophobicContact CE1-CD1 4.04Å; F371-Y380 AromaticContact CE1-CD2 3.9Å; F371-Y380 HydrophobicContact CE1-CD2 3.9Å; F371-Y380 AromaticContact CE1-CG 3.52Å; F371-Y380 HydrophobicContact CE1-CG 3.52Å; F371-Y380 HydrophobicContact CE2-CD1 4.3Å; F371-Y380 AromaticContact CZ-CD1 3.37Å; F371-Y380 HydrophobicContact CZ-CD1 3.37Å; F371-Y380 HydrophobicContact CZ-CD2 4.04Å; F371-Y380 HydrophobicContact CZ-CE1 4.03Å; F371-Y380 AromaticContact CZ-CG 3.36Å; F371-Y380 HydrophobicContact CZ-CG 3.36Å
372D91.7Very high88.8Confident104 Ų10455.2 Ų55.256%0.55627%0.273SS*.SBendtrans-80.3-17.6-178.6-40.1-50.4000113.3K376D372-K376 HydrophobicContact CB-CD 4.41Å; D372-K376 IonicContact OD2-NZ 3.74Å; D372-K376 PolarHBondContact OD2-NZ 3.37Å
373S91.7Very high88.8Confident38 Ų3857.4 Ų57.427%0.26628%0.284SS..SBendtrans-152.6157.7-177.974.50000112.7K376 L377S373-K376 PolarHBondContact O-N 3.44Å; S373-K376 WeakPolarHBondContact OG-CG 3.09Å; S373-K376 PolarHBondContact OG-N 3.15Å; S373-L377 PolarHBondContact O-N 2.85Å
374I91.9Very high88.6Confident7 Ų759.4 Ų59.44%0.03630%0.295CS..Hα-helixtrans-59.5-43.9176.7-64.1-168.1000111.9L295 W300 V325 Y334 L363 K376 L377 I378L295-I374 HydrophobicContact CD1-CD1 4.24Å; L295-I374 HydrophobicContact CD2-CB 4.07Å; L295-I374 HydrophobicContact CD2-CG2 4.34Å; W300-I374 HydrophobicContact CH2-CG2 3.58Å; W300-I374 HydrophobicContact CZ3-CG2 3.73Å; V325-I374 HydrophobicContact CG1-CG2 4.34Å; Y334-I374 HydrophobicContact CD1-CD1 3.85Å; Y334-I374 HydrophobicContact CD2-CD1 3.19Å; Y334-I374 HydrophobicContact CE1-CD1 4.23Å; Y334-I374 HydrophobicContact CE2-CD1 3.62Å; Y334-I374 HydrophobicContact CG-CD1 3.28Å; L363-I374 HydrophobicContact CD1-CG1 3.67Å; I374-K376 VanDerWaalsContact C-N 3.33Å; I374-K376 PolarHBondContact O-N 3.05Å; I374-L377 WeakPolarHBondContact O-CB 3.31Å; I374-L377 PolarHBondContact O-N 2.84Å; I374-I378 HydrophobicContact CG2-CG1 3.93Å; I374-I378 WeakPolarHBondContact O-CG1 3.31Å; I374-I378 PolarHBondContact O-N 2.8Å
375P93.9Very high88.3Confident23 Ų2360 Ų6015%0.14931%0.306CS..Hα-helixtrans-57.1-42.4175.6-28.537.1000113.5L295 Y298 W300 I378 H379L295-P375 HydrophobicContact CD2-CG 4.06Å; Y298-P375 HydrophobicContact CD2-CG 4.45Å; Y298-P375 HydrophobicContact CE1-CB 4.19Å; Y298-P375 HydrophobicContact CE1-CG 4.41Å; Y298-P375 HydrophobicContact CE2-CB 4.31Å; Y298-P375 HydrophobicContact CE2-CG 3.66Å; W300-P375 HydrophobicContact CH2-CG 4.41Å; W300-P375 HydrophobicContact CZ2-CB 4.45Å; W300-P375 HydrophobicContact CZ2-CG 4.37Å; P375-I378 PolarHBondContact O-N 3.16Å; P375-H379 VanDerWaalsContact O-CB 3.25Å; P375-H379 WeakPolarHBondContact O-CB 3.41Å; P375-H379 PolarHBondContact O-N 3.44Å
376K92.4Very high88.1Confident98 Ų9860.1 Ų60.143%0.42631%0.309SS..Hα-helixtrans-63.7-43.4176.2-71.2-177.4-170.6-179.60111.5F371 D372 S373 I374 H379 Y380F371-K376 HydrophobicContact CB-CB 4.28Å; D372-K376 HydrophobicContact CB-CD 4.41Å; D372-K376 IonicContact OD2-NZ 3.74Å; D372-K376 PolarHBondContact OD2-NZ 3.37Å; S373-K376 PolarHBondContact O-N 3.44Å; S373-K376 WeakPolarHBondContact OG-CG 3.09Å; S373-K376 PolarHBondContact OG-N 3.15Å; I374-K376 VanDerWaalsContact C-N 3.33Å; I374-K376 PolarHBondContact O-N 3.05Å; K376-H379 PolarHBondContact O-N 2.96Å; K376-Y380 PolarHBondContact O-N 3.11Å
377L94Very high88.3Confident0 Ų062.2 Ų62.20%033%0.332CS..Hα-helixtrans-60.6-48.5176.5177.2160.5000111.8V355 L363 L365 F371 S373 I374 Y380 H381V355-L377 HydrophobicContact CG1-CD1 4.05Å; L363-L377 HydrophobicContact CB-CD1 3.95Å; L365-L377 HydrophobicContact CD1-CD2 3.68Å; L365-L377 HydrophobicContact CD2-CD2 4.36Å; L365-L377 HydrophobicContact CG-CD1 4.18Å; L365-L377 HydrophobicContact CG-CD2 3.78Å; L365-L377 HydrophobicContact CG-CG 4.3Å; F371-L377 HydrophobicContact CB-CB 3.95Å; F371-L377 HydrophobicContact CD2-CB 3.53Å; F371-L377 HydrophobicContact CD2-CD1 4.04Å; F371-L377 HydrophobicContact CD2-CG 3.68Å; F371-L377 HydrophobicContact CE2-CB 4.25Å; F371-L377 HydrophobicContact CE2-CG 4.11Å; F371-L377 HydrophobicContact CG-CB 3.82Å; F371-L377 HydrophobicContact CG-CG 4.47Å; S373-L377 PolarHBondContact O-N 2.85Å; I374-L377 WeakPolarHBondContact O-CB 3.31Å; I374-L377 PolarHBondContact O-N 2.84Å; L377-Y380 PolarHBondContact O-N 3.05Å; L377-H381 PolarHBondContact O-CD2 2.94Å; L377-H381 VanDerWaalsContact O-CD2 3.28Å; L377-H381 PolarHBondContact O-N 3.07Å
378I94.1Very high89.3Confident1 Ų155 Ų551%0.00530%0.299CS..Hα-helixtrans-64.8-45.4178.8-65.3-60.5000110.7W300 F323 V325 V336 I374 P375 Y380 H381 Q382 L392W300-I378 HydrophobicContact CD2-CG1 4.43Å; W300-I378 HydrophobicContact CD2-CG2 4.14Å; W300-I378 HydrophobicContact CE3-CG1 4.3Å; W300-I378 HydrophobicContact CG-CG2 4.32Å; W300-I378 HydrophobicContact CH2-CG1 4.09Å; W300-I378 HydrophobicContact CZ2-CB 4.26Å; W300-I378 HydrophobicContact CZ2-CG1 4.2Å; W300-I378 HydrophobicContact CZ2-CG2 4.38Å; W300-I378 HydrophobicContact CZ3-CG1 4.13Å; F323-I378 HydrophobicContact CE2-CD1 4.5Å; F323-I378 HydrophobicContact CE2-CG2 3.71Å; F323-I378 HydrophobicContact CZ-CG2 4Å; V325-I378 HydrophobicContact CG2-CD1 3.46Å; V325-I378 VanDerWaalsContact CG2-CD1 3.46Å; V325-I378 HydrophobicContact CG2-CG1 3.93Å; V336-I378 HydrophobicContact CG1-CD1 4.33Å; V336-I378 HydrophobicContact CG2-CD1 3.87Å; I374-I378 HydrophobicContact CG2-CG1 3.93Å; I374-I378 WeakPolarHBondContact O-CG1 3.31Å; I374-I378 PolarHBondContact O-N 2.8Å; P375-I378 PolarHBondContact O-N 3.16Å; I378-Y380 VanDerWaalsContact C-N 3.3Å; I378-Y380 PolarHBondContact O-N 2.68Å; I378-H381 CarbonylContact O-C 3.58Å; I378-H381 PolarHBondContact O-N 3.47Å; I378-H381 VanDerWaalsContact O-N 3.15Å; I378-Q382 HydrophobicContact CG2-CG 4.28Å; I378-Q382 VanDerWaalsContact O-CG 3.31Å; I378-Q382 WeakPolarHBondContact O-CG 3.06Å; I378-Q382 PolarHBondContact O-N 3.32Å; I378-L392 HydrophobicContact CD1-CD1 3.83Å; I378-L392 HydrophobicContact CG2-CD1 4.15Å
379H91.1Very high89.9Confident115 Ų11551.9 Ų51.953%0.53228%0.282SS..Hα-helixtrans-57.5-43.2177.7-179.2-91.7000112P375 K376 Q382 H383P375-H379 VanDerWaalsContact O-CB 3.25Å; P375-H379 WeakPolarHBondContact O-CB 3.41Å; P375-H379 PolarHBondContact O-N 3.44Å; K376-H379 PolarHBondContact O-N 2.96Å; H379-Q382 PolarHBondContact O-N 3.4Å; H379-H383 AromaticContact CD2-CE1 3.97Å; H379-H383 AromaticContact CE1-CE1 3.74Å; H379-H383 AromaticContact CE1-ND1 3.95Å; H379-H383 AromaticContact NE2-CE1 3.46Å; H379-H383 PolarHBondContact NE2-CE1 3.42Å; H379-H383 PolarHBondContact O-ND1 2.86Å
380Y92.5Very high90.1Very high61 Ų6147.9 Ų47.924%0.23927%0.267CS..Hα-helixtrans-61.6-48.2175.1-179.5-92.2000111.9Y369 F371 K376 L377 I378 Q382 H383 N384 A386Y369-Y380 HydrophobicContact CD1-CE1 4.1Å; Y369-Y380 AromaticContact CD1-CZ 3.8Å; Y369-Y380 WeakPolarHBondContact CD1-OH 3.4Å; Y369-Y380 HydrophobicContact CD2-CE1 4.42Å; Y369-Y380 WeakPolarHBondContact CE1-OH 3.44Å; Y369-Y380 HydrophobicContact CG-CE1 4.02Å; F371-Y380 VanDerWaalsContact CE1-CB 3.43Å; F371-Y380 HydrophobicContact CE1-CD1 4.04Å; F371-Y380 AromaticContact CE1-CD2 3.9Å; F371-Y380 HydrophobicContact CE1-CD2 3.9Å; F371-Y380 AromaticContact CE1-CG 3.52Å; F371-Y380 HydrophobicContact CE1-CG 3.52Å; F371-Y380 HydrophobicContact CE2-CD1 4.3Å; F371-Y380 AromaticContact CZ-CD1 3.37Å; F371-Y380 HydrophobicContact CZ-CD1 3.37Å; F371-Y380 HydrophobicContact CZ-CD2 4.04Å; F371-Y380 HydrophobicContact CZ-CE1 4.03Å; F371-Y380 AromaticContact CZ-CG 3.36Å; F371-Y380 HydrophobicContact CZ-CG 3.36Å; K376-Y380 PolarHBondContact O-N 3.11Å; L377-Y380 PolarHBondContact O-N 3.05Å; I378-Y380 VanDerWaalsContact C-N 3.3Å; I378-Y380 PolarHBondContact O-N 2.68Å; Y380-Q382 PolarHBondContact O-N 3.15Å; Y380-H383 PolarHBondContact O-N 3.43Å; Y380-H383 VanDerWaalsContact O-N 3.1Å; Y380-N384 HydrophobicContact CD1-CB 4.36Å; Y380-N384 HydrophobicContact CE1-CB 3.89Å; Y380-N384 PolarHBondContact O-N 2.8Å; Y380-N384 PolarHBondContact O-ND2 3.23Å; Y380-A386 HydrophobicContact CE1-CB 3.59Å
381H92.8Very high90.2Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-73.7-13.2-177.9-77.2-73.1000114.2L377 I378 H383 N384 S385 M388 R391 L392L377-H381 PolarHBondContact O-CD2 2.94Å; L377-H381 VanDerWaalsContact O-CD2 3.28Å; L377-H381 PolarHBondContact O-N 3.07Å; I378-H381 CarbonylContact O-C 3.58Å; I378-H381 PolarHBondContact O-N 3.47Å; I378-H381 VanDerWaalsContact O-N 3.15Å; H381-H383 VanDerWaalsContact C-N 3.33Å; H381-N384 CarbonylContact C-O 3.58Å; H381-N384 WeakPolarHBondContact CA-O 3.47Å; H381-N384 VanDerWaalsContact O-O 3.09Å; H381-S385 PolarHBondContact ND1-O 2.81Å; H381-M388 HydrophobicContact CB-SD 4.01Å; H381-M388 PolarHBondContact ND1-SD 3.01Å; H381-R391 WeakPolarHBondContact O-CA 3.3Å; H381-L392 HydrophobicContact CB-CD1 3.64Å; H381-L392 HydrophobicContact CB-CG 3.92Å; H381-L392 PolarHBondContact O-N 3.15Å
382Q90.7Very high90.3Very high57 Ų5749.8 Ų49.827%0.26627%0.266SS..Hα-helixtrans-68.8-34.5167.3-76.3174.3-37.800112.5F323 I378 H379 Y380 L392F323-Q382 HydrophobicContact CE1-CG 4.49Å; F323-Q382 HydrophobicContact CZ-CG 4.23Å; I378-Q382 HydrophobicContact CG2-CG 4.28Å; I378-Q382 VanDerWaalsContact O-CG 3.31Å; I378-Q382 WeakPolarHBondContact O-CG 3.06Å; I378-Q382 PolarHBondContact O-N 3.32Å; H379-Q382 PolarHBondContact O-N 3.4Å; Y380-Q382 PolarHBondContact O-N 3.15Å; Q382-L392 WeakPolarHBondContact CA-O 3.45Å; Q382-L392 HydrophobicContact CB-CB 4.46Å; Q382-L392 HydrophobicContact CG-CB 3.81Å; Q382-L392 WeakPolarHBondContact CG-O 3.37Å
383H88.8Confident90.2Very high112 Ų11250.1 Ų50.152%0.51926%0.259SS..Hα-helixtrans-91.4-33.2-179.6-64.184.4000111.8H379 Y380 H381H379-H383 AromaticContact CD2-CE1 3.97Å; H379-H383 AromaticContact CE1-CE1 3.74Å; H379-H383 AromaticContact CE1-ND1 3.95Å; H379-H383 AromaticContact NE2-CE1 3.46Å; H379-H383 PolarHBondContact NE2-CE1 3.42Å; H379-H383 PolarHBondContact O-ND1 2.86Å; Y380-H383 PolarHBondContact O-N 3.43Å; Y380-H383 VanDerWaalsContact O-N 3.1Å; H381-H383 VanDerWaalsContact C-N 3.33Å
384N87.6Confident90Very high72 Ų7251.5 Ų51.539%0.38526%0.262SS..  trans-127.3133.6-173.2-57.5-73.8000111.6Y380 H381 A386Y380-N384 HydrophobicContact CD1-CB 4.36Å; Y380-N384 HydrophobicContact CE1-CB 3.89Å; Y380-N384 PolarHBondContact O-N 2.8Å; Y380-N384 PolarHBondContact O-ND2 3.23Å; H381-N384 CarbonylContact C-O 3.58Å; H381-N384 WeakPolarHBondContact CA-O 3.47Å; H381-N384 VanDerWaalsContact O-O 3.09Å; N384-A386 HydrophobicContact CB-CB 4.26Å
385S83.4Confident89.9Confident57 Ų5753.7 Ų53.740%0.39928%0.276SS..  trans-71.1-39.2173.655.30000111.9H381 G387 M388H381-S385 PolarHBondContact ND1-O 2.81Å; S385-G387 VanDerWaalsContact C-N 3.3Å; S385-G387 PolarHBondContact O-N 3.16Å; S385-G387 VanDerWaalsContact O-N 3.14Å; S385-M388 VanDerWaalsContact O-CB 3.25Å; S385-M388 WeakPolarHBondContact O-CB 3.47Å; S385-M388 WeakPolarHBondContact O-CG 3.4Å; S385-M388 PolarHBondContact O-N 2.77Å
386A84.4Confident89.5Confident18 Ų1853.1 Ų53.115%0.14927%0.272CS..THydrogen-bonded Turntrans46.847168.700000114.5Y369 Y380 N384Y369-A386 HydrophobicContact CD2-CB 3.72Å; Y369-A386 HydrophobicContact CE2-CB 3.58Å; Y380-A386 HydrophobicContact CE1-CB 3.59Å; N384-A386 HydrophobicContact CB-CB 4.26Å
387G82.2Confident88.7Confident70 Ų7050.2 Ų50.272%0.72226%0.264SS*.THydrogen-bonded Turntrans96.5-9.8-178.700000115.2S385S385-G387 VanDerWaalsContact C-N 3.3Å; S385-G387 PolarHBondContact O-N 3.16Å; S385-G387 VanDerWaalsContact O-N 3.14Å
388M88.4Confident87.4Confident12 Ų1252.8 Ų52.86%0.05928%0.28CS..SBendtrans-81.1159.2170.7-56.1-177.279.800112.1V336 L338 Y353 L365 H381 S385 T390 L392V336-M388 HydrophobicContact CG1-CE 4.2Å; L338-M388 HydrophobicContact CD2-CB 4.28Å; L338-M388 HydrophobicContact CD2-CE 3.73Å; Y353-M388 HydrophobicContact CD1-CE 4.34Å; Y353-M388 HydrophobicContact CD1-CG 4.45Å; Y353-M388 HydrophobicContact CD2-CE 3.36Å; Y353-M388 HydrophobicContact CE1-CB 4.37Å; Y353-M388 HydrophobicContact CE1-CG 4.2Å; Y353-M388 HydrophobicContact CE2-CE 3.59Å; Y353-M388 HydrophobicContact CG-CE 3.78Å; L365-M388 HydrophobicContact CD1-CE 3.84Å; L365-M388 HydrophobicContact CD1-SD 3.67Å; H381-M388 HydrophobicContact CB-SD 4.01Å; H381-M388 PolarHBondContact ND1-SD 3.01Å; S385-M388 VanDerWaalsContact O-CB 3.25Å; S385-M388 WeakPolarHBondContact O-CB 3.47Å; S385-M388 WeakPolarHBondContact O-CG 3.4Å; S385-M388 PolarHBondContact O-N 2.77Å; M388-T390 PolarHBondContact O-N 3.24Å; M388-L392 HydrophobicContact CE-CD2 3.93Å; M388-L392 HydrophobicContact SD-CD2 4.29Å
389I87.6Confident85.7Confident70 Ų7056.4 Ų56.436%0.35930%0.296SS..SBendtrans-60-32-178.8-170.4166.2000113.2L338 K351 Y353L338-I389 HydrophobicContact CD2-CG2 3.59Å; L338-I389 HydrophobicContact CG-CG2 4.08Å; K351-I389 HydrophobicContact CB-CG2 4.43Å; K351-I389 HydrophobicContact CG-CD1 4.17Å; K351-I389 HydrophobicContact CG-CG2 4.23Å; Y353-I389 PolarHBondContact OH-N 2.99Å
390T90.8Very high83.8Confident10 Ų1053.5 Ų53.56%0.06129%0.292CS..SBendtrans-155.5161.9168.21730000108.5E320 L338 M388 R393E320-T390 WeakPolarHBondContact OE1-CG2 3.39Å; L338-T390 HydrophobicContact CD1-CG2 4.04Å; L338-T390 HydrophobicContact CD2-CG2 4.03Å; L338-T390 VanDerWaalsContact CD2-O 3.25Å; L338-T390 WeakPolarHBondContact CD2-O 3.2Å; L338-T390 HydrophobicContact CG-CG2 4.22Å; M388-T390 PolarHBondContact O-N 3.24Å; T390-R393 PolarHBondContact OG1-NH2 3.41Å
391R92.5Very high82Confident119 Ų11954.1 Ų54.145%0.44930%0.299SS..  trans-61.9153.5167.169.7-177.6179.3-145.71111.5H381 R393H381-R391 WeakPolarHBondContact O-CA 3.3Å; R391-R393 HydrophobicContact CG-CG 3.79Å; R391-R393 PolarHBondContact O-N 3.44Å
392L93.8Very high80.1Confident2 Ų258.8 Ų58.81%0.0132%0.32CS..  trans-75.3111.3177-51.9-179.7000109.5F323 V336 L338 I378 H381 Q382 M388F323-L392 HydrophobicContact CB-CD2 3.73Å; F323-L392 HydrophobicContact CD1-CB 3.62Å; F323-L392 HydrophobicContact CD1-CD2 4.36Å; F323-L392 HydrophobicContact CD1-CG 4.47Å; F323-L392 HydrophobicContact CD2-CB 4.13Å; F323-L392 HydrophobicContact CD2-CD1 3.89Å; F323-L392 HydrophobicContact CD2-CD2 4.02Å; F323-L392 HydrophobicContact CD2-CG 4.23Å; F323-L392 HydrophobicContact CE1-CB 3.7Å; F323-L392 HydrophobicContact CE2-CB 4.21Å; F323-L392 HydrophobicContact CE2-CD1 3.94Å; F323-L392 HydrophobicContact CG-CB 3.85Å; F323-L392 HydrophobicContact CG-CD1 4.37Å; F323-L392 HydrophobicContact CG-CD2 3.78Å; F323-L392 HydrophobicContact CG-CG 4.2Å; F323-L392 HydrophobicContact CZ-CB 4Å; F323-L392 HydrophobicContact CZ-CD1 4.44Å; V336-L392 HydrophobicContact CG1-CD1 4.43Å; V336-L392 HydrophobicContact CG1-CD2 4.17Å; L338-L392 HydrophobicContact CD1-CD2 3.75Å; L338-L392 HydrophobicContact CD2-CD2 4.13Å; L338-L392 HydrophobicContact CG-CD2 4.39Å; I378-L392 HydrophobicContact CD1-CD1 3.83Å; I378-L392 HydrophobicContact CG2-CD1 4.15Å; H381-L392 HydrophobicContact CB-CD1 3.64Å; H381-L392 HydrophobicContact CB-CG 3.92Å; H381-L392 PolarHBondContact O-N 3.15Å; Q382-L392 WeakPolarHBondContact CA-O 3.45Å; Q382-L392 HydrophobicContact CB-CB 4.46Å; Q382-L392 HydrophobicContact CG-CB 3.81Å; Q382-L392 WeakPolarHBondContact CG-O 3.37Å; M388-L392 HydrophobicContact CE-CD2 3.93Å; M388-L392 HydrophobicContact SD-CD2 4.29Å
393R89.8Confident78.7Confident110 Ų11056.3 Ų56.342%0.41531%0.308SS..  trans-111.1-42.8-172.6-60-177.2-161-173.77.5113.3G321 T390 R391G321-R393 PolarHBondContact O-N 3.37Å; T390-R393 PolarHBondContact OG1-NH2 3.41Å; R391-R393 HydrophobicContact CG-CG 3.79Å; R391-R393 PolarHBondContact O-N 3.44Å
394H88.3Confident77.3Confident68 Ų6853.4 Ų53.432%0.31530%0.299SS..EExtended strand (participates in β ladder)trans-127.498.9-167.5-56.9-53.3000109.6E320 G321 A322 F323 V396E320-H394 PolarHBondContact O-CD2 3.39Å; E320-H394 VanDerWaalsContact O-CD2 3.27Å; G321-H394 PolarHBondContact O-N 2.85Å; A322-H394 CarbonylContact C-O 3.57Å; A322-H394 WeakPolarHBondContact CA-O 3.48Å; A322-H394 HydrophobicContact CB-CB 4.33Å; F323-H394 PolarHBondContact N-O 2.85Å; H394-V396 PolarHBondContact O-N 3.36Å
395P88.4Confident75.8Confident52 Ų5256.3 Ų56.334%0.33832%0.315SS..EExtended strand (participates in β ladder)trans-60.6138.917628.3-35.2000109.7W300 F323W300-P395 HydrophobicContact CB-CB 3.83Å; F323-P395 HydrophobicContact CE1-CB 3.98Å; F323-P395 HydrophobicContact CZ-CB 4.08Å; F323-P395 CarbonylContact O-C 3.43Å
396V85.4Confident74.3Confident12 Ų1258.9 Ų58.97%0.07333%0.333CS..  trans-115.8106175.1-178.80000107.1L313 L314 K317 A322 F323 M324 H394L313-V396 HydrophobicContact CB-CG1 4.3Å; L314-V396 HydrophobicContact CD2-CB 4.02Å; L314-V396 HydrophobicContact CD2-CG2 3.78Å; K317-V396 HydrophobicContact CB-CG2 3.91Å; K317-V396 HydrophobicContact CD-CG2 4.3Å; K317-V396 HydrophobicContact CG-CG2 3.78Å; A322-V396 HydrophobicContact CB-CG2 3.94Å; F323-V396 PolarHBondContact O-N 2.92Å; M324-V396 WeakPolarHBondContact CB-O 3.11Å; M324-V396 HydrophobicContact CE-CB 3.74Å; M324-V396 HydrophobicContact CE-CG1 3.45Å; M324-V396 VanDerWaalsContact CE-CG1 3.45Å; H394-V396 PolarHBondContact O-N 3.36Å
397S77Confident72.7Confident37 Ų3759.7 Ų59.726%0.25934%0.336SS..  trans-83.7142.2179-167.70000111D299 K399D299-S397 WeakPolarHBondContact O-CA 3.47Å; D299-S397 WeakPolarHBondContact O-CB 3.47Å; D299-S397 PolarHBondContact O-N 3.13Å; D299-S397 PolarHBondContact O-OG 3.13Å; S397-K399 WeakPolarHBondContact OG-CA 3.37Å; S397-K399 VanDerWaalsContact OG-CB 3.26Å; S397-K399 WeakPolarHBondContact OG-CB 3.48Å; S397-K399 PolarHBondContact OG-N 3.33Å; S397-K399 PolarHBondContact OG-O 2.86Å; S397-K399 VanDerWaalsContact OG-O 3.13Å
398T65.1Low71.1Confident54 Ų5458.7 Ų58.733%0.33132%0.318SS..SBendtrans-87.6-17.6161.452.40000111.9A302 I305 L313 A400A302-T398 VanDerWaalsContact CA-OG1 3.29Å; A302-T398 WeakPolarHBondContact CA-OG1 3.35Å; A302-T398 HydrophobicContact CB-CG2 3.59Å; A302-T398 PolarHBondContact O-OG1 2.71Å; I305-T398 HydrophobicContact CD1-CG2 3.72Å; L313-T398 HydrophobicContact CD1-CG2 3.8Å; T398-A400 PolarHBondContact O-N 3.01Å
399K59.9Low69.4Low77 Ų7761.5 Ų61.534%0.33533%0.332SS..SBendtrans-66106.2165.5-47176-163.2160.80104.9D296 Y298 S397 N401D296-K399 VanDerWaalsContact O-CE 3.25Å; D296-K399 WeakPolarHBondContact O-CE 3.34Å; D296-K399 PolarHBondContact O-NZ 2.98Å; Y298-K399 PolarHBondContact O-NZ 3.13Å; S397-K399 WeakPolarHBondContact OG-CA 3.37Å; S397-K399 VanDerWaalsContact OG-CB 3.26Å; S397-K399 WeakPolarHBondContact OG-CB 3.48Å; S397-K399 PolarHBondContact OG-N 3.33Å; S397-K399 PolarHBondContact OG-O 2.86Å; S397-K399 VanDerWaalsContact OG-O 3.13Å; K399-N401 PolarHBondContact O-N 3.12Å
400A51.8Low67.2Low54 Ų5461 Ų6145%0.44634%0.344SS..  trans-44.8147171.600000108.7T398 K402T398-A400 PolarHBondContact O-N 3.01Å; A400-K402 HydrophobicContact CB-CG 3.95Å; A400-K402 PolarHBondContact O-N 2.89Å
401N53.1Low64.9Low74 Ų7468.1 Ų68.140%0.39638%0.382SS..  trans-64.957.3175.5-56-63.8000110.5K399 K439 Y444 D445K399-N401 PolarHBondContact O-N 3.12Å; N401-K439 PolarHBondContact ND2-NZ 3.4Å; N401-Y444 WeakPolarHBondContact O-CA 3.25Å; N401-D445 PolarHBondContact ND2-OD2 2.89Å; N401-D445 PolarHBondContact O-N 3.28Å; N401-D445 VanDerWaalsContact O-N 3.11Å
402K54.2Low63Low98 Ų9865.5 Ų65.543%0.42639%0.392SS..PPolyproline II helixtrans-71.9133.9178.2-66.9-174.5179.3179.80106A400 P404A400-K402 HydrophobicContact CB-CG 3.95Å; A400-K402 PolarHBondContact O-N 2.89Å; K402-P404 WeakPolarHBondContact O-CD 3.43Å
403V60.3Low61.5Low5 Ų570.7 Ų70.73%0.0342%0.419CS..PPolyproline II helixtrans-57123.8172.1175.90000107.7V407 W440 Y444 V446 Y480V403-V407 HydrophobicContact CG1-CB 3.77Å; V403-V407 HydrophobicContact CG1-CG1 3.89Å; V403-W440 HydrophobicContact CG1-CE3 4.25Å; V403-W440 HydrophobicContact CG1-CZ3 3.67Å; V403-W440 HydrophobicContact CG2-CE3 3.83Å; V403-W440 HydrophobicContact CG2-CZ3 4.1Å; V403-Y444 HydrophobicContact CG2-CD1 4.41Å; V403-Y444 HydrophobicContact CG2-CG 3.94Å; V403-V446 HydrophobicContact CG2-CG1 4.41Å; V403-Y480 HydrophobicContact CB-CD1 4.35Å; V403-Y480 HydrophobicContact CB-CE1 3.65Å; V403-Y480 HydrophobicContact CB-CE2 4.04Å; V403-Y480 VanDerWaalsContact CB-CZ 3.48Å; V403-Y480 WeakPolarHBondContact CB-OH 3.38Å; V403-Y480 HydrophobicContact CG1-CD1 4.31Å; V403-Y480 HydrophobicContact CG1-CE1 4Å; V403-Y480 HydrophobicContact CG2-CD1 4.44Å; V403-Y480 HydrophobicContact CG2-CD2 3.98Å; V403-Y480 HydrophobicContact CG2-CE1 3.96Å; V403-Y480 HydrophobicContact CG2-CE2 3.42Å; V403-Y480 VanDerWaalsContact CG2-CE2 3.42Å; V403-Y480 HydrophobicContact CG2-CG 4.46Å; V403-Y480 VanDerWaalsContact CG2-CZ 3.43Å
404P59.1Low61.1Low51 Ų5169.1 Ų69.133%0.33141%0.413SS..PPolyproline II helixtrans-56.5146.4178.1-22.129.6000111.1K402 S406 V407 Y444K402-P404 WeakPolarHBondContact O-CD 3.43Å; P404-S406 PolarHBondContact O-N 2.63Å; P404-S406 VanDerWaalsContact O-N 3.12Å; P404-V407 HydrophobicContact CB-CG2 4Å; P404-V407 HydrophobicContact CG-CG2 3.93Å; P404-V407 PolarHBondContact O-N 3.12Å; P404-Y444 VanDerWaalsContact CD-CE1 3.42Å; P404-Y444 HydrophobicContact CG-CE1 4.14Å
405D56.4Low61Low133 Ų13368.1 Ų68.171%0.71141%0.408SS*.G310 helixtrans-60.9-24.1178.6-72.2-40.5000113V407 S408 K478D405-V407 VanDerWaalsContact C-N 3.31Å; D405-V407 PolarHBondContact O-N 2.89Å; D405-S408 WeakPolarHBondContact O-CB 3.32Å; D405-S408 PolarHBondContact O-N 3.16Å; D405-S408 PolarHBondContact O-OG 2.58Å; D405-K478 IonicContact OD1-NZ 2.74Å; D405-K478 PolarHBondContact OD1-NZ 3.03Å
406S51.7Low61.1Low111 Ų11166 Ų6678%0.77640%0.395SS*.G310 helixtrans-73.2-17.2172.8570000114.6P404P404-S406 PolarHBondContact O-N 2.63Å; P404-S406 VanDerWaalsContact O-N 3.12Å
407V51.6Low61.3Low35 Ų3571.7 Ų71.721%0.21242%0.418CS..G310 helixtrans-92.2-7.5177.8-176.20000111.3V403 P404 D405 L409 W440V403-V407 HydrophobicContact CG1-CB 3.77Å; V403-V407 HydrophobicContact CG1-CG1 3.89Å; P404-V407 HydrophobicContact CB-CG2 4Å; P404-V407 HydrophobicContact CG-CG2 3.93Å; P404-V407 PolarHBondContact O-N 3.12Å; D405-V407 VanDerWaalsContact C-N 3.31Å; D405-V407 PolarHBondContact O-N 2.89Å; V407-L409 PolarHBondContact O-N 3.43Å; V407-L409 VanDerWaalsContact O-N 3.08Å; V407-W440 HydrophobicContact CG1-CH2 3.6Å; V407-W440 HydrophobicContact CG1-CZ3 3.67Å
408S49Very low62Low48 Ų4871.7 Ų71.734%0.33641%0.413SS..SBendtrans-56.8114.7161.5-26.10000107.1D405 G410 K478D405-S408 WeakPolarHBondContact O-CB 3.32Å; D405-S408 PolarHBondContact O-N 3.16Å; D405-S408 PolarHBondContact O-OG 2.58Å; S408-G410 PolarHBondContact O-N 3.48Å; S408-K478 PolarHBondContact OG-NZ 2.82Å
409L52.1Low63.3Low71 Ų7176.6 Ų76.637%0.37243%0.432SS..  trans-56.498.7-172.1-99.266.7000110.9V407 I413 W440V407-L409 PolarHBondContact O-N 3.43Å; V407-L409 VanDerWaalsContact O-N 3.08Å; L409-I413 WeakPolarHBondContact CB-O 3.42Å; L409-I413 HydrophobicContact CD2-CB 3.96Å; L409-I413 HydrophobicContact CD2-CG2 3.95Å; L409-I413 WeakPolarHBondContact CD2-O 3.41Å; L409-W440 HydrophobicContact CD1-CH2 4.17Å
410G41.1Very low64.8Low59 Ų5975.5 Ų75.561%0.60843%0.428SS*.THydrogen-bonded Turntrans-60.7137.1156.300000108.4S408S408-G410 PolarHBondContact O-N 3.48Å
411N43.2Very low66.8Low161 Ų16173.6 Ų73.686%0.86141%0.41SS*.THydrogen-bonded Turntrans91.829.1175.5-48.7-21.6000117.6I413N411-I413 PolarHBondContact O-N 3.33Å
412G51.2Low68.7Low64 Ų6473.5 Ų73.566%0.6641%0.412SS*.SBendtrans718.9158.800000116.2W414G412-W414 VanDerWaalsContact O-CD1 3.25Å
413I63.6Low70.6Confident111 Ų11171.5 Ų71.557%0.56941%0.406SS*.  trans-90.6116.5166.8-58.1170000105.5L409 N411L409-I413 WeakPolarHBondContact CB-O 3.42Å; L409-I413 HydrophobicContact CD2-CB 3.96Å; L409-I413 HydrophobicContact CD2-CG2 3.95Å; L409-I413 WeakPolarHBondContact CD2-O 3.41Å; N411-I413 PolarHBondContact O-N 3.33Å
414W80Confident72Confident76 Ų7675.9 Ų75.929%0.28843%0.428SS..  trans-119.44.8176.543.1-83.5000110.8G412 F462 A465 T469 F479 G481 V482G412-W414 VanDerWaalsContact O-CD1 3.25Å; W414-F462 AromaticContact CH2-CD1 3.53Å; W414-F462 HydrophobicContact CH2-CD1 3.53Å; W414-F462 AromaticContact CH2-CE1 3.53Å; W414-F462 HydrophobicContact CH2-CE1 3.53Å; W414-F462 HydrophobicContact CZ2-CD1 4.23Å; W414-F462 HydrophobicContact CZ2-CE1 4.22Å; W414-A465 HydrophobicContact CE3-CB 4.23Å; W414-A465 HydrophobicContact CZ3-CB 3.84Å; W414-T469 HydrophobicContact CB-CG2 4.33Å; W414-T469 HydrophobicContact CG-CG2 4.31Å; W414-F479 HydrophobicContact CB-CE1 4.48Å; W414-G481 CarbonylContact O-C 3.6Å; W414-G481 WeakPolarHBondContact O-CA 3.33Å; W414-V482 HydrophobicContact CE3-CB 4.48Å; W414-V482 HydrophobicContact CE3-CG1 4.2Å; W414-V482 HydrophobicContact CE3-CG2 3.55Å; W414-V482 HydrophobicContact CZ3-CG1 4.29Å; W414-V482 HydrophobicContact CZ3-CG2 3.47Å; W414-V482 VanDerWaalsContact CZ3-CG2 3.47Å; W414-V482 PolarHBondContact O-N 3.39Å
415E87.9Confident73.5Confident47 Ų4780.2 Ų80.222%0.2244%0.442CS..BIsolated β-bridgetrans-83113.1171.5-171.965.3-163.600109.6V482 S484 K485E415-V482 CarbonylContact C-O 3.49Å; E415-V482 WeakPolarHBondContact CA-O 3.42Å; E415-V482 VanDerWaalsContact OE2-CG2 3.3Å; E415-V482 WeakPolarHBondContact OE2-CG2 3.46Å; E415-S484 PolarHBondContact OE1-N 3.4Å; E415-S484 PolarHBondContact OE2-N 3.34Å; E415-S484 PolarHBondContact OE2-OG 3.39Å; E415-S484 VanDerWaalsContact OE2-OG 3.14Å; E415-K485 PolarHBondContact OE1-N 3.17Å
416L89.1Confident75.2Confident9 Ų978.7 Ų78.75%0.04743%0.431CS..  trans-89.5146.1176.2-59.6175.5000110.1R418 I421 W440 V482 C483 V492L416-R418 PolarHBondContact O-N 2.99Å; L416-I421 HydrophobicContact CD1-CD1 4.34Å; L416-W440 HydrophobicContact CD2-CH2 4.18Å; L416-W440 HydrophobicContact CD2-CZ2 3.61Å; L416-V482 PolarHBondContact N-O 2.99Å; L416-C483 PolarHBondContact O-SG 3.23Å; L416-V492 HydrophobicContact CD1-CB 3.71Å; L416-V492 HydrophobicContact CD1-CG1 4.03Å; L416-V492 HydrophobicContact CD1-CG2 3.72Å
417K89.9Confident76.9Confident130 Ų13077 Ų7757%0.56541%0.413SS*.  trans-72.6121.4171.9-70.8-177.6-173.4173.70109.3E419 E420K417-E419 WeakPolarHBondContact CB-OE2 3.42Å; K417-E419 PolarHBondContact O-N 2.91Å; K417-E420 HydrophobicContact CB-CB 4.43Å; K417-E420 HydrophobicContact CB-CG 3.86Å; K417-E420 WeakPolarHBondContact O-CB 3.48Å; K417-E420 PolarHBondContact O-N 3.2Å
418R91.9Very high78.4Confident38 Ų3876.7 Ų76.714%0.14342%0.417CS..G310 helixtrans-60.6-32.4-178.7-166.6-175.7-159.4127.610.5111.9L416 E420 I421 C483 E486 P488 Y490L416-R418 PolarHBondContact O-N 2.99Å; R418-E420 PolarHBondContact O-N 3.21Å; R418-I421 PolarHBondContact O-N 3.43Å; R418-C483 HydrophobicContact CB-CB 4.43Å; R418-E486 WeakPolarHBondContact CD-OE1 3.43Å; R418-E486 IonicContact CZ-OE1 2.71Å; R418-E486 VanDerWaalsContact CZ-OE1 3.3Å; R418-E486 IonicContact NE-OE1 3.17Å; R418-E486 PolarHBondContact NE-OE1 3.17Å; R418-E486 VanDerWaalsContact NH1-CG 3.27Å; R418-E486 PolarHBondContact NH1-O 3.18Å; R418-E486 IonicContact NH1-OE1 3.06Å; R418-E486 PolarHBondContact NH1-OE1 2.84Å; R418-P488 PolarHBondContact NH1-O 3.16Å; R418-P488 PolarHBondContact NH2-O 2.95Å; R418-Y490 HydrophobicContact CG-CD2 4.29Å; R418-Y490 HydrophobicContact CG-CE2 3.84Å; R418-Y490 PolarHBondContact NE-OH 2.82Å; R418-Y490 PolarHBondContact NH2-OH 2.91Å
419E92.1Very high79.9Confident157 Ų15778.9 Ų78.973%0.73443%0.432SS*.G310 helixtrans-65.1-20.8179.1-50.675.6-16000112.2K417 I421K417-E419 WeakPolarHBondContact CB-OE2 3.42Å; K417-E419 PolarHBondContact O-N 2.91Å; E419-I421 VanDerWaalsContact C-N 3.3Å
420E91.6Very high80.7Confident54 Ų5478 Ų7825%0.25244%0.44SS..G310 helixtrans-82.8-6.5174.1-62.2-178.9174.700112.7K417 R418 W440 K441K417-E420 HydrophobicContact CB-CB 4.43Å; K417-E420 HydrophobicContact CB-CG 3.86Å; K417-E420 WeakPolarHBondContact O-CB 3.48Å; K417-E420 PolarHBondContact O-N 3.2Å; R418-E420 PolarHBondContact O-N 3.21Å; E420-W440 CarbonylContact O-C 3.6Å; E420-W440 WeakPolarHBondContact O-CA 3.2Å; E420-W440 PolarHBondContact OE2-NE1 3.25Å; E420-K441 HydrophobicContact CB-CG 4.14Å; E420-K441 HydrophobicContact CG-CG 4.3Å; E420-K441 PolarHBondContact O-N 2.83Å; E420-K441 WeakPolarHBondContact OE2-CE 3.37Å
421I93.6Very high81.7Confident14 Ų1482.3 Ų82.37%0.07244%0.444CS..EExtended strand (participates in β ladder)trans-108.6112.5-178-57-170.2000110L416 R418 E419 L423 K439 V448 Y490 V492L416-I421 HydrophobicContact CD1-CD1 4.34Å; R418-I421 PolarHBondContact O-N 3.43Å; E419-I421 VanDerWaalsContact C-N 3.3Å; I421-L423 HydrophobicContact CG2-CD2 4.34Å; I421-K439 WeakPolarHBondContact CA-O 3.46Å; I421-V448 HydrophobicContact CG2-CG2 3.88Å; I421-Y490 HydrophobicContact CD1-CD2 4.45Å; I421-V492 HydrophobicContact CD1-CG1 4.35Å; I421-V492 HydrophobicContact CD1-CG2 3.44Å; I421-V492 VanDerWaalsContact CD1-CG2 3.44Å
422T93.6Very high82.7Confident72 Ų7276.6 Ų76.644%0.44241%0.412SS..EExtended strand (participates in β ladder)trans-97.8116.7171.1-530000109.5L424 G438 K439T422-L424 HydrophobicContact CG2-CD2 4.17Å; T422-G438 CarbonylContact O-C 3.58Å; T422-G438 WeakPolarHBondContact O-CA 3.46Å; T422-K439 PolarHBondContact N-O 3.23Å; T422-K439 PolarHBondContact O-N 2.74Å
423L93.7Very high83.8Confident56 Ų5674.1 Ų74.129%0.29339%0.387SS..EExtended strand (participates in β ladder)trans-74.4138.4173.1-61.6179.2000110.3I421 Q436 V448 M450 Y490I421-L423 HydrophobicContact CG2-CD2 4.34Å; L423-Q436 HydrophobicContact CD2-CB 4.41Å; L423-V448 HydrophobicContact CD2-CB 3.92Å; L423-V448 HydrophobicContact CD2-CG1 3.9Å; L423-V448 HydrophobicContact CD2-CG2 4.05Å; L423-M450 HydrophobicContact CD1-SD 3.8Å; L423-Y490 WeakPolarHBondContact CD1-OH 3.36Å
424L90.5Very high84.9Confident96 Ų9670 Ų7050%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-117.9-72.6-176.4-60.4-179000112.2T422 L437 K439T422-L424 HydrophobicContact CG2-CD2 4.17Å; L424-L437 WeakPolarHBondContact CA-O 3.27Å; L424-L437 HydrophobicContact CB-CG 4.42Å; L424-L437 WeakPolarHBondContact CB-O 3.46Å; L424-L437 HydrophobicContact CD1-CD2 4.45Å; L424-L437 HydrophobicContact CD1-CG 4.27Å; L424-L437 PolarHBondContact N-O 2.8Å; L424-K439 HydrophobicContact CD1-CG 3.7Å; L424-K439 HydrophobicContact CG-CG 4.41Å
425K90.1Very high85.5Confident142 Ų14268.6 Ų68.662%0.61737%0.366SS*.EExtended strand (participates in β ladder)trans-134.6136.3-168.1-176.6-168.3168.5-173.30110.2L427 Q436 L437K425-L427 PolarHBondContact O-N 3.04Å; K425-Q436 CarbonylContact O-C 3.59Å; K425-Q436 VanDerWaalsContact O-CA 3.31Å; K425-Q436 WeakPolarHBondContact O-CA 3.47Å; K425-L437 HydrophobicContact CB-CB 4.45Å; K425-L437 PolarHBondContact N-O 3.24Å; K425-L437 PolarHBondContact O-N 3.17Å
426E92.4Very high85.7Confident102 Ų10268 Ų6848%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-64.3129.9169.7-170.6170.3143.300112.1V434E426-V434 HydrophobicContact CG-CG1 3.61Å
427L87.2Confident85.9Confident75 Ų7568.8 Ų68.839%0.39337%0.368SS..EExtended strand (participates in β ladder)trans-99.9-32.5176.9-63.4176.6000111.4K425 V435 L437 Y495K425-L427 PolarHBondContact O-N 3.04Å; L427-V435 HydrophobicContact CB-CG1 4.41Å; L427-V435 HydrophobicContact CD1-CG1 4.38Å; L427-V435 PolarHBondContact N-O 2.82Å; L427-L437 HydrophobicContact CD1-CB 4.01Å; L427-L437 HydrophobicContact CD2-CB 4Å; L427-L437 HydrophobicContact CG-CB 4Å; L427-Y495 HydrophobicContact CD1-CD2 3.93Å; L427-Y495 HydrophobicContact CD1-CE2 3.79Å; L427-Y495 HydrophobicContact CD2-CE2 4.02Å
428G83.4Confident86.1Confident29 Ų2962.6 Ų62.630%0.29934%0.341SS..EExtended strand (participates in β ladder)trans175.8174.8174.600000112.9V435G428-V435 PolarHBondContact N-O 2.81Å; G428-V435 PolarHBondContact O-N 2.85Å
429S79.7Confident86Confident93 Ų9362.9 Ų62.965%0.6534%0.343SS*.EExtended strand (participates in β ladder)trans-131.3133.5178.365.40000110.3
430G67.8Low85.9Confident54 Ų5455.6 Ų55.656%0.55731%0.309SS*.EExtended strand (participates in β ladder)trans-129.5-172.3178.700000112.8F432 G433G430-F432 PolarHBondContact O-N 3.46Å; G430-G433 PolarHBondContact N-O 2.85Å; G430-G433 PolarHBondContact O-N 3.06Å
431Q63.4Low85.6Confident148 Ų14857.9 Ų57.969%0.69232%0.318SS*.THydrogen-bonded Turntrans-57.9-33.3-178.7-179.7175.6-27.800112.9
432F63.6Low84.9Confident42 Ų4260 Ų6018%0.18434%0.343CS..THydrogen-bonded Turntrans-96.51-174.7-54.9-73.3000113.8G430 M456 M561G430-F432 PolarHBondContact O-N 3.46Å; F432-M456 HydrophobicContact CD1-CE 4.1Å; F432-M456 HydrophobicContact CE1-CE 4.46Å; F432-M561 HydrophobicContact CZ-SD 4.43Å
433G75.4Confident84.3Confident12 Ų1261.5 Ų61.512%0.12435%0.345CS..EExtended strand (participates in β ladder)trans131.8-157.1177.600000114G430 M450G430-G433 PolarHBondContact N-O 2.85Å; G430-G433 PolarHBondContact O-N 3.06Å; G433-M450 WeakPolarHBondContact CA-O 3.45Å
434V86.5Confident83.8Confident24 Ų2460.4 Ų60.415%0.14534%0.337CS..EExtended strand (participates in β ladder)trans-105.4136.8-172.3179.60000109.4E426 Q436 M450E426-V434 HydrophobicContact CG-CG1 3.61Å; V434-Q436 HydrophobicContact CG1-CG 3.92Å; V434-M450 HydrophobicContact CB-CE 4.24Å; V434-M450 PolarHBondContact N-O 2.88Å; V434-M450 PolarHBondContact O-N 2.77Å
435V91.1Very high83.8Confident46 Ų4657.4 Ų57.428%0.27932%0.321SS..EExtended strand (participates in β ladder)trans-103126.9173.1-174.40000108.5L427 G428 V448 K449L427-V435 HydrophobicContact CB-CG1 4.41Å; L427-V435 HydrophobicContact CD1-CG1 4.38Å; L427-V435 PolarHBondContact N-O 2.82Å; G428-V435 PolarHBondContact N-O 2.81Å; G428-V435 PolarHBondContact O-N 2.85Å; V435-V448 CarbonylContact C-O 3.47Å; V435-V448 WeakPolarHBondContact CA-O 3.45Å; V435-K449 HydrophobicContact CG2-CB 4.21Å; V435-K449 HydrophobicContact CG2-CG 4.14Å
436Q93.6Very high84Confident36 Ų3650.6 Ų50.617%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-124.3146.4178.8-57.9-157.8-26.700111.5L423 K425 V434 V448L423-Q436 HydrophobicContact CD2-CB 4.41Å; K425-Q436 CarbonylContact O-C 3.59Å; K425-Q436 VanDerWaalsContact O-CA 3.31Å; K425-Q436 WeakPolarHBondContact O-CA 3.47Å; V434-Q436 HydrophobicContact CG1-CG 3.92Å; Q436-V448 PolarHBondContact N-O 2.78Å; Q436-V448 PolarHBondContact O-N 3.49Å
437L93.7Very high84.1Confident25 Ų2546.2 Ų46.213%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-69132.6161.4172.263000107.7L424 K425 L427 D445 Y495L424-L437 WeakPolarHBondContact CA-O 3.27Å; L424-L437 HydrophobicContact CB-CG 4.42Å; L424-L437 WeakPolarHBondContact CB-O 3.46Å; L424-L437 HydrophobicContact CD1-CD2 4.45Å; L424-L437 HydrophobicContact CD1-CG 4.27Å; L424-L437 PolarHBondContact N-O 2.8Å; K425-L437 HydrophobicContact CB-CB 4.45Å; K425-L437 PolarHBondContact N-O 3.24Å; K425-L437 PolarHBondContact O-N 3.17Å; L427-L437 HydrophobicContact CD1-CB 4.01Å; L427-L437 HydrophobicContact CD2-CB 4Å; L427-L437 HydrophobicContact CG-CB 4Å; L437-D445 HydrophobicContact CD1-CB 4.33Å; L437-Y495 HydrophobicContact CD1-CD1 3.94Å; L437-Y495 HydrophobicContact CD1-CD2 3.62Å; L437-Y495 HydrophobicContact CD1-CE1 4.14Å; L437-Y495 HydrophobicContact CD1-CE2 3.84Å; L437-Y495 HydrophobicContact CD1-CG 3.66Å
438G92.7Very high84.4Confident0 Ų042.7 Ų42.70%026%0.255CS..EExtended strand (participates in β ladder)trans-135.4174.2174.100000112.5T422 V446T422-G438 CarbonylContact O-C 3.58Å; T422-G438 WeakPolarHBondContact O-CA 3.46Å; G438-V446 PolarHBondContact N-O 3.33Å; G438-V446 PolarHBondContact O-N 2.89Å
439K90.2Very high84.7Confident43 Ų4342.7 Ų42.719%0.18725%0.246CC..EExtended strand (participates in β ladder)trans-115.7121.4170.8-77.6-74.3-167.9-168.30109.4N401 I421 T422 L424 Q443 Y444 D445N401-K439 PolarHBondContact ND2-NZ 3.4Å; I421-K439 WeakPolarHBondContact CA-O 3.46Å; T422-K439 PolarHBondContact N-O 3.23Å; T422-K439 PolarHBondContact O-N 2.74Å; L424-K439 HydrophobicContact CD1-CG 3.7Å; L424-K439 HydrophobicContact CG-CG 4.41Å; K439-Q443 PolarHBondContact NZ-O 3.34Å; K439-Y444 CarbonylContact C-O 3.47Å; K439-Y444 VanDerWaalsContact CA-O 3.27Å; K439-Y444 WeakPolarHBondContact CA-O 3.25Å; K439-D445 WeakPolarHBondContact CD-OD1 3.39Å; K439-D445 WeakPolarHBondContact CE-OD1 3.36Å; K439-D445 IonicContact NZ-OD1 3.14Å; K439-D445 PolarHBondContact NZ-OD1 2.79Å; K439-D445 IonicContact NZ-OD2 2.8Å; K439-D445 PolarHBondContact NZ-OD2 2.9Å
440W89.9Confident85.1Confident4 Ų439.8 Ų39.82%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-91.1130.6168.9-176.938000110.4V403 V407 L409 L416 E420 G442 Q443 Y444 V446V403-W440 HydrophobicContact CG1-CE3 4.25Å; V403-W440 HydrophobicContact CG1-CZ3 3.67Å; V403-W440 HydrophobicContact CG2-CE3 3.83Å; V403-W440 HydrophobicContact CG2-CZ3 4.1Å; V407-W440 HydrophobicContact CG1-CH2 3.6Å; V407-W440 HydrophobicContact CG1-CZ3 3.67Å; L409-W440 HydrophobicContact CD1-CH2 4.17Å; L416-W440 HydrophobicContact CD2-CH2 4.18Å; L416-W440 HydrophobicContact CD2-CZ2 3.61Å; E420-W440 CarbonylContact O-C 3.6Å; E420-W440 WeakPolarHBondContact O-CA 3.2Å; E420-W440 PolarHBondContact OE2-NE1 3.25Å; W440-G442 PolarHBondContact O-N 3.2Å; W440-G442 VanDerWaalsContact O-N 3.16Å; W440-Q443 PolarHBondContact O-N 3.16Å; W440-Q443 VanDerWaalsContact O-N 3.07Å; W440-Y444 HydrophobicContact CE3-CD2 4.45Å; W440-Y444 PolarHBondContact N-O 2.83Å; W440-Y444 PolarHBondContact O-N 3.18Å; W440-V446 HydrophobicContact CB-CG1 3.77Å; W440-V446 HydrophobicContact CB-CG2 4.19Å
441K85.9Confident85.8Confident102 Ų10237.4 Ų37.444%0.44320%0.197SC..THydrogen-bonded Turntrans52.930.3-173.5-63.8175.7177.7174.10113.2E420 Q443E420-K441 HydrophobicContact CB-CG 4.14Å; E420-K441 HydrophobicContact CG-CG 4.3Å; E420-K441 PolarHBondContact O-N 2.83Å; E420-K441 WeakPolarHBondContact OE2-CE 3.37Å; K441-Q443 PolarHBondContact O-N 3.47Å
442G77.9Confident86.6Confident58 Ų5836.6 Ų36.660%0.59819%0.192SC*.THydrogen-bonded Turntrans65.92-176.800000115.3W440W440-G442 PolarHBondContact O-N 3.2Å; W440-G442 VanDerWaalsContact O-N 3.16Å
443Q80.8Confident87.4Confident104 Ų10441.8 Ų41.849%0.48622%0.216SC..THydrogen-bonded Turntrans-118.8-54.9-169.6-176.3176.2-5.900112K439 W440 K441K439-Q443 PolarHBondContact NZ-O 3.34Å; W440-Q443 PolarHBondContact O-N 3.16Å; W440-Q443 VanDerWaalsContact O-N 3.07Å; K441-Q443 PolarHBondContact O-N 3.47Å
444Y85.1Confident87.1Confident33 Ų3344.8 Ų44.813%0.12925%0.248CC..EExtended strand (participates in β ladder)trans-89.8132.6-167.1-52.7-71.4000112N401 V403 P404 K439 W440N401-Y444 WeakPolarHBondContact O-CA 3.25Å; V403-Y444 HydrophobicContact CG2-CD1 4.41Å; V403-Y444 HydrophobicContact CG2-CG 3.94Å; P404-Y444 VanDerWaalsContact CD-CE1 3.42Å; P404-Y444 HydrophobicContact CG-CE1 4.14Å; K439-Y444 CarbonylContact C-O 3.47Å; K439-Y444 VanDerWaalsContact CA-O 3.27Å; K439-Y444 WeakPolarHBondContact CA-O 3.25Å; W440-Y444 HydrophobicContact CE3-CD2 4.45Å; W440-Y444 PolarHBondContact N-O 2.83Å; W440-Y444 PolarHBondContact O-N 3.18Å
445D89.4Confident86.1Confident33 Ų3346.2 Ų46.218%0.17626%0.259CS..EExtended strand (participates in β ladder)trans-76.2126.3176.6-68.2-49.4000109.6N401 L437 K439 Y495N401-D445 PolarHBondContact ND2-OD2 2.89Å; N401-D445 PolarHBondContact O-N 3.28Å; N401-D445 VanDerWaalsContact O-N 3.11Å; L437-D445 HydrophobicContact CD1-CB 4.33Å; K439-D445 WeakPolarHBondContact CD-OD1 3.39Å; K439-D445 WeakPolarHBondContact CE-OD1 3.36Å; K439-D445 IonicContact NZ-OD1 3.14Å; K439-D445 PolarHBondContact NZ-OD1 2.79Å; K439-D445 IonicContact NZ-OD2 2.8Å; K439-D445 PolarHBondContact NZ-OD2 2.9Å; D445-Y495 HydrophobicContact CB-CD1 3.97Å; D445-Y495 HydrophobicContact CB-CG 4.36Å
446V93.8Very high85.1Confident0 Ų045.3 Ų45.30%025%0.252CS..EExtended strand (participates in β ladder)trans-132.5150-177.8-63.30000110.8V403 G438 W440 V448 Y480 V492 T493V403-V446 HydrophobicContact CG2-CG1 4.41Å; G438-V446 PolarHBondContact N-O 3.33Å; G438-V446 PolarHBondContact O-N 2.89Å; W440-V446 HydrophobicContact CB-CG1 3.77Å; W440-V446 HydrophobicContact CB-CG2 4.19Å; V446-V448 HydrophobicContact CG2-CG2 3.89Å; V446-Y480 HydrophobicContact CG1-CD2 3.86Å; V446-Y480 HydrophobicContact CG1-CE2 3.92Å; V446-V492 HydrophobicContact CB-CG1 3.77Å; V446-V492 HydrophobicContact CG1-CG1 4.01Å; V446-V492 HydrophobicContact CG2-CG1 3.99Å; V446-T493 WeakPolarHBondContact CA-O 3.41Å
447A94.5Very high83.9Confident10 Ų1046.1 Ų46.18%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-96126.3166.900000109.1V492 T493A447-V492 WeakPolarHBondContact O-CA 3.29Å; A447-T493 PolarHBondContact N-O 3.41Å; A447-T493 PolarHBondContact O-N 3.42Å; A447-T493 PolarHBondContact O-OG1 3.07Å
448V93.2Very high82.6Confident0 Ų050.5 Ų50.50%028%0.281CS..EExtended strand (participates in β ladder)trans-114.8107-176.2-172.30000108.8I421 L423 V435 Q436 V446 M450 Y490 I491I421-V448 HydrophobicContact CG2-CG2 3.88Å; L423-V448 HydrophobicContact CD2-CB 3.92Å; L423-V448 HydrophobicContact CD2-CG1 3.9Å; L423-V448 HydrophobicContact CD2-CG2 4.05Å; V435-V448 CarbonylContact C-O 3.47Å; V435-V448 WeakPolarHBondContact CA-O 3.45Å; Q436-V448 PolarHBondContact N-O 2.78Å; Q436-V448 PolarHBondContact O-N 3.49Å; V446-V448 HydrophobicContact CG2-CG2 3.89Å; V448-M450 HydrophobicContact CG1-CG 4.44Å; V448-Y490 HydrophobicContact CG1-CD1 3.88Å; V448-Y490 HydrophobicContact CG1-CD2 3.84Å; V448-Y490 HydrophobicContact CG1-CE1 4.43Å; V448-Y490 HydrophobicContact CG1-CE2 4.39Å; V448-Y490 HydrophobicContact CG1-CG 3.56Å; V448-I491 WeakPolarHBondContact CA-O 3.49Å
449K90Very high81.4Confident29 Ų2956.3 Ų56.313%0.12631%0.312CS..EExtended strand (participates in β ladder)trans-87.7116.3172.3-178.2177.7-178.1-174.70108.1V435 Y490 I491 D558V435-K449 HydrophobicContact CG2-CB 4.21Å; V435-K449 HydrophobicContact CG2-CG 4.14Å; K449-Y490 WeakPolarHBondContact O-CA 3.36Å; K449-I491 HydrophobicContact CB-CB 4.26Å; K449-I491 PolarHBondContact N-O 2.76Å; K449-I491 PolarHBondContact O-N 3.26Å; K449-D558 IonicContact NZ-OD1 3.03Å; K449-D558 PolarHBondContact NZ-OD1 2.94Å
450M88.1Confident80.3Confident32 Ų3258.9 Ų58.916%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-95.8119.7-178.8-49.3-167.9-35.300110.3L423 G433 V434 V448 P488 I489 Y490L423-M450 HydrophobicContact CD1-SD 3.8Å; G433-M450 WeakPolarHBondContact CA-O 3.45Å; V434-M450 HydrophobicContact CB-CE 4.24Å; V434-M450 PolarHBondContact N-O 2.88Å; V434-M450 PolarHBondContact O-N 2.77Å; V448-M450 HydrophobicContact CG1-CG 4.44Å; M450-P488 HydrophobicContact CB-CB 4.35Å; M450-I489 CarbonylContact C-O 3.5Å; M450-I489 WeakPolarHBondContact CA-O 3.47Å; M450-Y490 HydrophobicContact CB-CD1 4.22Å; M450-Y490 HydrophobicContact CB-CE1 4.18Å; M450-Y490 HydrophobicContact CG-CD1 3.87Å; M450-Y490 HydrophobicContact CG-CE1 3.64Å; M450-Y490 HydrophobicContact SD-CE1 3.78Å
451I82.9Confident79.4Confident4 Ų458.9 Ų58.92%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-100.2123.1178.6-58.5178.9000108.7S455 M456 F461 P488 I489 I491I451-S455 WeakPolarHBondContact CG2-OG 3.45Å; I451-M456 HydrophobicContact CD1-CE 4.44Å; I451-M456 HydrophobicContact CD1-SD 4.38Å; I451-M456 HydrophobicContact CG2-CB 4.27Å; I451-F461 HydrophobicContact CD1-CD2 3.83Å; I451-F461 HydrophobicContact CD1-CE2 4.13Å; I451-P488 CarbonylContact O-C 3.58Å; I451-P488 VanDerWaalsContact O-CA 3.3Å; I451-P488 WeakPolarHBondContact O-CA 3.48Å; I451-P488 VanDerWaalsContact O-CB 3.3Å; I451-P488 WeakPolarHBondContact O-CB 3.3Å; I451-I489 HydrophobicContact CB-CB 4.4Å; I451-I489 PolarHBondContact N-O 2.67Å; I451-I489 PolarHBondContact O-N 2.83Å; I451-I491 HydrophobicContact CD1-CD1 3.62Å; I451-I491 HydrophobicContact CD1-CG1 4.19Å
452K80.4Confident78.7Confident131 Ų13158.2 Ų58.257%0.5732%0.322SS*.PPolyproline II helixtrans-78.4151.7180-66.6-176.2-179.9-179.40110.9G454 S455K452-G454 PolarHBondContact O-N 3.43Å; K452-S455 PolarHBondContact N-OG 3.42Å; K452-S455 WeakPolarHBondContact O-CB 3.3Å; K452-S455 PolarHBondContact O-N 2.91Å; K452-S455 VanDerWaalsContact O-N 3.17Å; K452-S455 PolarHBondContact O-OG 2.86Å
453E79.9Confident78.3Confident151 Ų15159.9 Ų59.971%0.70632%0.315SS*.THydrogen-bonded Turntrans-55.8135.2172.7-167.3174.6-167.300111S455 Y487E453-S455 VanDerWaalsContact C-N 3.28Å; E453-S455 PolarHBondContact O-N 2.86Å; E453-Y487 HydrophobicContact CB-CD1 3.75Å; E453-Y487 HydrophobicContact CB-CD2 4.24Å; E453-Y487 HydrophobicContact CB-CE1 4.05Å; E453-Y487 HydrophobicContact CB-CG 3.86Å; E453-Y487 HydrophobicContact CG-CD1 4.33Å; E453-Y487 HydrophobicContact CG-CD2 4.06Å; E453-Y487 HydrophobicContact CG-CE1 4.32Å; E453-Y487 HydrophobicContact CG-CE2 4.06Å; E453-Y487 HydrophobicContact CG-CG 4.21Å
454G70.5Confident77.7Confident76 Ų7655.5 Ų55.578%0.78429%0.294SS*.THydrogen-bonded Turntrans76.41.8-179.100000116K452K452-G454 PolarHBondContact O-N 3.43Å
455S65.6Low77.3Confident53 Ų5353.9 Ų53.937%0.37129%0.288SS..SBendtrans-86.2-20177.1660000114.5I451 K452 E453I451-S455 WeakPolarHBondContact CG2-OG 3.45Å; K452-S455 PolarHBondContact N-OG 3.42Å; K452-S455 WeakPolarHBondContact O-CB 3.3Å; K452-S455 PolarHBondContact O-N 2.91Å; K452-S455 VanDerWaalsContact O-N 3.17Å; K452-S455 PolarHBondContact O-OG 2.86Å; E453-S455 VanDerWaalsContact C-N 3.28Å; E453-S455 PolarHBondContact O-N 2.86Å
456M68.7Low76.7Confident28 Ų2857.8 Ų57.814%0.13831%0.305CS..SBendtrans-152.5151178.9-173.9-177.5-75.200108.6F432 I451 E460 F461 E464F432-M456 HydrophobicContact CD1-CE 4.1Å; F432-M456 HydrophobicContact CE1-CE 4.46Å; I451-M456 HydrophobicContact CD1-CE 4.44Å; I451-M456 HydrophobicContact CD1-SD 4.38Å; I451-M456 HydrophobicContact CG2-CB 4.27Å; M456-E460 HydrophobicContact CG-CB 3.77Å; M456-E460 HydrophobicContact SD-CB 4.31Å; M456-F461 HydrophobicContact CG-CB 4.5Å; M456-F461 HydrophobicContact SD-CB 3.75Å; M456-E464 VanDerWaalsContact CE-OE2 3.23Å; M456-E464 WeakPolarHBondContact CE-OE2 3.27Å
457S68.9Low75.8Confident53 Ų5358.5 Ų58.537%0.37131%0.309SS..  trans-76.7151.8171.170.50000111D459 E460 F461S457-D459 VanDerWaalsContact C-N 3.28Å; S457-D459 PolarHBondContact O-N 2.88Å; S457-E460 PolarHBondContact O-N 2.97Å; S457-E460 WeakPolarHBondContact OG-CB 3.29Å; S457-E460 WeakPolarHBondContact OG-CG 3.34Å; S457-E460 PolarHBondContact OG-N 3.07Å; S457-F461 PolarHBondContact O-N 2.85Å
458E66.4Low75.2Confident117 Ų11758.4 Ų58.455%0.54731%0.307SS..Hα-helixtrans-58.2-42.6176.5-68.6179.9-173.600111.2E460 F461 F462E458-E460 VanDerWaalsContact C-N 3.35Å; E458-E460 PolarHBondContact O-N 2.98Å; E458-F461 WeakPolarHBondContact O-CB 3.45Å; E458-F461 PolarHBondContact O-N 3.29Å; E458-F462 HydrophobicContact CB-CD2 4.4Å; E458-F462 HydrophobicContact CB-CE2 4.44Å; E458-F462 WeakPolarHBondContact O-CD2 3.41Å; E458-F462 PolarHBondContact O-N 2.95Å
459D67.2Low74.6Confident122 Ų12261.6 Ų61.665%0.65233%0.327SS*.Hα-helixtrans-59.9-41.1177.7-68.7-28.3000112.9S457 Q463S457-D459 VanDerWaalsContact C-N 3.28Å; S457-D459 PolarHBondContact O-N 2.88Å; D459-Q463 VanDerWaalsContact O-CG 3.32Å; D459-Q463 WeakPolarHBondContact O-CG 3.5Å; D459-Q463 PolarHBondContact O-N 2.89Å; D459-Q463 VanDerWaalsContact O-N 3.08Å
460E67.7Low74.2Confident96 Ų9665.8 Ų65.845%0.44935%0.345SS..Hα-helixtrans-66.2-40.9176.2-77.8173.7-178.700111.4M456 S457 E458 Q463 E464M456-E460 HydrophobicContact CG-CB 3.77Å; M456-E460 HydrophobicContact SD-CB 4.31Å; S457-E460 PolarHBondContact O-N 2.97Å; S457-E460 WeakPolarHBondContact OG-CB 3.29Å; S457-E460 WeakPolarHBondContact OG-CG 3.34Å; S457-E460 PolarHBondContact OG-N 3.07Å; E458-E460 VanDerWaalsContact C-N 3.35Å; E458-E460 PolarHBondContact O-N 2.98Å; E460-Q463 PolarHBondContact O-N 3.47Å; E460-E464 PolarHBondContact O-N 3.19Å
461F71.6Confident74.1Confident4 Ų464.8 Ų64.82%0.01834%0.34CS..Hα-helixtrans-62.9-47.2175.6169.9-98.3000112.2I451 M456 S457 E458 Q463 E464 A465 V482 I489 I491I451-F461 HydrophobicContact CD1-CD2 3.83Å; I451-F461 HydrophobicContact CD1-CE2 4.13Å; M456-F461 HydrophobicContact CG-CB 4.5Å; M456-F461 HydrophobicContact SD-CB 3.75Å; S457-F461 PolarHBondContact O-N 2.85Å; E458-F461 WeakPolarHBondContact O-CB 3.45Å; E458-F461 PolarHBondContact O-N 3.29Å; F461-Q463 VanDerWaalsContact C-N 3.28Å; F461-Q463 PolarHBondContact O-N 3.23Å; F461-E464 PolarHBondContact O-N 3.41Å; F461-A465 WeakPolarHBondContact O-CB 3.39Å; F461-A465 PolarHBondContact O-N 3.45Å; F461-V482 HydrophobicContact CE1-CB 4.5Å; F461-V482 HydrophobicContact CE1-CG1 4.45Å; F461-V482 HydrophobicContact CE1-CG2 4.28Å; F461-V482 HydrophobicContact CE2-CG1 4.22Å; F461-V482 HydrophobicContact CZ-CB 3.72Å; F461-V482 HydrophobicContact CZ-CG1 3.6Å; F461-V482 HydrophobicContact CZ-CG2 3.98Å; F461-I489 HydrophobicContact CD2-CG2 4.04Å; F461-I489 HydrophobicContact CE1-CG2 3.88Å; F461-I489 HydrophobicContact CE2-CG2 3.31Å; F461-I489 HydrophobicContact CZ-CG2 3.2Å; F461-I491 HydrophobicContact CD2-CD1 4.33Å; F461-I491 HydrophobicContact CD2-CG1 4.49Å; F461-I491 HydrophobicContact CE2-CD1 3.96Å; F461-I491 HydrophobicContact CE2-CG1 3.66Å
462F71Confident74.4Confident89 Ų8969.1 Ų69.139%0.3937%0.371SS..Hα-helixtrans-59.8-40.4177-86.6-76.5000111.3W414 E458 Q466W414-F462 AromaticContact CH2-CD1 3.53Å; W414-F462 HydrophobicContact CH2-CD1 3.53Å; W414-F462 AromaticContact CH2-CE1 3.53Å; W414-F462 HydrophobicContact CH2-CE1 3.53Å; W414-F462 HydrophobicContact CZ2-CD1 4.23Å; W414-F462 HydrophobicContact CZ2-CE1 4.22Å; E458-F462 HydrophobicContact CB-CD2 4.4Å; E458-F462 HydrophobicContact CB-CE2 4.44Å; E458-F462 WeakPolarHBondContact O-CD2 3.41Å; E458-F462 PolarHBondContact O-N 2.95Å; F462-Q466 VanDerWaalsContact O-CB 3.23Å; F462-Q466 WeakPolarHBondContact O-CB 3.47Å; F462-Q466 PolarHBondContact O-N 2.99Å
463Q68.6Low74.9Confident93 Ų9364.8 Ų64.844%0.43535%0.352SS..Hα-helixtrans-66.6-38.9175.6-74.7177.19.100113D459 E460 F461 T467D459-Q463 VanDerWaalsContact O-CG 3.32Å; D459-Q463 WeakPolarHBondContact O-CG 3.5Å; D459-Q463 PolarHBondContact O-N 2.89Å; D459-Q463 VanDerWaalsContact O-N 3.08Å; E460-Q463 PolarHBondContact O-N 3.47Å; F461-Q463 VanDerWaalsContact C-N 3.28Å; F461-Q463 PolarHBondContact O-N 3.23Å; Q463-T467 WeakPolarHBondContact O-CB 3.41Å; Q463-T467 PolarHBondContact O-N 2.82Å; Q463-T467 PolarHBondContact O-OG1 3.29Å
464E69.2Low75.4Confident11 Ų1161.9 Ų61.95%0.05135%0.347CS..Hα-helixtrans-63.7-49.7175.2-176178163.700110.5M456 E460 F461 Q466 T467 M468 G560M456-E464 VanDerWaalsContact CE-OE2 3.23Å; M456-E464 WeakPolarHBondContact CE-OE2 3.27Å; E460-E464 PolarHBondContact O-N 3.19Å; F461-E464 PolarHBondContact O-N 3.41Å; E464-Q466 PolarHBondContact O-N 3.08Å; E464-T467 WeakPolarHBondContact O-CB 3.46Å; E464-T467 PolarHBondContact O-N 2.91Å; E464-T467 VanDerWaalsContact O-N 3.16Å; E464-M468 HydrophobicContact CG-CE 3.99Å; E464-M468 HydrophobicContact CG-SD 4.49Å; E464-M468 WeakPolarHBondContact O-CG 3.44Å; E464-M468 PolarHBondContact O-N 2.97Å; E464-G560 WeakPolarHBondContact OE1-CA 3.4Å
465A75.1Confident76.6Confident0 Ų059.5 Ų59.50%032%0.315CS..Hα-helixtrans-59.9-46176.900000111.9W414 F461 T467 M468 T469 V482W414-A465 HydrophobicContact CE3-CB 4.23Å; W414-A465 HydrophobicContact CZ3-CB 3.84Å; F461-A465 WeakPolarHBondContact O-CB 3.39Å; F461-A465 PolarHBondContact O-N 3.45Å; A465-T467 VanDerWaalsContact C-N 3.28Å; A465-T467 PolarHBondContact O-N 2.77Å; A465-M468 PolarHBondContact O-N 2.86Å; A465-T469 WeakPolarHBondContact O-CG2 3.3Å; A465-T469 PolarHBondContact O-N 3.3Å; A465-V482 HydrophobicContact CB-CG1 4.02Å
466Q76.6Confident78Confident114 Ų11457.1 Ų57.153%0.53330%0.298SS..Hα-helixtrans-63.7-34.3177.2-168-177.733.300112.1F462 E464 T469F462-Q466 VanDerWaalsContact O-CB 3.23Å; F462-Q466 WeakPolarHBondContact O-CB 3.47Å; F462-Q466 PolarHBondContact O-N 2.99Å; E464-Q466 PolarHBondContact O-N 3.08Å; Q466-T469 PolarHBondContact O-OG1 3.17Å
467T76.1Confident79.2Confident15 Ų1556 Ų569%0.09229%0.293CS..Hα-helixtrans-64.4-51.6173.2-65.70000110.3Q463 E464 A465 T469 K470 L471 F536 T562Q463-T467 WeakPolarHBondContact O-CB 3.41Å; Q463-T467 PolarHBondContact O-N 2.82Å; Q463-T467 PolarHBondContact O-OG1 3.29Å; E464-T467 WeakPolarHBondContact O-CB 3.46Å; E464-T467 PolarHBondContact O-N 2.91Å; E464-T467 VanDerWaalsContact O-N 3.16Å; A465-T467 VanDerWaalsContact C-N 3.28Å; A465-T467 PolarHBondContact O-N 2.77Å; T467-T469 VanDerWaalsContact C-N 3.29Å; T467-T469 PolarHBondContact O-N 3.45Å; T467-K470 PolarHBondContact O-N 2.9Å; T467-K470 VanDerWaalsContact O-N 3.07Å; T467-L471 HydrophobicContact CG2-CD1 4.31Å; T467-F536 HydrophobicContact CG2-CD1 3.77Å; T467-F536 HydrophobicContact CG2-CE1 3.42Å; T467-F536 VanDerWaalsContact CG2-CE1 3.42Å; T467-F536 HydrophobicContact CG2-CZ 4.38Å; T467-T562 HydrophobicContact CG2-CG2 3.97Å
468M81.8Confident80.2Confident9 Ų955.4 Ų55.44%0.04428%0.284CS..Hα-helixtrans-61.2-32.9-178.3-69.2-175.3-63.600113.5E464 A465 K470 L471 F479 I491 F559E464-M468 HydrophobicContact CG-CE 3.99Å; E464-M468 HydrophobicContact CG-SD 4.49Å; E464-M468 WeakPolarHBondContact O-CG 3.44Å; E464-M468 PolarHBondContact O-N 2.97Å; A465-M468 PolarHBondContact O-N 2.86Å; M468-K470 PolarHBondContact O-N 3.33Å; M468-L471 PolarHBondContact O-N 3.04Å; M468-L471 VanDerWaalsContact O-N 3.12Å; M468-F479 HydrophobicContact CB-CB 3.94Å; M468-F479 HydrophobicContact CB-CD1 4.13Å; M468-F479 HydrophobicContact CB-CD2 3.95Å; M468-F479 HydrophobicContact CB-CE2 4.49Å; M468-F479 HydrophobicContact CB-CG 3.74Å; M468-F479 HydrophobicContact CE-CD2 3.76Å; M468-F479 HydrophobicContact CE-CE2 3.64Å; M468-F479 HydrophobicContact CE-CZ 4.41Å; M468-F479 HydrophobicContact SD-CD2 3.97Å; M468-F479 HydrophobicContact SD-CE2 4.46Å; M468-I491 HydrophobicContact CE-CD1 4.13Å; M468-I491 HydrophobicContact CE-CG2 3.76Å; M468-I491 HydrophobicContact SD-CG2 4.23Å; M468-F559 HydrophobicContact CG-CB 4.03Å; M468-F559 HydrophobicContact CG-CD2 4.24Å
469T81.1Confident81.3Confident67 Ų6751 Ų5141%0.41126%0.263SS..Hα-helixtrans-62.1-23.8175.956.20000114.3W414 A465 Q466 T467 F479W414-T469 HydrophobicContact CB-CG2 4.33Å; W414-T469 HydrophobicContact CG-CG2 4.31Å; A465-T469 WeakPolarHBondContact O-CG2 3.3Å; A465-T469 PolarHBondContact O-N 3.3Å; Q466-T469 PolarHBondContact O-OG1 3.17Å; T467-T469 VanDerWaalsContact C-N 3.29Å; T467-T469 PolarHBondContact O-N 3.45Å; T469-F479 HydrophobicContact CG2-CD1 4.01Å; T469-F479 HydrophobicContact CG2-CE1 3.54Å
470K81.6Confident82.3Confident116 Ų11646.1 Ų46.150%0.50424%0.235SC..THydrogen-bonded Turntrans-88.4-9.4179.1-62.6175.1-178178.10112.8T467 M468 F536T467-K470 PolarHBondContact O-N 2.9Å; T467-K470 VanDerWaalsContact O-N 3.07Å; M468-K470 PolarHBondContact O-N 3.33Å; K470-F536 HydrophobicContact CB-CE2 4.49Å; K470-F536 HydrophobicContact CB-CZ 4.13Å; K470-F536 HydrophobicContact CD-CZ 4.15Å
471L85.4Confident83.4Confident12 Ų1241.5 Ų41.56%0.06321%0.214CC..  trans-98.7103.6-174.2-57.6-178.7000109.8T467 M468 L476 F530 L531 F536 F559T467-L471 HydrophobicContact CG2-CD1 4.31Å; M468-L471 PolarHBondContact O-N 3.04Å; M468-L471 VanDerWaalsContact O-N 3.12Å; L471-L476 HydrophobicContact CB-CD1 4.26Å; L471-F530 HydrophobicContact CD2-CE1 4.17Å; L471-L531 HydrophobicContact CD1-CD2 4.04Å; L471-L531 HydrophobicContact CD2-CD2 3.59Å; L471-L531 HydrophobicContact CG-CD2 4.39Å; L471-F536 HydrophobicContact CD2-CD1 4.42Å; L471-F536 HydrophobicContact CD2-CD2 3.57Å; L471-F536 HydrophobicContact CD2-CE1 4.46Å; L471-F536 HydrophobicContact CD2-CE2 3.63Å; L471-F536 HydrophobicContact CD2-CG 3.98Å; L471-F536 HydrophobicContact CD2-CZ 4.08Å; L471-F559 HydrophobicContact CD1-CB 4.48Å; L471-F559 HydrophobicContact CD1-CD1 3.92Å; L471-F559 HydrophobicContact CD1-CD2 4.3Å; L471-F559 HydrophobicContact CD1-CE1 4.22Å; L471-F559 HydrophobicContact CD1-CG 3.97Å
472S88.4Confident84.3Confident95 Ų9541.3 Ų41.366%0.66421%0.213SC*.  trans-133.2104.7176.2-174.70000109.9
473H90.9Very high85.2Confident39 Ų3937.2 Ų37.218%0.18120%0.195CC..  trans-155.7143.4-179.2-175.5-93.1000110.3K475 L476 F530H473-K475 PolarHBondContact ND1-N 3.01Å; H473-K475 VanDerWaalsContact ND1-N 3.12Å; H473-K475 PolarHBondContact O-N 3.41Å; H473-K475 VanDerWaalsContact O-N 3.13Å; H473-L476 HydrophobicContact CB-CB 4.23Å; H473-L476 HydrophobicContact CB-CD1 3.93Å; H473-L476 HydrophobicContact CB-CG 3.86Å; H473-L476 PolarHBondContact O-N 3.28Å; H473-F530 HydrophobicContact CB-CB 4.36Å; H473-F530 HydrophobicContact CB-CD1 3.93Å; H473-F530 HydrophobicContact CB-CD2 4Å; H473-F530 HydrophobicContact CB-CE1 4.21Å; H473-F530 HydrophobicContact CB-CE2 4.27Å; H473-F530 HydrophobicContact CB-CG 3.81Å; H473-F530 HydrophobicContact CB-CZ 4.37Å; H473-F530 AromaticContact CD2-CD2 3.56Å; H473-F530 AromaticContact CD2-CG 3.73Å; H473-F530 AromaticContact CG-CG 3.82Å
474P90.6Very high86.1Confident90 Ų9034.5 Ų34.558%0.58419%0.186SC*.THydrogen-bonded Turntrans-57.2-30.1-177-27.635.8000115K555P474-K555 WeakPolarHBondContact O-CE 3.23Å; P474-K555 PolarHBondContact O-NZ 3.17Å
475K96.3Very high86.9Confident27 Ų2742.4 Ų42.412%0.11722%0.22CC..THydrogen-bonded Turntrans-95.710179.1-52-60.5178.7170.20114.7H473 D523 E526 C553 K555 V556H473-K475 PolarHBondContact ND1-N 3.01Å; H473-K475 VanDerWaalsContact ND1-N 3.12Å; H473-K475 PolarHBondContact O-N 3.41Å; H473-K475 VanDerWaalsContact O-N 3.13Å; K475-D523 VanDerWaalsContact CB-O 3.31Å; K475-D523 WeakPolarHBondContact CB-O 3.41Å; K475-D523 HydrophobicContact CD-CB 4.02Å; K475-D523 VanDerWaalsContact CE-OD1 3.25Å; K475-D523 WeakPolarHBondContact CE-OD1 3.46Å; K475-D523 WeakPolarHBondContact CG-O 3.46Å; K475-D523 IonicContact NZ-OD1 2.7Å; K475-D523 PolarHBondContact NZ-OD1 3.22Å; K475-D523 IonicContact NZ-OD2 3.62Å; K475-D523 PolarHBondContact NZ-OD2 3.17Å; K475-E526 WeakPolarHBondContact CE-OE2 3.21Å; K475-E526 HydrophobicContact CG-CB 4.15Å; K475-E526 HydrophobicContact CG-CG 4.35Å; K475-E526 WeakPolarHBondContact CG-OE2 3.23Å; K475-C553 PolarHBondContact NZ-SG 3.05Å; K475-K555 CarbonylContact O-C 3.45Å; K475-K555 VanDerWaalsContact O-CA 3.29Å; K475-K555 WeakPolarHBondContact O-CA 3.44Å; K475-V556 PolarHBondContact O-N 3.15Å
476L95.1Very high87.5Confident3 Ų347.4 Ų47.42%0.01624%0.244CC..BIsolated β-bridgetrans-113142.5171.2-62-174.1000108.9L471 H473 K478 F530 L531 V556 F559L471-L476 HydrophobicContact CB-CD1 4.26Å; H473-L476 HydrophobicContact CB-CB 4.23Å; H473-L476 HydrophobicContact CB-CD1 3.93Å; H473-L476 HydrophobicContact CB-CG 3.86Å; H473-L476 PolarHBondContact O-N 3.28Å; L476-K478 PolarHBondContact O-N 2.88Å; L476-K478 VanDerWaalsContact O-N 3.16Å; L476-F530 HydrophobicContact CD1-CD1 3.56Å; L476-F530 HydrophobicContact CD1-CE1 3.91Å; L476-L531 HydrophobicContact CD1-CD2 3.69Å; L476-L531 HydrophobicContact CD1-CG 4.22Å; L476-L531 HydrophobicContact CD2-CD1 4.45Å; L476-L531 HydrophobicContact CD2-CG 4.36Å; L476-V556 HydrophobicContact CD2-CB 3.72Å; L476-V556 HydrophobicContact CD2-CG1 4.44Å; L476-V556 HydrophobicContact CD2-CG2 4.26Å; L476-F559 HydrophobicContact CB-CZ 3.97Å; L476-F559 HydrophobicContact CD1-CZ 4.41Å; L476-F559 HydrophobicContact CD2-CE1 4.11Å; L476-F559 HydrophobicContact CD2-CZ 3.96Å; L476-F559 HydrophobicContact CG-CZ 4.32Å
477V93.1Very high87.8Confident5 Ų545.8 Ų45.83%0.0323%0.234CC..PPolyproline II helixtrans-64.1117.2175.3170.30000109.3F479 T493 E494 I496 L547 K555 V556V477-F479 PolarHBondContact O-N 3.37Å; V477-T493 HydrophobicContact CG1-CG2 4.39Å; V477-E494 VanDerWaalsContact CA-OE1 3.3Å; V477-E494 WeakPolarHBondContact CA-OE1 3.36Å; V477-E494 HydrophobicContact CB-CG 4.49Å; V477-E494 HydrophobicContact CG1-CG 3.81Å; V477-I496 HydrophobicContact CG2-CG1 4.4Å; V477-L547 HydrophobicContact CG2-CD1 3.86Å; V477-L547 HydrophobicContact CG2-CG 4.36Å; V477-K555 HydrophobicContact CG2-CB 3.88Å; V477-V556 WeakPolarHBondContact CG2-O 3.35Å; V477-V556 PolarHBondContact N-O 3.25Å
478K90.3Very high88.4Confident40 Ų4047.2 Ų47.217%0.17424%0.243CC..PPolyproline II helixtrans-64.9127.6-177.7-169.6168.4-178.6-173.30111.2D405 S408 L476 Y480 T493 E494D405-K478 IonicContact OD1-NZ 2.74Å; D405-K478 PolarHBondContact OD1-NZ 3.03Å; S408-K478 PolarHBondContact OG-NZ 2.82Å; L476-K478 PolarHBondContact O-N 2.88Å; L476-K478 VanDerWaalsContact O-N 3.16Å; K478-Y480 HydrophobicContact CB-CE1 4.35Å; K478-Y480 HydrophobicContact CD-CD1 4.49Å; K478-Y480 HydrophobicContact CD-CE1 3.77Å; K478-Y480 HydrophobicContact CG-CD1 4.23Å; K478-Y480 HydrophobicContact CG-CE1 3.83Å; K478-T493 CarbonylContact O-C 3.57Å; K478-T493 VanDerWaalsContact O-CA 3.27Å; K478-T493 WeakPolarHBondContact O-CA 3.01Å; K478-T493 WeakPolarHBondContact O-CB 3.4Å; K478-E494 HydrophobicContact CB-CB 4.21Å; K478-E494 HydrophobicContact CB-CG 4.06Å; K478-E494 PolarHBondContact N-OE1 2.81Å; K478-E494 PolarHBondContact O-N 3.1Å
479F89.7Confident88.7Confident25 Ų2547.2 Ų47.211%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-87.1135171.8173.1-102.4000110.4W414 M468 T469 V477 G481 V482 I491 T493W414-F479 HydrophobicContact CB-CE1 4.48Å; M468-F479 HydrophobicContact CB-CB 3.94Å; M468-F479 HydrophobicContact CB-CD1 4.13Å; M468-F479 HydrophobicContact CB-CD2 3.95Å; M468-F479 HydrophobicContact CB-CE2 4.49Å; M468-F479 HydrophobicContact CB-CG 3.74Å; M468-F479 HydrophobicContact CE-CD2 3.76Å; M468-F479 HydrophobicContact CE-CE2 3.64Å; M468-F479 HydrophobicContact CE-CZ 4.41Å; M468-F479 HydrophobicContact SD-CD2 3.97Å; M468-F479 HydrophobicContact SD-CE2 4.46Å; T469-F479 HydrophobicContact CG2-CD1 4.01Å; T469-F479 HydrophobicContact CG2-CE1 3.54Å; V477-F479 PolarHBondContact O-N 3.37Å; F479-G481 WeakPolarHBondContact CE2-O 3.44Å; F479-G481 VanDerWaalsContact CZ-C 3.43Å; F479-V482 HydrophobicContact CE2-CG1 3.92Å; F479-V482 HydrophobicContact CZ-CG1 3.75Å; F479-I491 HydrophobicContact CD2-CG2 4.19Å; F479-I491 HydrophobicContact CE2-CG2 4.01Å; F479-T493 HydrophobicContact CD2-CG2 4.36Å
480Y88.8Confident89.2Confident18 Ų1844.8 Ų44.87%0.07123%0.227CC..EExtended strand (participates in β ladder)trans-107.3-33.8178.7-63.2-39.8000113.2V403 V446 K478 V492 E494V403-Y480 HydrophobicContact CB-CD1 4.35Å; V403-Y480 HydrophobicContact CB-CE1 3.65Å; V403-Y480 HydrophobicContact CB-CE2 4.04Å; V403-Y480 VanDerWaalsContact CB-CZ 3.48Å; V403-Y480 WeakPolarHBondContact CB-OH 3.38Å; V403-Y480 HydrophobicContact CG1-CD1 4.31Å; V403-Y480 HydrophobicContact CG1-CE1 4Å; V403-Y480 HydrophobicContact CG2-CD1 4.44Å; V403-Y480 HydrophobicContact CG2-CD2 3.98Å; V403-Y480 HydrophobicContact CG2-CE1 3.96Å; V403-Y480 HydrophobicContact CG2-CE2 3.42Å; V403-Y480 VanDerWaalsContact CG2-CE2 3.42Å; V403-Y480 HydrophobicContact CG2-CG 4.46Å; V403-Y480 VanDerWaalsContact CG2-CZ 3.43Å; V446-Y480 HydrophobicContact CG1-CD2 3.86Å; V446-Y480 HydrophobicContact CG1-CE2 3.92Å; K478-Y480 HydrophobicContact CB-CE1 4.35Å; K478-Y480 HydrophobicContact CD-CD1 4.49Å; K478-Y480 HydrophobicContact CD-CE1 3.77Å; K478-Y480 HydrophobicContact CG-CD1 4.23Å; K478-Y480 HydrophobicContact CG-CE1 3.83Å; Y480-V492 HydrophobicContact CD2-CG1 4.36Å; Y480-V492 PolarHBondContact N-O 2.78Å; Y480-E494 VanDerWaalsContact CE2-CA 3.46Å; Y480-E494 HydrophobicContact CE2-CB 4.02Å; Y480-E494 WeakPolarHBondContact OH-CB 3.44Å
481G89.6Confident89.5Confident0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans158.7-171.2-178.500000112.7W414 F479 V492W414-G481 CarbonylContact O-C 3.6Å; W414-G481 WeakPolarHBondContact O-CA 3.33Å; F479-G481 WeakPolarHBondContact CE2-O 3.44Å; F479-G481 VanDerWaalsContact CZ-C 3.43Å; G481-V492 PolarHBondContact N-O 2.65Å; G481-V492 WeakPolarHBondContact O-CB 3.14Å; G481-V492 PolarHBondContact O-N 2.88Å
482V90.3Very high89.8Confident0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-129.2163176.6-51.60000112.1W414 E415 L416 F461 A465 F479 Y490 I491W414-V482 HydrophobicContact CE3-CB 4.48Å; W414-V482 HydrophobicContact CE3-CG1 4.2Å; W414-V482 HydrophobicContact CE3-CG2 3.55Å; W414-V482 HydrophobicContact CZ3-CG1 4.29Å; W414-V482 HydrophobicContact CZ3-CG2 3.47Å; W414-V482 VanDerWaalsContact CZ3-CG2 3.47Å; W414-V482 PolarHBondContact O-N 3.39Å; E415-V482 CarbonylContact C-O 3.49Å; E415-V482 WeakPolarHBondContact CA-O 3.42Å; E415-V482 VanDerWaalsContact OE2-CG2 3.3Å; E415-V482 WeakPolarHBondContact OE2-CG2 3.46Å; L416-V482 PolarHBondContact N-O 2.99Å; F461-V482 HydrophobicContact CE1-CB 4.5Å; F461-V482 HydrophobicContact CE1-CG1 4.45Å; F461-V482 HydrophobicContact CE1-CG2 4.28Å; F461-V482 HydrophobicContact CE2-CG1 4.22Å; F461-V482 HydrophobicContact CZ-CB 3.72Å; F461-V482 HydrophobicContact CZ-CG1 3.6Å; F461-V482 HydrophobicContact CZ-CG2 3.98Å; A465-V482 HydrophobicContact CB-CG1 4.02Å; F479-V482 HydrophobicContact CE2-CG1 3.92Å; F479-V482 HydrophobicContact CZ-CG1 3.75Å; V482-Y490 CarbonylContact C-O 3.52Å; V482-Y490 WeakPolarHBondContact CA-O 3.41Å; V482-Y490 WeakPolarHBondContact CB-O 3.22Å; V482-I491 HydrophobicContact CG1-CG1 4.41Å
483C90.6Very high90Very high3 Ų335.6 Ų35.62%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-118.8102.8158.8-560000107.5L416 R418 I489 Y490L416-C483 PolarHBondContact O-SG 3.23Å; R418-C483 HydrophobicContact CB-CB 4.43Å; C483-I489 WeakPolarHBondContact O-CA 3.25Å; C483-I489 WeakPolarHBondContact O-CG2 3.48Å; C483-Y490 HydrophobicContact CB-CD2 4.13Å; C483-Y490 HydrophobicContact CB-CG 4.31Å; C483-Y490 PolarHBondContact N-O 2.76Å; C483-Y490 PolarHBondContact O-N 2.91Å
484S87.7Confident90Very high35 Ų3534.2 Ų34.225%0.24517%0.17CC..  trans-109.3-6.2-173.577.90000114.3E415 E486E415-S484 PolarHBondContact OE1-N 3.4Å; E415-S484 PolarHBondContact OE2-N 3.34Å; E415-S484 PolarHBondContact OE2-OG 3.39Å; E415-S484 VanDerWaalsContact OE2-OG 3.14Å; S484-E486 VanDerWaalsContact C-N 3.29Å; S484-E486 PolarHBondContact O-N 3.27Å
485K86.6Confident90.2Very high177 Ų17733.1 Ų33.177%0.7716%0.155SC*.SBendtrans-64.9-26-177.4-71.1178.8-175.7-179.20115.2E415E415-K485 PolarHBondContact OE1-N 3.17Å
486E87.1Confident90Very high105 Ų10532.3 Ų32.349%0.49115%0.151SC..SBendtrans-150.5146.7-177.735.1158.7-119.200111.9R418 S484 P488R418-E486 WeakPolarHBondContact CD-OE1 3.43Å; R418-E486 IonicContact CZ-OE1 2.71Å; R418-E486 VanDerWaalsContact CZ-OE1 3.3Å; R418-E486 IonicContact NE-OE1 3.17Å; R418-E486 PolarHBondContact NE-OE1 3.17Å; R418-E486 VanDerWaalsContact NH1-CG 3.27Å; R418-E486 PolarHBondContact NH1-O 3.18Å; R418-E486 IonicContact NH1-OE1 3.06Å; R418-E486 PolarHBondContact NH1-OE1 2.84Å; S484-E486 VanDerWaalsContact C-N 3.29Å; S484-E486 PolarHBondContact O-N 3.27Å; E486-P488 CarbonylContact O-C 3.56Å
487Y83.5Confident89.7Confident81 Ų8134.7 Ų34.732%0.31817%0.168SC..SBendtrans-77.7147.9177.1-78.5-80.7000112.6E453 I489E453-Y487 HydrophobicContact CB-CD1 3.75Å; E453-Y487 HydrophobicContact CB-CD2 4.24Å; E453-Y487 HydrophobicContact CB-CE1 4.05Å; E453-Y487 HydrophobicContact CB-CG 3.86Å; E453-Y487 HydrophobicContact CG-CD1 4.33Å; E453-Y487 HydrophobicContact CG-CD2 4.06Å; E453-Y487 HydrophobicContact CG-CE1 4.32Å; E453-Y487 HydrophobicContact CG-CE2 4.06Å; E453-Y487 HydrophobicContact CG-CG 4.21Å; Y487-I489 HydrophobicContact CD1-CD1 4.26Å; Y487-I489 HydrophobicContact CD1-CG1 3.89Å; Y487-I489 HydrophobicContact CE1-CD1 3.58Å; Y487-I489 HydrophobicContact CE1-CG1 3.73Å; Y487-I489 HydrophobicContact CG-CG1 4.49Å
488P87.9Confident89.5Confident45 Ų4537.6 Ų37.629%0.29218%0.184SC..SBendcis-68.3141.6-7.327.2-33.6000111.9R418 M450 I451 E486 Y490R418-P488 PolarHBondContact NH1-O 3.16Å; R418-P488 PolarHBondContact NH2-O 2.95Å; M450-P488 HydrophobicContact CB-CB 4.35Å; I451-P488 CarbonylContact O-C 3.58Å; I451-P488 VanDerWaalsContact O-CA 3.3Å; I451-P488 WeakPolarHBondContact O-CA 3.48Å; I451-P488 VanDerWaalsContact O-CB 3.3Å; I451-P488 WeakPolarHBondContact O-CB 3.3Å; E486-P488 CarbonylContact O-C 3.56Å; P488-Y490 HydrophobicContact CG-CE1 4.01Å
489I87.9Confident89.6Confident8 Ų837.2 Ų37.24%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-71.7142.1178.4-66.8174.5000109.2M450 I451 F461 C483 Y487M450-I489 CarbonylContact C-O 3.5Å; M450-I489 WeakPolarHBondContact CA-O 3.47Å; I451-I489 HydrophobicContact CB-CB 4.4Å; I451-I489 PolarHBondContact N-O 2.67Å; I451-I489 PolarHBondContact O-N 2.83Å; F461-I489 HydrophobicContact CD2-CG2 4.04Å; F461-I489 HydrophobicContact CE1-CG2 3.88Å; F461-I489 HydrophobicContact CE2-CG2 3.31Å; F461-I489 HydrophobicContact CZ-CG2 3.2Å; C483-I489 WeakPolarHBondContact O-CA 3.25Å; C483-I489 WeakPolarHBondContact O-CG2 3.48Å; Y487-I489 HydrophobicContact CD1-CD1 4.26Å; Y487-I489 HydrophobicContact CD1-CG1 3.89Å; Y487-I489 HydrophobicContact CE1-CD1 3.58Å; Y487-I489 HydrophobicContact CE1-CG1 3.73Å; Y487-I489 HydrophobicContact CG-CG1 4.49Å
490Y90.8Very high89.9Confident17 Ų1737.2 Ų37.27%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-107.8134.7177.9-63.9-15000112.1R418 I421 L423 V448 K449 M450 V482 C483 P488R418-Y490 HydrophobicContact CG-CD2 4.29Å; R418-Y490 HydrophobicContact CG-CE2 3.84Å; R418-Y490 PolarHBondContact NE-OH 2.82Å; R418-Y490 PolarHBondContact NH2-OH 2.91Å; I421-Y490 HydrophobicContact CD1-CD2 4.45Å; L423-Y490 WeakPolarHBondContact CD1-OH 3.36Å; V448-Y490 HydrophobicContact CG1-CD1 3.88Å; V448-Y490 HydrophobicContact CG1-CD2 3.84Å; V448-Y490 HydrophobicContact CG1-CE1 4.43Å; V448-Y490 HydrophobicContact CG1-CE2 4.39Å; V448-Y490 HydrophobicContact CG1-CG 3.56Å; K449-Y490 WeakPolarHBondContact O-CA 3.36Å; M450-Y490 HydrophobicContact CB-CD1 4.22Å; M450-Y490 HydrophobicContact CB-CE1 4.18Å; M450-Y490 HydrophobicContact CG-CD1 3.87Å; M450-Y490 HydrophobicContact CG-CE1 3.64Å; M450-Y490 HydrophobicContact SD-CE1 3.78Å; V482-Y490 CarbonylContact C-O 3.52Å; V482-Y490 WeakPolarHBondContact CA-O 3.41Å; V482-Y490 WeakPolarHBondContact CB-O 3.22Å; C483-Y490 HydrophobicContact CB-CD2 4.13Å; C483-Y490 HydrophobicContact CB-CG 4.31Å; C483-Y490 PolarHBondContact N-O 2.76Å; C483-Y490 PolarHBondContact O-N 2.91Å; P488-Y490 HydrophobicContact CG-CE1 4.01Å
491I89.3Confident90.4Very high4 Ų436.3 Ų36.32%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-106.6124.6160.5-63.3174.1000107.1V448 K449 I451 F461 M468 F479 V482 T493V448-I491 WeakPolarHBondContact CA-O 3.49Å; K449-I491 HydrophobicContact CB-CB 4.26Å; K449-I491 PolarHBondContact N-O 2.76Å; K449-I491 PolarHBondContact O-N 3.26Å; I451-I491 HydrophobicContact CD1-CD1 3.62Å; I451-I491 HydrophobicContact CD1-CG1 4.19Å; F461-I491 HydrophobicContact CD2-CD1 4.33Å; F461-I491 HydrophobicContact CD2-CG1 4.49Å; F461-I491 HydrophobicContact CE2-CD1 3.96Å; F461-I491 HydrophobicContact CE2-CG1 3.66Å; M468-I491 HydrophobicContact CE-CD1 4.13Å; M468-I491 HydrophobicContact CE-CG2 3.76Å; M468-I491 HydrophobicContact SD-CG2 4.23Å; F479-I491 HydrophobicContact CD2-CG2 4.19Å; F479-I491 HydrophobicContact CE2-CG2 4.01Å; V482-I491 HydrophobicContact CG1-CG1 4.41Å; I491-T493 HydrophobicContact CG2-CG2 4.19Å
492V92Very high90.8Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-113.1122.6-172.9-169.70000109.3L416 I421 V446 A447 Y480 G481L416-V492 HydrophobicContact CD1-CB 3.71Å; L416-V492 HydrophobicContact CD1-CG1 4.03Å; L416-V492 HydrophobicContact CD1-CG2 3.72Å; I421-V492 HydrophobicContact CD1-CG1 4.35Å; I421-V492 HydrophobicContact CD1-CG2 3.44Å; I421-V492 VanDerWaalsContact CD1-CG2 3.44Å; V446-V492 HydrophobicContact CB-CG1 3.77Å; V446-V492 HydrophobicContact CG1-CG1 4.01Å; V446-V492 HydrophobicContact CG2-CG1 3.99Å; A447-V492 WeakPolarHBondContact O-CA 3.29Å; Y480-V492 HydrophobicContact CD2-CG1 4.36Å; Y480-V492 PolarHBondContact N-O 2.78Å; G481-V492 PolarHBondContact N-O 2.65Å; G481-V492 WeakPolarHBondContact O-CB 3.14Å; G481-V492 PolarHBondContact O-N 2.88Å
493T92.5Very high91Very high25 Ų2541.7 Ų41.715%0.15322%0.219CC..EExtended strand (participates in β ladder)trans-133.4169.2-175.1540000110.9V446 A447 V477 K478 F479 I491V446-T493 WeakPolarHBondContact CA-O 3.41Å; A447-T493 PolarHBondContact N-O 3.41Å; A447-T493 PolarHBondContact O-N 3.42Å; A447-T493 PolarHBondContact O-OG1 3.07Å; V477-T493 HydrophobicContact CG1-CG2 4.39Å; K478-T493 CarbonylContact O-C 3.57Å; K478-T493 VanDerWaalsContact O-CA 3.27Å; K478-T493 WeakPolarHBondContact O-CA 3.01Å; K478-T493 WeakPolarHBondContact O-CB 3.4Å; F479-T493 HydrophobicContact CD2-CG2 4.36Å; I491-T493 HydrophobicContact CG2-CG2 4.19Å
494E90.9Very high91.4Very high10 Ų1042.8 Ų42.85%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-58.9138172.169.3176.1138.500111.6V477 K478 Y480 I496 K555V477-E494 VanDerWaalsContact CA-OE1 3.3Å; V477-E494 WeakPolarHBondContact CA-OE1 3.36Å; V477-E494 HydrophobicContact CB-CG 4.49Å; V477-E494 HydrophobicContact CG1-CG 3.81Å; K478-E494 HydrophobicContact CB-CB 4.21Å; K478-E494 HydrophobicContact CB-CG 4.06Å; K478-E494 PolarHBondContact N-OE1 2.81Å; K478-E494 PolarHBondContact O-N 3.1Å; Y480-E494 VanDerWaalsContact CE2-CA 3.46Å; Y480-E494 HydrophobicContact CE2-CB 4.02Å; Y480-E494 WeakPolarHBondContact OH-CB 3.44Å; E494-I496 HydrophobicContact CG-CD1 3.86Å; E494-I496 HydrophobicContact CG-CG1 4.22Å; E494-K555 VanDerWaalsContact OE1-CD 3.3Å; E494-K555 WeakPolarHBondContact OE1-CD 3.41Å; E494-K555 IonicContact OE1-NZ 3.49Å; E494-K555 PolarHBondContact OE1-NZ 3.43Å; E494-K555 IonicContact OE2-NZ 3.55Å; E494-K555 PolarHBondContact OE2-NZ 3Å
495Y93.3Very high91.9Very high68 Ų6841.1 Ų41.127%0.26721%0.211SC..  trans-82.3128.1172.4172.8-111.7000110.7L427 L437 D445L427-Y495 HydrophobicContact CD1-CD2 3.93Å; L427-Y495 HydrophobicContact CD1-CE2 3.79Å; L427-Y495 HydrophobicContact CD2-CE2 4.02Å; L437-Y495 HydrophobicContact CD1-CD1 3.94Å; L437-Y495 HydrophobicContact CD1-CD2 3.62Å; L437-Y495 HydrophobicContact CD1-CE1 4.14Å; L437-Y495 HydrophobicContact CD1-CE2 3.84Å; L437-Y495 HydrophobicContact CD1-CG 3.66Å; D445-Y495 HydrophobicContact CB-CD1 3.97Å; D445-Y495 HydrophobicContact CB-CG 4.36Å
496I92.1Very high92.4Very high9 Ų939.2 Ų39.25%0.04620%0.199CC..  trans-113.7120178.8-57.2-60.9000109.7V477 E494 G499 L547 V548 D549 K555V477-I496 HydrophobicContact CG2-CG1 4.4Å; E494-I496 HydrophobicContact CG-CD1 3.86Å; E494-I496 HydrophobicContact CG-CG1 4.22Å; I496-G499 PolarHBondContact O-N 3.21Å; I496-L547 HydrophobicContact CB-CB 3.77Å; I496-L547 HydrophobicContact CB-CD1 3.9Å; I496-L547 HydrophobicContact CB-CG 4.47Å; I496-L547 HydrophobicContact CG1-CB 4.02Å; I496-L547 HydrophobicContact CG1-CD1 3.85Å; I496-L547 HydrophobicContact CG2-CB 3.53Å; I496-V548 WeakPolarHBondContact CG2-O 3.21Å; I496-D549 HydrophobicContact CG2-CB 4.07Å; I496-K555 HydrophobicContact CD1-CD 4.02Å
497S88.8Confident92.8Very high54 Ų5438.3 Ų38.338%0.37821%0.205SC..THydrogen-bonded Turntrans-73.2-32.4-158.552.30000115.9G499 S550S497-G499 VanDerWaalsContact C-N 3.34Å; S497-S550 PolarHBondContact OG-N 3.03Å
498N90.3Very high93.3Very high65 Ų6539.4 Ų39.435%0.34821%0.212SC..THydrogen-bonded Turntrans-937.9-177.7-64.8-42.1000113.4Y504 V548 D549N498-Y504 HydrophobicContact CB-CD2 3.75Å; N498-Y504 HydrophobicContact CB-CE2 3.89Å; N498-V548 WeakPolarHBondContact CA-O 3.35Å; N498-V548 HydrophobicContact CB-CB 4.11Å; N498-V548 HydrophobicContact CB-CG1 4.38Å; N498-V548 WeakPolarHBondContact CB-O 3.4Å; N498-V548 PolarHBondContact N-O 2.84Å; N498-D549 PolarHBondContact ND2-O 2.94Å
499G92.8Very high93.4Very high32 Ų3237.3 Ų37.333%0.3320%0.199SC..  trans68.7-155.3176.500000112.9I496 S497 L547 V548I496-G499 PolarHBondContact O-N 3.21Å; S497-G499 VanDerWaalsContact C-N 3.34Å; G499-L547 CarbonylContact O-C 3.56Å; G499-L547 VanDerWaalsContact O-CA 3.29Å; G499-L547 WeakPolarHBondContact O-CA 3.18Å; G499-V548 PolarHBondContact O-N 3.01Å
500C95.6Very high93.7Very high25 Ų2546.6 Ų46.617%0.16924%0.239CC..BIsolated β-bridgetrans-77.3144.9-175.372.10000113.5L502 N503 Y504 R544 C546 L547C500-L502 VanDerWaalsContact C-N 3.28Å; C500-L502 PolarHBondContact O-N 3.08Å; C500-N503 PolarHBondContact O-N 3.46Å; C500-N503 VanDerWaalsContact O-N 3.13Å; C500-N503 VanDerWaalsContact SG-CG 3.6Å; C500-N503 PolarHBondContact SG-ND2 3.23Å; C500-Y504 PolarHBondContact O-N 3.24Å; C500-R544 WeakPolarHBondContact CB-O 2.84Å; C500-C546 CarbonylContact C-O 3.54Å; C500-C546 WeakPolarHBondContact CA-O 3.1Å; C500-L547 HydrophobicContact CB-CD2 4.01Å
501L98.2Very high93.6Very high0 Ų048.8 Ų48.80%027%0.267CS..Hα-helixtrans-56.9-39.3-177175.165.3000112N503 Y504 L505 M520 A543 C546 V548 V554 V609L501-N503 PolarHBondContact O-N 3.3Å; L501-Y504 WeakPolarHBondContact O-CB 3.49Å; L501-Y504 PolarHBondContact O-N 3.32Å; L501-L505 HydrophobicContact CD1-CD1 4.04Å; L501-L505 HydrophobicContact CD1-CD2 4.32Å; L501-L505 HydrophobicContact CD1-CG 3.89Å; L501-L505 HydrophobicContact CG-CD1 3.85Å; L501-L505 HydrophobicContact CG-CG 4.21Å; L501-L505 WeakPolarHBondContact O-CB 3.43Å; L501-L505 VanDerWaalsContact O-CG 3.24Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 3.17Å; L501-M520 HydrophobicContact CD1-SD 3.69Å; L501-A543 WeakPolarHBondContact CB-O 3.2Å; L501-A543 HydrophobicContact CD2-CB 4.25Å; L501-A543 HydrophobicContact CG-CB 4.31Å; L501-A543 PolarHBondContact N-O 2.84Å; L501-C546 HydrophobicContact CB-CB 3.98Å; L501-C546 HydrophobicContact CD2-CB 4.08Å; L501-C546 PolarHBondContact N-O 2.94Å; L501-V548 HydrophobicContact CB-CG2 3.89Å; L501-V548 HydrophobicContact CD1-CG2 3.71Å; L501-V548 HydrophobicContact CG-CG2 4.43Å; L501-V554 HydrophobicContact CD1-CG2 4.27Å; L501-V554 HydrophobicContact CD2-CG1 4.13Å; L501-V609 HydrophobicContact CD2-CG2 3.95Å
502L97.9Very high93.7Very high23 Ų2349.4 Ų49.412%0.1227%0.27CS..Hα-helixtrans-56.4-48.7176.5178.662.1000112.6C500 Y504 R506 A543 R544 G613C500-L502 VanDerWaalsContact C-N 3.28Å; C500-L502 PolarHBondContact O-N 3.08Å; L502-Y504 VanDerWaalsContact C-N 3.34Å; L502-R506 WeakPolarHBondContact O-CG 3.31Å; L502-R506 PolarHBondContact O-N 2.67Å; L502-A543 HydrophobicContact CB-CB 4.08Å; L502-A543 PolarHBondContact N-O 2.94Å; L502-R544 HydrophobicContact CB-CB 4.44Å; L502-R544 HydrophobicContact CD2-CB 4.12Å; L502-G613 WeakPolarHBondContact CD1-O 3.46Å
503N96.3Very high93.5Very high90 Ų9055.2 Ų55.248%0.48130%0.297SS..Hα-helixtrans-71.9-34.7179.9-72.5-14.5000111.1C500 L501 R506 S507C500-N503 PolarHBondContact O-N 3.46Å; C500-N503 VanDerWaalsContact O-N 3.13Å; C500-N503 VanDerWaalsContact SG-CG 3.6Å; C500-N503 PolarHBondContact SG-ND2 3.23Å; L501-N503 PolarHBondContact O-N 3.3Å; N503-R506 PolarHBondContact O-N 3.3Å; N503-S507 WeakPolarHBondContact O-CB 3.39Å; N503-S507 PolarHBondContact O-N 2.89Å; N503-S507 VanDerWaalsContact O-N 3.1Å; N503-S507 PolarHBondContact O-OG 3.08Å
504Y97.3Very high93.5Very high25 Ų2556.5 Ų56.510%0.09831%0.306CS..Hα-helixtrans-60.5-50.6175-169.4-92.3000111.7N498 C500 L501 L502 R506 S507 H508 L512 M520 V548 L552N498-Y504 HydrophobicContact CB-CD2 3.75Å; N498-Y504 HydrophobicContact CB-CE2 3.89Å; C500-Y504 PolarHBondContact O-N 3.24Å; L501-Y504 WeakPolarHBondContact O-CB 3.49Å; L501-Y504 PolarHBondContact O-N 3.32Å; L502-Y504 VanDerWaalsContact C-N 3.34Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 3.34Å; Y504-S507 PolarHBondContact O-N 2.85Å; Y504-H508 HydrophobicContact CD1-CB 4.46Å; Y504-H508 AromaticContact CD2-ND1 3.54Å; Y504-H508 HydrophobicContact CE1-CB 4.01Å; Y504-H508 HydrophobicContact CE2-CB 4.32Å; Y504-H508 AromaticContact CE2-ND1 3.53Å; Y504-H508 PolarHBondContact O-N 3.28Å; Y504-L512 HydrophobicContact CE1-CD1 4.16Å; Y504-M520 HydrophobicContact CD1-CE 4.27Å; Y504-M520 HydrophobicContact CE1-CE 3.98Å; Y504-V548 HydrophobicContact CD1-CG1 4.41Å; Y504-V548 HydrophobicContact CD1-CG2 4.38Å; Y504-V548 HydrophobicContact CD2-CB 4.43Å; Y504-V548 HydrophobicContact CD2-CG1 4.39Å; Y504-V548 HydrophobicContact CE2-CG1 4.46Å; Y504-V548 HydrophobicContact CG-CB 4.33Å; Y504-V548 HydrophobicContact CG-CG1 4.36Å; Y504-V548 HydrophobicContact CG-CG2 4.09Å; Y504-L552 HydrophobicContact CE1-CD2 4.13Å; Y504-L552 WeakPolarHBondContact OH-CD2 3.15Å
505L98.2Very high93.4Very high1 Ų158.2 Ų58.21%0.00532%0.319CS..Hα-helixtrans-59.3-42.5177.9-70.9165.3000112.2L501 S507 G509 L512 L517 M520 V609L501-L505 HydrophobicContact CD1-CD1 4.04Å; L501-L505 HydrophobicContact CD1-CD2 4.32Å; L501-L505 HydrophobicContact CD1-CG 3.89Å; L501-L505 HydrophobicContact CG-CD1 3.85Å; L501-L505 HydrophobicContact CG-CG 4.21Å; L501-L505 WeakPolarHBondContact O-CB 3.43Å; L501-L505 VanDerWaalsContact O-CG 3.24Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 3.17Å; L505-S507 VanDerWaalsContact C-N 3.29Å; L505-S507 PolarHBondContact O-N 3.33Å; L505-G509 WeakPolarHBondContact O-CA 3.39Å; L505-G509 PolarHBondContact O-N 2.85Å; L505-L512 HydrophobicContact CD2-CD1 4.37Å; L505-L517 HydrophobicContact CD2-CD2 3.84Å; L505-M520 HydrophobicContact CD2-SD 4.32Å; L505-V609 HydrophobicContact CD1-CB 4.43Å; L505-V609 HydrophobicContact CD1-CG2 4.1Å; L505-V609 HydrophobicContact CD2-CG1 4.4Å
506R97.8Very high93.3Very high136 Ų13658.3 Ų58.351%0.51332%0.322SS..Hα-helixtrans-65-33.9178.4-73.3173175.8178.3-2.1113L502 N503 Y504 G613L502-R506 WeakPolarHBondContact O-CG 3.31Å; L502-R506 PolarHBondContact O-N 2.67Å; N503-R506 PolarHBondContact O-N 3.3Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 3.34Å; R506-G613 PolarHBondContact NE-O 3.38Å; R506-G613 PolarHBondContact NH2-O 2.93Å; R506-G613 VanDerWaalsContact NH2-O 3.11Å
507S96.3Very high93.5Very high87 Ų8757.9 Ų57.961%0.60832%0.32SS*.Hα-helixtrans-90.4-40.2-174.1-51.80000112.5N503 Y504 L505N503-S507 WeakPolarHBondContact O-CB 3.39Å; N503-S507 PolarHBondContact O-N 2.89Å; N503-S507 VanDerWaalsContact O-N 3.1Å; N503-S507 PolarHBondContact O-OG 3.08Å; Y504-S507 PolarHBondContact O-N 2.85Å; L505-S507 VanDerWaalsContact C-N 3.29Å; L505-S507 PolarHBondContact O-N 3.33Å
508H93Very high93.9Very high103 Ų10355.5 Ų55.548%0.47730%0.303SS..Hα-helixtrans-120.2-11.3-170.3-52.9101.6000113.4Y504 K510 G511Y504-H508 HydrophobicContact CD1-CB 4.46Å; Y504-H508 AromaticContact CD2-ND1 3.54Å; Y504-H508 HydrophobicContact CE1-CB 4.01Å; Y504-H508 HydrophobicContact CE2-CB 4.32Å; Y504-H508 AromaticContact CE2-ND1 3.53Å; Y504-H508 PolarHBondContact O-N 3.28Å; H508-K510 PolarHBondContact O-N 2.64Å; H508-K510 VanDerWaalsContact O-N 3.09Å; H508-G511 PolarHBondContact O-N 2.71Å
509G91.1Very high94.1Very high1 Ų155.4 Ų55.41%0.0130%0.3CS..G310 helixtrans-63-22.3-170.700000115.2L505 G511 L512 L612L505-G509 WeakPolarHBondContact O-CA 3.39Å; L505-G509 PolarHBondContact O-N 2.85Å; G509-G511 PolarHBondContact O-N 3.37Å; G509-L512 PolarHBondContact O-N 3.13Å; G509-L612 WeakPolarHBondContact O-CD2 3.37Å
510K92.4Very high94.3Very high203 Ų20354 Ų5488%0.88329%0.285SS*.G310 helixtrans-66.6-20.4174.2-67.6-176.4-179.6178.30113.7H508 L612H508-K510 PolarHBondContact O-N 2.64Å; H508-K510 VanDerWaalsContact O-N 3.09Å; K510-L612 HydrophobicContact CG-CD1 4.41Å
511G89.4Confident94.4Very high63 Ų6352.8 Ų52.865%0.64928%0.277SS*.G310 helixtrans-100.17.6176.700000113.6H508 G509H508-G511 PolarHBondContact O-N 2.71Å; G509-G511 PolarHBondContact O-N 3.37Å
512L91.3Very high94.4Very high18 Ų1854.3 Ų54.39%0.09428%0.283CS..  trans-96.6135.9178-63.4176.7000110.5Y504 L505 G509 Q516 L517 M520 L552Y504-L512 HydrophobicContact CE1-CD1 4.16Å; L505-L512 HydrophobicContact CD2-CD1 4.37Å; G509-L512 PolarHBondContact O-N 3.13Å; L512-Q516 HydrophobicContact CD2-CB 4.46Å; L512-L517 HydrophobicContact CB-CD2 4Å; L512-L517 HydrophobicContact CB-CG 4.31Å; L512-L517 HydrophobicContact CD1-CD2 3.74Å; L512-M520 HydrophobicContact CD1-CE 3.57Å; L512-M520 HydrophobicContact CD1-SD 4.1Å; L512-M520 HydrophobicContact CD2-CE 4.29Å; L512-L552 HydrophobicContact CD2-CD1 4.42Å
513E88.9Confident94.4Very high122 Ų12253.7 Ų53.757%0.5728%0.28SS*.  trans-77.6153.5172-66.3-58.8143.400111.3S515 Q516 L517E513-S515 PolarHBondContact O-N 2.56Å; E513-S515 VanDerWaalsContact O-N 3.14Å; E513-Q516 HydrophobicContact CB-CG 4.43Å; E513-Q516 WeakPolarHBondContact O-CB 3.41Å; E513-Q516 PolarHBondContact O-N 3.33Å; E513-L517 PolarHBondContact O-N 3.34Å; E513-L517 VanDerWaalsContact O-N 3.09Å
514P91.6Very high94.5Very high51 Ų5149.4 Ų49.433%0.33126%0.257SS..Hα-helixtrans-54.3-32.8177.6-27.735.8000114.4L517 L518P514-L517 WeakPolarHBondContact O-CB 3.16Å; P514-L517 PolarHBondContact O-N 3.23Å; P514-L518 PolarHBondContact O-N 3.49Å
515S88.8Confident94.6Very high47 Ų4748.2 Ų48.233%0.32925%0.252SS..Hα-helixtrans-64.6-42.7175560000111.8E513 L517 L518 E519E513-S515 PolarHBondContact O-N 2.56Å; E513-S515 VanDerWaalsContact O-N 3.14Å; S515-L517 VanDerWaalsContact C-N 3.34Å; S515-L517 PolarHBondContact O-N 2.75Å; S515-L518 WeakPolarHBondContact O-CB 3.4Å; S515-L518 PolarHBondContact O-N 3.4Å; S515-L518 VanDerWaalsContact O-N 3.16Å; S515-E519 WeakPolarHBondContact O-CG 3.3Å; S515-E519 PolarHBondContact O-N 2.91Å
516Q90.9Very high94.6Very high69 Ų6950.8 Ų50.832%0.32226%0.264SS..Hα-helixtrans-65.5-37.5175.5-61.3176.9-63.900111.8L512 E513 L518 E519 M520L512-Q516 HydrophobicContact CD2-CB 4.46Å; E513-Q516 HydrophobicContact CB-CG 4.43Å; E513-Q516 WeakPolarHBondContact O-CB 3.41Å; E513-Q516 PolarHBondContact O-N 3.33Å; Q516-L518 VanDerWaalsContact C-N 3.31Å; Q516-E519 PolarHBondContact O-N 3.14Å; Q516-M520 WeakPolarHBondContact O-CG 3.49Å; Q516-M520 PolarHBondContact O-N 2.81Å; Q516-M520 VanDerWaalsContact O-N 3.07Å
517L96.5Very high94.5Very high0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-63.1-39.1173-64.2179.7000111.5L505 L512 E513 P514 S515 M520 C521 V609 F610 L612 L640L505-L517 HydrophobicContact CD2-CD2 3.84Å; L512-L517 HydrophobicContact CB-CD2 4Å; L512-L517 HydrophobicContact CB-CG 4.31Å; L512-L517 HydrophobicContact CD1-CD2 3.74Å; E513-L517 PolarHBondContact O-N 3.34Å; E513-L517 VanDerWaalsContact O-N 3.09Å; P514-L517 WeakPolarHBondContact O-CB 3.16Å; P514-L517 PolarHBondContact O-N 3.23Å; S515-L517 VanDerWaalsContact C-N 3.34Å; S515-L517 PolarHBondContact O-N 2.75Å; L517-M520 WeakPolarHBondContact O-CB 3.3Å; L517-M520 PolarHBondContact O-N 3.15Å; L517-C521 PolarHBondContact O-N 3.17Å; L517-C521 PolarHBondContact O-SG 3.47Å; L517-V609 HydrophobicContact CB-CG1 3.84Å; L517-V609 HydrophobicContact CD2-CG1 3.9Å; L517-V609 HydrophobicContact CG-CG1 4.41Å; L517-V609 WeakPolarHBondContact O-CG1 3.25Å; L517-F610 HydrophobicContact CB-CE1 4.14Å; L517-F610 HydrophobicContact CB-CZ 4.13Å; L517-F610 HydrophobicContact CD1-CD1 4.32Å; L517-L612 HydrophobicContact CD1-CD2 3.97Å; L517-L612 HydrophobicContact CD2-CD2 4.11Å; L517-L640 HydrophobicContact CD1-CB 4.38Å; L517-L640 HydrophobicContact CD1-CD1 3.76Å
518L96.4Very high94.6Very high5 Ų540.3 Ų40.33%0.02621%0.211CC..Hα-helixtrans-66.8-41.2175.6-17165.7000112P514 S515 Q516 M520 C521 Y522 F610 I645 I670 L673 R674P514-L518 PolarHBondContact O-N 3.49Å; S515-L518 WeakPolarHBondContact O-CB 3.4Å; S515-L518 PolarHBondContact O-N 3.4Å; S515-L518 VanDerWaalsContact O-N 3.16Å; Q516-L518 VanDerWaalsContact C-N 3.31Å; L518-M520 VanDerWaalsContact C-N 3.31Å; L518-M520 PolarHBondContact O-N 3.47Å; L518-C521 WeakPolarHBondContact O-CB 3.43Å; L518-C521 PolarHBondContact O-N 3.18Å; L518-C521 VanDerWaalsContact O-N 3.12Å; L518-Y522 PolarHBondContact O-N 3.12Å; L518-F610 HydrophobicContact CB-CZ 4.24Å; L518-F610 HydrophobicContact CD1-CZ 4.28Å; L518-I645 HydrophobicContact CD1-CD1 4.31Å; L518-I645 HydrophobicContact CD1-CG1 4.31Å; L518-I670 HydrophobicContact CD1-CG2 3.86Å; L518-I670 HydrophobicContact CD2-CG2 4.49Å; L518-I670 HydrophobicContact CG-CG2 4.05Å; L518-L673 HydrophobicContact CD2-CB 3.71Å; L518-R674 HydrophobicContact CD2-CG 4.16Å; L518-R674 HydrophobicContact CG-CG 4.5Å
519E94.6Very high94.9Very high62 Ų6235.8 Ų35.829%0.2919%0.192SC..Hα-helixtrans-58-42.7173.3-69.6-59.2134.800111.6S515 Q516 C521 Y522 D523 R674S515-E519 WeakPolarHBondContact O-CG 3.3Å; S515-E519 PolarHBondContact O-N 2.91Å; Q516-E519 PolarHBondContact O-N 3.14Å; E519-C521 VanDerWaalsContact C-N 3.31Å; E519-C521 PolarHBondContact O-N 3.39Å; E519-Y522 WeakPolarHBondContact O-CB 2.76Å; E519-Y522 PolarHBondContact O-N 3.22Å; E519-Y522 VanDerWaalsContact O-N 3.15Å; E519-D523 PolarHBondContact O-N 3.07Å; E519-R674 VanDerWaalsContact CD-NE 3.29Å; E519-R674 WeakPolarHBondContact OE1-CG 3.15Å; E519-R674 IonicContact OE1-CZ 2.67Å; E519-R674 IonicContact OE1-NE 2.65Å; E519-R674 PolarHBondContact OE1-NE 3.27Å; E519-R674 IonicContact OE1-NH2 3.56Å; E519-R674 PolarHBondContact OE1-NH2 3.01Å; E519-R674 IonicContact OE2-CZ 2.67Å; E519-R674 IonicContact OE2-NE 2.77Å; E519-R674 PolarHBondContact OE2-NE 3.15Å; E519-R674 VanDerWaalsContact OE2-NE 3.14Å; E519-R674 IonicContact OE2-NH2 3.3Å; E519-R674 PolarHBondContact OE2-NH2 3.28Å
520M97.6Very high95.1Very high2 Ų237.3 Ų37.31%0.0120%0.199CC..Hα-helixtrans-60.1-39.5174.7-68.7-179.5-179.300112.4L501 Y504 L505 L512 Q516 L517 L518 V524 V554L501-M520 HydrophobicContact CD1-SD 3.69Å; Y504-M520 HydrophobicContact CD1-CE 4.27Å; Y504-M520 HydrophobicContact CE1-CE 3.98Å; L505-M520 HydrophobicContact CD2-SD 4.32Å; L512-M520 HydrophobicContact CD1-CE 3.57Å; L512-M520 HydrophobicContact CD1-SD 4.1Å; L512-M520 HydrophobicContact CD2-CE 4.29Å; Q516-M520 WeakPolarHBondContact O-CG 3.49Å; Q516-M520 PolarHBondContact O-N 2.81Å; Q516-M520 VanDerWaalsContact O-N 3.07Å; L517-M520 WeakPolarHBondContact O-CB 3.3Å; L517-M520 PolarHBondContact O-N 3.15Å; L518-M520 VanDerWaalsContact C-N 3.31Å; L518-M520 PolarHBondContact O-N 3.47Å; M520-V524 WeakPolarHBondContact O-CG2 3.34Å; M520-V524 PolarHBondContact O-N 2.9Å; M520-V554 HydrophobicContact CB-CG2 3.69Å; M520-V554 HydrophobicContact CG-CG2 3.61Å
521C98.6Very high95.3Very high0 Ų027.7 Ų27.70%016%0.157CC..Hα-helixtrans-69-38.8174.6-67.60000112.2L517 L518 E519 V524 C525 F602 M606L517-C521 PolarHBondContact O-N 3.17Å; L517-C521 PolarHBondContact O-SG 3.47Å; L518-C521 WeakPolarHBondContact O-CB 3.43Å; L518-C521 PolarHBondContact O-N 3.18Å; L518-C521 VanDerWaalsContact O-N 3.12Å; E519-C521 VanDerWaalsContact C-N 3.31Å; E519-C521 PolarHBondContact O-N 3.39Å; C521-V524 PolarHBondContact O-N 2.99Å; C521-C525 WeakPolarHBondContact O-CB 3.1Å; C521-C525 PolarHBondContact O-N 2.59Å; C521-F602 WeakPolarHBondContact O-CE2 3.23Å; C521-M606 HydrophobicContact CB-CE 4.44Å; C521-M606 HydrophobicContact CB-CG 4.23Å
522Y97.8Very high95.6Very high33 Ų3326.7 Ų26.713%0.12914%0.135CC..Hα-helixtrans-61.3-48.7177.9-179.6-91.8000111.2L518 E519 V524 C525 E526 L667 I670 E671 R674L518-Y522 PolarHBondContact O-N 3.12Å; E519-Y522 WeakPolarHBondContact O-CB 2.76Å; E519-Y522 PolarHBondContact O-N 3.22Å; E519-Y522 VanDerWaalsContact O-N 3.15Å; Y522-V524 VanDerWaalsContact C-N 3.32Å; Y522-V524 PolarHBondContact O-N 2.85Å; Y522-C525 CarbonylContact O-C 3.56Å; Y522-C525 WeakPolarHBondContact O-CA 3.2Å; Y522-C525 WeakPolarHBondContact O-CB 3.07Å; Y522-C525 PolarHBondContact O-N 3.12Å; Y522-E526 PolarHBondContact O-N 3.09Å; Y522-L667 HydrophobicContact CD2-CD2 3.88Å; Y522-L667 HydrophobicContact CE2-CD2 3.48Å; Y522-L667 VanDerWaalsContact CE2-CD2 3.48Å; Y522-I670 HydrophobicContact CD2-CB 4.38Å; Y522-I670 HydrophobicContact CD2-CG2 3.86Å; Y522-I670 HydrophobicContact CG-CG2 4.5Å; Y522-E671 WeakPolarHBondContact CE2-OE2 3.17Å; Y522-E671 PolarHBondContact OH-OE2 3.2Å; Y522-R674 VanDerWaalsContact CE1-NH1 3.32Å; Y522-R674 VanDerWaalsContact CZ-NH1 3.27Å
523D97.6Very high95.7Very high9 Ų929.9 Ų29.95%0.04816%0.159CC..Hα-helixtrans-53.6-46.7176.6-83-0.5000112.7K475 E519 E526 G527 C553 V554K475-D523 VanDerWaalsContact CB-O 3.31Å; K475-D523 WeakPolarHBondContact CB-O 3.41Å; K475-D523 HydrophobicContact CD-CB 4.02Å; K475-D523 VanDerWaalsContact CE-OD1 3.25Å; K475-D523 WeakPolarHBondContact CE-OD1 3.46Å; K475-D523 WeakPolarHBondContact CG-O 3.46Å; K475-D523 IonicContact NZ-OD1 2.7Å; K475-D523 PolarHBondContact NZ-OD1 3.22Å; K475-D523 IonicContact NZ-OD2 3.62Å; K475-D523 PolarHBondContact NZ-OD2 3.17Å; E519-D523 PolarHBondContact O-N 3.07Å; D523-E526 PolarHBondContact O-N 2.99Å; D523-G527 PolarHBondContact O-N 3.21Å; D523-G527 VanDerWaalsContact O-N 3.15Å; D523-C553 WeakPolarHBondContact OD2-CA 3.37Å; D523-V554 HydrophobicContact CB-CB 3.91Å; D523-V554 PolarHBondContact OD2-N 2.63Å
524V98.7Very high95.8Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-64.8-43.4175.9173.90000110.9M520 C521 Y522 E526 G527 M528 L541 C546 V554 V556 F602 L605M520-V524 WeakPolarHBondContact O-CG2 3.34Å; M520-V524 PolarHBondContact O-N 2.9Å; C521-V524 PolarHBondContact O-N 2.99Å; Y522-V524 VanDerWaalsContact C-N 3.32Å; Y522-V524 PolarHBondContact O-N 2.85Å; V524-E526 VanDerWaalsContact C-N 3.28Å; V524-E526 PolarHBondContact O-N 3.23Å; V524-G527 PolarHBondContact O-N 2.81Å; V524-M528 HydrophobicContact CG1-CG 4.26Å; V524-M528 WeakPolarHBondContact O-CB 3.33Å; V524-M528 VanDerWaalsContact O-CG 3.29Å; V524-M528 WeakPolarHBondContact O-CG 3.29Å; V524-M528 PolarHBondContact O-N 2.92Å; V524-L541 HydrophobicContact CG1-CD1 4.05Å; V524-C546 HydrophobicContact CG2-CB 4.43Å; V524-V554 HydrophobicContact CG2-CB 4.25Å; V524-V554 HydrophobicContact CG2-CG1 3.5Å; V524-V554 VanDerWaalsContact CG2-CG1 3.5Å; V524-V556 HydrophobicContact CB-CG2 4.44Å; V524-V556 HydrophobicContact CG1-CG2 4.02Å; V524-F602 HydrophobicContact CB-CE2 4.25Å; V524-F602 HydrophobicContact CG1-CD2 3.95Å; V524-F602 HydrophobicContact CG1-CE2 4.01Å; V524-L605 HydrophobicContact CB-CD2 4.43Å; V524-L605 HydrophobicContact CG1-CD1 3.87Å; V524-L605 HydrophobicContact CG1-CD2 4.2Å; V524-L605 HydrophobicContact CG2-CD2 4.33Å
525C98.6Very high95.7Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-60.7-39.2179.2-1640000111.7C521 Y522 M528 A529 F602 L667 I670C521-C525 WeakPolarHBondContact O-CB 3.1Å; C521-C525 PolarHBondContact O-N 2.59Å; Y522-C525 CarbonylContact O-C 3.56Å; Y522-C525 WeakPolarHBondContact O-CA 3.2Å; Y522-C525 WeakPolarHBondContact O-CB 3.07Å; Y522-C525 PolarHBondContact O-N 3.12Å; C525-M528 PolarHBondContact O-N 2.85Å; C525-A529 WeakPolarHBondContact O-CB 3.48Å; C525-A529 PolarHBondContact O-N 3.37Å; C525-F602 HydrophobicContact CB-CE1 4.41Å; C525-F602 HydrophobicContact CB-CE2 3.85Å; C525-F602 HydrophobicContact CB-CZ 3.6Å; C525-L667 HydrophobicContact CB-CD2 3.83Å; C525-L667 HydrophobicContact CB-CG 4.38Å; C525-I670 HydrophobicContact CB-CD1 4.38Å
526E97.9Very high95.8Very high56 Ų5627.3 Ų27.326%0.26214%0.137SC..Hα-helixtrans-65.8-46.1178-166.9-170.3-175.200111K475 Y522 D523 V524 M528 A529 F530 L667K475-E526 WeakPolarHBondContact CE-OE2 3.21Å; K475-E526 HydrophobicContact CG-CB 4.15Å; K475-E526 HydrophobicContact CG-CG 4.35Å; K475-E526 WeakPolarHBondContact CG-OE2 3.23Å; Y522-E526 PolarHBondContact O-N 3.09Å; D523-E526 PolarHBondContact O-N 2.99Å; V524-E526 VanDerWaalsContact C-N 3.28Å; V524-E526 PolarHBondContact O-N 3.23Å; E526-M528 VanDerWaalsContact C-N 3.32Å; E526-M528 PolarHBondContact O-N 2.77Å; E526-A529 PolarHBondContact O-N 2.72Å; E526-F530 PolarHBondContact O-N 3.39Å; E526-F530 VanDerWaalsContact O-N 3.13Å; E526-L667 HydrophobicContact CB-CD2 4.14Å
527G97.4Very high95.8Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-60.1-40.3173.400000113D523 V524 F530 L531D523-G527 PolarHBondContact O-N 3.21Å; D523-G527 VanDerWaalsContact O-N 3.15Å; V524-G527 PolarHBondContact O-N 2.81Å; G527-F530 WeakPolarHBondContact O-CB 3.4Å; G527-F530 PolarHBondContact O-N 3.24Å; G527-L531 PolarHBondContact O-N 3.39Å
528M98.4Very high95.7Very high2 Ų224 Ų241%0.0112%0.122CC..Hα-helixtrans-73.9-31.6178.8-68.2-58.5-55.300113.3V524 C525 E526 F530 L531 E532 H538 L541 V556 D598 F663V524-M528 HydrophobicContact CG1-CG 4.26Å; V524-M528 WeakPolarHBondContact O-CB 3.33Å; V524-M528 VanDerWaalsContact O-CG 3.29Å; V524-M528 WeakPolarHBondContact O-CG 3.29Å; V524-M528 PolarHBondContact O-N 2.92Å; C525-M528 PolarHBondContact O-N 2.85Å; E526-M528 VanDerWaalsContact C-N 3.32Å; E526-M528 PolarHBondContact O-N 2.77Å; M528-F530 VanDerWaalsContact C-N 3.31Å; M528-L531 HydrophobicContact CE-CD1 4.21Å; M528-L531 PolarHBondContact O-N 2.93Å; M528-L531 HydrophobicContact SD-CD1 3.81Å; M528-E532 WeakPolarHBondContact O-CB 3.3Å; M528-E532 PolarHBondContact O-N 3.29Å; M528-H538 HydrophobicContact CE-CB 3.86Å; M528-H538 HydrophobicContact SD-CB 4.29Å; M528-L541 HydrophobicContact CE-CD2 4.06Å; M528-L541 HydrophobicContact CG-CD1 4.29Å; M528-L541 HydrophobicContact CG-CD2 3.84Å; M528-L541 HydrophobicContact SD-CD1 3.89Å; M528-L541 HydrophobicContact SD-CD2 3.92Å; M528-L541 HydrophobicContact SD-CG 4.4Å; M528-V556 HydrophobicContact SD-CG1 4.23Å; M528-D598 HydrophobicContact CE-CB 3.74Å; M528-F663 HydrophobicContact CB-CD1 3.46Å; M528-F663 VanDerWaalsContact CB-CD1 3.46Å; M528-F663 HydrophobicContact CB-CD2 3.99Å; M528-F663 HydrophobicContact CB-CE1 3.32Å; M528-F663 HydrophobicContact CB-CE2 3.87Å; M528-F663 HydrophobicContact CB-CG 3.8Å; M528-F663 HydrophobicContact CB-CZ 3.54Å; M528-F663 HydrophobicContact CE-CE2 3.9Å; M528-F663 HydrophobicContact CE-CZ 3.79Å; M528-F663 HydrophobicContact CG-CD1 4.45Å; M528-F663 HydrophobicContact CG-CE1 3.87Å; M528-F663 HydrophobicContact CG-CZ 3.96Å
529A98Very high95.5Very high9 Ų924.5 Ų24.57%0.07412%0.123CC..Hα-helixtrans-63.8-38171.400000111.6C525 E526 E532 S533 F663 L667C525-A529 WeakPolarHBondContact O-CB 3.48Å; C525-A529 PolarHBondContact O-N 3.37Å; E526-A529 PolarHBondContact O-N 2.72Å; A529-E532 PolarHBondContact O-N 3.4Å; A529-S533 WeakPolarHBondContact O-CB 3Å; A529-S533 PolarHBondContact O-N 3.34Å; A529-S533 PolarHBondContact O-OG 2.86Å; A529-F663 HydrophobicContact CB-CB 3.8Å; A529-L667 HydrophobicContact CB-CD1 3.6Å
530F96.7Very high95.5Very high33 Ų3322.9 Ų22.915%0.14512%0.117CC..Hα-helixtrans-60.9-46.6171.1176.2-88.2000111.4L471 H473 L476 E526 G527 M528 S533 H534L471-F530 HydrophobicContact CD2-CE1 4.17Å; H473-F530 HydrophobicContact CB-CB 4.36Å; H473-F530 HydrophobicContact CB-CD1 3.93Å; H473-F530 HydrophobicContact CB-CD2 4Å; H473-F530 HydrophobicContact CB-CE1 4.21Å; H473-F530 HydrophobicContact CB-CE2 4.27Å; H473-F530 HydrophobicContact CB-CG 3.81Å; H473-F530 HydrophobicContact CB-CZ 4.37Å; H473-F530 AromaticContact CD2-CD2 3.56Å; H473-F530 AromaticContact CD2-CG 3.73Å; H473-F530 AromaticContact CG-CG 3.82Å; L476-F530 HydrophobicContact CD1-CD1 3.56Å; L476-F530 HydrophobicContact CD1-CE1 3.91Å; E526-F530 PolarHBondContact O-N 3.39Å; E526-F530 VanDerWaalsContact O-N 3.13Å; G527-F530 WeakPolarHBondContact O-CB 3.4Å; G527-F530 PolarHBondContact O-N 3.24Å; M528-F530 VanDerWaalsContact C-N 3.31Å; F530-S533 PolarHBondContact O-N 2.95Å; F530-S533 PolarHBondContact O-OG 2.77Å; F530-H534 AromaticContact CD2-CE1 3.52Å; F530-H534 AromaticContact CD2-ND1 3.73Å; F530-H534 AromaticContact CE2-CE1 3.2Å; F530-H534 WeakPolarHBondContact CE2-CE1 3.35Å; F530-H534 AromaticContact CE2-ND1 3.64Å; F530-H534 AromaticContact CE2-NE2 3.68Å; F530-H534 AromaticContact CZ-CE1 3.73Å; F530-H534 AromaticContact CZ-ND1 3.86Å; F530-H534 AromaticContact CZ-NE2 3.92Å; F530-H534 PolarHBondContact O-N 2.8Å; F530-H534 PolarHBondContact O-ND1 3.22Å
531L95.3Very high95.5Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-61.7-45.5177.2-65-176.8000112.2L471 L476 G527 M528 S533 H534 Q535 F536 H538 F559L471-L531 HydrophobicContact CD1-CD2 4.04Å; L471-L531 HydrophobicContact CD2-CD2 3.59Å; L471-L531 HydrophobicContact CG-CD2 4.39Å; L476-L531 HydrophobicContact CD1-CD2 3.69Å; L476-L531 HydrophobicContact CD1-CG 4.22Å; L476-L531 HydrophobicContact CD2-CD1 4.45Å; L476-L531 HydrophobicContact CD2-CG 4.36Å; G527-L531 PolarHBondContact O-N 3.39Å; M528-L531 HydrophobicContact CE-CD1 4.21Å; M528-L531 PolarHBondContact O-N 2.93Å; M528-L531 HydrophobicContact SD-CD1 3.81Å; L531-S533 PolarHBondContact O-N 3.16Å; L531-H534 CarbonylContact O-C 3.56Å; L531-H534 PolarHBondContact O-N 2.89Å; L531-Q535 PolarHBondContact O-N 2.96Å; L531-Q535 VanDerWaalsContact O-N 3.14Å; L531-F536 CarbonylContact C-O 3.48Å; L531-F536 HydrophobicContact CB-CB 4.15Å; L531-F536 HydrophobicContact CD2-CB 4.04Å; L531-F536 PolarHBondContact O-N 3.16Å; L531-H538 HydrophobicContact CD1-CB 4.27Å; L531-F559 HydrophobicContact CD1-CE1 4.27Å
532E95.6Very high95.4Very high42 Ų4222.9 Ų22.920%0.19612%0.116CC..Hα-helixtrans-57.6-48.5178.2-176.9-178.5-120.900111.3M528 A529 H534 Q535 T662 F663M528-E532 WeakPolarHBondContact O-CB 3.3Å; M528-E532 PolarHBondContact O-N 3.29Å; A529-E532 PolarHBondContact O-N 3.4Å; E532-H534 PolarHBondContact O-N 2.99Å; E532-Q535 PolarHBondContact O-N 2.92Å; E532-Q535 VanDerWaalsContact O-N 3.15Å; E532-T662 WeakPolarHBondContact OE1-CA 3.26Å; E532-T662 WeakPolarHBondContact OE1-CB 3.5Å; E532-T662 WeakPolarHBondContact OE2-CB 3.45Å; E532-F663 HydrophobicContact CB-CD2 4.12Å; E532-F663 PolarHBondContact OE1-N 3.35Å; E532-F663 PolarHBondContact OE2-N 3.13Å
533S94.4Very high95.5Very high85 Ų8521.3 Ų21.359%0.59411%0.11SC*.Hα-helixtrans-66.6-22.4179.457.60000114.2A529 F530 L531A529-S533 WeakPolarHBondContact O-CB 3Å; A529-S533 PolarHBondContact O-N 3.34Å; A529-S533 PolarHBondContact O-OG 2.86Å; F530-S533 PolarHBondContact O-N 2.95Å; F530-S533 PolarHBondContact O-OG 2.77Å; L531-S533 PolarHBondContact O-N 3.16Å
534H91.1Very high95.4Very high83 Ų8324.2 Ų24.238%0.38412%0.121SC..THydrogen-bonded Turntrans-101.313.9177-66.275.2000113F530 L531 E532 F536F530-H534 AromaticContact CD2-CE1 3.52Å; F530-H534 AromaticContact CD2-ND1 3.73Å; F530-H534 AromaticContact CE2-CE1 3.2Å; F530-H534 WeakPolarHBondContact CE2-CE1 3.35Å; F530-H534 AromaticContact CE2-ND1 3.64Å; F530-H534 AromaticContact CE2-NE2 3.68Å; F530-H534 AromaticContact CZ-CE1 3.73Å; F530-H534 AromaticContact CZ-ND1 3.86Å; F530-H534 AromaticContact CZ-NE2 3.92Å; F530-H534 PolarHBondContact O-N 2.8Å; F530-H534 PolarHBondContact O-ND1 3.22Å; L531-H534 CarbonylContact O-C 3.56Å; L531-H534 PolarHBondContact O-N 2.89Å; E532-H534 PolarHBondContact O-N 2.99Å; H534-F536 VanDerWaalsContact C-N 3.27Å; H534-F536 HydrophobicContact CB-CD2 3.75Å; H534-F536 HydrophobicContact CB-CE2 4.08Å; H534-F536 WeakPolarHBondContact O-CD2 3.18Å; H534-F536 WeakPolarHBondContact O-CE2 3.47Å; H534-F536 PolarHBondContact O-N 3.46Å
535Q89.1Confident95.3Very high75 Ų7525 Ų2535%0.3513%0.125SC..THydrogen-bonded Turntrans61.233.3175.6-51.8-178.3-62.900113.6L531 E532 Y564 V565 L566L531-Q535 PolarHBondContact O-N 2.96Å; L531-Q535 VanDerWaalsContact O-N 3.14Å; E532-Q535 PolarHBondContact O-N 2.92Å; E532-Q535 VanDerWaalsContact O-N 3.15Å; Q535-Y564 HydrophobicContact CB-CD2 4.37Å; Q535-Y564 HydrophobicContact CB-CE2 4.02Å; Q535-Y564 WeakPolarHBondContact O-CA 3.4Å; Q535-Y564 PolarHBondContact OE1-OH 2.95Å; Q535-V565 PolarHBondContact O-N 3.18Å; Q535-L566 PolarHBondContact NE2-O 3.08Å
536F91.1Very high95.2Very high9 Ų925 Ų254%0.03913%0.125CC..EExtended strand (participates in β ladder)trans-103.2131.8172.8-72.8-79.6000111T467 K470 L471 L531 H534 T562 R563 Y564T467-F536 HydrophobicContact CG2-CD1 3.77Å; T467-F536 HydrophobicContact CG2-CE1 3.42Å; T467-F536 VanDerWaalsContact CG2-CE1 3.42Å; T467-F536 HydrophobicContact CG2-CZ 4.38Å; K470-F536 HydrophobicContact CB-CE2 4.49Å; K470-F536 HydrophobicContact CB-CZ 4.13Å; K470-F536 HydrophobicContact CD-CZ 4.15Å; L471-F536 HydrophobicContact CD2-CD1 4.42Å; L471-F536 HydrophobicContact CD2-CD2 3.57Å; L471-F536 HydrophobicContact CD2-CE1 4.46Å; L471-F536 HydrophobicContact CD2-CE2 3.63Å; L471-F536 HydrophobicContact CD2-CG 3.98Å; L471-F536 HydrophobicContact CD2-CZ 4.08Å; L531-F536 CarbonylContact C-O 3.48Å; L531-F536 HydrophobicContact CB-CB 4.15Å; L531-F536 HydrophobicContact CD2-CB 4.04Å; L531-F536 PolarHBondContact O-N 3.16Å; H534-F536 VanDerWaalsContact C-N 3.27Å; H534-F536 HydrophobicContact CB-CD2 3.75Å; H534-F536 HydrophobicContact CB-CE2 4.08Å; H534-F536 WeakPolarHBondContact O-CD2 3.18Å; H534-F536 WeakPolarHBondContact O-CE2 3.47Å; H534-F536 PolarHBondContact O-N 3.46Å; F536-T562 HydrophobicContact CB-CG2 4.07Å; F536-T562 HydrophobicContact CD1-CG2 3.94Å; F536-T562 HydrophobicContact CG-CG2 4.4Å; F536-R563 WeakPolarHBondContact CA-O 3.2Å; F536-Y564 HydrophobicContact CD1-CD2 4.43Å; F536-Y564 HydrophobicContact CD2-CD2 4.48Å; F536-Y564 HydrophobicContact CE1-CD2 4.01Å; F536-Y564 HydrophobicContact CE1-CG 4.28Å; F536-Y564 HydrophobicContact CE2-CD2 4.07Å; F536-Y564 AromaticContact CZ-CD2 3.83Å; F536-Y564 HydrophobicContact CZ-CD2 3.83Å; F536-Y564 HydrophobicContact CZ-CG 4.44Å
537I91.5Very high95.2Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-106.7123.2172.3-48.9170.1000107.9R539 T562 R563 V565 D598I537-R539 HydrophobicContact CB-CG 4.14Å; I537-R539 HydrophobicContact CG2-CG 3.6Å; I537-T562 CarbonylContact O-C 3.55Å; I537-T562 VanDerWaalsContact O-CA 3.23Å; I537-T562 WeakPolarHBondContact O-CA 3.27Å; I537-R563 PolarHBondContact N-O 2.97Å; I537-R563 PolarHBondContact O-N 2.89Å; I537-V565 HydrophobicContact CD1-CB 3.92Å; I537-V565 HydrophobicContact CD1-CG1 4.26Å; I537-V565 HydrophobicContact CD1-CG2 3.71Å; I537-V565 HydrophobicContact CG1-CB 4.43Å; I537-V565 HydrophobicContact CG1-CG2 4.26Å; I537-D598 WeakPolarHBondContact CA-OD2 3.1Å; I537-D598 VanDerWaalsContact CG2-OD2 3.3Å; I537-D598 WeakPolarHBondContact CG2-OD2 3.27Å
538H94.3Very high95.1Very high0 Ų024 Ų240%012%0.121CC..  trans-72.8-43.5-177.9-173.6-37000112.7M528 L531 D540 V556 S557 D598M528-H538 HydrophobicContact CE-CB 3.86Å; M528-H538 HydrophobicContact SD-CB 4.29Å; L531-H538 HydrophobicContact CD1-CB 4.27Å; H538-D540 PolarHBondContact ND1-N 3.48Å; H538-D540 PolarHBondContact O-N 2.74Å; H538-V556 WeakPolarHBondContact CD2-CG1 3.4Å; H538-V556 VanDerWaalsContact NE2-CG1 3.3Å; H538-V556 WeakPolarHBondContact NE2-CG1 3.31Å; H538-S557 PolarHBondContact NE2-O 3.38Å; H538-D598 PolarHBondContact N-OD2 2.84Å
539R92.3Very high94.5Very high15 Ų1524.4 Ų24.46%0.05712%0.123CC..SBendtrans69.7-7.5174.8-54175.345.7-139.52.2117.1I537 M561 Y593 D598I537-R539 HydrophobicContact CB-CG 4.14Å; I537-R539 HydrophobicContact CG2-CG 3.6Å; R539-M561 HydrophobicContact CB-CB 4.31Å; R539-M561 VanDerWaalsContact CD-O 3.29Å; R539-M561 WeakPolarHBondContact CD-O 3.37Å; R539-M561 PolarHBondContact NH1-O 2.81Å; R539-Y593 HydrophobicContact CB-CD1 3.7Å; R539-Y593 HydrophobicContact CB-CE1 3.79Å; R539-Y593 HydrophobicContact CB-CG 4.49Å; R539-Y593 HydrophobicContact CG-CD1 3.55Å; R539-Y593 HydrophobicContact CG-CE1 4.14Å; R539-Y593 HydrophobicContact CG-CG 3.93Å; R539-D598 PolarHBondContact N-OD1 2.83Å
540D92.9Very high93.9Very high28 Ų2827.1 Ų27.115%0.1514%0.142CC..  trans-144.839.7177.1-166.521.5000111.6H538 A542 R544 N545 M561 P579H538-D540 PolarHBondContact ND1-N 3.48Å; H538-D540 PolarHBondContact O-N 2.74Å; D540-A542 PolarHBondContact O-N 2.87Å; D540-R544 IonicContact OD1-CZ 3.51Å; D540-R544 IonicContact OD1-NH2 3.34Å; D540-R544 PolarHBondContact OD1-NH2 2.88Å; D540-N545 PolarHBondContact O-ND2 3.33Å; D540-N545 PolarHBondContact OD2-ND2 3.14Å; D540-M561 HydrophobicContact CB-CB 4.46Å; D540-P579 VanDerWaalsContact OD1-CG 3.27Å; D540-P579 WeakPolarHBondContact OD1-CG 3.49Å
541L97.9Very high93.1Very high1 Ų131.4 Ų31.41%0.00517%0.166CC..  trans-68.4123.4176.6-17865.4000110.6V524 M528 V556 A601 F602 L605 F663V524-L541 HydrophobicContact CG1-CD1 4.05Å; M528-L541 HydrophobicContact CE-CD2 4.06Å; M528-L541 HydrophobicContact CG-CD1 4.29Å; M528-L541 HydrophobicContact CG-CD2 3.84Å; M528-L541 HydrophobicContact SD-CD1 3.89Å; M528-L541 HydrophobicContact SD-CD2 3.92Å; M528-L541 HydrophobicContact SD-CG 4.4Å; L541-V556 HydrophobicContact CD1-CG1 4.15Å; L541-A601 HydrophobicContact CB-CB 4.03Å; L541-F602 HydrophobicContact CD2-CB 3.76Å; L541-F602 HydrophobicContact CD2-CD2 4.35Å; L541-L605 HydrophobicContact CD1-CD1 3.87Å; L541-L605 HydrophobicContact CG-CD1 3.98Å; L541-F663 HydrophobicContact CD2-CZ 4.48Å
542A97.9Very high92.6Very high0 Ų033.9 Ų33.90%018%0.179CC..SBendtrans-165.2161.1177.500000110.1D540 R544 N545 C546 W582D540-A542 PolarHBondContact O-N 2.87Å; A542-R544 HydrophobicContact CB-CG 3.91Å; A542-R544 PolarHBondContact O-N 2.74Å; A542-N545 PolarHBondContact O-N 2.94Å; A542-C546 PolarHBondContact O-N 3.23Å; A542-W582 HydrophobicContact CB-CD2 4.3Å; A542-W582 HydrophobicContact CB-CG 4.14Å
543A98.3Very high92.3Very high0 Ų033.6 Ų33.60%018%0.182CC..G310 helixtrans-59.9-23.217900000113.9L501 L502 N545 E608L501-A543 WeakPolarHBondContact CB-O 3.2Å; L501-A543 HydrophobicContact CD2-CB 4.25Å; L501-A543 HydrophobicContact CG-CB 4.31Å; L501-A543 PolarHBondContact N-O 2.84Å; L502-A543 HydrophobicContact CB-CB 4.08Å; L502-A543 PolarHBondContact N-O 2.94Å; A543-N545 VanDerWaalsContact C-N 3.28Å; A543-N545 PolarHBondContact O-N 3.36Å; A543-E608 HydrophobicContact CB-CB 4.14Å; A543-E608 PolarHBondContact N-OE2 2.96Å; A543-E608 VanDerWaalsContact N-OE2 3.07Å
544R95.9Very high92.4Very high71 Ų7129.6 Ų29.627%0.26815%0.153SC..G310 helixtrans-69.3-24173.461.6171178.1-73.3-8.7113.6C500 L502 D540 A542 P579C500-R544 WeakPolarHBondContact CB-O 2.84Å; L502-R544 HydrophobicContact CB-CB 4.44Å; L502-R544 HydrophobicContact CD2-CB 4.12Å; D540-R544 IonicContact OD1-CZ 3.51Å; D540-R544 IonicContact OD1-NH2 3.34Å; D540-R544 PolarHBondContact OD1-NH2 2.88Å; A542-R544 HydrophobicContact CB-CG 3.91Å; A542-R544 PolarHBondContact O-N 2.74Å; R544-P579 VanDerWaalsContact NH2-CB 3.27Å
545N95.9Very high92.7Very high16 Ų1626.8 Ų26.89%0.08614%0.14CC..G310 helixtrans-105.714.7-177.2-66.6-12.9000111.7D540 A542 A543 S557 D558D540-N545 PolarHBondContact O-ND2 3.33Å; D540-N545 PolarHBondContact OD2-ND2 3.14Å; A542-N545 PolarHBondContact O-N 2.94Å; A543-N545 VanDerWaalsContact C-N 3.28Å; A543-N545 PolarHBondContact O-N 3.36Å; N545-S557 CarbonylContact O-C 3.58Å; N545-S557 WeakPolarHBondContact O-CA 3.3Å; N545-S557 WeakPolarHBondContact O-CB 3.34Å; N545-S557 PolarHBondContact O-N 2.79Å; N545-D558 HydrophobicContact CB-CB 4.35Å
546C98Very high93.1Very high0 Ų023.2 Ų23.20%012%0.123CC..EExtended strand (participates in β ladder)trans-112.7143.9166.7-58.10000108.8C500 L501 V524 A542 V554 K555C500-C546 CarbonylContact C-O 3.54Å; C500-C546 WeakPolarHBondContact CA-O 3.1Å; L501-C546 HydrophobicContact CB-CB 3.98Å; L501-C546 HydrophobicContact CD2-CB 4.08Å; L501-C546 PolarHBondContact N-O 2.94Å; V524-C546 HydrophobicContact CG2-CB 4.43Å; A542-C546 PolarHBondContact O-N 3.23Å; C546-V554 HydrophobicContact CB-CG1 3.7Å; C546-K555 CarbonylContact C-O 3.57Å; C546-K555 VanDerWaalsContact CA-O 3.29Å; C546-K555 WeakPolarHBondContact CA-O 3.31Å
547L96.9Very high93.2Very high34 Ų3423.9 Ų23.918%0.17813%0.129CC..EExtended strand (participates in β ladder)trans-115.2148.9179.9-55.8-178.5000110.6V477 I496 G499 C500 V554 K555V477-L547 HydrophobicContact CG2-CD1 3.86Å; V477-L547 HydrophobicContact CG2-CG 4.36Å; I496-L547 HydrophobicContact CB-CB 3.77Å; I496-L547 HydrophobicContact CB-CD1 3.9Å; I496-L547 HydrophobicContact CB-CG 4.47Å; I496-L547 HydrophobicContact CG1-CB 4.02Å; I496-L547 HydrophobicContact CG1-CD1 3.85Å; I496-L547 HydrophobicContact CG2-CB 3.53Å; G499-L547 CarbonylContact O-C 3.56Å; G499-L547 VanDerWaalsContact O-CA 3.29Å; G499-L547 WeakPolarHBondContact O-CA 3.18Å; C500-L547 HydrophobicContact CB-CD2 4.01Å; L547-V554 CarbonylContact O-C 3.55Å; L547-V554 WeakPolarHBondContact O-CA 3.39Å; L547-K555 PolarHBondContact N-O 3.4Å; L547-K555 PolarHBondContact O-N 3.31Å
548V94.7Very high92.8Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)trans-114.2125.6-178-171.20000109.6I496 N498 G499 L501 Y504 L552 C553 V554I496-V548 WeakPolarHBondContact CG2-O 3.21Å; N498-V548 WeakPolarHBondContact CA-O 3.35Å; N498-V548 HydrophobicContact CB-CB 4.11Å; N498-V548 HydrophobicContact CB-CG1 4.38Å; N498-V548 WeakPolarHBondContact CB-O 3.4Å; N498-V548 PolarHBondContact N-O 2.84Å; G499-V548 PolarHBondContact O-N 3.01Å; L501-V548 HydrophobicContact CB-CG2 3.89Å; L501-V548 HydrophobicContact CD1-CG2 3.71Å; L501-V548 HydrophobicContact CG-CG2 4.43Å; Y504-V548 HydrophobicContact CD1-CG1 4.41Å; Y504-V548 HydrophobicContact CD1-CG2 4.38Å; Y504-V548 HydrophobicContact CD2-CB 4.43Å; Y504-V548 HydrophobicContact CD2-CG1 4.39Å; Y504-V548 HydrophobicContact CE2-CG1 4.46Å; Y504-V548 HydrophobicContact CG-CB 4.33Å; Y504-V548 HydrophobicContact CG-CG1 4.36Å; Y504-V548 HydrophobicContact CG-CG2 4.09Å; V548-L552 HydrophobicContact CG1-CD2 4.5Å; V548-C553 WeakPolarHBondContact CA-O 3.33Å; V548-V554 HydrophobicContact CG2-CG2 4.35Å
549D87.5Confident92.2Very high11 Ų1126.6 Ų26.66%0.05914%0.143CC..  trans-88.3-177.4176.275.116.4000112.7I496 N498 D551 L552 C553I496-D549 HydrophobicContact CG2-CB 4.07Å; N498-D549 PolarHBondContact ND2-O 2.94Å; D549-D551 PolarHBondContact O-N 3.24Å; D549-D551 WeakPolarHBondContact OD1-CA 3.37Å; D549-D551 PolarHBondContact OD1-N 3.1Å; D549-L552 PolarHBondContact O-N 3.15Å; D549-L552 PolarHBondContact OD1-N 3.46Å; D549-C553 PolarHBondContact N-O 3.26Å; D549-C553 VanDerWaalsContact OD1-CB 3.31Å; D549-C553 WeakPolarHBondContact OD1-CB 3.34Å; D549-C553 PolarHBondContact OD1-N 3.09Å; D549-C553 VanDerWaalsContact OD2-CB 3.3Å; D549-C553 WeakPolarHBondContact OD2-CB 3.49Å
550S84.3Confident91.1Very high66 Ų6626.5 Ų26.546%0.46215%0.147SC..THydrogen-bonded Turntrans-62.9-23.3-178.245.50000114.1S497 L552S497-S550 PolarHBondContact OG-N 3.03Å; S550-L552 VanDerWaalsContact C-N 3.33Å
551D80.8Confident89.9Confident123 Ų12327.2 Ų27.266%0.65815%0.15SC*.THydrogen-bonded Turntrans-98.913.3-174.9-54.5-46000111.4D549 C553D549-D551 PolarHBondContact O-N 3.24Å; D549-D551 WeakPolarHBondContact OD1-CA 3.37Å; D549-D551 PolarHBondContact OD1-N 3.1Å; D551-C553 PolarHBondContact O-N 3.23Å
552L84.3Confident88.9Confident52 Ų5227.3 Ų27.327%0.27215%0.15SC..SBendtrans6314.7-173.5-51.6-179.1000114Y504 L512 V548 D549 S550Y504-L552 HydrophobicContact CE1-CD2 4.13Å; Y504-L552 WeakPolarHBondContact OH-CD2 3.15Å; L512-L552 HydrophobicContact CD2-CD1 4.42Å; V548-L552 HydrophobicContact CG1-CD2 4.5Å; D549-L552 PolarHBondContact O-N 3.15Å; D549-L552 PolarHBondContact OD1-N 3.46Å; S550-L552 VanDerWaalsContact C-N 3.33Å
553C89.7Confident87.8Confident37 Ų3730.1 Ų30.125%0.2516%0.161CC..  trans-71.6135.5171.6-104.80000109.8K475 D523 V548 D549 D551K475-C553 PolarHBondContact NZ-SG 3.05Å; D523-C553 WeakPolarHBondContact OD2-CA 3.37Å; V548-C553 WeakPolarHBondContact CA-O 3.33Å; D549-C553 PolarHBondContact N-O 3.26Å; D549-C553 VanDerWaalsContact OD1-CB 3.31Å; D549-C553 WeakPolarHBondContact OD1-CB 3.34Å; D549-C553 PolarHBondContact OD1-N 3.09Å; D549-C553 VanDerWaalsContact OD2-CB 3.3Å; D549-C553 WeakPolarHBondContact OD2-CB 3.49Å; D551-C553 PolarHBondContact O-N 3.23Å
554V96.4Very high86.5Confident0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-101.3133.7177.9-175.10000110.1L501 M520 D523 V524 C546 L547 V548L501-V554 HydrophobicContact CD1-CG2 4.27Å; L501-V554 HydrophobicContact CD2-CG1 4.13Å; M520-V554 HydrophobicContact CB-CG2 3.69Å; M520-V554 HydrophobicContact CG-CG2 3.61Å; D523-V554 HydrophobicContact CB-CB 3.91Å; D523-V554 PolarHBondContact OD2-N 2.63Å; V524-V554 HydrophobicContact CG2-CB 4.25Å; V524-V554 HydrophobicContact CG2-CG1 3.5Å; V524-V554 VanDerWaalsContact CG2-CG1 3.5Å; C546-V554 HydrophobicContact CB-CG1 3.7Å; L547-V554 CarbonylContact O-C 3.55Å; L547-V554 WeakPolarHBondContact O-CA 3.39Å; V548-V554 HydrophobicContact CG2-CG2 4.35Å
555K97.8Very high85Confident25 Ų2532.6 Ų32.611%0.10917%0.172CC..EExtended strand (participates in β ladder)trans-122.3136.8174.4-58.4-166.9179.8-163.80111.2P474 K475 V477 E494 I496 C546 L547P474-K555 WeakPolarHBondContact O-CE 3.23Å; P474-K555 PolarHBondContact O-NZ 3.17Å; K475-K555 CarbonylContact O-C 3.45Å; K475-K555 VanDerWaalsContact O-CA 3.29Å; K475-K555 WeakPolarHBondContact O-CA 3.44Å; V477-K555 HydrophobicContact CG2-CB 3.88Å; E494-K555 VanDerWaalsContact OE1-CD 3.3Å; E494-K555 WeakPolarHBondContact OE1-CD 3.41Å; E494-K555 IonicContact OE1-NZ 3.49Å; E494-K555 PolarHBondContact OE1-NZ 3.43Å; E494-K555 IonicContact OE2-NZ 3.55Å; E494-K555 PolarHBondContact OE2-NZ 3Å; I496-K555 HydrophobicContact CD1-CD 4.02Å; C546-K555 CarbonylContact C-O 3.57Å; C546-K555 VanDerWaalsContact CA-O 3.29Å; C546-K555 WeakPolarHBondContact CA-O 3.31Å; L547-K555 PolarHBondContact N-O 3.4Å; L547-K555 PolarHBondContact O-N 3.31Å
556V97.4Very high82.9Confident0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-75.6137.9174-173.80000109.7K475 L476 V477 V524 M528 H538 L541 F559K475-V556 PolarHBondContact O-N 3.15Å; L476-V556 HydrophobicContact CD2-CB 3.72Å; L476-V556 HydrophobicContact CD2-CG1 4.44Å; L476-V556 HydrophobicContact CD2-CG2 4.26Å; V477-V556 WeakPolarHBondContact CG2-O 3.35Å; V477-V556 PolarHBondContact N-O 3.25Å; V524-V556 HydrophobicContact CB-CG2 4.44Å; V524-V556 HydrophobicContact CG1-CG2 4.02Å; M528-V556 HydrophobicContact SD-CG1 4.23Å; H538-V556 WeakPolarHBondContact CD2-CG1 3.4Å; H538-V556 VanDerWaalsContact NE2-CG1 3.3Å; H538-V556 WeakPolarHBondContact NE2-CG1 3.31Å; L541-V556 HydrophobicContact CD1-CG1 4.15Å; V556-F559 HydrophobicContact CG1-CE1 4.33Å; V556-F559 WeakPolarHBondContact O-CZ 3.46Å
557S92.6Very high81.4Confident22 Ų2243 Ų4315%0.15423%0.227CC..  trans-137.1-176.6-173.6-161.20000111.7H538 N545H538-S557 PolarHBondContact NE2-O 3.38Å; N545-S557 CarbonylContact O-C 3.58Å; N545-S557 WeakPolarHBondContact O-CA 3.3Å; N545-S557 WeakPolarHBondContact O-CB 3.34Å; N545-S557 PolarHBondContact O-N 2.79Å
558D83.8Confident80Confident47 Ų4744 Ų4425%0.25123%0.233SC..  trans54.464178.3-153.814.9000114.3K449 N545 G560K449-D558 IonicContact NZ-OD1 3.03Å; K449-D558 PolarHBondContact NZ-OD1 2.94Å; N545-D558 HydrophobicContact CB-CB 4.35Å; D558-G560 PolarHBondContact O-N 3.02Å; D558-G560 VanDerWaalsContact O-N 3.1Å
559F81.3Confident78.9Confident11 Ų1150 Ų505%0.04826%0.261CS..G310 helixtrans-75.613.9177-52-68.6000114.1M468 L471 L476 L531 V556 M561 T562M468-F559 HydrophobicContact CG-CB 4.03Å; M468-F559 HydrophobicContact CG-CD2 4.24Å; L471-F559 HydrophobicContact CD1-CB 4.48Å; L471-F559 HydrophobicContact CD1-CD1 3.92Å; L471-F559 HydrophobicContact CD1-CD2 4.3Å; L471-F559 HydrophobicContact CD1-CE1 4.22Å; L471-F559 HydrophobicContact CD1-CG 3.97Å; L476-F559 HydrophobicContact CB-CZ 3.97Å; L476-F559 HydrophobicContact CD1-CZ 4.41Å; L476-F559 HydrophobicContact CD2-CE1 4.11Å; L476-F559 HydrophobicContact CD2-CZ 3.96Å; L476-F559 HydrophobicContact CG-CZ 4.32Å; L531-F559 HydrophobicContact CD1-CE1 4.27Å; V556-F559 HydrophobicContact CG1-CE1 4.33Å; V556-F559 WeakPolarHBondContact O-CZ 3.46Å; F559-M561 PolarHBondContact O-N 2.83Å; F559-M561 VanDerWaalsContact O-N 3.16Å; F559-T562 VanDerWaalsContact CA-OG1 3.25Å; F559-T562 WeakPolarHBondContact CA-OG1 3.34Å; F559-T562 WeakPolarHBondContact CB-OG1 3.42Å; F559-T562 WeakPolarHBondContact O-CB 3.07Å; F559-T562 PolarHBondContact O-N 3.33Å; F559-T562 PolarHBondContact O-OG1 3.41Å
560G69.3Low78.1Confident13 Ų1352.5 Ų52.513%0.13427%0.27CS..G310 helixtrans-68-15-176.600000115.1E464 D558E464-G560 WeakPolarHBondContact OE1-CA 3.4Å; D558-G560 PolarHBondContact O-N 3.02Å; D558-G560 VanDerWaalsContact O-N 3.1Å
561M67.9Low77.6Confident43 Ų4353.7 Ų53.721%0.21227%0.274CS..G310 helixtrans-103.6-5.6170.9-64.1-63.7-73.400112.7F432 R539 D540 F559F432-M561 HydrophobicContact CZ-SD 4.43Å; R539-M561 HydrophobicContact CB-CB 4.31Å; R539-M561 VanDerWaalsContact CD-O 3.29Å; R539-M561 WeakPolarHBondContact CD-O 3.37Å; R539-M561 PolarHBondContact NH1-O 2.81Å; D540-M561 HydrophobicContact CB-CB 4.46Å; F559-M561 PolarHBondContact O-N 2.83Å; F559-M561 VanDerWaalsContact O-N 3.16Å
562T77.1Confident77.1Confident2 Ų248.2 Ų48.21%0.01225%0.246CC..  trans-68.3140-174.5-60.10000111.1T467 F536 I537 F559T467-T562 HydrophobicContact CG2-CG2 3.97Å; F536-T562 HydrophobicContact CB-CG2 4.07Å; F536-T562 HydrophobicContact CD1-CG2 3.94Å; F536-T562 HydrophobicContact CG-CG2 4.4Å; I537-T562 CarbonylContact O-C 3.55Å; I537-T562 VanDerWaalsContact O-CA 3.23Å; I537-T562 WeakPolarHBondContact O-CA 3.27Å; F559-T562 VanDerWaalsContact CA-OG1 3.25Å; F559-T562 WeakPolarHBondContact CA-OG1 3.34Å; F559-T562 WeakPolarHBondContact CB-OG1 3.42Å; F559-T562 WeakPolarHBondContact O-CB 3.07Å; F559-T562 PolarHBondContact O-N 3.33Å; F559-T562 PolarHBondContact O-OG1 3.41Å
563R73.7Confident76.1Confident59 Ų5950 Ų5022%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-135.6138.5180-65.5-65.7-179-176.3-0.1110.9F536 I537 V565F536-R563 WeakPolarHBondContact CA-O 3.2Å; I537-R563 PolarHBondContact N-O 2.97Å; I537-R563 PolarHBondContact O-N 2.89Å; R563-V565 HydrophobicContact CB-CG2 4.03Å
564Y70.4Confident74.4Confident111 Ų11154.1 Ų54.144%0.43529%0.286SS..EExtended strand (participates in β ladder)trans-77.7125.1166.1-179.1-103000109.7Q535 F536 L566Q535-Y564 HydrophobicContact CB-CD2 4.37Å; Q535-Y564 HydrophobicContact CB-CE2 4.02Å; Q535-Y564 WeakPolarHBondContact O-CA 3.4Å; Q535-Y564 PolarHBondContact OE1-OH 2.95Å; F536-Y564 HydrophobicContact CD1-CD2 4.43Å; F536-Y564 HydrophobicContact CD2-CD2 4.48Å; F536-Y564 HydrophobicContact CE1-CD2 4.01Å; F536-Y564 HydrophobicContact CE1-CG 4.28Å; F536-Y564 HydrophobicContact CE2-CD2 4.07Å; F536-Y564 AromaticContact CZ-CD2 3.83Å; F536-Y564 HydrophobicContact CZ-CD2 3.83Å; F536-Y564 HydrophobicContact CZ-CG 4.44Å; Y564-L566 HydrophobicContact CE1-CD2 3.6Å; Y564-L566 HydrophobicContact CE1-CG 3.84Å; Y564-L566 WeakPolarHBondContact OH-CD2 3.08Å
565V64.9Low72.4Confident13 Ų1357.2 Ų57.28%0.07932%0.318CS..  trans-140.5108.1-172.5-173.80000110.5Q535 I537 R563 D567 D568 Q569Q535-V565 PolarHBondContact O-N 3.18Å; I537-V565 HydrophobicContact CD1-CB 3.92Å; I537-V565 HydrophobicContact CD1-CG1 4.26Å; I537-V565 HydrophobicContact CD1-CG2 3.71Å; I537-V565 HydrophobicContact CG1-CB 4.43Å; I537-V565 HydrophobicContact CG1-CG2 4.26Å; R563-V565 HydrophobicContact CB-CG2 4.03Å; V565-D567 VanDerWaalsContact C-N 3.31Å; V565-D567 WeakPolarHBondContact CG1-OD1 3.42Å; V565-D567 PolarHBondContact O-N 3.37Å; V565-D568 PolarHBondContact O-N 3.38Å; V565-Q569 VanDerWaalsContact CG1-N 3.34Å; V565-Q569 VanDerWaalsContact CG1-O 3.31Å; V565-Q569 WeakPolarHBondContact CG1-O 3.21Å
566L53Low70.8Confident121 Ų12158 Ų5863%0.63433%0.325SS*.THydrogen-bonded Turntrans-62.5-33.1-173.2-72.2169.3000114.3Q535 Y564Q535-L566 PolarHBondContact NE2-O 3.08Å; Y564-L566 HydrophobicContact CE1-CD2 3.6Å; Y564-L566 HydrophobicContact CE1-CG 3.84Å; Y564-L566 WeakPolarHBondContact OH-CD2 3.08Å
567D65.2Low69.5Low113 Ų11365.9 Ų65.960%0.60436%0.359SS*.THydrogen-bonded Turntrans-108.414.9-175.964.3-23.1000113.1V565 Q569V565-D567 VanDerWaalsContact C-N 3.31Å; V565-D567 WeakPolarHBondContact CG1-OD1 3.42Å; V565-D567 PolarHBondContact O-N 3.37Å; D567-Q569 PolarHBondContact O-N 3.17Å
568D68.9Low68.8Low54 Ų5467.2 Ų67.229%0.28936%0.362SS..SBendtrans52.126.2-178.6-166.337.8000114.1V565 S594 S595V565-D568 PolarHBondContact O-N 3.38Å; D568-S594 WeakPolarHBondContact O-CA 3.39Å; D568-S594 WeakPolarHBondContact O-CB 3.12Å; D568-S595 WeakPolarHBondContact OD1-CB 3.33Å; D568-S595 PolarHBondContact OD1-N 3.2Å; D568-S595 PolarHBondContact OD1-OG 3.4Å; D568-S595 WeakPolarHBondContact OD2-CB 3.48Å; D568-S595 PolarHBondContact OD2-N 3.13Å; D568-S595 PolarHBondContact OD2-OG 3.32Å
569Q70.4Confident69.1Low128 Ų12866.2 Ų66.260%0.59836%0.358SS*.  trans-134.9119.1177.4-69.2-17140.400111.3V565 D567V565-Q569 VanDerWaalsContact CG1-N 3.34Å; V565-Q569 VanDerWaalsContact CG1-O 3.31Å; V565-Q569 WeakPolarHBondContact CG1-O 3.21Å; D567-Q569 PolarHBondContact O-N 3.17Å
570Y71.1Confident69.7Low63 Ų6366.7 Ų66.725%0.24736%0.362CS..EExtended strand (participates in β ladder)trans-127.2130.4175.7173.5-102.6000110.8K592 Y593Y570-K592 CarbonylContact O-C 3.2Å; Y570-K592 WeakPolarHBondContact O-CA 3.29Å; Y570-Y593 AromaticContact CD1-CD2 3.96Å; Y570-Y593 HydrophobicContact CD1-CD2 3.96Å; Y570-Y593 HydrophobicContact CD1-CG 4.4Å; Y570-Y593 HydrophobicContact CE1-CD2 4.41Å; Y570-Y593 PolarHBondContact N-O 3.34Å; Y570-Y593 PolarHBondContact O-N 3.45Å
571V74.3Confident71Confident91 Ų9166.6 Ų66.655%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-108.6115.1174.1-173.60000108.8F591 K592V571-F591 WeakPolarHBondContact CA-O 3.37Å; V571-K592 HydrophobicContact CG2-CG 4.14Å
572S69.3Low72.5Confident8 Ų866 Ų666%0.05635%0.353CS..PPolyproline II helixtrans-76.7154.4176.4-162.50000111.7T576 F591S572-T576 PolarHBondContact OG-OG1 2.87Å; S572-T576 VanDerWaalsContact OG-OG1 3.08Å; S572-F591 PolarHBondContact N-O 3.24Å; S572-F591 WeakPolarHBondContact O-CB 3.48Å
573S63.8Low73.4Confident89 Ų8966.4 Ų66.462%0.62236%0.356SS*.PPolyproline II helixtrans-57.9144.5172.7-59.50000111.8G575 T576S573-G575 PolarHBondContact O-N 3.04Å; S573-T576 PolarHBondContact O-N 2.85Å; S573-T576 PolarHBondContact O-OG1 2.85Å
574V53.3Low74.4Confident124 Ų12463.6 Ų63.675%0.75235%0.345SS*.THydrogen-bonded Turntrans-64.4129177.3179.60000109.6F591V574-F591 HydrophobicContact CG1-CE2 4.44Å
575G54.8Low75.4Confident64 Ų6458.8 Ų58.866%0.6633%0.328SS*.THydrogen-bonded Turntrans98.5-3.3-179.800000114.9S573 K577S573-G575 PolarHBondContact O-N 3.04Å; G575-K577 PolarHBondContact O-N 3.31Å
576T63.3Low76.6Confident42 Ų4259.1 Ų59.126%0.25833%0.329SS..  trans-60.1129.3169.4-53.60000109.7S572 S573 F578S572-T576 PolarHBondContact OG-OG1 2.87Å; S572-T576 VanDerWaalsContact OG-OG1 3.08Å; S573-T576 PolarHBondContact O-N 2.85Å; S573-T576 PolarHBondContact O-OG1 2.85Å; T576-F578 WeakPolarHBondContact O-CD1 3.14Å
577K70.1Confident78.3Confident165 Ų16553.5 Ų53.572%0.71730%0.299SS*.  trans-70.5139.7173.7-65.9-178.7-179.4176.80109.6G575G575-K577 PolarHBondContact O-N 3.31Å
578F78.9Confident79.1Confident50 Ų5049.1 Ų49.122%0.21928%0.275CS..  trans-146.2157.2179.661.5-96.4000110.9T576 V580 S583 V587 F588 F591 Y593T576-F578 WeakPolarHBondContact O-CD1 3.14Å; F578-V580 HydrophobicContact CD2-CG2 4.16Å; F578-V580 HydrophobicContact CE2-CB 4.32Å; F578-V580 HydrophobicContact CE2-CG2 3.67Å; F578-V580 HydrophobicContact CZ-CG2 4.32Å; F578-V580 PolarHBondContact O-N 3.16Å; F578-S583 WeakPolarHBondContact CD2-OG 3.46Å; F578-V587 HydrophobicContact CD2-CG1 4.45Å; F578-F588 HydrophobicContact CE2-CB 3.42Å; F578-F588 VanDerWaalsContact CE2-CB 3.42Å; F578-F588 HydrophobicContact CZ-CB 3.55Å; F578-F591 HydrophobicContact CD1-CD1 4.26Å; F578-F591 AromaticContact CD1-CE1 3.89Å; F578-F591 HydrophobicContact CD1-CE1 3.89Å; F578-F591 HydrophobicContact CE1-CD1 4.2Å; F578-F591 AromaticContact CE1-CE1 3.57Å; F578-F591 HydrophobicContact CE1-CE1 3.57Å; F578-F591 HydrophobicContact CE1-CZ 4.26Å; F578-Y593 VanDerWaalsContact CB-OH 3.3Å; F578-Y593 WeakPolarHBondContact CB-OH 3.32Å
579P90.9Very high79.5Confident27 Ų2749.4 Ų49.418%0.17527%0.274CS..  trans-77.984-177.135.8-42000111.6D540 R544 K581 W582 S583D540-P579 VanDerWaalsContact OD1-CG 3.27Å; D540-P579 WeakPolarHBondContact OD1-CG 3.49Å; R544-P579 VanDerWaalsContact NH2-CB 3.27Å; P579-K581 VanDerWaalsContact C-N 3.26Å; P579-K581 PolarHBondContact O-N 3.31Å; P579-W582 HydrophobicContact CB-CB 4.42Å; P579-W582 HydrophobicContact CB-CE3 4.03Å; P579-W582 HydrophobicContact CG-CB 4.42Å; P579-W582 PolarHBondContact O-N 3.39Å; P579-S583 PolarHBondContact O-N 3.34Å; P579-S583 VanDerWaalsContact O-N 3.16Å; P579-S583 PolarHBondContact O-OG 3.47Å
580V93.4Very high79.6Confident20 Ų2046 Ų4612%0.12126%0.256CS..G310 helixtrans-43.5-47.2-172.8178.70000113.9F578 W582 S583 N622 V626F578-V580 HydrophobicContact CD2-CG2 4.16Å; F578-V580 HydrophobicContact CE2-CB 4.32Å; F578-V580 HydrophobicContact CE2-CG2 3.67Å; F578-V580 HydrophobicContact CZ-CG2 4.32Å; F578-V580 PolarHBondContact O-N 3.16Å; V580-W582 VanDerWaalsContact C-N 3.26Å; V580-W582 PolarHBondContact O-N 3.01Å; V580-S583 PolarHBondContact O-N 3.03Å; V580-N622 HydrophobicContact CB-CB 4.05Å; V580-N622 HydrophobicContact CG1-CB 3.95Å; V580-N622 HydrophobicContact CG2-CB 4.05Å; V580-V626 HydrophobicContact CG1-CG2 3.7Å
581K97.3Very high80.1Confident12 Ų1244.8 Ų44.85%0.05225%0.253CS..G310 helixtrans-70.9-15.9-174.6-65.5180164.5-149.10115P579 P616 Y617 Y620 V625P579-K581 VanDerWaalsContact C-N 3.26Å; P579-K581 PolarHBondContact O-N 3.31Å; K581-P616 HydrophobicContact CB-CB 4.43Å; K581-P616 VanDerWaalsContact CD-O 3.31Å; K581-P616 WeakPolarHBondContact CD-O 3.21Å; K581-P616 PolarHBondContact NZ-O 3.26Å; K581-Y617 HydrophobicContact CB-CD2 4.41Å; K581-Y617 PolarHBondContact NZ-O 3.24Å; K581-Y620 WeakPolarHBondContact CE-O 3.23Å; K581-Y620 PolarHBondContact NZ-O 3.21Å; K581-V625 HydrophobicContact CG-CG1 4.43Å; K581-V625 HydrophobicContact CG-CG2 4.25Å
582W97.9Very high80.5Confident31 Ų3144.8 Ų44.812%0.11725%0.245CC..G310 helixtrans-104.7-9.2175.1-69.1-100.9000112.3A542 P579 V580 I604 E608 P616A542-W582 HydrophobicContact CB-CD2 4.3Å; A542-W582 HydrophobicContact CB-CG 4.14Å; P579-W582 HydrophobicContact CB-CB 4.42Å; P579-W582 HydrophobicContact CB-CE3 4.03Å; P579-W582 HydrophobicContact CG-CB 4.42Å; P579-W582 PolarHBondContact O-N 3.39Å; V580-W582 VanDerWaalsContact C-N 3.26Å; V580-W582 PolarHBondContact O-N 3.01Å; W582-I604 VanDerWaalsContact CD1-CG2 3.48Å; W582-I604 HydrophobicContact CG-CG2 4.04Å; W582-E608 WeakPolarHBondContact CZ2-OE1 3.38Å; W582-E608 VanDerWaalsContact NE1-CD 3.34Å; W582-E608 PolarHBondContact NE1-OE2 3.36Å; W582-P616 HydrophobicContact CH2-CG 4.49Å; W582-P616 HydrophobicContact CZ2-CG 3.9Å
583S95.9Very high81.4Confident9 Ų944.7 Ų44.76%0.06324%0.244CC..  trans-84.8137.9-172-63.60000111.5F578 P579 V580 F588 W600F578-S583 WeakPolarHBondContact CD2-OG 3.46Å; P579-S583 PolarHBondContact O-N 3.34Å; P579-S583 VanDerWaalsContact O-N 3.16Å; P579-S583 PolarHBondContact O-OG 3.47Å; V580-S583 PolarHBondContact O-N 3.03Å; S583-F588 WeakPolarHBondContact O-CD1 3.24Å; S583-F588 WeakPolarHBondContact O-CE1 3.3Å; S583-W600 PolarHBondContact O-NE1 3.06Å
584A96.1Very high82.8Confident0 Ų041.2 Ų41.20%022%0.219CC..  trans-68.1158.4173.100000112E586 V587 F588 W600A584-E586 VanDerWaalsContact C-N 3.27Å; A584-E586 VanDerWaalsContact CB-CD 3.48Å; A584-E586 VanDerWaalsContact CB-OE1 3.3Å; A584-E586 WeakPolarHBondContact CB-OE1 3.43Å; A584-E586 WeakPolarHBondContact CB-OE2 3.47Å; A584-E586 PolarHBondContact O-N 3.37Å; A584-V587 HydrophobicContact CB-CG2 4.23Å; A584-V587 WeakPolarHBondContact O-CA 3.35Å; A584-V587 WeakPolarHBondContact O-CB 3.34Å; A584-V587 PolarHBondContact O-N 3.33Å; A584-F588 WeakPolarHBondContact O-CD1 3.49Å; A584-F588 PolarHBondContact O-N 3.08Å; A584-W600 HydrophobicContact CB-CB 3.75Å; A584-W600 HydrophobicContact CB-CD2 3.86Å; A584-W600 HydrophobicContact CB-CE3 4.2Å; A584-W600 HydrophobicContact CB-CG 3.64Å
585P90.3Very high84.8Confident11 Ų1135.6 Ų35.67%0.07119%0.185CC..Hα-helixtrans-52.4-41.4179.2-26.534.2000114.3V587 F588 H589 W600 V629P585-V587 VanDerWaalsContact C-N 3.27Å; P585-V587 PolarHBondContact O-N 2.95Å; P585-F588 VanDerWaalsContact CA-CZ 3.44Å; P585-F588 HydrophobicContact CB-CE1 4.46Å; P585-F588 HydrophobicContact CB-CE2 4.45Å; P585-F588 HydrophobicContact CB-CZ 4.04Å; P585-F588 HydrophobicContact CG-CZ 4.3Å; P585-H589 VanDerWaalsContact O-CB 3.31Å; P585-H589 WeakPolarHBondContact O-CB 3.27Å; P585-H589 VanDerWaalsContact O-CG 3.3Å; P585-H589 PolarHBondContact O-N 3.18Å; P585-H589 PolarHBondContact O-ND1 3.49Å; P585-W600 VanDerWaalsContact CD-CZ3 3.48Å; P585-W600 HydrophobicContact CG-CH2 3.77Å; P585-W600 HydrophobicContact CG-CZ2 4.37Å; P585-W600 HydrophobicContact CG-CZ3 3.93Å; P585-V629 HydrophobicContact CG-CG1 4.01Å
586E89.4Confident86.9Confident20 Ų2034.1 Ų34.19%0.09316%0.161CC..Hα-helixtrans-69.2-24.5178.469.8-80.3-171.400113.4A584 Y590 F591 K592 P657 R660A584-E586 VanDerWaalsContact C-N 3.27Å; A584-E586 VanDerWaalsContact CB-CD 3.48Å; A584-E586 VanDerWaalsContact CB-OE1 3.3Å; A584-E586 WeakPolarHBondContact CB-OE1 3.43Å; A584-E586 WeakPolarHBondContact CB-OE2 3.47Å; A584-E586 PolarHBondContact O-N 3.37Å; E586-Y590 HydrophobicContact CB-CD2 4.01Å; E586-Y590 CarbonylContact O-C 3.5Å; E586-Y590 WeakPolarHBondContact O-CA 3.4Å; E586-Y590 WeakPolarHBondContact O-CB 3.16Å; E586-Y590 PolarHBondContact O-N 2.95Å; E586-F591 PolarHBondContact O-N 3.2Å; E586-K592 HydrophobicContact CB-CB 4.38Å; E586-K592 HydrophobicContact CG-CB 4.35Å; E586-K592 PolarHBondContact O-N 3.05Å; E586-P657 HydrophobicContact CG-CG 4.23Å; E586-R660 IonicContact OE1-CZ 2.72Å; E586-R660 IonicContact OE1-NH1 3.73Å; E586-R660 PolarHBondContact OE1-NH1 3.02Å; E586-R660 IonicContact OE1-NH2 3.14Å; E586-R660 PolarHBondContact OE1-NH2 2.88Å; E586-R660 IonicContact OE2-CZ 2.61Å; E586-R660 IonicContact OE2-NH1 3.28Å; E586-R660 IonicContact OE2-NH2 2.77Å; E586-R660 PolarHBondContact OE2-NH2 2.88Å
587V88.9Confident88.5Confident3 Ų332.4 Ų32.42%0.01815%0.151CC..Hα-helixtrans-73.1-53175.6174.40000109.8F578 A584 P585 F591 K592 Y593F578-V587 HydrophobicContact CD2-CG1 4.45Å; A584-V587 HydrophobicContact CB-CG2 4.23Å; A584-V587 WeakPolarHBondContact O-CA 3.35Å; A584-V587 WeakPolarHBondContact O-CB 3.34Å; A584-V587 PolarHBondContact O-N 3.33Å; P585-V587 VanDerWaalsContact C-N 3.27Å; P585-V587 PolarHBondContact O-N 2.95Å; V587-F591 WeakPolarHBondContact O-CA 3.35Å; V587-F591 PolarHBondContact O-N 3.38Å; V587-K592 WeakPolarHBondContact CG2-O 3.48Å; V587-Y593 HydrophobicContact CG1-CD1 4.25Å; V587-Y593 HydrophobicContact CG1-CE1 3.56Å; V587-Y593 HydrophobicContact CG1-CE2 3.98Å; V587-Y593 WeakPolarHBondContact CG1-OH 3.41Å; V587-Y593 HydrophobicContact CG2-CD1 4.01Å; V587-Y593 HydrophobicContact CG2-CE1 4.13Å; V587-Y593 HydrophobicContact CG2-CG 4.41Å
588F82.8Confident89.9Confident20 Ų2024.8 Ų24.89%0.08812%0.117CC..Hα-helixtrans-78.3-22.7-174.858.4-113.2000114.1F578 S583 A584 P585 V626 V629F578-F588 HydrophobicContact CE2-CB 3.42Å; F578-F588 VanDerWaalsContact CE2-CB 3.42Å; F578-F588 HydrophobicContact CZ-CB 3.55Å; S583-F588 WeakPolarHBondContact O-CD1 3.24Å; S583-F588 WeakPolarHBondContact O-CE1 3.3Å; A584-F588 WeakPolarHBondContact O-CD1 3.49Å; A584-F588 PolarHBondContact O-N 3.08Å; P585-F588 VanDerWaalsContact CA-CZ 3.44Å; P585-F588 HydrophobicContact CB-CE1 4.46Å; P585-F588 HydrophobicContact CB-CE2 4.45Å; P585-F588 HydrophobicContact CB-CZ 4.04Å; P585-F588 HydrophobicContact CG-CZ 4.3Å; F588-V626 HydrophobicContact CB-CG2 4.38Å; F588-V626 HydrophobicContact CD2-CB 4.29Å; F588-V626 HydrophobicContact CD2-CG1 3.77Å; F588-V626 HydrophobicContact CD2-CG2 3.89Å; F588-V626 HydrophobicContact CE2-CB 4.2Å; F588-V626 HydrophobicContact CE2-CG1 3.72Å; F588-V626 HydrophobicContact CE2-CG2 4.21Å; F588-V626 HydrophobicContact CG-CG2 4.07Å; F588-V629 HydrophobicContact CE1-CG1 4.16Å; F588-V629 HydrophobicContact CZ-CB 4.13Å; F588-V629 HydrophobicContact CZ-CG1 3.93Å
589H76.9Confident90.8Very high60 Ų6022.4 Ų22.428%0.27811%0.107SC..Hα-helixtrans-85.8-35.7172.1-66.1126.4000113.6P585 S630P585-H589 VanDerWaalsContact O-CB 3.31Å; P585-H589 WeakPolarHBondContact O-CB 3.27Å; P585-H589 VanDerWaalsContact O-CG 3.3Å; P585-H589 PolarHBondContact O-N 3.18Å; P585-H589 PolarHBondContact O-ND1 3.49Å; H589-S630 PolarHBondContact CE1-OG 2.78Å; H589-S630 PolarHBondContact NE2-OG 2.99Å; H589-S630 VanDerWaalsContact NE2-OG 3.17Å
590Y73.1Confident91.2Very high56 Ų5621.1 Ų21.122%0.2210%0.099CC..Hα-helixtrans-1290.7-165.1-45.3-51.8000114.5I122 L149 E586 K592I122-Y590 HydrophobicContact CG2-CE1 4.03Å; L149-Y590 HydrophobicContact CD1-CE1 3.63Å; L149-Y590 WeakPolarHBondContact CD1-OH 3.18Å; E586-Y590 HydrophobicContact CB-CD2 4.01Å; E586-Y590 CarbonylContact O-C 3.5Å; E586-Y590 WeakPolarHBondContact O-CA 3.4Å; E586-Y590 WeakPolarHBondContact O-CB 3.16Å; E586-Y590 PolarHBondContact O-N 2.95Å; Y590-K592 PolarHBondContact O-N 3.39Å; Y590-K592 VanDerWaalsContact O-N 3.15Å
591F80.9Confident91.5Very high39 Ų3920.5 Ų20.517%0.17110%0.095CC..  trans53.926-174-58-87000113V571 S572 V574 F578 E586 V587 Y593V571-F591 WeakPolarHBondContact CA-O 3.37Å; S572-F591 PolarHBondContact N-O 3.24Å; S572-F591 WeakPolarHBondContact O-CB 3.48Å; V574-F591 HydrophobicContact CG1-CE2 4.44Å; F578-F591 HydrophobicContact CD1-CD1 4.26Å; F578-F591 AromaticContact CD1-CE1 3.89Å; F578-F591 HydrophobicContact CD1-CE1 3.89Å; F578-F591 HydrophobicContact CE1-CD1 4.2Å; F578-F591 AromaticContact CE1-CE1 3.57Å; F578-F591 HydrophobicContact CE1-CE1 3.57Å; F578-F591 HydrophobicContact CE1-CZ 4.26Å; E586-F591 PolarHBondContact O-N 3.2Å; V587-F591 WeakPolarHBondContact O-CA 3.35Å; V587-F591 PolarHBondContact O-N 3.38Å; F591-Y593 WeakPolarHBondContact O-CD2 3.49Å
592K82.2Confident91.5Very high91 Ų9119.9 Ų19.940%0.3969%0.093SC..EExtended strand (participates in β ladder)trans-90.6115.1-178.4-74.4-174.1171.7-163.30110Y570 V571 E586 V587 Y590Y570-K592 CarbonylContact O-C 3.2Å; Y570-K592 WeakPolarHBondContact O-CA 3.29Å; V571-K592 HydrophobicContact CG2-CG 4.14Å; E586-K592 HydrophobicContact CB-CB 4.38Å; E586-K592 HydrophobicContact CG-CB 4.35Å; E586-K592 PolarHBondContact O-N 3.05Å; V587-K592 WeakPolarHBondContact CG2-O 3.48Å; Y590-K592 PolarHBondContact O-N 3.39Å; Y590-K592 VanDerWaalsContact O-N 3.15Å
593Y89.6Confident91.6Very high6 Ų618.4 Ų18.42%0.0249%0.087CC..EExtended strand (participates in β ladder)trans-106.7145.5174.1-64.2-95.1000109.9R539 Y570 F578 V587 F591 S597R539-Y593 HydrophobicContact CB-CD1 3.7Å; R539-Y593 HydrophobicContact CB-CE1 3.79Å; R539-Y593 HydrophobicContact CB-CG 4.49Å; R539-Y593 HydrophobicContact CG-CD1 3.55Å; R539-Y593 HydrophobicContact CG-CE1 4.14Å; R539-Y593 HydrophobicContact CG-CG 3.93Å; Y570-Y593 AromaticContact CD1-CD2 3.96Å; Y570-Y593 HydrophobicContact CD1-CD2 3.96Å; Y570-Y593 HydrophobicContact CD1-CG 4.4Å; Y570-Y593 HydrophobicContact CE1-CD2 4.41Å; Y570-Y593 PolarHBondContact N-O 3.34Å; Y570-Y593 PolarHBondContact O-N 3.45Å; F578-Y593 VanDerWaalsContact CB-OH 3.3Å; F578-Y593 WeakPolarHBondContact CB-OH 3.32Å; V587-Y593 HydrophobicContact CG1-CD1 4.25Å; V587-Y593 HydrophobicContact CG1-CE1 3.56Å; V587-Y593 HydrophobicContact CG1-CE2 3.98Å; V587-Y593 WeakPolarHBondContact CG1-OH 3.41Å; V587-Y593 HydrophobicContact CG2-CD1 4.01Å; V587-Y593 HydrophobicContact CG2-CE1 4.13Å; V587-Y593 HydrophobicContact CG2-CG 4.41Å; F591-Y593 WeakPolarHBondContact O-CD2 3.49Å; Y593-S597 WeakPolarHBondContact CA-OG 3.27Å
594S92.4Very high91.7Very high15 Ų1518 Ų1811%0.1058%0.084CC..  trans-157.1170.317656.60000108.9D568 K596 S597 D598D568-S594 WeakPolarHBondContact O-CA 3.39Å; D568-S594 WeakPolarHBondContact O-CB 3.12Å; S594-K596 PolarHBondContact O-N 3.02Å; S594-K596 VanDerWaalsContact O-N 3.13Å; S594-K596 PolarHBondContact OG-N 3.04Å; S594-S597 PolarHBondContact N-OG 3.24Å; S594-S597 WeakPolarHBondContact O-CB 3.42Å; S594-S597 PolarHBondContact O-N 2.85Å; S594-S597 PolarHBondContact O-OG 2.98Å; S594-S597 PolarHBondContact OG-N 3.49Å; S594-D598 PolarHBondContact O-N 3Å
595S96.1Very high91.9Very high7 Ų718 Ų185%0.0498%0.084CC..Hα-helixtrans-47.6-38.3165.464.90000111.6D568 S597 D598 V599D568-S595 WeakPolarHBondContact OD1-CB 3.33Å; D568-S595 PolarHBondContact OD1-N 3.2Å; D568-S595 PolarHBondContact OD1-OG 3.4Å; D568-S595 WeakPolarHBondContact OD2-CB 3.48Å; D568-S595 PolarHBondContact OD2-N 3.13Å; D568-S595 PolarHBondContact OD2-OG 3.32Å; S595-S597 VanDerWaalsContact C-N 3.32Å; S595-S597 PolarHBondContact O-N 3.48Å; S595-D598 WeakPolarHBondContact O-CB 3.33Å; S595-D598 PolarHBondContact O-N 3.45Å; S595-D598 VanDerWaalsContact O-N 3.08Å; S595-V599 WeakPolarHBondContact O-CG2 3.34Å; S595-V599 PolarHBondContact O-N 2.81Å
596K98.3Very high92.3Very high33 Ų3317.5 Ų17.514%0.1438%0.081CC..Hα-helixtrans-69.2-26179.1-56-56.9-178.6172.30114S594 W600 P657 R660 P661S594-K596 PolarHBondContact O-N 3.02Å; S594-K596 VanDerWaalsContact O-N 3.13Å; S594-K596 PolarHBondContact OG-N 3.04Å; K596-W600 PolarHBondContact O-N 2.82Å; K596-P657 HydrophobicContact CB-CB 3.83Å; K596-P657 HydrophobicContact CG-CB 4.37Å; K596-P657 WeakPolarHBondContact CG-O 3.5Å; K596-R660 HydrophobicContact CD-CB 4.36Å; K596-R660 PolarHBondContact NZ-O 2.95Å; K596-R660 WeakPolarHBondContact O-CD 3.44Å; K596-R660 PolarHBondContact O-NH1 3Å; K596-P661 PolarHBondContact NZ-O 2.88Å
597S97.8Very high92.7Very high6 Ų616.6 Ų16.64%0.0428%0.077CC..Hα-helixtrans-74.3-32.6170.468.40000112Y593 S594 S595 W600 A601Y593-S597 WeakPolarHBondContact CA-OG 3.27Å; S594-S597 PolarHBondContact N-OG 3.24Å; S594-S597 WeakPolarHBondContact O-CB 3.42Å; S594-S597 PolarHBondContact O-N 2.85Å; S594-S597 PolarHBondContact O-OG 2.98Å; S594-S597 PolarHBondContact OG-N 3.49Å; S595-S597 VanDerWaalsContact C-N 3.32Å; S595-S597 PolarHBondContact O-N 3.48Å; S597-W600 WeakPolarHBondContact O-CB 3.33Å; S597-W600 PolarHBondContact O-N 3.01Å; S597-A601 PolarHBondContact O-N 2.98Å
598D98.4Very high93.2Very high4 Ų416.5 Ų16.52%0.0218%0.076CC..Hα-helixtrans-71.6-34.6172-74.7-21.2000111.6M528 I537 H538 R539 S594 S595 W600 A601 F602 F663M528-D598 HydrophobicContact CE-CB 3.74Å; I537-D598 WeakPolarHBondContact CA-OD2 3.1Å; I537-D598 VanDerWaalsContact CG2-OD2 3.3Å; I537-D598 WeakPolarHBondContact CG2-OD2 3.27Å; H538-D598 PolarHBondContact N-OD2 2.84Å; R539-D598 PolarHBondContact N-OD1 2.83Å; S594-D598 PolarHBondContact O-N 3Å; S595-D598 WeakPolarHBondContact O-CB 3.33Å; S595-D598 PolarHBondContact O-N 3.45Å; S595-D598 VanDerWaalsContact O-N 3.08Å; D598-W600 VanDerWaalsContact C-N 3.3Å; D598-W600 PolarHBondContact O-N 2.81Å; D598-A601 CarbonylContact O-C 3.56Å; D598-A601 WeakPolarHBondContact O-CB 3.4Å; D598-A601 PolarHBondContact O-N 3.27Å; D598-A601 VanDerWaalsContact O-N 3.16Å; D598-F602 WeakPolarHBondContact O-CB 3.33Å; D598-F602 PolarHBondContact O-N 2.7Å; D598-F663 HydrophobicContact CB-CE2 3.99Å; D598-F663 HydrophobicContact CB-CZ 4.1Å
599V98.8Very high93.9Very high0 Ų015.6 Ų15.60%07%0.072CC..Hα-helixtrans-58.5-43.3171.91690000110.9S595 A601 F602 G603 C652 R660 P661 F663 L666S595-V599 WeakPolarHBondContact O-CG2 3.34Å; S595-V599 PolarHBondContact O-N 2.81Å; V599-A601 PolarHBondContact O-N 3.3Å; V599-F602 WeakPolarHBondContact O-CB 3.42Å; V599-F602 PolarHBondContact O-N 3.43Å; V599-G603 PolarHBondContact O-N 2.76Å; V599-C652 HydrophobicContact CG1-CB 3.97Å; V599-C652 WeakPolarHBondContact O-CB 3.47Å; V599-R660 HydrophobicContact CG1-CB 3.96Å; V599-P661 HydrophobicContact CG1-CG 4.28Å; V599-P661 WeakPolarHBondContact CG2-O 3.43Å; V599-F663 HydrophobicContact CG2-CD2 3.88Å; V599-F663 HydrophobicContact CG2-CE2 3.63Å; V599-F663 HydrophobicContact CG2-CG 4.43Å; V599-F663 HydrophobicContact CG2-CZ 3.98Å; V599-L666 HydrophobicContact CG1-CD1 4.15Å
600W98.8Very high95Very high1 Ų112.7 Ų12.70%0.0046%0.059CC..Hα-helixtrans-58.1-48.8173.6178.8-73.5000111.5S583 A584 P585 K596 S597 D598 F602 G603 I604 V629 R634 C652 W653S583-W600 PolarHBondContact O-NE1 3.06Å; A584-W600 HydrophobicContact CB-CB 3.75Å; A584-W600 HydrophobicContact CB-CD2 3.86Å; A584-W600 HydrophobicContact CB-CE3 4.2Å; A584-W600 HydrophobicContact CB-CG 3.64Å; P585-W600 VanDerWaalsContact CD-CZ3 3.48Å; P585-W600 HydrophobicContact CG-CH2 3.77Å; P585-W600 HydrophobicContact CG-CZ2 4.37Å; P585-W600 HydrophobicContact CG-CZ3 3.93Å; K596-W600 PolarHBondContact O-N 2.82Å; S597-W600 WeakPolarHBondContact O-CB 3.33Å; S597-W600 PolarHBondContact O-N 3.01Å; D598-W600 VanDerWaalsContact C-N 3.3Å; D598-W600 PolarHBondContact O-N 2.81Å; W600-F602 VanDerWaalsContact C-N 3.28Å; W600-F602 PolarHBondContact O-N 3.06Å; W600-G603 PolarHBondContact O-N 2.07Å; W600-G603 VanDerWaalsContact O-N 3.15Å; W600-I604 PolarHBondContact O-N 3.35Å; W600-V629 HydrophobicContact CH2-CG1 3.71Å; W600-V629 HydrophobicContact CZ2-CG1 3.56Å; W600-R634 VanDerWaalsContact CH2-CZ 3.49Å; W600-C652 WeakPolarHBondContact CA-O 3.33Å; W600-W653 HydrophobicContact CD2-CB 4.46Å; W600-W653 AromaticContact CD2-CD1 3.7Å; W600-W653 HydrophobicContact CD2-CG 4.43Å; W600-W653 AromaticContact CE2-CD1 3.82Å; W600-W653 HydrophobicContact CE3-CB 4.06Å; W600-W653 HydrophobicContact CE3-CG 4.49Å; W600-W653 AromaticContact CG-CD1 3.95Å; W600-W653 HydrophobicContact CH2-CB 4.05Å; W600-W653 HydrophobicContact CZ2-CB 4.43Å; W600-W653 HydrophobicContact CZ3-CB 3.85Å; W600-W653 WeakPolarHBondContact CZ3-O 3.37Å; W600-W653 PolarHBondContact O-NE1 3.31Å
601A98.7Very high96.2Very high6 Ų610.4 Ų10.45%0.055%0.051CC..Hα-helixtrans-61.5-36.5178.400000112L541 S597 D598 V599 I604 L605L541-A601 HydrophobicContact CB-CB 4.03Å; S597-A601 PolarHBondContact O-N 2.98Å; D598-A601 CarbonylContact O-C 3.56Å; D598-A601 WeakPolarHBondContact O-CB 3.4Å; D598-A601 PolarHBondContact O-N 3.27Å; D598-A601 VanDerWaalsContact O-N 3.16Å; V599-A601 PolarHBondContact O-N 3.3Å; A601-I604 WeakPolarHBondContact O-CB 3.22Å; A601-I604 PolarHBondContact O-N 2.78Å; A601-I604 VanDerWaalsContact O-N 3.17Å; A601-L605 PolarHBondContact O-N 3.27Å
602F98.9Very high97Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-62.4-41.6173.4176.7-105.8000112.2C521 V524 C525 L541 D598 V599 W600 I604 L605 M606 F663 L666 I670C521-F602 WeakPolarHBondContact O-CE2 3.23Å; V524-F602 HydrophobicContact CB-CE2 4.25Å; V524-F602 HydrophobicContact CG1-CD2 3.95Å; V524-F602 HydrophobicContact CG1-CE2 4.01Å; C525-F602 HydrophobicContact CB-CE1 4.41Å; C525-F602 HydrophobicContact CB-CE2 3.85Å; C525-F602 HydrophobicContact CB-CZ 3.6Å; L541-F602 HydrophobicContact CD2-CB 3.76Å; L541-F602 HydrophobicContact CD2-CD2 4.35Å; D598-F602 WeakPolarHBondContact O-CB 3.33Å; D598-F602 PolarHBondContact O-N 2.7Å; V599-F602 WeakPolarHBondContact O-CB 3.42Å; V599-F602 PolarHBondContact O-N 3.43Å; W600-F602 VanDerWaalsContact C-N 3.28Å; W600-F602 PolarHBondContact O-N 3.06Å; F602-I604 VanDerWaalsContact C-N 3.28Å; F602-I604 PolarHBondContact O-N 3.16Å; F602-L605 WeakPolarHBondContact O-CB 3.41Å; F602-L605 PolarHBondContact O-N 2.97Å; F602-L605 VanDerWaalsContact O-N 3.12Å; F602-M606 HydrophobicContact CD1-CG 4.24Å; F602-M606 HydrophobicContact CD1-SD 4.05Å; F602-M606 HydrophobicContact CE1-CG 3.79Å; F602-M606 HydrophobicContact CE1-SD 3.37Å; F602-M606 WeakPolarHBondContact CE1-SD 3.36Å; F602-M606 HydrophobicContact CE2-CG 4.18Å; F602-M606 HydrophobicContact CZ-CG 3.74Å; F602-M606 HydrophobicContact CZ-SD 3.79Å; F602-M606 WeakPolarHBondContact O-CG 3.34Å; F602-M606 PolarHBondContact O-N 3.04Å; F602-F663 HydrophobicContact CB-CE1 3.65Å; F602-F663 HydrophobicContact CB-CZ 3.99Å; F602-F663 HydrophobicContact CD1-CE1 4.16Å; F602-F663 HydrophobicContact CD2-CE1 4.11Å; F602-F663 AromaticContact CG-CE1 3.71Å; F602-F663 HydrophobicContact CG-CE1 3.71Å; F602-L666 HydrophobicContact CD1-CD1 3.71Å; F602-L666 HydrophobicContact CE1-CD1 3.92Å; F602-I670 HydrophobicContact CE1-CD1 4.35Å; F602-I670 HydrophobicContact CZ-CD1 4.14Å
603G98.8Very high97.8Very high0 Ų05.9 Ų5.90%03%0.033CC..Hα-helixtrans-57.9-41.8172.300000112.3V599 W600 M606 W607 W653V599-G603 PolarHBondContact O-N 2.76Å; W600-G603 PolarHBondContact O-N 2.07Å; W600-G603 VanDerWaalsContact O-N 3.15Å; G603-M606 PolarHBondContact O-N 3.42Å; G603-W607 PolarHBondContact O-N 2.92Å; G603-W607 VanDerWaalsContact O-N 3.08Å; G603-W653 WeakPolarHBondContact O-CZ2 3.43Å
604I98.8Very high98.2Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-64.7-41.6174.8-55.3-67.3000110.8W582 W600 A601 F602 W607 E608 P616 Y617 L635 W653W582-I604 VanDerWaalsContact CD1-CG2 3.48Å; W582-I604 HydrophobicContact CG-CG2 4.04Å; W600-I604 PolarHBondContact O-N 3.35Å; A601-I604 WeakPolarHBondContact O-CB 3.22Å; A601-I604 PolarHBondContact O-N 2.78Å; A601-I604 VanDerWaalsContact O-N 3.17Å; F602-I604 VanDerWaalsContact C-N 3.28Å; F602-I604 PolarHBondContact O-N 3.16Å; I604-W607 CarbonylContact O-C 3.55Å; I604-W607 WeakPolarHBondContact O-CA 3.44Å; I604-W607 WeakPolarHBondContact O-CB 3.3Å; I604-W607 PolarHBondContact O-N 3.44Å; I604-W607 VanDerWaalsContact O-N 3.15Å; I604-E608 WeakPolarHBondContact O-CG 3.41Å; I604-E608 PolarHBondContact O-N 3.42Å; I604-P616 HydrophobicContact CG2-CB 3.94Å; I604-P616 HydrophobicContact CG2-CG 3.52Å; I604-Y617 HydrophobicContact CD1-CE2 4.2Å; I604-L635 HydrophobicContact CD1-CD1 3.54Å; I604-L635 HydrophobicContact CD1-CG 4.48Å; I604-L635 HydrophobicContact CG2-CD1 4.45Å; I604-W653 HydrophobicContact CD1-CZ2 3.77Å; I604-W653 HydrophobicContact CG1-CZ2 4.45Å
605L98.9Very high98.4Very high0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-61.8-44.9176.2-179.8156.2000111.9V524 L541 A601 F602 W607 E608 V609V524-L605 HydrophobicContact CB-CD2 4.43Å; V524-L605 HydrophobicContact CG1-CD1 3.87Å; V524-L605 HydrophobicContact CG1-CD2 4.2Å; V524-L605 HydrophobicContact CG2-CD2 4.33Å; L541-L605 HydrophobicContact CD1-CD1 3.87Å; L541-L605 HydrophobicContact CG-CD1 3.98Å; A601-L605 PolarHBondContact O-N 3.27Å; F602-L605 WeakPolarHBondContact O-CB 3.41Å; F602-L605 PolarHBondContact O-N 2.97Å; F602-L605 VanDerWaalsContact O-N 3.12Å; L605-W607 PolarHBondContact O-N 2.78Å; L605-E608 WeakPolarHBondContact O-CB 3.47Å; L605-E608 PolarHBondContact O-N 2.96Å; L605-E608 VanDerWaalsContact O-N 3.08Å; L605-V609 HydrophobicContact CD2-CG2 4.02Å; L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 2.95Å
606M98.9Very high98.5Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-56.9-43.7173.4-70-17578.200110.4C521 F602 G603 E608 V609 F610 I645 I648 M649 I670C521-M606 HydrophobicContact CB-CE 4.44Å; C521-M606 HydrophobicContact CB-CG 4.23Å; F602-M606 HydrophobicContact CD1-CG 4.24Å; F602-M606 HydrophobicContact CD1-SD 4.05Å; F602-M606 HydrophobicContact CE1-CG 3.79Å; F602-M606 HydrophobicContact CE1-SD 3.37Å; F602-M606 WeakPolarHBondContact CE1-SD 3.36Å; F602-M606 HydrophobicContact CE2-CG 4.18Å; F602-M606 HydrophobicContact CZ-CG 3.74Å; F602-M606 HydrophobicContact CZ-SD 3.79Å; F602-M606 WeakPolarHBondContact O-CG 3.34Å; F602-M606 PolarHBondContact O-N 3.04Å; G603-M606 PolarHBondContact O-N 3.42Å; M606-E608 VanDerWaalsContact C-N 3.34Å; M606-E608 PolarHBondContact O-N 2.93Å; M606-V609 PolarHBondContact O-N 2.86Å; M606-F610 WeakPolarHBondContact O-CD2 3.42Å; M606-F610 PolarHBondContact O-N 3.21Å; M606-I645 HydrophobicContact CE-CG2 4.38Å; M606-I648 HydrophobicContact CE-CG2 4.05Å; M606-I648 HydrophobicContact SD-CG2 4.07Å; M606-M649 HydrophobicContact CB-CE 3.83Å; M606-M649 HydrophobicContact CB-CG 3.7Å; M606-M649 HydrophobicContact CB-SD 4.37Å; M606-M649 HydrophobicContact CE-CE 4.41Å; M606-M649 HydrophobicContact CE-CG 4.12Å; M606-M649 HydrophobicContact SD-CG 4.03Å; M606-I670 HydrophobicContact CE-CD1 4.46Å
607W98.8Very high98.4Very high1 Ų112.9 Ų12.90%0.0046%0.062CC..Hα-helixtrans-61.9-40175.4-17696.7000112.6G603 I604 L605 S611 K614 P616 L635 Y636 P638 W653G603-W607 PolarHBondContact O-N 2.92Å; G603-W607 VanDerWaalsContact O-N 3.08Å; I604-W607 CarbonylContact O-C 3.55Å; I604-W607 WeakPolarHBondContact O-CA 3.44Å; I604-W607 WeakPolarHBondContact O-CB 3.3Å; I604-W607 PolarHBondContact O-N 3.44Å; I604-W607 VanDerWaalsContact O-N 3.15Å; L605-W607 PolarHBondContact O-N 2.78Å; W607-S611 VanDerWaalsContact CE2-OG 3.31Å; W607-S611 WeakPolarHBondContact O-CB 3.34Å; W607-S611 PolarHBondContact O-N 2.87Å; W607-S611 PolarHBondContact O-OG 3.2Å; W607-K614 HydrophobicContact CH2-CB 3.89Å; W607-K614 HydrophobicContact CZ3-CB 4.05Å; W607-K614 WeakPolarHBondContact CZ3-O 3.49Å; W607-P616 HydrophobicContact CE3-CG 4.25Å; W607-P616 HydrophobicContact CZ3-CB 4.32Å; W607-P616 HydrophobicContact CZ3-CG 4.17Å; W607-L635 HydrophobicContact CB-CD1 4.03Å; W607-L635 HydrophobicContact CD2-CB 4.41Å; W607-L635 HydrophobicContact CD2-CD1 3.69Å; W607-L635 HydrophobicContact CD2-CD2 4.42Å; W607-L635 HydrophobicContact CD2-CG 4.39Å; W607-L635 HydrophobicContact CE3-CD1 4.06Å; W607-L635 HydrophobicContact CG-CB 4.14Å; W607-L635 HydrophobicContact CG-CD1 3.65Å; W607-L635 HydrophobicContact CG-CG 4.43Å; W607-L635 HydrophobicContact CZ2-CD2 4.18Å; W607-Y636 VanDerWaalsContact CD1-O 3.25Å; W607-Y636 HydrophobicContact CZ2-CD1 4.38Å; W607-Y636 AromaticContact CZ2-CE1 3.62Å; W607-Y636 HydrophobicContact CZ2-CE1 3.62Å; W607-Y636 HydrophobicContact CZ2-CE2 4.47Å; W607-Y636 AromaticContact CZ2-CZ 3.66Å; W607-Y636 PolarHBondContact NE1-O 2.97Å; W607-P638 VanDerWaalsContact CD1-CG 3.48Å; W607-P638 HydrophobicContact CG-CG 4.1Å; W607-W653 HydrophobicContact CB-CH2 4.15Å; W607-W653 HydrophobicContact CB-CZ2 4.23Å; W607-W653 HydrophobicContact CG-CH2 4.5Å
608E98.8Very high98.3Very high2 Ų216.8 Ų16.81%0.0098%0.082CC..Hα-helixtrans-59.4-46.2173.7-69.1-177.898.600111A543 W582 I604 L605 M606 S611 L612 G613 P616A543-E608 HydrophobicContact CB-CB 4.14Å; A543-E608 PolarHBondContact N-OE2 2.96Å; A543-E608 VanDerWaalsContact N-OE2 3.07Å; W582-E608 WeakPolarHBondContact CZ2-OE1 3.38Å; W582-E608 VanDerWaalsContact NE1-CD 3.34Å; W582-E608 PolarHBondContact NE1-OE2 3.36Å; I604-E608 WeakPolarHBondContact O-CG 3.41Å; I604-E608 PolarHBondContact O-N 3.42Å; L605-E608 WeakPolarHBondContact O-CB 3.47Å; L605-E608 PolarHBondContact O-N 2.96Å; L605-E608 VanDerWaalsContact O-N 3.08Å; M606-E608 VanDerWaalsContact C-N 3.34Å; M606-E608 PolarHBondContact O-N 2.93Å; E608-S611 CarbonylContact O-C 3.5Å; E608-S611 PolarHBondContact O-N 3.47Å; E608-L612 PolarHBondContact O-N 3.45Å; E608-L612 VanDerWaalsContact O-N 3.07Å; E608-G613 PolarHBondContact O-N 2.89Å; E608-P616 HydrophobicContact CG-CG 3.96Å
609V98.8Very high98.1Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-59.7-54.8179.2172.80000111L501 L505 L517 L605 M606 S611 L612L501-V609 HydrophobicContact CD2-CG2 3.95Å; L505-V609 HydrophobicContact CD1-CB 4.43Å; L505-V609 HydrophobicContact CD1-CG2 4.1Å; L505-V609 HydrophobicContact CD2-CG1 4.4Å; L517-V609 HydrophobicContact CB-CG1 3.84Å; L517-V609 HydrophobicContact CD2-CG1 3.9Å; L517-V609 HydrophobicContact CG-CG1 4.41Å; L517-V609 WeakPolarHBondContact O-CG1 3.25Å; L605-V609 HydrophobicContact CD2-CG2 4.02Å; L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 2.95Å; M606-V609 PolarHBondContact O-N 2.86Å; V609-S611 PolarHBondContact O-N 3.18Å; V609-L612 PolarHBondContact O-N 3.33Å
610F98.7Very high97.9Very high0 Ų026.3 Ų26.30%013%0.128CC..Hα-helixtrans-73.2-12.4-178.9-78.9-87000114.1L517 L518 M606 P638 L640 A641 I645 M649L517-F610 HydrophobicContact CB-CE1 4.14Å; L517-F610 HydrophobicContact CB-CZ 4.13Å; L517-F610 HydrophobicContact CD1-CD1 4.32Å; L518-F610 HydrophobicContact CB-CZ 4.24Å; L518-F610 HydrophobicContact CD1-CZ 4.28Å; M606-F610 WeakPolarHBondContact O-CD2 3.42Å; M606-F610 PolarHBondContact O-N 3.21Å; F610-P638 HydrophobicContact CB-CB 3.88Å; F610-P638 HydrophobicContact CB-CG 3.96Å; F610-P638 WeakPolarHBondContact O-CB 3.07Å; F610-L640 HydrophobicContact CD1-CB 4.09Å; F610-L640 WeakPolarHBondContact CD1-O 3.31Å; F610-A641 HydrophobicContact CB-CB 4.11Å; F610-A641 HydrophobicContact CD1-CB 3.9Å; F610-A641 HydrophobicContact CG-CB 4.04Å; F610-I645 HydrophobicContact CD2-CG2 4.12Å; F610-I645 HydrophobicContact CE1-CD1 3.9Å; F610-I645 HydrophobicContact CE1-CG2 4.17Å; F610-I645 HydrophobicContact CE2-CG2 3.73Å; F610-I645 HydrophobicContact CZ-CD1 3.77Å; F610-I645 HydrophobicContact CZ-CG2 3.76Å; F610-M649 HydrophobicContact CB-CE 3.86Å; F610-M649 HydrophobicContact CD2-CE 3.23Å; F610-M649 HydrophobicContact CE2-CE 3.94Å; F610-M649 HydrophobicContact CG-CE 3.67Å
611S98.4Very high97.7Very high7 Ų730.3 Ų30.35%0.04915%0.15CC..THydrogen-bonded Turntrans-98.48.3170.4-55.70000113W607 E608 V609 G613 K614 P638W607-S611 VanDerWaalsContact CE2-OG 3.31Å; W607-S611 WeakPolarHBondContact O-CB 3.34Å; W607-S611 PolarHBondContact O-N 2.87Å; W607-S611 PolarHBondContact O-OG 3.2Å; E608-S611 CarbonylContact O-C 3.5Å; E608-S611 PolarHBondContact O-N 3.47Å; V609-S611 PolarHBondContact O-N 3.18Å; S611-G613 VanDerWaalsContact C-N 3.34Å; S611-G613 PolarHBondContact O-N 2.84Å; S611-K614 WeakPolarHBondContact O-CG 3.49Å; S611-K614 PolarHBondContact O-N 3.03Å; S611-P638 WeakPolarHBondContact OG-CG 3.43Å
612L98.3Very high97.2Very high34 Ų3434 Ų3418%0.17817%0.168CC..THydrogen-bonded Turntrans5643.2179.2-50.9-178000113.4G509 K510 L517 E608 V609 L640G509-L612 WeakPolarHBondContact O-CD2 3.37Å; K510-L612 HydrophobicContact CG-CD1 4.41Å; L517-L612 HydrophobicContact CD1-CD2 3.97Å; L517-L612 HydrophobicContact CD2-CD2 4.11Å; E608-L612 PolarHBondContact O-N 3.45Å; E608-L612 VanDerWaalsContact O-N 3.07Å; V609-L612 PolarHBondContact O-N 3.33Å; L612-L640 HydrophobicContact CD1-CD1 3.99Å; L612-L640 HydrophobicContact CD2-CD1 3.73Å; L612-L640 HydrophobicContact CG-CD1 3.85Å
613G97.9Very high96.7Very high1 Ų138.5 Ų38.51%0.0120%0.2CC..SBendtrans79.120.9175.200000114.9L502 R506 E608 S611L502-G613 WeakPolarHBondContact CD1-O 3.46Å; R506-G613 PolarHBondContact NE-O 3.38Å; R506-G613 PolarHBondContact NH2-O 2.93Å; R506-G613 VanDerWaalsContact NH2-O 3.11Å; E608-G613 PolarHBondContact O-N 2.89Å; S611-G613 VanDerWaalsContact C-N 3.34Å; S611-G613 PolarHBondContact O-N 2.84Å
614K97.9Very high96.3Very high103 Ų10342.8 Ų42.845%0.44822%0.22SC..PPolyproline II helixtrans-59.6151.2167-78.1-175.8-174.6-176.10110.8W607 S611W607-K614 HydrophobicContact CH2-CB 3.89Å; W607-K614 HydrophobicContact CZ3-CB 4.05Å; W607-K614 WeakPolarHBondContact CZ3-O 3.49Å; S611-K614 WeakPolarHBondContact O-CG 3.49Å; S611-K614 PolarHBondContact O-N 3.03Å
615Q97Very high95.9Very high97 Ų9742.9 Ų42.945%0.45322%0.221SC..PPolyproline II helixtrans-75.5129.7176.1-177.5161.6-5.800110.2Y617 D618Q615-Y617 PolarHBondContact O-N 3.47Å; Q615-D618 HydrophobicContact CB-CB 4.28Å; Q615-D618 PolarHBondContact O-N 2.75Å
616P98.2Very high95.3Very high0 Ų044.8 Ų44.80%023%0.233CC..THydrogen-bonded Turntrans-58.3137.5173.2-24.834.4000110.7K581 W582 I604 W607 E608 D618 L635K581-P616 HydrophobicContact CB-CB 4.43Å; K581-P616 VanDerWaalsContact CD-O 3.31Å; K581-P616 WeakPolarHBondContact CD-O 3.21Å; K581-P616 PolarHBondContact NZ-O 3.26Å; W582-P616 HydrophobicContact CH2-CG 4.49Å; W582-P616 HydrophobicContact CZ2-CG 3.9Å; I604-P616 HydrophobicContact CG2-CB 3.94Å; I604-P616 HydrophobicContact CG2-CG 3.52Å; W607-P616 HydrophobicContact CE3-CG 4.25Å; W607-P616 HydrophobicContact CZ3-CB 4.32Å; W607-P616 HydrophobicContact CZ3-CG 4.17Å; E608-P616 HydrophobicContact CG-CG 3.96Å; P616-D618 PolarHBondContact O-N 2.81Å; P616-L635 HydrophobicContact CB-CD1 4.2Å; P616-L635 HydrophobicContact CB-CD2 4.43Å
617Y97.5Very high94.5Very high9 Ų949.5 Ų49.54%0.03526%0.257CS..THydrogen-bonded Turntrans50.144178.1-49.6-76.1000112.4K581 I604 Q615 L619 Y620 V625 V629 H633 L635K581-Y617 HydrophobicContact CB-CD2 4.41Å; K581-Y617 PolarHBondContact NZ-O 3.24Å; I604-Y617 HydrophobicContact CD1-CE2 4.2Å; Q615-Y617 PolarHBondContact O-N 3.47Å; Y617-L619 PolarHBondContact O-N 2.89Å; Y617-Y620 PolarHBondContact O-N 3.01Å; Y617-Y620 VanDerWaalsContact O-O 3.07Å; Y617-V625 VanDerWaalsContact CB-CG2 3.47Å; Y617-V625 HydrophobicContact CD2-CG1 3.92Å; Y617-V625 HydrophobicContact CD2-CG2 4.2Å; Y617-V625 HydrophobicContact CE2-CG1 4.24Å; Y617-V625 HydrophobicContact CG-CG1 4.26Å; Y617-V625 HydrophobicContact CG-CG2 3.89Å; Y617-V629 HydrophobicContact CE1-CG2 4.21Å; Y617-V629 HydrophobicContact CE2-CG2 4.38Å; Y617-H633 AromaticContact CE1-CD2 3.98Å; Y617-L635 HydrophobicContact CD1-CD2 3.6Å; Y617-L635 HydrophobicContact CD1-CG 4.28Å; Y617-L635 HydrophobicContact CD2-CD2 4.07Å; Y617-L635 HydrophobicContact CE1-CD2 3.56Å; Y617-L635 HydrophobicContact CE1-CG 3.72Å; Y617-L635 HydrophobicContact CE2-CD1 4.25Å; Y617-L635 HydrophobicContact CE2-CD2 4.04Å; Y617-L635 HydrophobicContact CE2-CG 4.04Å; Y617-L635 HydrophobicContact CG-CD2 3.86Å
618D95.1Very high93.9Very high87 Ų8752.9 Ų52.947%0.46527%0.272SS..THydrogen-bonded Turntrans-55.9-28.3-176.456.1-7000114Q615 P616 Y620Q615-D618 HydrophobicContact CB-CB 4.28Å; Q615-D618 PolarHBondContact O-N 2.75Å; P616-D618 PolarHBondContact O-N 2.81Å; D618-Y620 VanDerWaalsContact C-N 3.26Å; D618-Y620 PolarHBondContact O-N 3.3Å
619L95.1Very high93.5Very high142 Ų14253 Ų5374%0.74327%0.272SS*.THydrogen-bonded Turntrans-75.1-8.3175.8-57.9-179.1000114.9Y617Y617-L619 PolarHBondContact O-N 2.89Å
620Y94.3Very high92.7Very high62 Ų6255.2 Ų55.224%0.24329%0.288CS..SBendtrans-127.1140.7-171.7-56.1-63.4000112K581 Y617 D618 Q624K581-Y620 WeakPolarHBondContact CE-O 3.23Å; K581-Y620 PolarHBondContact NZ-O 3.21Å; Y617-Y620 PolarHBondContact O-N 3.01Å; Y617-Y620 VanDerWaalsContact O-O 3.07Å; D618-Y620 VanDerWaalsContact C-N 3.26Å; D618-Y620 PolarHBondContact O-N 3.3Å; Y620-Q624 HydrophobicContact CD1-CB 4.23Å; Y620-Q624 HydrophobicContact CG-CB 4.44Å
621D92.9Very high92Very high86 Ų8661.1 Ų61.146%0.4632%0.316SS..  trans-73.3171.7166.171.641.6000111.6S623 Q624 V625D621-S623 VanDerWaalsContact C-N 3.31Å; D621-S623 PolarHBondContact O-N 3.15Å; D621-S623 WeakPolarHBondContact OD1-CA 3.42Å; D621-S623 WeakPolarHBondContact OD1-CB 3.45Å; D621-S623 PolarHBondContact OD1-N 2.61Å; D621-Q624 PolarHBondContact O-N 3.43Å; D621-Q624 WeakPolarHBondContact OD1-CG 3.17Å; D621-Q624 PolarHBondContact OD1-N 3.46Å; D621-V625 VanDerWaalsContact O-CG2 3.29Å; D621-V625 WeakPolarHBondContact O-CG2 2.76Å; D621-V625 PolarHBondContact O-N 3.37Å
622N90Very high91.2Very high82 Ų8262.5 Ų62.544%0.43933%0.331SS..Hα-helixtrans-61-37-176.6-75.4-5.8000113.3V580 V625 V626V580-N622 HydrophobicContact CB-CB 4.05Å; V580-N622 HydrophobicContact CG1-CB 3.95Å; V580-N622 HydrophobicContact CG2-CB 4.05Å; N622-V625 PolarHBondContact O-N 3.39Å; N622-V626 WeakPolarHBondContact O-CG2 3.5Å; N622-V626 PolarHBondContact O-N 2.79Å; N622-V626 VanDerWaalsContact O-N 3.09Å
623S87Confident90.9Very high95 Ų9564.3 Ų64.366%0.66434%0.339SS*.Hα-helixtrans-70-40179.8-64.50000111.3D621 V626 L627D621-S623 VanDerWaalsContact C-N 3.31Å; D621-S623 PolarHBondContact O-N 3.15Å; D621-S623 WeakPolarHBondContact OD1-CA 3.42Å; D621-S623 WeakPolarHBondContact OD1-CB 3.45Å; D621-S623 PolarHBondContact OD1-N 2.61Å; S623-V626 PolarHBondContact O-N 2.77Å; S623-L627 PolarHBondContact O-N 3.05Å; S623-L627 VanDerWaalsContact O-N 3.15Å
624Q90.7Very high90.9Very high90 Ų9065.3 Ų65.342%0.42134%0.342SS..Hα-helixtrans-66.5-39.3174.4-69175.3-33.700111.8Y620 D621 L627 K628Y620-Q624 HydrophobicContact CD1-CB 4.23Å; Y620-Q624 HydrophobicContact CG-CB 4.44Å; D621-Q624 PolarHBondContact O-N 3.43Å; D621-Q624 WeakPolarHBondContact OD1-CG 3.17Å; D621-Q624 PolarHBondContact OD1-N 3.46Å; Q624-L627 PolarHBondContact O-N 2.79Å; Q624-K628 WeakPolarHBondContact O-CB 3.42Å; Q624-K628 VanDerWaalsContact O-CG 3.25Å; Q624-K628 WeakPolarHBondContact O-CG 3.44Å; Q624-K628 PolarHBondContact O-N 3.42Å
625V91.6Very high90.9Very high2 Ų260.7 Ų60.71%0.01232%0.322CS..Hα-helixtrans-60.3-47.8175170.40000110.9K581 Y617 D621 N622 L627 K628 V629K581-V625 HydrophobicContact CG-CG1 4.43Å; K581-V625 HydrophobicContact CG-CG2 4.25Å; Y617-V625 VanDerWaalsContact CB-CG2 3.47Å; Y617-V625 HydrophobicContact CD2-CG1 3.92Å; Y617-V625 HydrophobicContact CD2-CG2 4.2Å; Y617-V625 HydrophobicContact CE2-CG1 4.24Å; Y617-V625 HydrophobicContact CG-CG1 4.26Å; Y617-V625 HydrophobicContact CG-CG2 3.89Å; D621-V625 VanDerWaalsContact O-CG2 3.29Å; D621-V625 WeakPolarHBondContact O-CG2 2.76Å; D621-V625 PolarHBondContact O-N 3.37Å; N622-V625 PolarHBondContact O-N 3.39Å; V625-L627 VanDerWaalsContact C-N 3.31Å; V625-L627 PolarHBondContact O-N 3.31Å; V625-K628 PolarHBondContact O-N 3.36Å; V625-V629 HydrophobicContact CG1-CG2 3.96Å; V625-V629 WeakPolarHBondContact O-CB 3.45Å; V625-V629 VanDerWaalsContact O-CG2 3.29Å; V625-V629 WeakPolarHBondContact O-CG2 3.23Å; V625-V629 PolarHBondContact O-N 2.81Å
626V85.6Confident90.9Very high41 Ų4161.4 Ų61.425%0.24832%0.321CS..Hα-helixtrans-53.5-50.3175.3166.70000110.4V580 F588 N622 S623 S630V580-V626 HydrophobicContact CG1-CG2 3.7Å; F588-V626 HydrophobicContact CB-CG2 4.38Å; F588-V626 HydrophobicContact CD2-CB 4.29Å; F588-V626 HydrophobicContact CD2-CG1 3.77Å; F588-V626 HydrophobicContact CD2-CG2 3.89Å; F588-V626 HydrophobicContact CE2-CB 4.2Å; F588-V626 HydrophobicContact CE2-CG1 3.72Å; F588-V626 HydrophobicContact CE2-CG2 4.21Å; F588-V626 HydrophobicContact CG-CG2 4.07Å; N622-V626 WeakPolarHBondContact O-CG2 3.5Å; N622-V626 PolarHBondContact O-N 2.79Å; N622-V626 VanDerWaalsContact O-N 3.09Å; S623-V626 PolarHBondContact O-N 2.77Å; V626-S630 VanDerWaalsContact O-CB 3.31Å; V626-S630 WeakPolarHBondContact O-CB 3.44Å; V626-S630 PolarHBondContact O-N 3.02Å; V626-S630 VanDerWaalsContact O-N 3.12Å; V626-S630 PolarHBondContact O-OG 3.43Å
627L81.1Confident91Very high99 Ų9967 Ų6752%0.51834%0.342SS..Hα-helixtrans-61-49.8179.4-179.964.8000112.4S623 Q624 V625 S630 Q631S623-L627 PolarHBondContact O-N 3.05Å; S623-L627 VanDerWaalsContact O-N 3.15Å; Q624-L627 PolarHBondContact O-N 2.79Å; V625-L627 VanDerWaalsContact C-N 3.31Å; V625-L627 PolarHBondContact O-N 3.31Å; L627-S630 PolarHBondContact O-N 3.15Å; L627-Q631 VanDerWaalsContact O-CG 3.3Å; L627-Q631 WeakPolarHBondContact O-CG 3.3Å; L627-Q631 PolarHBondContact O-N 3.28Å
628K87.4Confident91Very high72 Ų7266.6 Ų66.631%0.31334%0.341SS..Hα-helixtrans-64.8-47.8-175.5-73.5-74.1-176.6-178.10111.8Q624 V625 S630 Q631 H633Q624-K628 WeakPolarHBondContact O-CB 3.42Å; Q624-K628 VanDerWaalsContact O-CG 3.25Å; Q624-K628 WeakPolarHBondContact O-CG 3.44Å; Q624-K628 PolarHBondContact O-N 3.42Å; V625-K628 PolarHBondContact O-N 3.36Å; K628-S630 VanDerWaalsContact C-N 3.28Å; K628-S630 PolarHBondContact O-N 2.77Å; K628-Q631 WeakPolarHBondContact O-CA 3.38Å; K628-Q631 WeakPolarHBondContact O-CB 3.34Å; K628-Q631 PolarHBondContact O-N 2.86Å; K628-H633 HydrophobicContact CB-CB 3.92Å; K628-H633 WeakPolarHBondContact O-CB 3.28Å; K628-H633 PolarHBondContact O-N 3.49Å
629V89.2Confident91Very high3 Ų369.4 Ų69.42%0.01835%0.351CS..Hα-helixtrans-62-40.4179.51730000110.3P585 F588 W600 Y617 V625 Q631 G632 R634P585-V629 HydrophobicContact CG-CG1 4.01Å; F588-V629 HydrophobicContact CE1-CG1 4.16Å; F588-V629 HydrophobicContact CZ-CB 4.13Å; F588-V629 HydrophobicContact CZ-CG1 3.93Å; W600-V629 HydrophobicContact CH2-CG1 3.71Å; W600-V629 HydrophobicContact CZ2-CG1 3.56Å; Y617-V629 HydrophobicContact CE1-CG2 4.21Å; Y617-V629 HydrophobicContact CE2-CG2 4.38Å; V625-V629 HydrophobicContact CG1-CG2 3.96Å; V625-V629 WeakPolarHBondContact O-CB 3.45Å; V625-V629 VanDerWaalsContact O-CG2 3.29Å; V625-V629 WeakPolarHBondContact O-CG2 3.23Å; V625-V629 PolarHBondContact O-N 2.81Å; V629-Q631 PolarHBondContact O-N 2.91Å; V629-G632 PolarHBondContact O-N 3.49Å; V629-R634 PolarHBondContact O-NH1 3.11Å
630S83.3Confident91.1Very high47 Ų4764.8 Ų64.833%0.32933%0.327SS..Hα-helixtrans-63.3-22.6175-53.60000114H589 V626 L627 K628 G632H589-S630 PolarHBondContact CE1-OG 2.78Å; H589-S630 PolarHBondContact NE2-OG 2.99Å; H589-S630 VanDerWaalsContact NE2-OG 3.17Å; V626-S630 VanDerWaalsContact O-CB 3.31Å; V626-S630 WeakPolarHBondContact O-CB 3.44Å; V626-S630 PolarHBondContact O-N 3.02Å; V626-S630 VanDerWaalsContact O-N 3.12Å; V626-S630 PolarHBondContact O-OG 3.43Å; L627-S630 PolarHBondContact O-N 3.15Å; K628-S630 VanDerWaalsContact C-N 3.28Å; K628-S630 PolarHBondContact O-N 2.77Å; S630-G632 VanDerWaalsContact C-N 3.29Å
631Q83.6Confident91.2Very high125 Ų12562 Ų6258%0.58432%0.317SS*.THydrogen-bonded Turntrans-89.59.1175.4-69.2170.9-10.900112.6L627 K628 V629L627-Q631 VanDerWaalsContact O-CG 3.3Å; L627-Q631 WeakPolarHBondContact O-CG 3.3Å; L627-Q631 PolarHBondContact O-N 3.28Å; K628-Q631 WeakPolarHBondContact O-CA 3.38Å; K628-Q631 WeakPolarHBondContact O-CB 3.34Å; K628-Q631 PolarHBondContact O-N 2.86Å; V629-Q631 PolarHBondContact O-N 2.91Å
632G81.8Confident91.4Very high36 Ų3660.6 Ų60.637%0.37131%0.313SS..THydrogen-bonded Turntrans86.35.9-178.400000114.6V629 S630 E655V629-G632 PolarHBondContact O-N 3.49Å; S630-G632 VanDerWaalsContact C-N 3.29Å; G632-E655 WeakPolarHBondContact CA-OE1 3.23Å
633H92.4Very high91.8Very high72 Ų7261.3 Ų61.333%0.33332%0.318SS..  trans-65.8140.5174.7-173.660.5000110.7Y617 K628Y617-H633 AromaticContact CE1-CD2 3.98Å; K628-H633 HydrophobicContact CB-CB 3.92Å; K628-H633 WeakPolarHBondContact O-CB 3.28Å; K628-H633 PolarHBondContact O-N 3.49Å
634R97Very high92.2Very high22 Ų2260.6 Ų60.68%0.08331%0.309CS..  trans-134.7157.9177.9-62.6-60.3-177.5-89.71.3110.5W600 V629 Y650 W653 E655W600-R634 VanDerWaalsContact CH2-CZ 3.49Å; V629-R634 PolarHBondContact O-NH1 3.11Å; R634-Y650 HydrophobicContact CB-CD2 4.36Å; R634-Y650 HydrophobicContact CB-CE2 3.84Å; R634-Y650 HydrophobicContact CG-CD2 4.45Å; R634-Y650 HydrophobicContact CG-CE2 3.75Å; R634-W653 HydrophobicContact CB-CE3 4.17Å; R634-W653 HydrophobicContact CG-CE3 4.49Å; R634-W653 VanDerWaalsContact CZ-O 3.28Å; R634-W653 PolarHBondContact NE-O 2.82Å; R634-W653 PolarHBondContact NH2-O 2.82Å; R634-E655 IonicContact CZ-OE1 3.01Å; R634-E655 VanDerWaalsContact CZ-OE1 3.26Å; R634-E655 IonicContact NH1-OE1 3.47Å; R634-E655 PolarHBondContact NH1-OE1 3.02Å; R634-E655 IonicContact NH2-OE1 3.83Å; R634-E655 PolarHBondContact NH2-OE1 2.9Å; R634-E655 IonicContact NH2-OE2 3.43Å
635L98.3Very high92.6Very high5 Ų557 Ų573%0.02629%0.292CS..PPolyproline II helixtrans-62.2145175.6-68.7167.9000110.5I604 W607 P616 Y617 Y646 W653I604-L635 HydrophobicContact CD1-CD1 3.54Å; I604-L635 HydrophobicContact CD1-CG 4.48Å; I604-L635 HydrophobicContact CG2-CD1 4.45Å; W607-L635 HydrophobicContact CB-CD1 4.03Å; W607-L635 HydrophobicContact CD2-CB 4.41Å; W607-L635 HydrophobicContact CD2-CD1 3.69Å; W607-L635 HydrophobicContact CD2-CD2 4.42Å; W607-L635 HydrophobicContact CD2-CG 4.39Å; W607-L635 HydrophobicContact CE3-CD1 4.06Å; W607-L635 HydrophobicContact CG-CB 4.14Å; W607-L635 HydrophobicContact CG-CD1 3.65Å; W607-L635 HydrophobicContact CG-CG 4.43Å; W607-L635 HydrophobicContact CZ2-CD2 4.18Å; P616-L635 HydrophobicContact CB-CD1 4.2Å; P616-L635 HydrophobicContact CB-CD2 4.43Å; Y617-L635 HydrophobicContact CD1-CD2 3.6Å; Y617-L635 HydrophobicContact CD1-CG 4.28Å; Y617-L635 HydrophobicContact CD2-CD2 4.07Å; Y617-L635 HydrophobicContact CE1-CD2 3.56Å; Y617-L635 HydrophobicContact CE1-CG 3.72Å; Y617-L635 HydrophobicContact CE2-CD1 4.25Å; Y617-L635 HydrophobicContact CE2-CD2 4.04Å; Y617-L635 HydrophobicContact CE2-CG 4.04Å; Y617-L635 HydrophobicContact CG-CD2 3.86Å; L635-Y646 PolarHBondContact O-OH 3.35Å; L635-W653 HydrophobicContact CB-CH2 3.77Å; L635-W653 HydrophobicContact CB-CZ2 4.49Å; L635-W653 HydrophobicContact CB-CZ3 4.06Å; L635-W653 HydrophobicContact CD1-CH2 4.07Å; L635-W653 HydrophobicContact CD1-CZ2 4Å; L635-W653 HydrophobicContact CG-CH2 4.41Å
636Y97.9Very high92.9Very high113 Ų11358.6 Ų58.644%0.44330%0.299SS..PPolyproline II helixtrans-72.1161.5177.266-89.7000111.8W607 P638W607-Y636 VanDerWaalsContact CD1-O 3.25Å; W607-Y636 HydrophobicContact CZ2-CD1 4.38Å; W607-Y636 AromaticContact CZ2-CE1 3.62Å; W607-Y636 HydrophobicContact CZ2-CE1 3.62Å; W607-Y636 HydrophobicContact CZ2-CE2 4.47Å; W607-Y636 AromaticContact CZ2-CZ 3.66Å; W607-Y636 PolarHBondContact NE1-O 2.97Å; Y636-P638 VanDerWaalsContact O-CD 3.31Å; Y636-P638 WeakPolarHBondContact O-CD 3.24Å
637R98.4Very high93.5Very high116 Ų11662.1 Ų62.144%0.43831%0.313SS..PPolyproline II helixtrans-66.8119.3174-175.4178.386-102.9-14.3111.9A641 D643 Y646R637-A641 WeakPolarHBondContact CD-O 3.33Å; R637-A641 HydrophobicContact CG-CB 4.26Å; R637-A641 PolarHBondContact NE-O 2.86Å; R637-D643 WeakPolarHBondContact CD-OD1 3.46Å; R637-D643 IonicContact CZ-OD1 3.43Å; R637-D643 IonicContact NE-OD1 3.34Å; R637-D643 IonicContact NH1-OD1 2.81Å; R637-D643 PolarHBondContact NH1-OD1 3.26Å; R637-Y646 VanDerWaalsContact CA-CD2 3.47Å; R637-Y646 VanDerWaalsContact CA-CE2 3.46Å; R637-Y646 HydrophobicContact CB-CD1 3.93Å; R637-Y646 HydrophobicContact CB-CD2 3.63Å; R637-Y646 HydrophobicContact CB-CE1 4.16Å; R637-Y646 HydrophobicContact CB-CE2 3.87Å; R637-Y646 HydrophobicContact CB-CG 3.65Å; R637-Y646 HydrophobicContact CG-CD1 4.19Å; R637-Y646 HydrophobicContact CG-CD2 3.82Å; R637-Y646 HydrophobicContact CG-CG 3.59Å
638P97.9Very high94.4Very high1 Ų158.1 Ų58.11%0.00629%0.291CS..PPolyproline II helixtrans-62.5148.3172.6-20.833.4000112.1W607 F610 S611 Y636 L640 A641W607-P638 VanDerWaalsContact CD1-CG 3.48Å; W607-P638 HydrophobicContact CG-CG 4.1Å; F610-P638 HydrophobicContact CB-CB 3.88Å; F610-P638 HydrophobicContact CB-CG 3.96Å; F610-P638 WeakPolarHBondContact O-CB 3.07Å; S611-P638 WeakPolarHBondContact OG-CG 3.43Å; Y636-P638 VanDerWaalsContact O-CD 3.31Å; Y636-P638 WeakPolarHBondContact O-CD 3.24Å; P638-L640 VanDerWaalsContact C-N 3.29Å; P638-L640 PolarHBondContact O-N 2.72Å; P638-A641 HydrophobicContact CB-CB 4.26Å; P638-A641 HydrophobicContact CG-CB 4.4Å; P638-A641 WeakPolarHBondContact O-CB 3.44Å; P638-A641 PolarHBondContact O-N 2.96Å
639H95.9Very high94.9Very high147 Ų14754.7 Ų54.768%0.68128%0.276SS*.THydrogen-bonded Turntrans-61-32.2-177.772.8-66.4000114.6A641H639-A641 VanDerWaalsContact C-N 3.3Å
640L96.6Very high95.3Very high44 Ų4459.7 Ų59.723%0.2330%0.296CS..THydrogen-bonded Turntrans-81.1-10.8178-61.1174000112.9L517 F610 L612 P638L517-L640 HydrophobicContact CD1-CB 4.38Å; L517-L640 HydrophobicContact CD1-CD1 3.76Å; F610-L640 HydrophobicContact CD1-CB 4.09Å; F610-L640 WeakPolarHBondContact CD1-O 3.31Å; L612-L640 HydrophobicContact CD1-CD1 3.99Å; L612-L640 HydrophobicContact CD2-CD1 3.73Å; L612-L640 HydrophobicContact CG-CD1 3.85Å; P638-L640 VanDerWaalsContact C-N 3.29Å; P638-L640 PolarHBondContact O-N 2.72Å
641A97.5Very high96Very high4 Ų459.6 Ų59.63%0.03330%0.295CS..SBendtrans-88.5126.2178.700000109.9F610 R637 P638 H639 I645 M649F610-A641 HydrophobicContact CB-CB 4.11Å; F610-A641 HydrophobicContact CD1-CB 3.9Å; F610-A641 HydrophobicContact CG-CB 4.04Å; R637-A641 WeakPolarHBondContact CD-O 3.33Å; R637-A641 HydrophobicContact CG-CB 4.26Å; R637-A641 PolarHBondContact NE-O 2.86Å; P638-A641 HydrophobicContact CB-CB 4.26Å; P638-A641 HydrophobicContact CG-CB 4.4Å; P638-A641 WeakPolarHBondContact O-CB 3.44Å; P638-A641 PolarHBondContact O-N 2.96Å; H639-A641 VanDerWaalsContact C-N 3.3Å; A641-I645 HydrophobicContact CB-CB 4.47Å; A641-I645 HydrophobicContact CB-CG2 4.02Å; A641-M649 HydrophobicContact CB-CE 4.11Å
642S96.7Very high96.8Very high56 Ų5653.6 Ų53.639%0.39227%0.267SS..  trans-64.5162166.270.70000110.6T644 I645 Y646S642-T644 PolarHBondContact O-N 2.87Å; S642-I645 PolarHBondContact O-N 3.49Å; S642-I645 WeakPolarHBondContact OG-CD1 3.22Å; S642-I645 WeakPolarHBondContact OG-CG1 3.09Å; S642-I645 PolarHBondContact OG-N 3.25Å; S642-Y646 PolarHBondContact O-N 2.96Å
643D97.1Very high97.6Very high98 Ų9852 Ų5252%0.52425%0.25SC..Hα-helixtrans-60.2-37.7176.7-69.3-54.3000111.5R637 Y646 Q647R637-D643 WeakPolarHBondContact CD-OD1 3.46Å; R637-D643 IonicContact CZ-OD1 3.43Å; R637-D643 IonicContact NE-OD1 3.34Å; R637-D643 IonicContact NH1-OD1 2.81Å; R637-D643 PolarHBondContact NH1-OD1 3.26Å; D643-Y646 PolarHBondContact O-N 2.83Å; D643-Q647 WeakPolarHBondContact O-CG 3.44Å; D643-Q647 PolarHBondContact O-N 2.68Å
644T97.3Very high97.8Very high80 Ų8052.4 Ų52.449%0.49125%0.252SS..Hα-helixtrans-61.4-47175.8-49.10000112S642 Y646 Q647 I648 L673S642-T644 PolarHBondContact O-N 2.87Å; T644-Y646 VanDerWaalsContact C-N 3.28Å; T644-Y646 PolarHBondContact O-N 2.89Å; T644-Q647 PolarHBondContact O-N 2.86Å; T644-I648 PolarHBondContact O-N 2.98Å; T644-L673 HydrophobicContact CG2-CD1 3.95Å; T644-L673 HydrophobicContact CG2-CD2 4.03Å
645I97.8Very high97.2Very high13 Ų1355 Ų557%0.06727%0.265CS..Hα-helixtrans-61.6-41177.2-71.8168.2000110.3L518 M606 F610 A641 S642 I648 M649 L673L518-I645 HydrophobicContact CD1-CD1 4.31Å; L518-I645 HydrophobicContact CD1-CG1 4.31Å; M606-I645 HydrophobicContact CE-CG2 4.38Å; F610-I645 HydrophobicContact CD2-CG2 4.12Å; F610-I645 HydrophobicContact CE1-CD1 3.9Å; F610-I645 HydrophobicContact CE1-CG2 4.17Å; F610-I645 HydrophobicContact CE2-CG2 3.73Å; F610-I645 HydrophobicContact CZ-CD1 3.77Å; F610-I645 HydrophobicContact CZ-CG2 3.76Å; A641-I645 HydrophobicContact CB-CB 4.47Å; A641-I645 HydrophobicContact CB-CG2 4.02Å; S642-I645 PolarHBondContact O-N 3.49Å; S642-I645 WeakPolarHBondContact OG-CD1 3.22Å; S642-I645 WeakPolarHBondContact OG-CG1 3.09Å; S642-I645 PolarHBondContact OG-N 3.25Å; I645-I648 WeakPolarHBondContact O-CB 3.33Å; I645-I648 PolarHBondContact O-N 2.97Å; I645-M649 HydrophobicContact CG2-CE 3.46Å; I645-M649 VanDerWaalsContact CG2-CE 3.46Å; I645-M649 WeakPolarHBondContact O-CG 3.26Å; I645-M649 PolarHBondContact O-N 2.7Å; I645-M649 VanDerWaalsContact O-N 3.09Å; I645-L673 HydrophobicContact CG1-CD1 4.2Å
646Y98.6Very high96.7Very high36 Ų3658.7 Ų58.714%0.14128%0.284CS..Hα-helixtrans-67.3-35.1177.1-177.1-110.8000113.3L635 R637 S642 D643 T644 I648 M649 Y650 W653L635-Y646 PolarHBondContact O-OH 3.35Å; R637-Y646 VanDerWaalsContact CA-CD2 3.47Å; R637-Y646 VanDerWaalsContact CA-CE2 3.46Å; R637-Y646 HydrophobicContact CB-CD1 3.93Å; R637-Y646 HydrophobicContact CB-CD2 3.63Å; R637-Y646 HydrophobicContact CB-CE1 4.16Å; R637-Y646 HydrophobicContact CB-CE2 3.87Å; R637-Y646 HydrophobicContact CB-CG 3.65Å; R637-Y646 HydrophobicContact CG-CD1 4.19Å; R637-Y646 HydrophobicContact CG-CD2 3.82Å; R637-Y646 HydrophobicContact CG-CG 3.59Å; S642-Y646 PolarHBondContact O-N 2.96Å; D643-Y646 PolarHBondContact O-N 2.83Å; T644-Y646 VanDerWaalsContact C-N 3.28Å; T644-Y646 PolarHBondContact O-N 2.89Å; Y646-I648 VanDerWaalsContact C-N 3.27Å; Y646-I648 PolarHBondContact O-N 2.88Å; Y646-M649 HydrophobicContact CD2-SD 4.16Å; Y646-M649 WeakPolarHBondContact O-CB 3.36Å; Y646-M649 PolarHBondContact O-N 3.44Å; Y646-Y650 HydrophobicContact CE1-CD2 4.36Å; Y646-Y650 VanDerWaalsContact O-CB 3.27Å; Y646-Y650 WeakPolarHBondContact O-CB 3.47Å; Y646-Y650 PolarHBondContact O-N 3.29Å; Y646-W653 HydrophobicContact CE2-CZ3 4.33Å
647Q98.4Very high96.4Very high116 Ų11655 Ų5554%0.54227%0.274SS..Hα-helixtrans-62.2-37.3173-70.4-56.1-29.600111.6D643 T644 Y650 S651D643-Q647 WeakPolarHBondContact O-CG 3.44Å; D643-Q647 PolarHBondContact O-N 2.68Å; T644-Q647 PolarHBondContact O-N 2.86Å; Q647-Y650 PolarHBondContact O-N 3.17Å; Q647-S651 WeakPolarHBondContact O-CB 3.32Å; Q647-S651 PolarHBondContact O-N 2.87Å
648I98.5Very high96.1Very high14 Ų1455.4 Ų55.47%0.07228%0.281CS..Hα-helixtrans-61.3-52.1172.9-62.9170.5000109.8M606 T644 I645 Y646 Y650 S651 C652 L666 I670 L673M606-I648 HydrophobicContact CE-CG2 4.05Å; M606-I648 HydrophobicContact SD-CG2 4.07Å; T644-I648 PolarHBondContact O-N 2.98Å; I645-I648 WeakPolarHBondContact O-CB 3.33Å; I645-I648 PolarHBondContact O-N 2.97Å; Y646-I648 VanDerWaalsContact C-N 3.27Å; Y646-I648 PolarHBondContact O-N 2.88Å; I648-Y650 VanDerWaalsContact C-N 3.29Å; I648-Y650 PolarHBondContact O-N 3.46Å; I648-S651 PolarHBondContact O-N 2.68Å; I648-S651 PolarHBondContact O-OG 2.9Å; I648-C652 PolarHBondContact O-N 2.8Å; I648-C652 PolarHBondContact O-SG 2.95Å; I648-L666 HydrophobicContact CG2-CD2 3.65Å; I648-I670 HydrophobicContact CD1-CG1 4.11Å; I648-I670 HydrophobicContact CG2-CG1 4.37Å; I648-L673 HydrophobicContact CD1-CD1 3.71Å
649M98.4Very high96Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-54.7-45.9176.4-62169.7-17800112M606 F610 A641 I645 Y646 S651 C652 W653M606-M649 HydrophobicContact CB-CE 3.83Å; M606-M649 HydrophobicContact CB-CG 3.7Å; M606-M649 HydrophobicContact CB-SD 4.37Å; M606-M649 HydrophobicContact CE-CE 4.41Å; M606-M649 HydrophobicContact CE-CG 4.12Å; M606-M649 HydrophobicContact SD-CG 4.03Å; F610-M649 HydrophobicContact CB-CE 3.86Å; F610-M649 HydrophobicContact CD2-CE 3.23Å; F610-M649 HydrophobicContact CE2-CE 3.94Å; F610-M649 HydrophobicContact CG-CE 3.67Å; A641-M649 HydrophobicContact CB-CE 4.11Å; I645-M649 HydrophobicContact CG2-CE 3.46Å; I645-M649 VanDerWaalsContact CG2-CE 3.46Å; I645-M649 WeakPolarHBondContact O-CG 3.26Å; I645-M649 PolarHBondContact O-N 2.7Å; I645-M649 VanDerWaalsContact O-N 3.09Å; Y646-M649 HydrophobicContact CD2-SD 4.16Å; Y646-M649 WeakPolarHBondContact O-CB 3.36Å; Y646-M649 PolarHBondContact O-N 3.44Å; M649-S651 PolarHBondContact O-N 3.18Å; M649-C652 VanDerWaalsContact O-CB 3.27Å; M649-C652 WeakPolarHBondContact O-CB 3.45Å; M649-C652 PolarHBondContact O-N 2.95Å; M649-W653 HydrophobicContact CB-CH2 4.15Å; M649-W653 HydrophobicContact CB-CZ3 4.45Å
650Y98.3Very high96.1Very high108 Ų10855 Ų5542%0.42428%0.277SS..Hα-helixtrans-68.3-35-176.2-166.3-92.9000112.1R634 Y646 Q647 I648 C652 W653R634-Y650 HydrophobicContact CB-CD2 4.36Å; R634-Y650 HydrophobicContact CB-CE2 3.84Å; R634-Y650 HydrophobicContact CG-CD2 4.45Å; R634-Y650 HydrophobicContact CG-CE2 3.75Å; Y646-Y650 HydrophobicContact CE1-CD2 4.36Å; Y646-Y650 VanDerWaalsContact O-CB 3.27Å; Y646-Y650 WeakPolarHBondContact O-CB 3.47Å; Y646-Y650 PolarHBondContact O-N 3.29Å; Q647-Y650 PolarHBondContact O-N 3.17Å; I648-Y650 VanDerWaalsContact C-N 3.29Å; I648-Y650 PolarHBondContact O-N 3.46Å; Y650-C652 PolarHBondContact O-N 2.99Å; Y650-W653 HydrophobicContact CD2-CE3 4.21Å; Y650-W653 PolarHBondContact O-N 3.17Å
651S98.6Very high96.2Very high45 Ų4553.7 Ų53.732%0.31527%0.271SS..Hα-helixtrans-60.8-30.6175.178.50000112.8Q647 I648 M649 W653 P661Q647-S651 WeakPolarHBondContact O-CB 3.32Å; Q647-S651 PolarHBondContact O-N 2.87Å; I648-S651 PolarHBondContact O-N 2.68Å; I648-S651 PolarHBondContact O-OG 2.9Å; M649-S651 PolarHBondContact O-N 3.18Å; S651-W653 PolarHBondContact O-N 3.09Å; S651-P661 WeakPolarHBondContact O-CD 3.43Å
652C98.8Very high96.3Very high0 Ų055.5 Ų55.50%028%0.282CS..THydrogen-bonded Turntrans-67-22174.1-60.70000113V599 W600 I648 M649 Y650 R660V599-C652 HydrophobicContact CG1-CB 3.97Å; V599-C652 WeakPolarHBondContact O-CB 3.47Å; W600-C652 WeakPolarHBondContact CA-O 3.33Å; I648-C652 PolarHBondContact O-N 2.8Å; I648-C652 PolarHBondContact O-SG 2.95Å; M649-C652 VanDerWaalsContact O-CB 3.27Å; M649-C652 WeakPolarHBondContact O-CB 3.45Å; M649-C652 PolarHBondContact O-N 2.95Å; Y650-C652 PolarHBondContact O-N 2.99Å; C652-R660 VanDerWaalsContact O-CD 3.25Å; C652-R660 WeakPolarHBondContact O-CD 3.37Å
653W98.4Very high96.3Very high2 Ų252.9 Ų52.91%0.00826%0.263CS..THydrogen-bonded Turntrans-103.926.5-175.8-51.6-40.6000113.9W600 G603 I604 W607 R634 L635 Y646 M649 Y650 S651 E655W600-W653 HydrophobicContact CD2-CB 4.46Å; W600-W653 AromaticContact CD2-CD1 3.7Å; W600-W653 HydrophobicContact CD2-CG 4.43Å; W600-W653 AromaticContact CE2-CD1 3.82Å; W600-W653 HydrophobicContact CE3-CB 4.06Å; W600-W653 HydrophobicContact CE3-CG 4.49Å; W600-W653 AromaticContact CG-CD1 3.95Å; W600-W653 HydrophobicContact CH2-CB 4.05Å; W600-W653 HydrophobicContact CZ2-CB 4.43Å; W600-W653 HydrophobicContact CZ3-CB 3.85Å; W600-W653 WeakPolarHBondContact CZ3-O 3.37Å; W600-W653 PolarHBondContact O-NE1 3.31Å; G603-W653 WeakPolarHBondContact O-CZ2 3.43Å; I604-W653 HydrophobicContact CD1-CZ2 3.77Å; I604-W653 HydrophobicContact CG1-CZ2 4.45Å; W607-W653 HydrophobicContact CB-CH2 4.15Å; W607-W653 HydrophobicContact CB-CZ2 4.23Å; W607-W653 HydrophobicContact CG-CH2 4.5Å; R634-W653 HydrophobicContact CB-CE3 4.17Å; R634-W653 HydrophobicContact CG-CE3 4.49Å; R634-W653 VanDerWaalsContact CZ-O 3.28Å; R634-W653 PolarHBondContact NE-O 2.82Å; R634-W653 PolarHBondContact NH2-O 2.82Å; L635-W653 HydrophobicContact CB-CH2 3.77Å; L635-W653 HydrophobicContact CB-CZ2 4.49Å; L635-W653 HydrophobicContact CB-CZ3 4.06Å; L635-W653 HydrophobicContact CD1-CH2 4.07Å; L635-W653 HydrophobicContact CD1-CZ2 4Å; L635-W653 HydrophobicContact CG-CH2 4.41Å; Y646-W653 HydrophobicContact CE2-CZ3 4.33Å; M649-W653 HydrophobicContact CB-CH2 4.15Å; M649-W653 HydrophobicContact CB-CZ3 4.45Å; Y650-W653 HydrophobicContact CD2-CE3 4.21Å; Y650-W653 PolarHBondContact O-N 3.17Å; S651-W653 PolarHBondContact O-N 3.09Å; W653-E655 PolarHBondContact O-N 2.85Å
654H96.5Very high96.4Very high81 Ų8153.6 Ų53.638%0.37526%0.264SS..  trans-61.2138170.7-164.8-73.7000110.5L656 K659 R660H654-L656 PolarHBondContact ND1-N 3.09Å; H654-L656 PolarHBondContact ND1-O 3.5Å; H654-L656 PolarHBondContact O-N 2.98Å; H654-K659 HydrophobicContact CB-CB 4.18Å; H654-K659 VanDerWaalsContact CG-CB 3.5Å; H654-K659 VanDerWaalsContact ND1-CB 3.33Å; H654-K659 WeakPolarHBondContact ND1-CB 3.46Å; H654-R660 HydrophobicContact CB-CG 3.95Å; H654-R660 PolarHBondContact O-NE 3.11Å; H654-R660 PolarHBondContact O-NH2 3.16Å
655E86.3Confident96.4Very high75 Ų7554.8 Ų54.835%0.3526%0.263SS..SBendtrans-55.6-52.5-179.5-70.9-63.616200111.2G632 R634 W653 P657 R660G632-E655 WeakPolarHBondContact CA-OE1 3.23Å; R634-E655 IonicContact CZ-OE1 3.01Å; R634-E655 VanDerWaalsContact CZ-OE1 3.26Å; R634-E655 IonicContact NH1-OE1 3.47Å; R634-E655 PolarHBondContact NH1-OE1 3.02Å; R634-E655 IonicContact NH2-OE1 3.83Å; R634-E655 PolarHBondContact NH2-OE1 2.9Å; R634-E655 IonicContact NH2-OE2 3.43Å; W653-E655 PolarHBondContact O-N 2.85Å; E655-P657 WeakPolarHBondContact O-CD 3.34Å; E655-R660 PolarHBondContact O-NH2 3.04Å
656L86.8Confident96.5Very high84 Ų8454.2 Ų54.244%0.4426%0.261SS..SBendtrans-73.2120.2175.1-62.6178.5000111.7H654 E658 K659H654-L656 PolarHBondContact ND1-N 3.09Å; H654-L656 PolarHBondContact ND1-O 3.5Å; H654-L656 PolarHBondContact O-N 2.98Å; L656-E658 VanDerWaalsContact C-N 3.31Å; L656-E658 WeakPolarHBondContact CB-OE1 3.36Å; L656-E658 PolarHBondContact O-N 2.84Å; L656-K659 HydrophobicContact CB-CB 4.3Å; L656-K659 HydrophobicContact CB-CG 3.91Å; L656-K659 HydrophobicContact CD1-CG 4.24Å; L656-K659 PolarHBondContact O-N 3.05Å; L656-K659 VanDerWaalsContact O-N 3.17Å
657P92.3Very high96.4Very high34 Ų3453.3 Ų53.322%0.22126%0.258CS..G310 helixtrans-57.6-38.9-178.6-25.634.7000114.1E586 K596 E655 K659 R660E586-P657 HydrophobicContact CG-CG 4.23Å; K596-P657 HydrophobicContact CB-CB 3.83Å; K596-P657 HydrophobicContact CG-CB 4.37Å; K596-P657 WeakPolarHBondContact CG-O 3.5Å; E655-P657 WeakPolarHBondContact O-CD 3.34Å; P657-K659 PolarHBondContact O-N 2.85Å; P657-R660 WeakPolarHBondContact O-CB 3.32Å; P657-R660 PolarHBondContact O-N 3.28Å; P657-R660 VanDerWaalsContact O-N 3.07Å
658E91.8Very high96.2Very high125 Ų12551.2 Ų51.258%0.58426%0.256SS*.G310 helixtrans-68.6-16-178.570.8-79.1-175.300113.9L656L656-E658 VanDerWaalsContact C-N 3.31Å; L656-E658 WeakPolarHBondContact CB-OE1 3.36Å; L656-E658 PolarHBondContact O-N 2.84Å
659K95.3Very high96.1Very high136 Ų13653.5 Ų53.559%0.59127%0.273SS*.G310 helixtrans-90.9-8.1175-63.7-63-175-177.40112.8H654 L656 P657H654-K659 HydrophobicContact CB-CB 4.18Å; H654-K659 VanDerWaalsContact CG-CB 3.5Å; H654-K659 VanDerWaalsContact ND1-CB 3.33Å; H654-K659 WeakPolarHBondContact ND1-CB 3.46Å; L656-K659 HydrophobicContact CB-CB 4.3Å; L656-K659 HydrophobicContact CB-CG 3.91Å; L656-K659 HydrophobicContact CD1-CG 4.24Å; L656-K659 PolarHBondContact O-N 3.05Å; L656-K659 VanDerWaalsContact O-N 3.17Å; P657-K659 PolarHBondContact O-N 2.85Å
660R98.4Very high95.9Very high4 Ų453.5 Ų53.52%0.01527%0.273CS..SBendtrans-76.2143173-56.7173.3-164.8154.411.2109E586 K596 V599 C652 H654 E655 P657E586-R660 IonicContact OE1-CZ 2.72Å; E586-R660 IonicContact OE1-NH1 3.73Å; E586-R660 PolarHBondContact OE1-NH1 3.02Å; E586-R660 IonicContact OE1-NH2 3.14Å; E586-R660 PolarHBondContact OE1-NH2 2.88Å; E586-R660 IonicContact OE2-CZ 2.61Å; E586-R660 IonicContact OE2-NH1 3.28Å; E586-R660 IonicContact OE2-NH2 2.77Å; E586-R660 PolarHBondContact OE2-NH2 2.88Å; K596-R660 HydrophobicContact CD-CB 4.36Å; K596-R660 PolarHBondContact NZ-O 2.95Å; K596-R660 WeakPolarHBondContact O-CD 3.44Å; K596-R660 PolarHBondContact O-NH1 3Å; V599-R660 HydrophobicContact CG1-CB 3.96Å; C652-R660 VanDerWaalsContact O-CD 3.25Å; C652-R660 WeakPolarHBondContact O-CD 3.37Å; H654-R660 HydrophobicContact CB-CG 3.95Å; H654-R660 PolarHBondContact O-NE 3.11Å; H654-R660 PolarHBondContact O-NH2 3.16Å; E655-R660 PolarHBondContact O-NH2 3.04Å; P657-R660 WeakPolarHBondContact O-CB 3.32Å; P657-R660 PolarHBondContact O-N 3.28Å; P657-R660 VanDerWaalsContact O-N 3.07Å
661P98.6Very high95.5Very high17 Ų1751.3 Ų51.311%0.1127%0.267CS..PPolyproline II helixtrans-62.4162.8178.328.3-35.6000111.5K596 V599 S651 Q665 L666K596-P661 PolarHBondContact NZ-O 2.88Å; V599-P661 HydrophobicContact CG1-CG 4.28Å; V599-P661 WeakPolarHBondContact CG2-O 3.43Å; S651-P661 WeakPolarHBondContact O-CD 3.43Å; P661-Q665 VanDerWaalsContact CA-OE1 3.28Å; P661-Q665 HydrophobicContact CB-CB 4.02Å; P661-L666 HydrophobicContact CB-CD2 4.24Å; P661-L666 HydrophobicContact CB-CG 4.04Å; P661-L666 HydrophobicContact CG-CD1 4.15Å; P661-L666 HydrophobicContact CG-CD2 3.55Å; P661-L666 HydrophobicContact CG-CG 3.7Å
662T98.5Very high95.1Very high41 Ų4152.1 Ų52.125%0.25227%0.271SS..PPolyproline II helixtrans-79.7163.4163.162.80000110E532 Q664 Q665 L666E532-T662 WeakPolarHBondContact OE1-CA 3.26Å; E532-T662 WeakPolarHBondContact OE1-CB 3.5Å; E532-T662 WeakPolarHBondContact OE2-CB 3.45Å; T662-Q664 PolarHBondContact O-N 2.98Å; T662-Q665 PolarHBondContact O-N 2.84Å; T662-Q665 VanDerWaalsContact O-N 3.15Å; T662-Q665 VanDerWaalsContact OG1-CG 3.29Å; T662-Q665 WeakPolarHBondContact OG1-CG 3.46Å; T662-Q665 PolarHBondContact OG1-N 2.88Å; T662-Q665 VanDerWaalsContact OG1-N 3.16Å; T662-L666 WeakPolarHBondContact O-CG 3.42Å; T662-L666 PolarHBondContact O-N 2.97Å
663F98.6Very high94.6Very high2 Ų253.7 Ų53.71%0.00928%0.279CS..Hα-helixtrans-62.5-34173.7-78.5-75.5000111.8M528 A529 E532 L541 D598 V599 F602 Q665 L666 L667M528-F663 HydrophobicContact CB-CD1 3.46Å; M528-F663 VanDerWaalsContact CB-CD1 3.46Å; M528-F663 HydrophobicContact CB-CD2 3.99Å; M528-F663 HydrophobicContact CB-CE1 3.32Å; M528-F663 HydrophobicContact CB-CE2 3.87Å; M528-F663 HydrophobicContact CB-CG 3.8Å; M528-F663 HydrophobicContact CB-CZ 3.54Å; M528-F663 HydrophobicContact CE-CE2 3.9Å; M528-F663 HydrophobicContact CE-CZ 3.79Å; M528-F663 HydrophobicContact CG-CD1 4.45Å; M528-F663 HydrophobicContact CG-CE1 3.87Å; M528-F663 HydrophobicContact CG-CZ 3.96Å; A529-F663 HydrophobicContact CB-CB 3.8Å; E532-F663 HydrophobicContact CB-CD2 4.12Å; E532-F663 PolarHBondContact OE1-N 3.35Å; E532-F663 PolarHBondContact OE2-N 3.13Å; L541-F663 HydrophobicContact CD2-CZ 4.48Å; D598-F663 HydrophobicContact CB-CE2 3.99Å; D598-F663 HydrophobicContact CB-CZ 4.1Å; V599-F663 HydrophobicContact CG2-CD2 3.88Å; V599-F663 HydrophobicContact CG2-CE2 3.63Å; V599-F663 HydrophobicContact CG2-CG 4.43Å; V599-F663 HydrophobicContact CG2-CZ 3.98Å; F602-F663 HydrophobicContact CB-CE1 3.65Å; F602-F663 HydrophobicContact CB-CZ 3.99Å; F602-F663 HydrophobicContact CD1-CE1 4.16Å; F602-F663 HydrophobicContact CD2-CE1 4.11Å; F602-F663 AromaticContact CG-CE1 3.71Å; F602-F663 HydrophobicContact CG-CE1 3.71Å; F663-Q665 VanDerWaalsContact C-N 3.35Å; F663-Q665 PolarHBondContact O-N 2.93Å; F663-L666 HydrophobicContact CD1-CD1 4.13Å; F663-L666 HydrophobicContact CE1-CD1 4.47Å; F663-L666 WeakPolarHBondContact O-CB 3.43Å; F663-L666 PolarHBondContact O-N 2.78Å; F663-L667 PolarHBondContact O-N 3.4Å
664Q98Very high93.9Very high113 Ų11356.2 Ų56.253%0.52829%0.289SS..Hα-helixtrans-62.1-39.5173-170.561.932.100113.1T662 S668T662-Q664 PolarHBondContact O-N 2.98Å; Q664-S668 PolarHBondContact O-N 3.13Å; Q664-S668 VanDerWaalsContact O-N 3.14Å; Q664-S668 PolarHBondContact O-OG 3.13Å
665Q98.3Very high92.5Very high105 Ų10558.3 Ų58.349%0.49130%0.299SS..Hα-helixtrans-69.1-36.7175.7-74169.7-24.300111.6P661 T662 F663 S668 S669P661-Q665 VanDerWaalsContact CA-OE1 3.28Å; P661-Q665 HydrophobicContact CB-CB 4.02Å; T662-Q665 PolarHBondContact O-N 2.84Å; T662-Q665 VanDerWaalsContact O-N 3.15Å; T662-Q665 VanDerWaalsContact OG1-CG 3.29Å; T662-Q665 WeakPolarHBondContact OG1-CG 3.46Å; T662-Q665 PolarHBondContact OG1-N 2.88Å; T662-Q665 VanDerWaalsContact OG1-N 3.16Å; F663-Q665 VanDerWaalsContact C-N 3.35Å; F663-Q665 PolarHBondContact O-N 2.93Å; Q665-S668 PolarHBondContact O-N 2.87Å; Q665-S669 PolarHBondContact O-N 3.07Å; Q665-S669 PolarHBondContact O-OG 3.19Å
666L98.5Very high91.1Very high1 Ų162.6 Ų62.61%0.00532%0.316CS..Hα-helixtrans-64-45.9174.4-72.5168.8000111.6V599 F602 I648 P661 T662 F663 S668 S669 I670V599-L666 HydrophobicContact CG1-CD1 4.15Å; F602-L666 HydrophobicContact CD1-CD1 3.71Å; F602-L666 HydrophobicContact CE1-CD1 3.92Å; I648-L666 HydrophobicContact CG2-CD2 3.65Å; P661-L666 HydrophobicContact CB-CD2 4.24Å; P661-L666 HydrophobicContact CB-CG 4.04Å; P661-L666 HydrophobicContact CG-CD1 4.15Å; P661-L666 HydrophobicContact CG-CD2 3.55Å; P661-L666 HydrophobicContact CG-CG 3.7Å; T662-L666 WeakPolarHBondContact O-CG 3.42Å; T662-L666 PolarHBondContact O-N 2.97Å; F663-L666 HydrophobicContact CD1-CD1 4.13Å; F663-L666 HydrophobicContact CE1-CD1 4.47Å; F663-L666 WeakPolarHBondContact O-CB 3.43Å; F663-L666 PolarHBondContact O-N 2.78Å; L666-S668 VanDerWaalsContact C-N 3.32Å; L666-S668 PolarHBondContact O-N 3.26Å; L666-S669 WeakPolarHBondContact O-CA 3.49Å; L666-S669 WeakPolarHBondContact O-CB 3.44Å; L666-S669 PolarHBondContact O-N 2.72Å; L666-I670 VanDerWaalsContact O-CG1 3.3Å; L666-I670 WeakPolarHBondContact O-CG1 3.42Å; L666-I670 PolarHBondContact O-N 3.33Å
667L96.3Very high89.2Confident16 Ų1663.8 Ų63.88%0.08432%0.323CS..Hα-helixtrans-54.1-49.5173.3-76.7174000111.5Y522 C525 E526 A529 F663 S669 I670 E671Y522-L667 HydrophobicContact CD2-CD2 3.88Å; Y522-L667 HydrophobicContact CE2-CD2 3.48Å; Y522-L667 VanDerWaalsContact CE2-CD2 3.48Å; C525-L667 HydrophobicContact CB-CD2 3.83Å; C525-L667 HydrophobicContact CB-CG 4.38Å; E526-L667 HydrophobicContact CB-CD2 4.14Å; A529-L667 HydrophobicContact CB-CD1 3.6Å; F663-L667 PolarHBondContact O-N 3.4Å; L667-S669 PolarHBondContact O-N 3.28Å; L667-S669 VanDerWaalsContact O-N 3.17Å; L667-I670 PolarHBondContact O-N 3.21Å; L667-I670 VanDerWaalsContact O-N 3.12Å; L667-E671 WeakPolarHBondContact O-CB 3.33Å; L667-E671 PolarHBondContact O-N 2.9Å
668S95.7Very high86.5Confident73 Ų7370 Ų7051%0.5135%0.346SS..Hα-helixtrans-61.6-25.9178.8-53.10000113Q664 Q665 L666 P672Q664-S668 PolarHBondContact O-N 3.13Å; Q664-S668 VanDerWaalsContact O-N 3.14Å; Q664-S668 PolarHBondContact O-OG 3.13Å; Q665-S668 PolarHBondContact O-N 2.87Å; L666-S668 VanDerWaalsContact C-N 3.32Å; L666-S668 PolarHBondContact O-N 3.26Å; S668-P672 VanDerWaalsContact O-CD 3.31Å; S668-P672 WeakPolarHBondContact O-CD 3.15Å
669S95.9Very high83.8Confident61 Ų6173.6 Ų73.643%0.42738%0.381SS..Hα-helixtrans-85.3-30.4177.7-55.90000112.8Q665 L666 L667Q665-S669 PolarHBondContact O-N 3.07Å; Q665-S669 PolarHBondContact O-OG 3.19Å; L666-S669 WeakPolarHBondContact O-CA 3.49Å; L666-S669 WeakPolarHBondContact O-CB 3.44Å; L666-S669 PolarHBondContact O-N 2.72Å; L667-S669 PolarHBondContact O-N 3.28Å; L667-S669 VanDerWaalsContact O-N 3.17Å
670I93.5Very high83.2Confident0 Ų070.5 Ų70.50%037%0.37CS..Hα-helixtrans-83.9-38.6-179.1-65.8166.3000111L518 Y522 C525 F602 M606 I648 L666 L667 L673 R674L518-I670 HydrophobicContact CD1-CG2 3.86Å; L518-I670 HydrophobicContact CD2-CG2 4.49Å; L518-I670 HydrophobicContact CG-CG2 4.05Å; Y522-I670 HydrophobicContact CD2-CB 4.38Å; Y522-I670 HydrophobicContact CD2-CG2 3.86Å; Y522-I670 HydrophobicContact CG-CG2 4.5Å; C525-I670 HydrophobicContact CB-CD1 4.38Å; F602-I670 HydrophobicContact CE1-CD1 4.35Å; F602-I670 HydrophobicContact CZ-CD1 4.14Å; M606-I670 HydrophobicContact CE-CD1 4.46Å; I648-I670 HydrophobicContact CD1-CG1 4.11Å; I648-I670 HydrophobicContact CG2-CG1 4.37Å; L666-I670 VanDerWaalsContact O-CG1 3.3Å; L666-I670 WeakPolarHBondContact O-CG1 3.42Å; L666-I670 PolarHBondContact O-N 3.33Å; L667-I670 PolarHBondContact O-N 3.21Å; L667-I670 VanDerWaalsContact O-N 3.12Å; I670-L673 WeakPolarHBondContact O-CB 2.76Å; I670-L673 PolarHBondContact O-N 3.44Å; I670-R674 HydrophobicContact CG2-CG 4.37Å; I670-R674 PolarHBondContact O-N 3.12Å
671E90.3Very high82.4Confident63 Ų6373.9 Ų73.929%0.29439%0.389SS..Hα-helixtrans-50.5-49.7-174.9-167.866.9-172.300113.9Y522 L667 L673 R674Y522-E671 WeakPolarHBondContact CE2-OE2 3.17Å; Y522-E671 PolarHBondContact OH-OE2 3.2Å; L667-E671 WeakPolarHBondContact O-CB 3.33Å; L667-E671 PolarHBondContact O-N 2.9Å; E671-L673 PolarHBondContact O-N 2.91Å; E671-L673 VanDerWaalsContact O-N 3.09Å; E671-R674 VanDerWaalsContact CD-NH1 3.25Å; E671-R674 WeakPolarHBondContact O-CB 3.31Å; E671-R674 PolarHBondContact O-N 2.89Å; E671-R674 IonicContact OE1-NH1 2.8Å; E671-R674 PolarHBondContact OE1-NH1 2.89Å; E671-R674 IonicContact OE2-CZ 3.24Å; E671-R674 IonicContact OE2-NH1 3.66Å; E671-R674 PolarHBondContact OE2-NH1 2.8Å
672P90.3Very high81.6Confident62 Ų6277.1 Ų77.140%0.40340%0.404SS..Hα-helixtrans-68.4-15.9-177.4-17.933.3000113.5S668S668-P672 VanDerWaalsContact O-CD 3.31Å; S668-P672 WeakPolarHBondContact O-CD 3.15Å
673L88.6Confident80.6Confident32 Ų3279.2 Ų79.217%0.16841%0.413CS..Hα-helixtrans-83.6-20.6177.3-55.6-179.3000111.7L518 T644 I645 I648 I670 E671L518-L673 HydrophobicContact CD2-CB 3.71Å; T644-L673 HydrophobicContact CG2-CD1 3.95Å; T644-L673 HydrophobicContact CG2-CD2 4.03Å; I645-L673 HydrophobicContact CG1-CD1 4.2Å; I648-L673 HydrophobicContact CD1-CD1 3.71Å; I670-L673 WeakPolarHBondContact O-CB 2.76Å; I670-L673 PolarHBondContact O-N 3.44Å; E671-L673 PolarHBondContact O-N 2.91Å; E671-L673 VanDerWaalsContact O-N 3.09Å
674R84.2Confident79.4Confident56 Ų5684.1 Ų84.121%0.21144%0.439CS..Hα-helixtrans-75.2-32.5175.4-59.9169.863.7-146.21.1112L518 E519 Y522 I670 E671L518-R674 HydrophobicContact CD2-CG 4.16Å; L518-R674 HydrophobicContact CG-CG 4.5Å; E519-R674 VanDerWaalsContact CD-NE 3.29Å; E519-R674 WeakPolarHBondContact OE1-CG 3.15Å; E519-R674 IonicContact OE1-CZ 2.67Å; E519-R674 IonicContact OE1-NE 2.65Å; E519-R674 PolarHBondContact OE1-NE 3.27Å; E519-R674 IonicContact OE1-NH2 3.56Å; E519-R674 PolarHBondContact OE1-NH2 3.01Å; E519-R674 IonicContact OE2-CZ 2.67Å; E519-R674 IonicContact OE2-NE 2.77Å; E519-R674 PolarHBondContact OE2-NE 3.15Å; E519-R674 VanDerWaalsContact OE2-NE 3.14Å; E519-R674 IonicContact OE2-NH2 3.3Å; E519-R674 PolarHBondContact OE2-NH2 3.28Å; Y522-R674 VanDerWaalsContact CE1-NH1 3.32Å; Y522-R674 VanDerWaalsContact CZ-NH1 3.27Å; I670-R674 HydrophobicContact CG2-CG 4.37Å; I670-R674 PolarHBondContact O-N 3.12Å; E671-R674 VanDerWaalsContact CD-NH1 3.25Å; E671-R674 WeakPolarHBondContact O-CB 3.31Å; E671-R674 PolarHBondContact O-N 2.89Å; E671-R674 IonicContact OE1-NH1 2.8Å; E671-R674 PolarHBondContact OE1-NH1 2.89Å; E671-R674 IonicContact OE2-CZ 3.24Å; E671-R674 IonicContact OE2-NH1 3.66Å; E671-R674 PolarHBondContact OE2-NH1 2.8Å
675E66.2Low78.2Confident125 Ų12582.1 Ų82.158%0.58443%0.433SS*.Hα-helixtrans-81-25.8-175.5-63.5-174.3154.100114D677 K678E675-D677 PolarHBondContact O-N 2.83Å; E675-K678 PolarHBondContact O-N 2.83Å
676K56.3Low76.8Confident164 Ų16480.5 Ų80.571%0.71343%0.429SS*.THydrogen-bonded Turntrans-69.3-13.3-177-76.7-179179.7-179.80114.8
677D47.7Very low75.1Confident109 Ų10986.6 Ų86.658%0.58346%0.461SS*.THydrogen-bonded Turntrans-1089-178.7-70.5-24.8000113.3E675E675-D677 PolarHBondContact O-N 2.83Å
678K35.8Very low73.3Confident164 Ų16492.5 Ų92.571%0.71349%0.493SS*.  trans-85.7119.5167.7-73.8-178.4-178.6171.50108.8E675E675-K678 PolarHBondContact O-N 2.83Å
679P35.4Very low71.3Confident201 Ų20194.3 Ų94.3100%1.30549%0.491SS*.  trans-63.60-177.526.1-34.2000113.6

Retrieved 679 of 679 residues in 1527.7 ms (Link to these results)

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