A0A096LST6_POEFO Loading...

Poly [ADP-ribose] polymerase

AlphaFold DB , UniProt , Accession A0A096LST6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,120 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
1M33.2Very low62Low208 Ų20848.1 Ų48.1100%1.02525%0.249SC*.  0102.50-91-163.4-93.700107G3 A26M1-G3 PolarHBondContact O-N 2.81Å; M1-A26 HydrophobicContact SD-CB 4.4Å
2L47.6Very low63Low118 Ų11848.9 Ų48.962%0.61825%0.251SS*.  trans-73.4113.5168.1-72.6154.2000106.3
3G56.1Low63.4Low17 Ų1748.8 Ų48.818%0.17525%0.249CC..PPolyproline II helixtrans-84.6150169.400000109.1M1 S25 P97M1-G3 PolarHBondContact O-N 2.81Å; G3-S25 CarbonylContact C-O 3.55Å; G3-S25 WeakPolarHBondContact CA-O 3.32Å; G3-P97 WeakPolarHBondContact O-CB 3.18Å; G3-P97 WeakPolarHBondContact O-CG 3.49Å
4F63.6Low63.5Low50 Ų5056.1 Ų56.122%0.21929%0.289CS..EExtended strand (participates in β ladder)trans-102.3141169.1-62.9-82.5000108.8Q24 S25 E271 R807 L811F4-Q24 CarbonylContact O-C 3.51Å; F4-Q24 WeakPolarHBondContact O-CA 3.23Å; F4-Q24 WeakPolarHBondContact O-CB 3.31Å; F4-S25 PolarHBondContact N-O 2.89Å; F4-S25 PolarHBondContact O-N 3.46Å; F4-E271 HydrophobicContact CE1-CG 4.28Å; F4-R807 VanDerWaalsContact CE1-NH2 3.33Å; F4-L811 HydrophobicContact CB-CD1 3.93Å; F4-L811 HydrophobicContact CB-CD2 4.17Å; F4-L811 HydrophobicContact CD2-CD2 3.74Å; F4-L811 HydrophobicContact CE2-CD2 4.27Å; F4-L811 HydrophobicContact CG-CD1 4.22Å; F4-L811 HydrophobicContact CG-CD2 3.88Å
5V66.1Low63.4Low15 Ų1555.8 Ų55.89%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-89.8129.4166.3171.70000107.7E22 L23 Q24 S95 P97 L98 L101V5-E22 HydrophobicContact CG2-CB 4.5Å; V5-E22 VanDerWaalsContact CG2-OE2 3.3Å; V5-E22 WeakPolarHBondContact CG2-OE2 3.39Å; V5-L23 WeakPolarHBondContact CA-O 3.49Å; V5-Q24 HydrophobicContact CG2-CG 3.89Å; V5-S95 VanDerWaalsContact CG2-OG 3.31Å; V5-S95 WeakPolarHBondContact CG2-OG 3.47Å; V5-P97 HydrophobicContact CB-CB 4.41Å; V5-P97 HydrophobicContact CG2-CB 3.95Å; V5-L98 HydrophobicContact CG1-CD1 4.19Å; V5-L98 HydrophobicContact CG2-CB 4.05Å; V5-L101 HydrophobicContact CG1-CD1 4.29Å
6L63.9Low63.6Low30 Ų3056.1 Ų56.116%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-102.7-39.1-173.5-83.1166.6000112.2L23 Y34 L811 L812L6-L23 HydrophobicContact CB-CB 4.16Å; L6-L23 HydrophobicContact CB-CD2 4.04Å; L6-L23 HydrophobicContact CB-CG 3.88Å; L6-L23 WeakPolarHBondContact CB-O 3.45Å; L6-L23 HydrophobicContact CD1-CD2 4Å; L6-L23 HydrophobicContact CD1-CG 3.82Å; L6-L23 PolarHBondContact N-O 3.13Å; L6-Y34 HydrophobicContact CD1-CD1 4.23Å; L6-Y34 HydrophobicContact CD1-CE1 4.19Å; L6-L811 HydrophobicContact CD2-CB 3.27Å; L6-L811 HydrophobicContact CD2-CD1 3.7Å; L6-L811 HydrophobicContact CD2-CG 4.12Å; L6-L811 HydrophobicContact CG-CB 4.24Å; L6-L811 HydrophobicContact CG-CD1 4.49Å; L6-L812 HydrophobicContact CD1-CD2 3.73Å; L6-L812 HydrophobicContact CD1-CG 4.06Å; L6-L812 HydrophobicContact CD2-CD1 4.13Å; L6-L812 HydrophobicContact CD2-CD2 4.5Å; L6-L812 HydrophobicContact CD2-CG 3.89Å
7M67.3Low64.2Low23 Ų2359.4 Ų59.411%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-150.1141.6-177.7-57.2174-179.900107.5E22 L23 V65 Y68 L774 L812M7-E22 WeakPolarHBondContact O-CA 3.29Å; M7-L23 HydrophobicContact CB-CB 4.15Å; M7-L23 HydrophobicContact CE-CD2 4.3Å; M7-L23 HydrophobicContact CG-CD2 4.27Å; M7-L23 PolarHBondContact O-N 2.69Å; M7-L23 HydrophobicContact SD-CD2 3.87Å; M7-V65 HydrophobicContact CE-CG1 4.35Å; M7-V65 HydrophobicContact CE-CG2 3.9Å; M7-Y68 HydrophobicContact CB-CD1 4.26Å; M7-Y68 HydrophobicContact CB-CE1 3.62Å; M7-Y68 HydrophobicContact CB-CE2 3.91Å; M7-Y68 VanDerWaalsContact CB-CZ 3.41Å; M7-Y68 WeakPolarHBondContact CB-OH 3.38Å; M7-Y68 HydrophobicContact CG-CE1 4.25Å; M7-Y68 HydrophobicContact SD-CD1 3.59Å; M7-Y68 VanDerWaalsContact SD-CD1 3.59Å; M7-Y68 HydrophobicContact SD-CE1 3.68Å; M7-Y68 HydrophobicContact SD-CG 4.27Å; M7-L774 HydrophobicContact CE-CD1 3.64Å; M7-L774 HydrophobicContact CE-CG 3.91Å; M7-L774 HydrophobicContact CG-CD1 4.42Å; M7-L774 HydrophobicContact SD-CD1 3.55Å; M7-L774 VanDerWaalsContact SD-CD1 3.55Å; M7-L774 HydrophobicContact SD-CD2 4.34Å; M7-L774 HydrophobicContact SD-CG 4.02Å; M7-L812 HydrophobicContact CE-CD1 3.94Å
8E74.7Confident64.9Low52 Ų5256.2 Ų56.224%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-134.5154.3167.472.3-79.7164.600114.1V20 L21 Y68 L98 L101E8-V20 HydrophobicContact CB-CG1 4.41Å; E8-L21 WeakPolarHBondContact CA-O 3.13Å; E8-L21 WeakPolarHBondContact CB-O 3.33Å; E8-Y68 VanDerWaalsContact CA-OH 3.24Å; E8-Y68 WeakPolarHBondContact CA-OH 3.43Å; E8-Y68 PolarHBondContact N-OH 3.12Å; E8-Y68 PolarHBondContact O-OH 2.72Å; E8-L98 HydrophobicContact CB-CD1 3.87Å; E8-L98 HydrophobicContact CG-CD1 3.6Å; E8-L101 WeakPolarHBondContact OE1-CD2 3.43Å; E8-L101 VanDerWaalsContact OE2-CD1 3.3Å; E8-L101 WeakPolarHBondContact OE2-CD1 3.37Å
9V67.1Low65.8Low8 Ų853.4 Ų53.45%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-132.1115.2167.5166.40000107.7L11 V20 L21 Y68V9-L11 HydrophobicContact CG1-CD1 3.76Å; V9-L11 HydrophobicContact CG1-CD2 4.42Å; V9-L11 HydrophobicContact CG1-CG 3.73Å; V9-V20 WeakPolarHBondContact O-CA 3.46Å; V9-L21 PolarHBondContact N-O 2.78Å; V9-L21 VanDerWaalsContact N-O 3.1Å; V9-L21 PolarHBondContact O-N 3.44Å; V9-Y68 WeakPolarHBondContact CG2-OH 3.35Å; V9-Y68 PolarHBondContact N-OH 3.06Å
10C71.4Confident66.7Low7 Ų750.7 Ų50.75%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-96131.9171.1-172.60000109.9C19 V20 M83C10-C19 WeakPolarHBondContact CA-O 3.45Å; C10-V20 HydrophobicContact CB-CG2 4.32Å; C10-M83 HydrophobicContact CB-CB 4.32Å; C10-M83 PolarHBondContact O-N 3.44Å
11L70.9Confident67.6Low1 Ų148.3 Ų48.31%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-134.1139.7-174.1-79.1165000110.2V9 F18 C19 L75 L80 Q81 R82V9-L11 HydrophobicContact CG1-CD1 3.76Å; V9-L11 HydrophobicContact CG1-CD2 4.42Å; V9-L11 HydrophobicContact CG1-CG 3.73Å; L11-F18 WeakPolarHBondContact O-CA 3.42Å; L11-C19 HydrophobicContact CB-CB 4.37Å; L11-C19 PolarHBondContact N-O 2.93Å; L11-C19 PolarHBondContact O-N 3.41Å; L11-L75 HydrophobicContact CD1-CB 3.41Å; L11-L75 VanDerWaalsContact CD1-CB 3.41Å; L11-L75 HydrophobicContact CD1-CD1 4.05Å; L11-L75 HydrophobicContact CD1-CG 4.23Å; L11-L80 HydrophobicContact CB-CB 3.98Å; L11-L80 HydrophobicContact CB-CD1 4.08Å; L11-L80 HydrophobicContact CB-CG 4.48Å; L11-L80 HydrophobicContact CD1-CB 4.43Å; L11-L80 HydrophobicContact CD1-CD1 4.22Å; L11-L80 HydrophobicContact CD2-CB 3.93Å; L11-L80 HydrophobicContact CG-CB 4.35Å; L11-Q81 WeakPolarHBondContact CA-O 3.17Å; L11-R82 HydrophobicContact CD2-CB 4.03Å
12Q73.8Confident70.2Confident58 Ų5838.4 Ų38.427%0.27121%0.21SC..EExtended strand (participates in β ladder)trans-124.3138-177.1-170.9177.923.300112.7G15 R17 F18 Q81 M83Q12-G15 VanDerWaalsContact NE2-CA 3.34Å; Q12-R17 WeakPolarHBondContact CA-O 3.3Å; Q12-F18 HydrophobicContact CB-CD1 4.27Å; Q12-F18 HydrophobicContact CB-CE1 4.07Å; Q12-F18 HydrophobicContact CG-CD1 4.14Å; Q12-F18 HydrophobicContact CG-CE1 3.61Å; Q12-F18 HydrophobicContact CG-CZ 3.96Å; Q12-Q81 PolarHBondContact N-O 3.13Å; Q12-Q81 PolarHBondContact O-N 3.26Å; Q12-M83 HydrophobicContact CB-CG 3.95Å; Q12-M83 HydrophobicContact CB-SD 3.64Å; Q12-M83 HydrophobicContact CG-SD 4.31Å
13E68.8Low72.1Confident48 Ų4832.8 Ų32.822%0.22418%0.181CC..EExtended strand (participates in β ladder)trans-114.3119.9170.1-144.1-169.7155.900109.8G15 S16 R17 L80E13-G15 PolarHBondContact O-N 3.05Å; E13-S16 PolarHBondContact O-N 3.35Å; E13-S16 VanDerWaalsContact O-N 3.11Å; E13-R17 HydrophobicContact CB-CB 4.05Å; E13-R17 PolarHBondContact N-O 3.46Å; E13-R17 PolarHBondContact O-N 3.4Å; E13-R17 IonicContact OE1-NH1 3.02Å; E13-R17 WeakPolarHBondContact OE2-CD 3.25Å; E13-R17 IonicContact OE2-NH1 3.54Å; E13-R17 PolarHBondContact OE2-NH1 3.24Å; E13-R17 VanDerWaalsContact OE2-NH1 3.15Å; E13-L80 HydrophobicContact CB-CD2 3.49Å; E13-L80 VanDerWaalsContact CB-CD2 3.49Å; E13-L80 HydrophobicContact CG-CD2 3.89Å
14N64.3Low73.6Confident151 Ų15132.1 Ų32.181%0.80717%0.173SC*.THydrogen-bonded Turntrans47.332.6167.3-66.3-31000116.1S16N14-S16 VanDerWaalsContact C-N 3.28Å; N14-S16 PolarHBondContact O-N 2.86Å
15G62.4Low74.6Confident51 Ų5129.8 Ų29.853%0.52616%0.163SC..THydrogen-bonded Turntrans79.1-8.3177.500000116.6Q12 E13Q12-G15 VanDerWaalsContact NE2-CA 3.34Å; E13-G15 PolarHBondContact O-N 3.05Å
16S67.3Low75.3Confident60 Ų6030.1 Ų30.142%0.4217%0.167SC..THydrogen-bonded Turntrans-123.2-28-166.257.40000115.4E13 N14 D42E13-S16 PolarHBondContact O-N 3.35Å; E13-S16 VanDerWaalsContact O-N 3.11Å; N14-S16 VanDerWaalsContact C-N 3.28Å; N14-S16 PolarHBondContact O-N 2.86Å; S16-D42 CarbonylContact O-C 3.36Å; S16-D42 VanDerWaalsContact O-O 3.08Å
17R73.3Confident75.8Confident112 Ų11236.8 Ų36.842%0.42320%0.195SC..EExtended strand (participates in β ladder)trans-111.4136178-63.9-174171.1143.3-0.7111.4Q12 E13 K41 D42Q12-R17 WeakPolarHBondContact CA-O 3.3Å; E13-R17 HydrophobicContact CB-CB 4.05Å; E13-R17 PolarHBondContact N-O 3.46Å; E13-R17 PolarHBondContact O-N 3.4Å; E13-R17 IonicContact OE1-NH1 3.02Å; E13-R17 WeakPolarHBondContact OE2-CD 3.25Å; E13-R17 IonicContact OE2-NH1 3.54Å; E13-R17 PolarHBondContact OE2-NH1 3.24Å; E13-R17 VanDerWaalsContact OE2-NH1 3.15Å; R17-K41 WeakPolarHBondContact CA-O 3.39Å; R17-D42 IonicContact NE-OD1 3.15Å
18F77.3Confident75.8Confident2 Ų237.1 Ų37.11%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-125.8139177.2-63.4-91.4000110.8L11 Q12 R40 K41 V44 M83 P87 L93L11-F18 WeakPolarHBondContact O-CA 3.42Å; Q12-F18 HydrophobicContact CB-CD1 4.27Å; Q12-F18 HydrophobicContact CB-CE1 4.07Å; Q12-F18 HydrophobicContact CG-CD1 4.14Å; Q12-F18 HydrophobicContact CG-CE1 3.61Å; Q12-F18 HydrophobicContact CG-CZ 3.96Å; F18-R40 CarbonylContact O-C 3.47Å; F18-R40 WeakPolarHBondContact O-CA 3.14Å; F18-K41 PolarHBondContact N-O 3.32Å; F18-K41 PolarHBondContact O-N 3.3Å; F18-V44 HydrophobicContact CD2-CG2 3.34Å; F18-V44 HydrophobicContact CE2-CG2 3.16Å; F18-V44 HydrophobicContact CZ-CG2 4.23Å; F18-M83 HydrophobicContact CD1-SD 4.02Å; F18-M83 HydrophobicContact CE1-CE 4.45Å; F18-M83 HydrophobicContact CE1-SD 3.7Å; F18-P87 HydrophobicContact CD1-CG 3.64Å; F18-P87 HydrophobicContact CE1-CB 4.24Å; F18-P87 HydrophobicContact CE1-CG 3.11Å; F18-P87 HydrophobicContact CE2-CG 4.43Å; F18-P87 HydrophobicContact CG-CG 4.46Å; F18-P87 HydrophobicContact CZ-CB 4.27Å; F18-P87 HydrophobicContact CZ-CG 3.54Å; F18-L93 HydrophobicContact CB-CD1 4.08Å; F18-L93 HydrophobicContact CB-CD2 3.49Å; F18-L93 VanDerWaalsContact CB-CD2 3.49Å; F18-L93 HydrophobicContact CB-CG 4.48Å; F18-L93 HydrophobicContact CD1-CD2 4.39Å; F18-L93 HydrophobicContact CG-CD2 4.12Å
19C80.8Confident75.3Confident3 Ų344.6 Ų44.62%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-126.9132.7174.1-172.50000109C10 L11 R38 Y39 L80C10-C19 WeakPolarHBondContact CA-O 3.45Å; L11-C19 HydrophobicContact CB-CB 4.37Å; L11-C19 PolarHBondContact N-O 2.93Å; L11-C19 PolarHBondContact O-N 3.41Å; C19-R38 VanDerWaalsContact SG-CD 3.58Å; C19-R38 WeakPolarHBondContact SG-CG 3.42Å; C19-Y39 CarbonylContact C-O 3.5Å; C19-Y39 WeakPolarHBondContact CA-O 3.42Å; C19-L80 HydrophobicContact CB-CD1 4.44Å
20V84.4Confident75.1Confident0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-122.9123.2172.9178.40000108.3E8 V9 C10 E22 R38 Y39 L86 L93 L98E8-V20 HydrophobicContact CB-CG1 4.41Å; V9-V20 WeakPolarHBondContact O-CA 3.46Å; C10-V20 HydrophobicContact CB-CG2 4.32Å; V20-E22 HydrophobicContact CG1-CG 3.74Å; V20-R38 CarbonylContact O-C 3.51Å; V20-R38 WeakPolarHBondContact O-CA 3.44Å; V20-Y39 PolarHBondContact N-O 3.28Å; V20-Y39 PolarHBondContact O-N 2.65Å; V20-L86 HydrophobicContact CG2-CD1 4.49Å; V20-L93 HydrophobicContact CG2-CD1 4.4Å; V20-L93 HydrophobicContact CG2-CD2 3.53Å; V20-L93 HydrophobicContact CG2-CG 3.6Å; V20-L98 HydrophobicContact CG1-CD2 3.54Å
21L85.4Confident75.2Confident0 Ų053.7 Ų53.70%029%0.29CS..EExtended strand (participates in β ladder)trans-97.2132.6167.8-170.869.1000108.1E8 V9 V36 A37 R38 Y68 L71 L75E8-L21 WeakPolarHBondContact CA-O 3.13Å; E8-L21 WeakPolarHBondContact CB-O 3.33Å; V9-L21 PolarHBondContact N-O 2.78Å; V9-L21 VanDerWaalsContact N-O 3.1Å; V9-L21 PolarHBondContact O-N 3.44Å; L21-V36 HydrophobicContact CD1-CG1 3.75Å; L21-V36 HydrophobicContact CG-CG1 4.17Å; L21-A37 CarbonylContact C-O 3.26Å; L21-R38 HydrophobicContact CD1-CB 4.01Å; L21-R38 HydrophobicContact CD1-CG 4.34Å; L21-Y68 HydrophobicContact CB-CE2 4.33Å; L21-Y68 HydrophobicContact CD2-CD2 3.79Å; L21-Y68 HydrophobicContact CD2-CE2 3.75Å; L21-Y68 HydrophobicContact CG-CD2 3.98Å; L21-Y68 HydrophobicContact CG-CE2 3.79Å; L21-L71 HydrophobicContact CD1-CB 4.25Å; L21-L71 HydrophobicContact CD1-CD1 4.3Å; L21-L71 HydrophobicContact CD2-CB 3.79Å; L21-L75 HydrophobicContact CB-CD1 4.07Å; L21-L75 HydrophobicContact CD2-CD1 4.25Å
22E87.8Confident75.7Confident0 Ų056.6 Ų56.60%030%0.301CS..EExtended strand (participates in β ladder)trans-127.3126.6-179.1-59.1-177.6-156.300110V5 M7 V20 Q24 V36 A37 Y39 G94 S95 L98V5-E22 HydrophobicContact CG2-CB 4.5Å; V5-E22 VanDerWaalsContact CG2-OE2 3.3Å; V5-E22 WeakPolarHBondContact CG2-OE2 3.39Å; M7-E22 WeakPolarHBondContact O-CA 3.29Å; V20-E22 HydrophobicContact CG1-CG 3.74Å; E22-Q24 HydrophobicContact CB-CG 4.16Å; E22-Q24 PolarHBondContact OE2-NE2 3.47Å; E22-V36 CarbonylContact O-C 3.27Å; E22-V36 WeakPolarHBondContact O-CA 3.45Å; E22-A37 PolarHBondContact N-O 3.5Å; E22-A37 PolarHBondContact O-N 2.96Å; E22-Y39 VanDerWaalsContact CD-CE2 3.43Å; E22-Y39 HydrophobicContact CG-CD2 4.14Å; E22-Y39 HydrophobicContact CG-CE2 4.13Å; E22-Y39 VanDerWaalsContact OE1-CD2 3.27Å; E22-Y39 WeakPolarHBondContact OE1-CD2 3.45Å; E22-Y39 VanDerWaalsContact OE1-CE2 3.24Å; E22-Y39 WeakPolarHBondContact OE1-CE2 3.35Å; E22-G94 WeakPolarHBondContact OE1-CA 3.37Å; E22-S95 PolarHBondContact OE1-N 3.24Å; E22-S95 VanDerWaalsContact OE2-CB 3.26Å; E22-S95 WeakPolarHBondContact OE2-CB 3.42Å; E22-S95 PolarHBondContact OE2-OG 3.05Å; E22-L98 HydrophobicContact CG-CD2 4.3Å; E22-L98 WeakPolarHBondContact OE1-CD2 3.35Å
23L87.4Confident76.4Confident0 Ų060.8 Ų60.80%032%0.315CS..EExtended strand (participates in β ladder)trans-89127.3161174.259.4000108.4V5 L6 M7 V36 A64 V65 Y68 L812V5-L23 WeakPolarHBondContact CA-O 3.49Å; L6-L23 HydrophobicContact CB-CB 4.16Å; L6-L23 HydrophobicContact CB-CD2 4.04Å; L6-L23 HydrophobicContact CB-CG 3.88Å; L6-L23 WeakPolarHBondContact CB-O 3.45Å; L6-L23 HydrophobicContact CD1-CD2 4Å; L6-L23 HydrophobicContact CD1-CG 3.82Å; L6-L23 PolarHBondContact N-O 3.13Å; M7-L23 HydrophobicContact CB-CB 4.15Å; M7-L23 HydrophobicContact CE-CD2 4.3Å; M7-L23 HydrophobicContact CG-CD2 4.27Å; M7-L23 PolarHBondContact O-N 2.69Å; M7-L23 HydrophobicContact SD-CD2 3.87Å; L23-V36 HydrophobicContact CD1-CG2 3.71Å; L23-A64 HydrophobicContact CD1-CB 3.63Å; L23-V65 HydrophobicContact CD2-CG2 4.05Å; L23-Y68 HydrophobicContact CB-CD2 3.73Å; L23-Y68 HydrophobicContact CB-CE2 4.21Å; L23-Y68 HydrophobicContact CB-CG 4.16Å; L23-L812 HydrophobicContact CD2-CD2 4.3Å
24Q87.1Confident77.4Confident3 Ų358.9 Ų58.91%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-127.2147.5-176.6-61.8178.34.800112.9F4 V5 E22 Y34 R35 S95F4-Q24 CarbonylContact O-C 3.51Å; F4-Q24 WeakPolarHBondContact O-CA 3.23Å; F4-Q24 WeakPolarHBondContact O-CB 3.31Å; V5-Q24 HydrophobicContact CG2-CG 3.89Å; E22-Q24 HydrophobicContact CB-CG 4.16Å; E22-Q24 PolarHBondContact OE2-NE2 3.47Å; Q24-Y34 CarbonylContact O-C 3.41Å; Q24-Y34 WeakPolarHBondContact O-CA 3.32Å; Q24-R35 HydrophobicContact CB-CG 3.87Å; Q24-R35 PolarHBondContact N-O 3.48Å; Q24-R35 PolarHBondContact O-N 3.28Å; Q24-S95 PolarHBondContact NE2-OG 3.21Å
25S85.4Confident78.6Confident2 Ų255.6 Ų55.61%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-127142.7177.1-173.80000112.2G3 F4 R32 R33G3-S25 CarbonylContact C-O 3.55Å; G3-S25 WeakPolarHBondContact CA-O 3.32Å; F4-S25 PolarHBondContact N-O 2.89Å; F4-S25 PolarHBondContact O-N 3.46Å; S25-R32 WeakPolarHBondContact OG-CD 3.49Å; S25-R32 WeakPolarHBondContact OG-CG 3.01Å; S25-R32 PolarHBondContact OG-NH1 2.81Å; S25-R33 WeakPolarHBondContact CA-O 3.36Å
26A81.5Confident79.9Confident21 Ų2153.2 Ų53.217%0.17426%0.257CS..EExtended strand (participates in β ladder)trans-137.8140.7173.500000111.1M1 R32 R33M1-A26 HydrophobicContact SD-CB 4.4Å; A26-R32 WeakPolarHBondContact O-CA 3.5Å; A26-R33 PolarHBondContact N-O 2.9Å; A26-R33 PolarHBondContact O-N 3.26Å
27K74.1Confident80.9Confident170 Ų17050.4 Ų50.474%0.73924%0.237SC*.EExtended strand (participates in β ladder)trans-85.4118.5174.5-163.6173.5-176.3176.30109.1
28G67.7Low81.6Confident30 Ų3046.6 Ų46.631%0.30922%0.223SC..EExtended strand (participates in β ladder)trans-115.2175.2175.700000112.5Q30 G31G28-Q30 PolarHBondContact O-N 3.41Å; G28-G31 CarbonylContact C-O 3.58Å; G28-G31 WeakPolarHBondContact CA-O 3.25Å; G28-G31 PolarHBondContact N-O 2.98Å; G28-G31 PolarHBondContact O-N 3.33Å; G28-G31 VanDerWaalsContact O-N 3.16Å
29E62.3Low82Confident210 Ų21047.9 Ų47.998%0.98123%0.228SC*.THydrogen-bonded Turntrans-61.5-27.7179.2-66.7-177.5167.100113.5
30Q63.1Low82Confident169 Ų16952 Ų5279%0.7924%0.243SC*.THydrogen-bonded Turntrans-99.118.7179.5-66.4-175.2-22.200113.2G28 R33G28-Q30 PolarHBondContact O-N 3.41Å; Q30-R33 VanDerWaalsContact OE1-NH2 3.17Å
31G73.6Confident81.7Confident36 Ų3653.1 Ų53.137%0.37125%0.248SC..EExtended strand (participates in β ladder)trans104-171-175.200000113.3G28G28-G31 CarbonylContact C-O 3.58Å; G28-G31 WeakPolarHBondContact CA-O 3.25Å; G28-G31 PolarHBondContact N-O 2.98Å; G28-G31 PolarHBondContact O-N 3.33Å; G28-G31 VanDerWaalsContact O-N 3.16Å
32R82.9Confident81Confident62 Ų6257.8 Ų57.823%0.23427%0.273CS..EExtended strand (participates in β ladder)trans-80.6135.3-176.5-165.7174-87-848.6109.9S25 A26 Y34 L811S25-R32 WeakPolarHBondContact OG-CD 3.49Å; S25-R32 WeakPolarHBondContact OG-CG 3.01Å; S25-R32 PolarHBondContact OG-NH1 2.81Å; A26-R32 WeakPolarHBondContact O-CA 3.5Å; R32-Y34 WeakPolarHBondContact CD-OH 3.48Å; R32-Y34 HydrophobicContact CG-CE1 4.47Å; R32-Y34 HydrophobicContact CG-CE2 4.38Å; R32-L811 WeakPolarHBondContact CD-O 3.37Å
33R87.1Confident80.1Confident146 Ų14662 Ų6255%0.55130%0.295SS*.EExtended strand (participates in β ladder)trans-118.8151.6178.1-66.8-174.9-179.9171.10.5110.5S25 A26 Q30S25-R33 WeakPolarHBondContact CA-O 3.36Å; A26-R33 PolarHBondContact N-O 2.9Å; A26-R33 PolarHBondContact O-N 3.26Å; Q30-R33 VanDerWaalsContact OE1-NH2 3.17Å
34Y90Very high78.7Confident8 Ų863 Ų633%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-121.1151.2-176.4-59.6-85000111.6L6 Q24 R32 L58 T60 A64 L811 L812 P813L6-Y34 HydrophobicContact CD1-CD1 4.23Å; L6-Y34 HydrophobicContact CD1-CE1 4.19Å; Q24-Y34 CarbonylContact O-C 3.41Å; Q24-Y34 WeakPolarHBondContact O-CA 3.32Å; R32-Y34 WeakPolarHBondContact CD-OH 3.48Å; R32-Y34 HydrophobicContact CG-CE1 4.47Å; R32-Y34 HydrophobicContact CG-CE2 4.38Å; Y34-L58 PolarHBondContact N-O 3.38Å; Y34-L58 PolarHBondContact O-N 2.8Å; Y34-T60 WeakPolarHBondContact CD2-O 3.39Å; Y34-A64 HydrophobicContact CD1-CB 4.09Å; Y34-A64 HydrophobicContact CG-CB 3.78Å; Y34-L811 VanDerWaalsContact CE1-O 3.26Å; Y34-L811 WeakPolarHBondContact CE1-O 3.49Å; Y34-L811 PolarHBondContact OH-O 3.43Å; Y34-L812 HydrophobicContact CE1-CD2 4.01Å; Y34-P813 VanDerWaalsContact OH-CD 3.29Å; Y34-P813 WeakPolarHBondContact OH-CD 3.28Å
35R90.2Very high77.2Confident83 Ų8367.5 Ų67.531%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-146.7144.916767.6-172.2-173.2169.61.5111.5Q24 L55 V56 F57Q24-R35 HydrophobicContact CB-CG 3.87Å; Q24-R35 PolarHBondContact N-O 3.48Å; Q24-R35 PolarHBondContact O-N 3.28Å; R35-L55 HydrophobicContact CB-CD1 3.99Å; R35-L55 HydrophobicContact CG-CD1 4.17Å; R35-V56 CarbonylContact C-O 3.58Å; R35-V56 WeakPolarHBondContact CA-O 3.27Å; R35-V56 VanDerWaalsContact CB-O 3.29Å; R35-V56 WeakPolarHBondContact CB-O 3.28Å; R35-F57 HydrophobicContact CB-CD1 3.93Å; R35-F57 HydrophobicContact CB-CE1 4.2Å
36V89.4Confident76Confident1 Ų169.2 Ų69.21%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-107.5122.2170-177.70000107.9L21 E22 L23 L55 V56 L58 V67 Y68 L71L21-V36 HydrophobicContact CD1-CG1 3.75Å; L21-V36 HydrophobicContact CG-CG1 4.17Å; E22-V36 CarbonylContact O-C 3.27Å; E22-V36 WeakPolarHBondContact O-CA 3.45Å; L23-V36 HydrophobicContact CD1-CG2 3.71Å; V36-L55 CarbonylContact O-C 2.78Å; V36-L55 WeakPolarHBondContact O-CA 3.26Å; V36-V56 PolarHBondContact N-O 3.33Å; V36-V56 PolarHBondContact O-N 2.86Å; V36-L58 HydrophobicContact CG2-CD1 4.17Å; V36-V67 HydrophobicContact CB-CG1 4.39Å; V36-V67 HydrophobicContact CG2-CG1 4.19Å; V36-Y68 HydrophobicContact CG1-CD2 4.17Å; V36-L71 HydrophobicContact CG1-CD1 3.84Å
37A88.4Confident74.9Confident0 Ų078.9 Ų78.90%039%0.389CS..EExtended strand (participates in β ladder)trans-122137.8-175.600000110.8L21 E22 Y39 M52 Q54 L55L21-A37 CarbonylContact C-O 3.26Å; E22-A37 PolarHBondContact N-O 3.5Å; E22-A37 PolarHBondContact O-N 2.96Å; A37-Y39 HydrophobicContact CB-CE2 3.82Å; A37-M52 HydrophobicContact CB-SD 4.28Å; A37-Q54 WeakPolarHBondContact CA-O 3.48Å; A37-L55 HydrophobicContact CB-CD1 4.08Å
38R87.5Confident74.2Confident33 Ų3378.7 Ų78.713%0.12539%0.389CS..EExtended strand (participates in β ladder)trans-113.4126.5173.9-167.3175.169.1-168.7-3.5110.2C19 V20 L21 M52 D53 Q54C19-R38 VanDerWaalsContact SG-CD 3.58Å; C19-R38 WeakPolarHBondContact SG-CG 3.42Å; V20-R38 CarbonylContact O-C 3.51Å; V20-R38 WeakPolarHBondContact O-CA 3.44Å; L21-R38 HydrophobicContact CD1-CB 4.01Å; L21-R38 HydrophobicContact CD1-CG 4.34Å; R38-M52 CarbonylContact O-C 3.54Å; R38-M52 VanDerWaalsContact O-CA 3.29Å; R38-M52 WeakPolarHBondContact O-CA 3.2Å; R38-D53 WeakPolarHBondContact CB-OD1 3.28Å; R38-D53 IonicContact CZ-OD1 3.72Å; R38-D53 IonicContact CZ-OD2 3.55Å; R38-D53 IonicContact NE-OD1 3Å; R38-D53 PolarHBondContact NE-OD1 2.91Å; R38-D53 IonicContact NE-OD2 3.46Å; R38-D53 PolarHBondContact NE-OD2 2.62Å; R38-D53 IonicContact NH2-OD1 3.05Å; R38-D53 IonicContact NH2-OD2 2.8Å; R38-D53 PolarHBondContact NH2-OD2 3.19Å; R38-D53 PolarHBondContact O-N 2.66Å; R38-Q54 HydrophobicContact CB-CB 3.83Å; R38-Q54 PolarHBondContact N-O 2.68Å
39Y85.8Confident73.9Confident29 Ų2981.2 Ų81.211%0.11441%0.406CS..EExtended strand (participates in β ladder)trans-111.1126.6176.6-63.7-90.6000109.6C19 V20 E22 A37 V51 M52C19-Y39 CarbonylContact C-O 3.5Å; C19-Y39 WeakPolarHBondContact CA-O 3.42Å; V20-Y39 PolarHBondContact N-O 3.28Å; V20-Y39 PolarHBondContact O-N 2.65Å; E22-Y39 VanDerWaalsContact CD-CE2 3.43Å; E22-Y39 HydrophobicContact CG-CD2 4.14Å; E22-Y39 HydrophobicContact CG-CE2 4.13Å; E22-Y39 VanDerWaalsContact OE1-CD2 3.27Å; E22-Y39 WeakPolarHBondContact OE1-CD2 3.45Å; E22-Y39 VanDerWaalsContact OE1-CE2 3.24Å; E22-Y39 WeakPolarHBondContact OE1-CE2 3.35Å; A37-Y39 HydrophobicContact CB-CE2 3.82Å; Y39-V51 WeakPolarHBondContact CA-O 3.39Å; Y39-M52 HydrophobicContact CD1-CB 3.94Å; Y39-M52 HydrophobicContact CD1-CG 4.41Å; Y39-M52 HydrophobicContact CE1-CB 3.83Å; Y39-M52 HydrophobicContact CE1-CG 4.1Å; Y39-M52 HydrophobicContact CE1-SD 4.32Å
40R80.9Confident74.3Confident88 Ų8872.1 Ų72.133%0.33237%0.367SS..EExtended strand (participates in β ladder)trans-118.1139.4175.9-171.8-179.6-73.6128.22.5110.8F18 V51 D53F18-R40 CarbonylContact O-C 3.47Å; F18-R40 WeakPolarHBondContact O-CA 3.14Å; R40-V51 PolarHBondContact N-O 3.31Å; R40-V51 PolarHBondContact O-N 2.98Å; R40-D53 IonicContact CZ-OD2 3.71Å; R40-D53 VanDerWaalsContact CZ-OD2 3.26Å; R40-D53 IonicContact NH1-OD2 3.62Å; R40-D53 PolarHBondContact NH1-OD2 3Å; R40-D53 IonicContact NH2-OD2 2.59Å; R40-D53 PolarHBondContact NH2-OD2 3.22Å
41K77.7Confident75.1Confident24 Ų2468.6 Ų68.610%0.10436%0.357CS..EExtended strand (participates in β ladder)trans-130.3114.7170.8-168.1175.9-173.9-171.80110R17 F18 N43 V44 A50 L93R17-K41 WeakPolarHBondContact CA-O 3.39Å; F18-K41 PolarHBondContact N-O 3.32Å; F18-K41 PolarHBondContact O-N 3.3Å; K41-N43 WeakPolarHBondContact CE-O 3.44Å; K41-V44 PolarHBondContact NZ-O 3.02Å; K41-A50 HydrophobicContact CB-CB 4.4Å; K41-L93 HydrophobicContact CB-CD1 3.59Å; K41-L93 HydrophobicContact CD-CD1 4.46Å
42D70.8Confident75.4Confident98 Ų9870.8 Ų70.852%0.52436%0.359SS..SBendtrans-84.1-17.1-174.6-66-44.4000114.6S16 R17S16-D42 CarbonylContact O-C 3.36Å; S16-D42 VanDerWaalsContact O-O 3.08Å; R17-D42 IonicContact NE-OD1 3.15Å
43N68.4Low75.4Confident89 Ų8970.8 Ų70.848%0.47636%0.363SS..  trans-153.3113.5177.7-174-18.4000111.5K41 A45 S46K41-N43 WeakPolarHBondContact CE-O 3.44Å; N43-A45 PolarHBondContact OD1-N 2.71Å; N43-S46 PolarHBondContact O-N 3.07Å; N43-S46 PolarHBondContact O-OG 3.02Å
44V58.8Low75.2Confident21 Ų2166.4 Ų66.413%0.12735%0.349CS..THydrogen-bonded Turntrans-68.7-33.9-176.81790000113.6F18 K41 S46 E89 A90F18-V44 HydrophobicContact CD2-CG2 3.34Å; F18-V44 HydrophobicContact CE2-CG2 3.16Å; F18-V44 HydrophobicContact CZ-CG2 4.23Å; K41-V44 PolarHBondContact NZ-O 3.02Å; V44-S46 PolarHBondContact O-N 3.4Å; V44-E89 VanDerWaalsContact CG1-C 3.41Å; V44-E89 HydrophobicContact CG1-CB 3.43Å; V44-E89 VanDerWaalsContact CG1-CB 3.43Å; V44-E89 WeakPolarHBondContact CG1-O 3.5Å; V44-A90 HydrophobicContact CG1-CB 3.97Å; V44-A90 HydrophobicContact CG2-CB 4.34Å
45A55.9Low75.2Confident97 Ų9768.9 Ų68.980%0.80236%0.362SS*.THydrogen-bonded Turntrans-70.5-10.5178.900000113.4N43N43-A45 PolarHBondContact OD1-N 2.71Å
46S59.8Low75.1Confident39 Ų3967.1 Ų67.127%0.27336%0.361SS..SBendtrans-83137.8176.183.90000111.5N43 V44 K48N43-S46 PolarHBondContact O-N 3.07Å; N43-S46 PolarHBondContact O-OG 3.02Å; V44-S46 PolarHBondContact O-N 3.4Å; S46-K48 PolarHBondContact O-N 2.83Å; S46-K48 VanDerWaalsContact O-N 3.09Å
47K57.8Low75.1Confident223 Ų22373.9 Ų73.997%0.9739%0.39SS*.SBendtrans-69.14.3171.1-67.9-172.5177.6-176.10113.6
48K59.9Low75.2Confident167 Ų16775.3 Ų75.373%0.72640%0.398SS*.PPolyproline II helixtrans-76.9134.4178.3-70.8-175.1177.1-178.80109.1S46S46-K48 PolarHBondContact O-N 2.83Å; S46-K48 VanDerWaalsContact O-N 3.09Å
49A62.8Low75Confident82 Ų8277.9 Ų77.968%0.67842%0.421SS*.PPolyproline II helixtrans-62.2156.8175.300000111.3
50A69.8Low75.1Confident20 Ų2078.5 Ų78.517%0.16543%0.428CS..PPolyproline II helixtrans-59.1142.3170.600000110.4K41 L93K41-A50 HydrophobicContact CB-CB 4.4Å; A50-L93 HydrophobicContact CB-CD1 4.1Å
51V78.8Confident75.5Confident94 Ų9474.7 Ų74.757%0.5741%0.414SS*.EExtended strand (participates in β ladder)trans-95.8123.8178.61800000108.4Y39 R40 D53Y39-V51 WeakPolarHBondContact CA-O 3.39Å; R40-V51 PolarHBondContact N-O 3.31Å; R40-V51 PolarHBondContact O-N 2.98Å; V51-D53 PolarHBondContact O-N 2.81Å
52M81.5Confident75.9Confident83 Ų8376 Ų7641%0.40942%0.421SS..EExtended strand (participates in β ladder)trans-77.1108.9168.7-173.4179.266.100108.5A37 R38 Y39 L55A37-M52 HydrophobicContact CB-SD 4.28Å; R38-M52 CarbonylContact O-C 3.54Å; R38-M52 VanDerWaalsContact O-CA 3.29Å; R38-M52 WeakPolarHBondContact O-CA 3.2Å; Y39-M52 HydrophobicContact CD1-CB 3.94Å; Y39-M52 HydrophobicContact CD1-CG 4.41Å; Y39-M52 HydrophobicContact CE1-CB 3.83Å; Y39-M52 HydrophobicContact CE1-CG 4.1Å; Y39-M52 HydrophobicContact CE1-SD 4.32Å; M52-L55 HydrophobicContact CE-CD2 3.91Å; M52-L55 HydrophobicContact SD-CB 4.49Å; M52-L55 HydrophobicContact SD-CD1 4.49Å; M52-L55 HydrophobicContact SD-CD2 4.33Å
53D81.5Confident76.8Confident62 Ų6275.3 Ų75.333%0.33242%0.415SS..EExtended strand (participates in β ladder)trans-106.3-14.2-172.379.3-30.4000113.9R38 R40 V51R38-D53 WeakPolarHBondContact CB-OD1 3.28Å; R38-D53 IonicContact CZ-OD1 3.72Å; R38-D53 IonicContact CZ-OD2 3.55Å; R38-D53 IonicContact NE-OD1 3Å; R38-D53 PolarHBondContact NE-OD1 2.91Å; R38-D53 IonicContact NE-OD2 3.46Å; R38-D53 PolarHBondContact NE-OD2 2.62Å; R38-D53 IonicContact NH2-OD1 3.05Å; R38-D53 IonicContact NH2-OD2 2.8Å; R38-D53 PolarHBondContact NH2-OD2 3.19Å; R38-D53 PolarHBondContact O-N 2.66Å; R40-D53 IonicContact CZ-OD2 3.71Å; R40-D53 VanDerWaalsContact CZ-OD2 3.26Å; R40-D53 IonicContact NH1-OD2 3.62Å; R40-D53 PolarHBondContact NH1-OD2 3Å; R40-D53 IonicContact NH2-OD2 2.59Å; R40-D53 PolarHBondContact NH2-OD2 3.22Å; V51-D53 PolarHBondContact O-N 2.81Å
54Q84.1Confident77.8Confident53 Ų5371.1 Ų71.125%0.24839%0.392CS..EExtended strand (participates in β ladder)trans-140.6139.9174.3-166.2170.2-1.300110.6A37 R38 L71A37-Q54 WeakPolarHBondContact CA-O 3.48Å; R38-Q54 HydrophobicContact CB-CB 3.83Å; R38-Q54 PolarHBondContact N-O 2.68Å; Q54-L71 VanDerWaalsContact NE2-CD2 3.29Å
55L89Confident79.2Confident61 Ų6170.5 Ų70.532%0.31939%0.389SS..EExtended strand (participates in β ladder)trans-151.2120.3179.6177.261.8000110.4R35 V36 A37 M52 F57R35-L55 HydrophobicContact CB-CD1 3.99Å; R35-L55 HydrophobicContact CG-CD1 4.17Å; V36-L55 CarbonylContact O-C 2.78Å; V36-L55 WeakPolarHBondContact O-CA 3.26Å; A37-L55 HydrophobicContact CB-CD1 4.08Å; M52-L55 HydrophobicContact CE-CD2 3.91Å; M52-L55 HydrophobicContact SD-CB 4.49Å; M52-L55 HydrophobicContact SD-CD1 4.49Å; M52-L55 HydrophobicContact SD-CD2 4.33Å; L55-F57 HydrophobicContact CD1-CE2 4.46Å; L55-F57 HydrophobicContact CD1-CZ 4.39Å; L55-F57 HydrophobicContact CD2-CE2 3.63Å; L55-F57 HydrophobicContact CD2-CZ 3.7Å; L55-F57 HydrophobicContact CG-CD2 4.41Å; L55-F57 HydrophobicContact CG-CE2 3.82Å; L55-F57 HydrophobicContact CG-CZ 4.13Å
56V89.3Confident80.8Confident45 Ų4569.8 Ų69.827%0.27337%0.371SS..EExtended strand (participates in β ladder)trans-120.7132178.6-1730000109.1R35 V36 L58 V67R35-V56 CarbonylContact C-O 3.58Å; R35-V56 WeakPolarHBondContact CA-O 3.27Å; R35-V56 VanDerWaalsContact CB-O 3.29Å; R35-V56 WeakPolarHBondContact CB-O 3.28Å; V36-V56 PolarHBondContact N-O 3.33Å; V36-V56 PolarHBondContact O-N 2.86Å; V56-L58 HydrophobicContact CG1-CD1 4.24Å; V56-L58 HydrophobicContact CG1-CD2 4.04Å; V56-L58 HydrophobicContact CG1-CG 4.1Å; V56-V67 HydrophobicContact CB-CG1 4.38Å; V56-V67 HydrophobicContact CG1-CG1 4.26Å; V56-V67 HydrophobicContact CG2-CG1 4.43Å
57F88.6Confident82.3Confident143 Ų14369.4 Ų69.463%0.62737%0.367SS*.EExtended strand (participates in β ladder)trans-105.8136.2177.4-69.9-85.2000110.9R35 L55R35-F57 HydrophobicContact CB-CD1 3.93Å; R35-F57 HydrophobicContact CB-CE1 4.2Å; L55-F57 HydrophobicContact CD1-CE2 4.46Å; L55-F57 HydrophobicContact CD1-CZ 4.39Å; L55-F57 HydrophobicContact CD2-CE2 3.63Å; L55-F57 HydrophobicContact CD2-CZ 3.7Å; L55-F57 HydrophobicContact CG-CD2 4.41Å; L55-F57 HydrophobicContact CG-CE2 3.82Å; L55-F57 HydrophobicContact CG-CZ 4.13Å
58L89.9Confident83.8Confident30 Ų3059.2 Ų59.216%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-137.2147.6-169.3-60.9162.2000110.5Y34 V36 V56 E63 A64 V67Y34-L58 PolarHBondContact N-O 3.38Å; Y34-L58 PolarHBondContact O-N 2.8Å; V36-L58 HydrophobicContact CG2-CD1 4.17Å; V56-L58 HydrophobicContact CG1-CD1 4.24Å; V56-L58 HydrophobicContact CG1-CD2 4.04Å; V56-L58 HydrophobicContact CG1-CG 4.1Å; L58-E63 HydrophobicContact CB-CB 4.48Å; L58-E63 HydrophobicContact CD2-CB 4.27Å; L58-A64 HydrophobicContact CB-CB 4.17Å; L58-A64 VanDerWaalsContact CD1-CA 3.41Å; L58-A64 HydrophobicContact CD1-CB 3.95Å; L58-V67 HydrophobicContact CD1-CB 3.75Å; L58-V67 HydrophobicContact CD1-CG1 4.12Å; L58-V67 HydrophobicContact CD1-CG2 3.8Å; L58-V67 HydrophobicContact CD2-CG2 4.09Å
59S84.6Confident85.1Confident88 Ų8853.2 Ų53.262%0.61530%0.296SS*.SBendtrans-90.3-33.4-173.623.50000113.3E63S59-E63 PolarHBondContact N-OE2 3.19Å; S59-E63 PolarHBondContact OG-OE2 2.86Å
60T88Confident86.4Confident41 Ų4155.3 Ų55.325%0.25229%0.292SS..SBendtrans-118.4160.5-175.964.60000111.4Y34 E63 A64Y34-T60 WeakPolarHBondContact CD2-O 3.39Å; T60-E63 PolarHBondContact N-OE2 3.4Å; T60-E63 VanDerWaalsContact OG1-CB 3.27Å; T60-E63 WeakPolarHBondContact OG1-CB 3.35Å; T60-E63 WeakPolarHBondContact OG1-CG 3.42Å; T60-E63 PolarHBondContact OG1-N 3.23Å; T60-E63 PolarHBondContact OG1-OE2 2.91Å; T60-A64 WeakPolarHBondContact O-CB 3.37Å; T60-A64 PolarHBondContact O-N 2.84Å
61S87.8Confident87.3Confident8 Ų855.2 Ų55.26%0.05629%0.289CS..Hα-helixtrans-70.9-36.4178.964.90000111.2A64 V65 P813S61-A64 WeakPolarHBondContact O-CB 3.39Å; S61-A64 PolarHBondContact O-N 3.34Å; S61-V65 WeakPolarHBondContact O-CG2 3.32Å; S61-V65 PolarHBondContact O-N 2.84Å; S61-P813 WeakPolarHBondContact CB-O 3.46Å; S61-P813 PolarHBondContact OG-O 3.28Å
62E87.3Confident87.5Confident51 Ų5151.1 Ų51.124%0.23827%0.265CS..Hα-helixtrans-66.4-49.5179.5-64.988157.300111.7A64 V65 D66 S815E62-A64 PolarHBondContact O-N 3.16Å; E62-V65 PolarHBondContact O-N 3.45Å; E62-D66 WeakPolarHBondContact O-CB 3.18Å; E62-D66 VanDerWaalsContact O-CG 3.32Å; E62-D66 PolarHBondContact O-N 3.36Å; E62-S815 WeakPolarHBondContact OE1-CB 3.11Å; E62-S815 PolarHBondContact OE1-N 2.69Å; E62-S815 PolarHBondContact OE1-OG 3.05Å; E62-S815 WeakPolarHBondContact OE2-CB 3.14Å; E62-S815 PolarHBondContact OE2-N 2.64Å; E62-S815 PolarHBondContact OE2-OG 3.17Å; E62-S815 VanDerWaalsContact OE2-OG 3.06Å
63E88.9Confident87.7Confident85 Ų8552.3 Ų52.340%0.39727%0.269SS..Hα-helixtrans-55.8-38173.4-71.8166.316100110.9L58 S59 T60 D66 V67L58-E63 HydrophobicContact CB-CB 4.48Å; L58-E63 HydrophobicContact CD2-CB 4.27Å; S59-E63 PolarHBondContact N-OE2 3.19Å; S59-E63 PolarHBondContact OG-OE2 2.86Å; T60-E63 PolarHBondContact N-OE2 3.4Å; T60-E63 VanDerWaalsContact OG1-CB 3.27Å; T60-E63 WeakPolarHBondContact OG1-CB 3.35Å; T60-E63 WeakPolarHBondContact OG1-CG 3.42Å; T60-E63 PolarHBondContact OG1-N 3.23Å; T60-E63 PolarHBondContact OG1-OE2 2.91Å; E63-D66 PolarHBondContact O-N 2.79Å; E63-V67 WeakPolarHBondContact O-CB 3.45Å; E63-V67 VanDerWaalsContact O-CG2 3.32Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 2.84Å
64A89.6Confident87.9Confident0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-67.9-41.9-179.900000113.9L23 Y34 L58 T60 S61 E62 Y68L23-A64 HydrophobicContact CD1-CB 3.63Å; Y34-A64 HydrophobicContact CD1-CB 4.09Å; Y34-A64 HydrophobicContact CG-CB 3.78Å; L58-A64 HydrophobicContact CB-CB 4.17Å; L58-A64 VanDerWaalsContact CD1-CA 3.41Å; L58-A64 HydrophobicContact CD1-CB 3.95Å; T60-A64 WeakPolarHBondContact O-CB 3.37Å; T60-A64 PolarHBondContact O-N 2.84Å; S61-A64 WeakPolarHBondContact O-CB 3.39Å; S61-A64 PolarHBondContact O-N 3.34Å; E62-A64 PolarHBondContact O-N 3.16Å; A64-Y68 VanDerWaalsContact O-CB 3.28Å; A64-Y68 WeakPolarHBondContact O-CB 3.4Å; A64-Y68 PolarHBondContact O-N 2.81Å; A64-Y68 VanDerWaalsContact O-N 3.08Å
65V88.6Confident87.8Confident9 Ų951.8 Ų51.86%0.05527%0.265CS..Hα-helixtrans-69.8-38.5175.4173.50000111.2M7 L23 S61 E62 Y68 K69 L812M7-V65 HydrophobicContact CE-CG1 4.35Å; M7-V65 HydrophobicContact CE-CG2 3.9Å; L23-V65 HydrophobicContact CD2-CG2 4.05Å; S61-V65 WeakPolarHBondContact O-CG2 3.32Å; S61-V65 PolarHBondContact O-N 2.84Å; E62-V65 PolarHBondContact O-N 3.45Å; V65-Y68 PolarHBondContact O-N 2.88Å; V65-K69 HydrophobicContact CG1-CD 4.2Å; V65-K69 HydrophobicContact CG1-CG 4.49Å; V65-K69 WeakPolarHBondContact O-CG 3.32Å; V65-K69 PolarHBondContact O-N 3.24Å; V65-L812 HydrophobicContact CG2-CD1 4.23Å; V65-L812 HydrophobicContact CG2-CD2 3.95Å
66D89.4Confident87.3Confident82 Ų8253.2 Ų53.244%0.43927%0.27SS..Hα-helixtrans-65.9-46.8179.1-70.2-18.5000111.7E62 E63 Y68 K69 E70E62-D66 WeakPolarHBondContact O-CB 3.18Å; E62-D66 VanDerWaalsContact O-CG 3.32Å; E62-D66 PolarHBondContact O-N 3.36Å; E63-D66 PolarHBondContact O-N 2.79Å; D66-Y68 VanDerWaalsContact C-N 3.3Å; D66-Y68 PolarHBondContact O-N 3.09Å; D66-K69 WeakPolarHBondContact O-CB 3.36Å; D66-K69 PolarHBondContact O-N 2.77Å; D66-K69 IonicContact OD1-NZ 3.6Å; D66-E70 WeakPolarHBondContact O-CG 3.32Å; D66-E70 PolarHBondContact O-N 2.85Å
67V90.8Very high87Confident31 Ų3159.5 Ų59.519%0.18829%0.289CS..Hα-helixtrans-62-39.3174.4171.10000111.6V36 V56 L58 E63 L71V36-V67 HydrophobicContact CB-CG1 4.39Å; V36-V67 HydrophobicContact CG2-CG1 4.19Å; V56-V67 HydrophobicContact CB-CG1 4.38Å; V56-V67 HydrophobicContact CG1-CG1 4.26Å; V56-V67 HydrophobicContact CG2-CG1 4.43Å; L58-V67 HydrophobicContact CD1-CB 3.75Å; L58-V67 HydrophobicContact CD1-CG1 4.12Å; L58-V67 HydrophobicContact CD1-CG2 3.8Å; L58-V67 HydrophobicContact CD2-CG2 4.09Å; E63-V67 WeakPolarHBondContact O-CB 3.45Å; E63-V67 VanDerWaalsContact O-CG2 3.32Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 2.84Å; V67-L71 HydrophobicContact CG1-CD1 3.91Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.8Å; V67-L71 VanDerWaalsContact O-N 3.08Å
68Y90.1Very high86.3Confident8 Ų855 Ų553%0.03128%0.275CS..Hα-helixtrans-62.7-43.9176.6178.1-94.1000112M7 E8 V9 L21 L23 V36 A64 V65 D66 L71 S72 L774M7-Y68 HydrophobicContact CB-CD1 4.26Å; M7-Y68 HydrophobicContact CB-CE1 3.62Å; M7-Y68 HydrophobicContact CB-CE2 3.91Å; M7-Y68 VanDerWaalsContact CB-CZ 3.41Å; M7-Y68 WeakPolarHBondContact CB-OH 3.38Å; M7-Y68 HydrophobicContact CG-CE1 4.25Å; M7-Y68 HydrophobicContact SD-CD1 3.59Å; M7-Y68 VanDerWaalsContact SD-CD1 3.59Å; M7-Y68 HydrophobicContact SD-CE1 3.68Å; M7-Y68 HydrophobicContact SD-CG 4.27Å; E8-Y68 VanDerWaalsContact CA-OH 3.24Å; E8-Y68 WeakPolarHBondContact CA-OH 3.43Å; E8-Y68 PolarHBondContact N-OH 3.12Å; E8-Y68 PolarHBondContact O-OH 2.72Å; V9-Y68 WeakPolarHBondContact CG2-OH 3.35Å; V9-Y68 PolarHBondContact N-OH 3.06Å; L21-Y68 HydrophobicContact CB-CE2 4.33Å; L21-Y68 HydrophobicContact CD2-CD2 3.79Å; L21-Y68 HydrophobicContact CD2-CE2 3.75Å; L21-Y68 HydrophobicContact CG-CD2 3.98Å; L21-Y68 HydrophobicContact CG-CE2 3.79Å; L23-Y68 HydrophobicContact CB-CD2 3.73Å; L23-Y68 HydrophobicContact CB-CE2 4.21Å; L23-Y68 HydrophobicContact CB-CG 4.16Å; V36-Y68 HydrophobicContact CG1-CD2 4.17Å; A64-Y68 VanDerWaalsContact O-CB 3.28Å; A64-Y68 WeakPolarHBondContact O-CB 3.4Å; A64-Y68 PolarHBondContact O-N 2.81Å; A64-Y68 VanDerWaalsContact O-N 3.08Å; V65-Y68 PolarHBondContact O-N 2.88Å; D66-Y68 VanDerWaalsContact C-N 3.3Å; D66-Y68 PolarHBondContact O-N 3.09Å; Y68-L71 PolarHBondContact O-N 2.88Å; Y68-S72 WeakPolarHBondContact O-CB 3.46Å; Y68-S72 PolarHBondContact O-N 2.94Å; Y68-L774 HydrophobicContact CD1-CD2 4.37Å
69K87.8Confident85.3Confident41 Ų4162.2 Ų62.218%0.17831%0.308CS..Hα-helixtrans-59.1-51.8175.2-77.4168.8-176165.50111.6V65 D66 L71 S72 E73 L774 S775V65-K69 HydrophobicContact CG1-CD 4.2Å; V65-K69 HydrophobicContact CG1-CG 4.49Å; V65-K69 WeakPolarHBondContact O-CG 3.32Å; V65-K69 PolarHBondContact O-N 3.24Å; D66-K69 WeakPolarHBondContact O-CB 3.36Å; D66-K69 PolarHBondContact O-N 2.77Å; D66-K69 IonicContact OD1-NZ 3.6Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-L71 PolarHBondContact O-N 2.77Å; K69-S72 PolarHBondContact O-N 3.47Å; K69-S72 VanDerWaalsContact O-N 3.15Å; K69-E73 WeakPolarHBondContact O-CG 3.45Å; K69-E73 PolarHBondContact O-N 2.9Å; K69-L774 HydrophobicContact CD-CD2 4.14Å; K69-L774 HydrophobicContact CG-CD2 3.43Å; K69-L774 VanDerWaalsContact CG-CD2 3.43Å; K69-S775 PolarHBondContact NZ-OG 3.1Å
70E89.3Confident84.7Confident127 Ų12759.5 Ų59.559%0.59329%0.286SS*.Hα-helixtrans-57.1-44.8-179-73.2-178.9174.500111.8D66 E74D66-E70 WeakPolarHBondContact O-CG 3.32Å; D66-E70 PolarHBondContact O-N 2.85Å; E70-E74 WeakPolarHBondContact O-CB 3.49Å; E70-E74 PolarHBondContact O-N 2.89Å
71L87.9Confident84.1Confident17 Ų1764.9 Ų64.99%0.08931%0.309CS..Hα-helixtrans-70.5-35.6178.2-69.1176.1000112.6L21 V36 Q54 V67 Y68 K69 E74 L75L21-L71 HydrophobicContact CD1-CB 4.25Å; L21-L71 HydrophobicContact CD1-CD1 4.3Å; L21-L71 HydrophobicContact CD2-CB 3.79Å; V36-L71 HydrophobicContact CG1-CD1 3.84Å; Q54-L71 VanDerWaalsContact NE2-CD2 3.29Å; V67-L71 HydrophobicContact CG1-CD1 3.91Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.8Å; V67-L71 VanDerWaalsContact O-N 3.08Å; Y68-L71 PolarHBondContact O-N 2.88Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-L71 PolarHBondContact O-N 2.77Å; L71-E74 PolarHBondContact O-N 3.45Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.34Å; L71-L75 PolarHBondContact O-N 3.38Å
72S84.6Confident83.5Confident9 Ų971.6 Ų71.66%0.06333%0.333CS..Hα-helixtrans-63.4-46.4174.3-176.40000111Y68 K69 E74 L75 E76 R82Y68-S72 WeakPolarHBondContact O-CB 3.46Å; Y68-S72 PolarHBondContact O-N 2.94Å; K69-S72 PolarHBondContact O-N 3.47Å; K69-S72 VanDerWaalsContact O-N 3.15Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 2.86Å; S72-L75 PolarHBondContact O-N 2.96Å; S72-E76 WeakPolarHBondContact O-CG 3.43Å; S72-E76 PolarHBondContact O-N 2.93Å; S72-R82 PolarHBondContact OG-NH2 3.4Å
73E85.5Confident82.6Confident108 Ų10871.6 Ų71.651%0.50533%0.333SS..Hα-helixtrans-64.9-34.7176.9-70.7178.6-175.300112.2K69 R77K69-E73 WeakPolarHBondContact O-CG 3.45Å; K69-E73 PolarHBondContact O-N 2.9Å; E73-R77 WeakPolarHBondContact O-CG 3.46Å; E73-R77 PolarHBondContact O-N 3.01Å; E73-R77 VanDerWaalsContact O-N 3.11Å; E73-R77 PolarHBondContact O-NE 3.45Å
74E85.1Confident81.1Confident95 Ų9573 Ų7344%0.44435%0.353SS..Hα-helixtrans-62.2-44.1172.7-171.6-171163.100111.6E70 L71 S72 R77 S78E70-E74 WeakPolarHBondContact O-CB 3.49Å; E70-E74 PolarHBondContact O-N 2.89Å; L71-E74 PolarHBondContact O-N 3.45Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 2.86Å; E74-R77 PolarHBondContact O-N 3.19Å; E74-S78 PolarHBondContact O-N 3.27Å
75L81.9Confident79.6Confident8 Ų874 Ų744%0.04236%0.363CS..Hα-helixtrans-69-38.1178.9-70.8171.4000112.3L11 L21 L71 S72 R77 S78 L80L11-L75 HydrophobicContact CD1-CB 3.41Å; L11-L75 VanDerWaalsContact CD1-CB 3.41Å; L11-L75 HydrophobicContact CD1-CD1 4.05Å; L11-L75 HydrophobicContact CD1-CG 4.23Å; L21-L75 HydrophobicContact CB-CD1 4.07Å; L21-L75 HydrophobicContact CD2-CD1 4.25Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.34Å; L71-L75 PolarHBondContact O-N 3.38Å; S72-L75 PolarHBondContact O-N 2.96Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 3.03Å; L75-S78 WeakPolarHBondContact O-CB 3.46Å; L75-S78 PolarHBondContact O-N 3.38Å; L75-S78 VanDerWaalsContact O-N 3.1Å; L75-S78 PolarHBondContact O-OG 3.38Å; L75-L80 HydrophobicContact CD2-CD1 4.36Å
76E78.5Confident78.1Confident91 Ų9174.8 Ų74.843%0.42537%0.367SS..Hα-helixtrans-66.3-27174.5-72.9175.4-170.200113S72 S78 R82S72-E76 WeakPolarHBondContact O-CG 3.43Å; S72-E76 PolarHBondContact O-N 2.93Å; E76-S78 VanDerWaalsContact C-N 3.29Å; E76-R82 IonicContact OE1-CZ 2.87Å; E76-R82 IonicContact OE1-NE 3.93Å; E76-R82 IonicContact OE1-NH1 3.62Å; E76-R82 IonicContact OE1-NH2 3.75Å; E76-R82 PolarHBondContact OE1-NH2 3.36Å
77R82.2Confident76.6Confident177 Ų17771.8 Ų71.867%0.66835%0.352SS*.THydrogen-bonded Turntrans-74.3-17.5172.5-78.4-179-90.9114.8-7.2113.4E73 E74 L75E73-R77 WeakPolarHBondContact O-CG 3.46Å; E73-R77 PolarHBondContact O-N 3.01Å; E73-R77 VanDerWaalsContact O-N 3.11Å; E73-R77 PolarHBondContact O-NE 3.45Å; E74-R77 PolarHBondContact O-N 3.19Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 3.03Å
78S73.8Confident74.8Confident50 Ų5074.5 Ų74.535%0.3538%0.378SS..THydrogen-bonded Turntrans-82.2157.1170.473.60000110.1E74 L75 E76 L80E74-S78 PolarHBondContact O-N 3.27Å; L75-S78 WeakPolarHBondContact O-CB 3.46Å; L75-S78 PolarHBondContact O-N 3.38Å; L75-S78 VanDerWaalsContact O-N 3.1Å; L75-S78 PolarHBondContact O-OG 3.38Å; E76-S78 VanDerWaalsContact C-N 3.29Å; S78-L80 PolarHBondContact O-N 3.28Å; S78-L80 WeakPolarHBondContact OG-CD1 3.44Å; S78-L80 WeakPolarHBondContact OG-CG 3.3Å
79E69.4Low72.9Confident181 Ų18180.9 Ų80.985%0.84641%0.408SS*.THydrogen-bonded Turntrans-63.920.5-174.7-60.4-175.6163.800115.5
80L72.9Confident71.4Confident30 Ų3078.9 Ų78.916%0.15740%0.399CS..PPolyproline II helixtrans-84.4138.7178.7-66.1174.2000111.9L11 E13 C19 L75 S78L11-L80 HydrophobicContact CB-CB 3.98Å; L11-L80 HydrophobicContact CB-CD1 4.08Å; L11-L80 HydrophobicContact CB-CG 4.48Å; L11-L80 HydrophobicContact CD1-CB 4.43Å; L11-L80 HydrophobicContact CD1-CD1 4.22Å; L11-L80 HydrophobicContact CD2-CB 3.93Å; L11-L80 HydrophobicContact CG-CB 4.35Å; E13-L80 HydrophobicContact CB-CD2 3.49Å; E13-L80 VanDerWaalsContact CB-CD2 3.49Å; E13-L80 HydrophobicContact CG-CD2 3.89Å; C19-L80 HydrophobicContact CB-CD1 4.44Å; L75-L80 HydrophobicContact CD2-CD1 4.36Å; S78-L80 PolarHBondContact O-N 3.28Å; S78-L80 WeakPolarHBondContact OG-CD1 3.44Å; S78-L80 WeakPolarHBondContact OG-CG 3.3Å
81Q74Confident69.7Low155 Ų15576.8 Ų76.872%0.72440%0.397SS*.EExtended strand (participates in β ladder)trans-99.6132.7174.8-67.4-171.6-11.600111.4L11 Q12 M83L11-Q81 WeakPolarHBondContact CA-O 3.17Å; Q12-Q81 PolarHBondContact N-O 3.13Å; Q12-Q81 PolarHBondContact O-N 3.26Å; Q81-M83 PolarHBondContact O-N 3.01Å
82R75.9Confident68.5Low148 Ų14882 Ų8256%0.55842%0.42SS*.EExtended strand (participates in β ladder)trans-66.4131177.6-177.9179.3-94.8169.81.8109.7L11 S72 E76L11-R82 HydrophobicContact CD2-CB 4.03Å; S72-R82 PolarHBondContact OG-NH2 3.4Å; E76-R82 IonicContact OE1-CZ 2.87Å; E76-R82 IonicContact OE1-NE 3.93Å; E76-R82 IonicContact OE1-NH1 3.62Å; E76-R82 IonicContact OE1-NH2 3.75Å; E76-R82 PolarHBondContact OE1-NH2 3.36Å
83M69.1Low67.6Low51 Ų5181.6 Ų81.625%0.25142%0.417SS..EExtended strand (participates in β ladder)trans-99.5146.6174-68.8-172.366.800110.9C10 Q12 F18 Q81 G85 P87C10-M83 HydrophobicContact CB-CB 4.32Å; C10-M83 PolarHBondContact O-N 3.44Å; Q12-M83 HydrophobicContact CB-CG 3.95Å; Q12-M83 HydrophobicContact CB-SD 3.64Å; Q12-M83 HydrophobicContact CG-SD 4.31Å; F18-M83 HydrophobicContact CD1-SD 4.02Å; F18-M83 HydrophobicContact CE1-CE 4.45Å; F18-M83 HydrophobicContact CE1-SD 3.7Å; Q81-M83 PolarHBondContact O-N 3.01Å; M83-G85 VanDerWaalsContact C-N 3.29Å; M83-G85 WeakPolarHBondContact CE-O 3.46Å; M83-G85 PolarHBondContact O-N 3.14Å; M83-P87 HydrophobicContact CE-CG 4.1Å; M83-P87 HydrophobicContact SD-CG 4.46Å
84S56.5Low67Low115 Ų11577.2 Ų77.280%0.80440%0.401SS*.SBendtrans-92.230.817564.40000112.8
85G58.1Low66.5Low21 Ų2173.3 Ų73.322%0.21638%0.384CS..SBendtrans155.7169.6-177.600000113.1M83M83-G85 VanDerWaalsContact C-N 3.29Å; M83-G85 WeakPolarHBondContact CE-O 3.46Å; M83-G85 PolarHBondContact O-N 3.14Å
86L57.2Low66Low26 Ų2676.3 Ų76.314%0.13641%0.41CS..  trans-91.3140-177.6-105.5119.5000113.7V20 L93 L98 L102V20-L86 HydrophobicContact CG2-CD1 4.49Å; L86-L93 HydrophobicContact CD2-CB 3.48Å; L86-L93 VanDerWaalsContact CD2-CB 3.48Å; L86-L93 HydrophobicContact CD2-CD2 3.56Å; L86-L93 HydrophobicContact CD2-CG 3.88Å; L86-L93 HydrophobicContact CG-CD2 4.38Å; L86-L98 HydrophobicContact CD1-CD2 4.04Å; L86-L98 HydrophobicContact CD1-CG 4.48Å; L86-L102 HydrophobicContact CB-CD1 3.86Å; L86-L102 HydrophobicContact CB-CD2 4.16Å; L86-L102 HydrophobicContact CD1-CD1 3.1Å; L86-L102 HydrophobicContact CD1-CD2 3.59Å; L86-L102 HydrophobicContact CD1-CG 3.89Å; L86-L102 HydrophobicContact CD2-CD1 4.31Å; L86-L102 HydrophobicContact CG-CD1 3.89Å; L86-L102 HydrophobicContact CG-CD2 4.41Å
87P57.3Low65.5Low18 Ų1873.4 Ų73.412%0.11740%0.399CS..  trans-64.4140.2-178.8-11.322.1000112.2F18 M83 E89 A90F18-P87 HydrophobicContact CD1-CG 3.64Å; F18-P87 HydrophobicContact CE1-CB 4.24Å; F18-P87 HydrophobicContact CE1-CG 3.11Å; F18-P87 HydrophobicContact CE2-CG 4.43Å; F18-P87 HydrophobicContact CG-CG 4.46Å; F18-P87 HydrophobicContact CZ-CB 4.27Å; F18-P87 HydrophobicContact CZ-CG 3.54Å; M83-P87 HydrophobicContact CE-CG 4.1Å; M83-P87 HydrophobicContact SD-CG 4.46Å; P87-E89 PolarHBondContact O-N 2.97Å; P87-A90 PolarHBondContact O-N 3.41Å
88A54.1Low65.1Low89 Ų8965 Ų6574%0.73637%0.368SS*.THydrogen-bonded Turntrans-56.6-24.5174.700000113.4A90A88-A90 VanDerWaalsContact C-N 3.34Å
89E50.7Low64.8Low141 Ų14166.2 Ų66.266%0.65937%0.368SS*.THydrogen-bonded Turntrans-83-8.9-177.1-61140.8-175.700113V44 P87V44-E89 VanDerWaalsContact CG1-C 3.41Å; V44-E89 HydrophobicContact CG1-CB 3.43Å; V44-E89 VanDerWaalsContact CG1-CB 3.43Å; V44-E89 WeakPolarHBondContact CG1-O 3.5Å; P87-E89 PolarHBondContact O-N 2.97Å
90A55.1Low64.7Low0 Ų059 Ų590%033%0.334CS..  trans-131.861.4-175.500000113.5V44 P87 A88 H92 L93V44-A90 HydrophobicContact CG1-CB 3.97Å; V44-A90 HydrophobicContact CG2-CB 4.34Å; P87-A90 PolarHBondContact O-N 3.41Å; A88-A90 VanDerWaalsContact C-N 3.34Å; A90-H92 PolarHBondContact O-N 3.19Å; A90-L93 HydrophobicContact CB-CB 4.1Å; A90-L93 WeakPolarHBondContact O-CB 3.23Å; A90-L93 PolarHBondContact O-N 3.23Å
91P54Low64.4Low83 Ų8359.7 Ų59.754%0.53934%0.337SS..THydrogen-bonded Turntrans-65.3-10.1-176.427.2-35.7000115E99P91-E99 VanDerWaalsContact O-OE1 3.06Å
92H62.4Low64.1Low125 Ų12553.2 Ų53.258%0.57931%0.308SS*.THydrogen-bonded Turntrans-11728.4-179.3-56.6-51.4000113A90 G94 E99A90-H92 PolarHBondContact O-N 3.19Å; H92-G94 PolarHBondContact O-N 2.95Å; H92-E99 WeakPolarHBondContact CA-OE1 3.49Å; H92-E99 IonicContact CG-OE1 2.72Å; H92-E99 IonicContact ND1-OE1 3.21Å; H92-E99 PolarHBondContact ND1-OE1 3.39Å
93L66.7Low63.8Low2 Ų247.2 Ų47.21%0.0129%0.287CS..SBendtrans-88.498.2175.3178.378.2000107.8F18 V20 K41 A50 L86 A90F18-L93 HydrophobicContact CB-CD1 4.08Å; F18-L93 HydrophobicContact CB-CD2 3.49Å; F18-L93 VanDerWaalsContact CB-CD2 3.49Å; F18-L93 HydrophobicContact CB-CG 4.48Å; F18-L93 HydrophobicContact CD1-CD2 4.39Å; F18-L93 HydrophobicContact CG-CD2 4.12Å; V20-L93 HydrophobicContact CG2-CD1 4.4Å; V20-L93 HydrophobicContact CG2-CD2 3.53Å; V20-L93 HydrophobicContact CG2-CG 3.6Å; K41-L93 HydrophobicContact CB-CD1 3.59Å; K41-L93 HydrophobicContact CD-CD1 4.46Å; A50-L93 HydrophobicContact CB-CD1 4.1Å; L86-L93 HydrophobicContact CD2-CB 3.48Å; L86-L93 VanDerWaalsContact CD2-CB 3.48Å; L86-L93 HydrophobicContact CD2-CD2 3.56Å; L86-L93 HydrophobicContact CD2-CG 3.88Å; L86-L93 HydrophobicContact CG-CD2 4.38Å; A90-L93 HydrophobicContact CB-CB 4.1Å; A90-L93 WeakPolarHBondContact O-CB 3.23Å; A90-L93 PolarHBondContact O-N 3.23Å
94G72.9Confident63.6Low15 Ų1546.4 Ų46.416%0.15528%0.282CS..SBendtrans115.3-162.2179.100000113.5E22 H92E22-G94 WeakPolarHBondContact OE1-CA 3.37Å; H92-G94 PolarHBondContact O-N 2.95Å
95S74.3Confident63.9Low13 Ų1344.4 Ų44.49%0.09126%0.26CS..  trans-86.3158.9-179.171.40000113.3V5 E22 Q24 P97 L98 E99V5-S95 VanDerWaalsContact CG2-OG 3.31Å; V5-S95 WeakPolarHBondContact CG2-OG 3.47Å; E22-S95 PolarHBondContact OE1-N 3.24Å; E22-S95 VanDerWaalsContact OE2-CB 3.26Å; E22-S95 WeakPolarHBondContact OE2-CB 3.42Å; E22-S95 PolarHBondContact OE2-OG 3.05Å; Q24-S95 PolarHBondContact NE2-OG 3.21Å; S95-P97 VanDerWaalsContact C-CD 3.47Å; S95-P97 VanDerWaalsContact C-N 3.33Å; S95-P97 WeakPolarHBondContact OG-CD 3.45Å; S95-L98 WeakPolarHBondContact O-CA 3.45Å; S95-L98 VanDerWaalsContact O-CB 3.31Å; S95-L98 WeakPolarHBondContact O-CB 3.25Å; S95-L98 PolarHBondContact O-N 3.18Å; S95-E99 PolarHBondContact O-N 3.05Å; S95-E99 VanDerWaalsContact O-N 3.08Å
96A70.5Confident64.2Low72 Ų7248.4 Ų48.460%0.59527%0.272SS*.Hα-helixtrans-56.4-37175.900000114.3L98 E99 Q100A96-L98 VanDerWaalsContact C-N 3.3Å; A96-L98 PolarHBondContact O-N 3.21Å; A96-E99 WeakPolarHBondContact O-CB 3.31Å; A96-E99 PolarHBondContact O-N 3.44Å; A96-Q100 PolarHBondContact O-N 3.17Å
97P69.5Low64.5Low30 Ų3047.8 Ų47.820%0.19527%0.268CS..Hα-helixtrans-64.5-29.8171.1-2130.8000114.1G3 V5 S95 Q100 L101G3-P97 WeakPolarHBondContact O-CB 3.18Å; G3-P97 WeakPolarHBondContact O-CG 3.49Å; V5-P97 HydrophobicContact CB-CB 4.41Å; V5-P97 HydrophobicContact CG2-CB 3.95Å; S95-P97 VanDerWaalsContact C-CD 3.47Å; S95-P97 VanDerWaalsContact C-N 3.33Å; S95-P97 WeakPolarHBondContact OG-CD 3.45Å; P97-Q100 WeakPolarHBondContact O-CB 3.41Å; P97-Q100 PolarHBondContact O-N 3Å; P97-L101 PolarHBondContact O-N 3.1Å; P97-L101 VanDerWaalsContact O-N 3.17Å
98L72.1Confident64.6Low0 Ų049 Ų490%027%0.274CS..Hα-helixtrans-69.2-43.3172.5176.765.6000110.8V5 E8 V20 E22 L86 S95 A96 Q100 L101 L102V5-L98 HydrophobicContact CG1-CD1 4.19Å; V5-L98 HydrophobicContact CG2-CB 4.05Å; E8-L98 HydrophobicContact CB-CD1 3.87Å; E8-L98 HydrophobicContact CG-CD1 3.6Å; V20-L98 HydrophobicContact CG1-CD2 3.54Å; E22-L98 HydrophobicContact CG-CD2 4.3Å; E22-L98 WeakPolarHBondContact OE1-CD2 3.35Å; L86-L98 HydrophobicContact CD1-CD2 4.04Å; L86-L98 HydrophobicContact CD1-CG 4.48Å; S95-L98 WeakPolarHBondContact O-CA 3.45Å; S95-L98 VanDerWaalsContact O-CB 3.31Å; S95-L98 WeakPolarHBondContact O-CB 3.25Å; S95-L98 PolarHBondContact O-N 3.18Å; A96-L98 VanDerWaalsContact C-N 3.3Å; A96-L98 PolarHBondContact O-N 3.21Å; L98-Q100 PolarHBondContact O-N 3.29Å; L98-Q100 VanDerWaalsContact O-N 3.16Å; L98-L101 PolarHBondContact O-N 2.62Å; L98-L101 VanDerWaalsContact O-N 3.07Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CD2 4.47Å; L98-L102 HydrophobicContact CD1-CG 4.13Å; L98-L102 HydrophobicContact CD2-CD1 4.43Å; L98-L102 HydrophobicContact CG-CD1 3.83Å; L98-L102 HydrophobicContact CG-CG 4.3Å; L98-L102 WeakPolarHBondContact O-CD1 3.5Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.37Å; L98-L102 PolarHBondContact O-N 3.18Å
99E68.7Low64.7Low76 Ų7648.6 Ų48.636%0.35527%0.266SS..Hα-helixtrans-54.4-35.4175.4-64.7-179177.800111.6P91 H92 S95 A96 L103P91-E99 VanDerWaalsContact O-OE1 3.06Å; H92-E99 WeakPolarHBondContact CA-OE1 3.49Å; H92-E99 IonicContact CG-OE1 2.72Å; H92-E99 IonicContact ND1-OE1 3.21Å; H92-E99 PolarHBondContact ND1-OE1 3.39Å; S95-E99 PolarHBondContact O-N 3.05Å; S95-E99 VanDerWaalsContact O-N 3.08Å; A96-E99 WeakPolarHBondContact O-CB 3.31Å; A96-E99 PolarHBondContact O-N 3.44Å; E99-L103 PolarHBondContact O-N 2.95Å
100Q67.4Low64.9Low29 Ų2943.2 Ų43.214%0.13625%0.248CC..Hα-helixtrans-68.6-47.2174.4-178.9-176.33.700113.1A96 P97 L98 L102 L103 E104 A267 L270 E271A96-Q100 PolarHBondContact O-N 3.17Å; P97-Q100 WeakPolarHBondContact O-CB 3.41Å; P97-Q100 PolarHBondContact O-N 3Å; L98-Q100 PolarHBondContact O-N 3.29Å; L98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-L102 VanDerWaalsContact C-N 3.27Å; Q100-L102 PolarHBondContact O-N 2.86Å; Q100-L103 WeakPolarHBondContact O-CB 3.34Å; Q100-L103 PolarHBondContact O-N 3.29Å; Q100-L103 VanDerWaalsContact O-N 3.15Å; Q100-E104 PolarHBondContact O-N 2.78Å; Q100-A267 PolarHBondContact NE2-O 2.94Å; Q100-L270 HydrophobicContact CG-CB 3.92Å; Q100-L270 HydrophobicContact CG-CD1 4.22Å; Q100-E271 VanDerWaalsContact NE2-CA 3.26Å
101L66.9Low65.3Low44 Ų4452.7 Ų52.723%0.2329%0.292CS..Hα-helixtrans-59.5-40.9179.2-172.4157.7000111V5 E8 P97 L98 L103 E104 E105V5-L101 HydrophobicContact CG1-CD1 4.29Å; E8-L101 WeakPolarHBondContact OE1-CD2 3.43Å; E8-L101 VanDerWaalsContact OE2-CD1 3.3Å; E8-L101 WeakPolarHBondContact OE2-CD1 3.37Å; P97-L101 PolarHBondContact O-N 3.1Å; P97-L101 VanDerWaalsContact O-N 3.17Å; L98-L101 PolarHBondContact O-N 2.62Å; L98-L101 VanDerWaalsContact O-N 3.07Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 PolarHBondContact O-N 3.11Å; L101-E104 VanDerWaalsContact O-CB 3.31Å; L101-E104 WeakPolarHBondContact O-CB 3.12Å; L101-E104 PolarHBondContact O-N 3.2Å; L101-E104 VanDerWaalsContact O-N 3.07Å; L101-E105 PolarHBondContact O-N 3.49Å
102L67.8Low66.4Low19 Ų1949.6 Ų49.610%0.09927%0.271CS..Hα-helixtrans-69.9-26.1178.9-61.2159.5000113.6L86 L98 Q100 E104 E105 K106L86-L102 HydrophobicContact CB-CD1 3.86Å; L86-L102 HydrophobicContact CB-CD2 4.16Å; L86-L102 HydrophobicContact CD1-CD1 3.1Å; L86-L102 HydrophobicContact CD1-CD2 3.59Å; L86-L102 HydrophobicContact CD1-CG 3.89Å; L86-L102 HydrophobicContact CD2-CD1 4.31Å; L86-L102 HydrophobicContact CG-CD1 3.89Å; L86-L102 HydrophobicContact CG-CD2 4.41Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CD2 4.47Å; L98-L102 HydrophobicContact CD1-CG 4.13Å; L98-L102 HydrophobicContact CD2-CD1 4.43Å; L98-L102 HydrophobicContact CG-CD1 3.83Å; L98-L102 HydrophobicContact CG-CG 4.3Å; L98-L102 WeakPolarHBondContact O-CD1 3.5Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.37Å; L98-L102 PolarHBondContact O-N 3.18Å; Q100-L102 VanDerWaalsContact C-N 3.27Å; Q100-L102 PolarHBondContact O-N 2.86Å; L102-E104 VanDerWaalsContact C-N 3.27Å; L102-E105 PolarHBondContact O-N 2.81Å; L102-K106 WeakPolarHBondContact O-CB 3.41Å; L102-K106 WeakPolarHBondContact O-CG 3.26Å; L102-K106 PolarHBondContact O-N 2.8Å
103L68.4Low67.5Low22 Ų2245.9 Ų45.912%0.11526%0.259CS..Hα-helixtrans-63.9-39.3171.4-174.667.9000110.3E99 Q100 L101 K106 L107 H233 S265 L270E99-L103 PolarHBondContact O-N 2.95Å; Q100-L103 WeakPolarHBondContact O-CB 3.34Å; Q100-L103 PolarHBondContact O-N 3.29Å; Q100-L103 VanDerWaalsContact O-N 3.15Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 PolarHBondContact O-N 3.11Å; L103-K106 PolarHBondContact O-N 3.22Å; L103-L107 VanDerWaalsContact O-CG 3.29Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.29Å; L103-H233 HydrophobicContact CD1-CB 3.76Å; L103-H233 HydrophobicContact CG-CB 4.43Å; L103-S265 VanDerWaalsContact CD2-OG 3.27Å; L103-S265 WeakPolarHBondContact CD2-OG 3.44Å; L103-L270 HydrophobicContact CD2-CD1 3.43Å; L103-L270 VanDerWaalsContact CD2-CD1 3.43Å
104E65.1Low68.4Low34 Ų3449.6 Ų49.616%0.15928%0.283CS..Hα-helixtrans-62-45.8174.7-61.9-170126.500111.2Q100 L101 L102 K106 L107 N108 A267 R804Q100-E104 PolarHBondContact O-N 2.78Å; L101-E104 VanDerWaalsContact O-CB 3.31Å; L101-E104 WeakPolarHBondContact O-CB 3.12Å; L101-E104 PolarHBondContact O-N 3.2Å; L101-E104 VanDerWaalsContact O-N 3.07Å; L102-E104 VanDerWaalsContact C-N 3.27Å; E104-K106 VanDerWaalsContact C-N 3.35Å; E104-K106 PolarHBondContact O-N 2.76Å; E104-L107 WeakPolarHBondContact O-CB 3.48Å; E104-L107 PolarHBondContact O-N 2.9Å; E104-N108 PolarHBondContact O-N 2.82Å; E104-N108 PolarHBondContact O-ND2 2.87Å; E104-N108 VanDerWaalsContact O-ND2 3.11Å; E104-A267 HydrophobicContact CG-CB 3.27Å; E104-A267 VanDerWaalsContact OE1-CB 3.28Å; E104-A267 WeakPolarHBondContact OE1-CB 3.38Å; E104-R804 VanDerWaalsContact CD-NH2 3.35Å; E104-R804 IonicContact OE1-CZ 3.56Å; E104-R804 IonicContact OE1-NE 2.74Å; E104-R804 IonicContact OE1-NH2 3.46Å; E104-R804 PolarHBondContact OE1-NH2 2.88Å
105E62.8Low69.1Low74 Ų7453.2 Ų53.235%0.34630%0.299SS..Hα-helixtrans-62.3-40177.4-165.6-177.7-160.700112.5L101 L102 N108 S109L101-E105 PolarHBondContact O-N 3.49Å; L102-E105 PolarHBondContact O-N 2.81Å; E105-N108 PolarHBondContact O-N 2.97Å; E105-S109 PolarHBondContact O-N 2.84Å; E105-S109 VanDerWaalsContact O-N 3.16Å; E105-S109 PolarHBondContact O-OG 2.82Å
106K64.3Low69.8Low104 Ų10452.7 Ų52.745%0.45230%0.295SS..Hα-helixtrans-65.8-36.7175.5-80.8-176.1179.1-179.60113.4L102 L103 E104 N108 S109 G110L102-K106 WeakPolarHBondContact O-CB 3.41Å; L102-K106 WeakPolarHBondContact O-CG 3.26Å; L102-K106 PolarHBondContact O-N 2.8Å; L103-K106 PolarHBondContact O-N 3.22Å; E104-K106 VanDerWaalsContact C-N 3.35Å; E104-K106 PolarHBondContact O-N 2.76Å; K106-N108 PolarHBondContact O-N 2.78Å; K106-S109 PolarHBondContact O-N 2.92Å; K106-G110 PolarHBondContact O-N 2.88Å
107L64.6Low70.8Confident13 Ų1349.2 Ų49.27%0.06827%0.267CS..Hα-helixtrans-59.4-32.8176-78.4169.3000112L103 E104 H233L103-L107 VanDerWaalsContact O-CG 3.29Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.29Å; E104-L107 WeakPolarHBondContact O-CB 3.48Å; E104-L107 PolarHBondContact O-N 2.9Å; L107-H233 VanDerWaalsContact CD2-CA 3.49Å; L107-H233 HydrophobicContact CD2-CB 3.71Å; L107-H233 HydrophobicContact CG-CB 4.32Å
108N57.7Low71.8Confident44 Ų4449.3 Ų49.324%0.23527%0.27CS..Hα-helixtrans-85.9-27.6-178.6-62.2-35000113.2E104 E105 K106 R228 D768E104-N108 PolarHBondContact O-N 2.82Å; E104-N108 PolarHBondContact O-ND2 2.87Å; E104-N108 VanDerWaalsContact O-ND2 3.11Å; E105-N108 PolarHBondContact O-N 2.97Å; K106-N108 PolarHBondContact O-N 2.78Å; N108-R228 PolarHBondContact O-NE 2.79Å; N108-R228 PolarHBondContact O-NH2 3.03Å; N108-D768 VanDerWaalsContact CG-OD2 3.23Å; N108-D768 PolarHBondContact ND2-OD1 3.32Å; N108-D768 PolarHBondContact ND2-OD2 3.26Å
109S56.2Low72.8Confident81 Ų8149.5 Ų49.557%0.56627%0.271SS*.Hα-helixtrans-108.5-15.1-171.557.80000115.7E105 K106E105-S109 PolarHBondContact O-N 2.84Å; E105-S109 VanDerWaalsContact O-N 3.16Å; E105-S109 PolarHBondContact O-OG 2.82Å; K106-S109 PolarHBondContact O-N 2.92Å
110G56.2Low73.9Confident27 Ų2745.9 Ų45.928%0.27825%0.254SS..PPolyproline II helixtrans-71.4149.9-163.900000117.9K106K106-G110 PolarHBondContact O-N 2.88Å
111E63.4Low75.1Confident200 Ų20045.1 Ų45.194%0.93525%0.251SS*.PPolyproline II helixtrans-80.8139.8166.1-66.3-177170.300110.8
112L77.4Confident76.4Confident17 Ų1743.2 Ų43.29%0.08924%0.24CC..PPolyproline II helixtrans-98.7131.6-173.9-159.472.5000111.4V116 A117 V224 Y227 L428L112-V116 HydrophobicContact CD1-CB 4.21Å; L112-V116 HydrophobicContact CD1-CG1 3.59Å; L112-V116 HydrophobicContact CG-CB 4.37Å; L112-V116 HydrophobicContact CG-CG1 4.21Å; L112-A117 HydrophobicContact CD2-CB 3.55Å; L112-A117 HydrophobicContact CG-CB 4.18Å; L112-V224 HydrophobicContact CB-CG2 4.28Å; L112-Y227 HydrophobicContact CD1-CD1 3.54Å; L112-Y227 HydrophobicContact CD1-CD2 3.47Å; L112-Y227 VanDerWaalsContact CD1-CD2 3.47Å; L112-Y227 HydrophobicContact CD1-CE1 3.91Å; L112-Y227 HydrophobicContact CD1-CE2 3.86Å; L112-Y227 HydrophobicContact CD1-CG 3.28Å; L112-Y227 HydrophobicContact CD2-CG 4.43Å; L112-Y227 HydrophobicContact CG-CG 4.5Å; L112-L428 HydrophobicContact CB-CD2 4.08Å
113S84.6Confident77.6Confident48 Ų4842.3 Ų42.334%0.33624%0.236SC..PPolyproline II helixtrans-73.5152.2172.576.50000111.3D115 V116 A117S113-D115 VanDerWaalsContact C-N 3.29Å; S113-D115 PolarHBondContact O-N 2.91Å; S113-V116 PolarHBondContact O-N 2.77Å; S113-V116 VanDerWaalsContact OG-CG2 3.26Å; S113-V116 WeakPolarHBondContact OG-CG2 3.35Å; S113-V116 PolarHBondContact OG-N 2.85Å; S113-A117 WeakPolarHBondContact O-CB 3.37Å; S113-A117 PolarHBondContact O-N 3.28Å
114P86.1Confident78.7Confident79 Ų7941.9 Ų41.951%0.51323%0.233SC..Hα-helixtrans-58.2-37.5179.7-26.235.1000114A117 A118P114-A117 PolarHBondContact O-N 2.94Å; P114-A118 PolarHBondContact O-N 2.86Å
115D86.8Confident80Confident91 Ų9143 Ų4349%0.48724%0.242SC..Hα-helixtrans-67.3-39.8179.7-63-27.2000111.7S113 F119 A236S113-D115 VanDerWaalsContact C-N 3.29Å; S113-D115 PolarHBondContact O-N 2.91Å; D115-F119 PolarHBondContact O-N 2.97Å; D115-F119 VanDerWaalsContact O-N 3.16Å; D115-A236 HydrophobicContact CB-CB 4.16Å
116V90Very high81.5Confident2 Ų240 Ų401%0.01223%0.228CC..Hα-helixtrans-70.8-39.1175.3177.40000110.1L112 S113 F119 V120 Y227 I234 A236L112-V116 HydrophobicContact CD1-CB 4.21Å; L112-V116 HydrophobicContact CD1-CG1 3.59Å; L112-V116 HydrophobicContact CG-CB 4.37Å; L112-V116 HydrophobicContact CG-CG1 4.21Å; S113-V116 PolarHBondContact O-N 2.77Å; S113-V116 VanDerWaalsContact OG-CG2 3.26Å; S113-V116 WeakPolarHBondContact OG-CG2 3.35Å; S113-V116 PolarHBondContact OG-N 2.85Å; V116-F119 PolarHBondContact O-N 2.6Å; V116-V120 HydrophobicContact CG1-CG2 4.22Å; V116-V120 VanDerWaalsContact O-CG2 3.25Å; V116-V120 WeakPolarHBondContact O-CG2 3.3Å; V116-V120 PolarHBondContact O-N 2.69Å; V116-Y227 HydrophobicContact CG1-CD2 4.19Å; V116-Y227 HydrophobicContact CG1-CE2 4.19Å; V116-I234 HydrophobicContact CG1-CB 3.85Å; V116-I234 HydrophobicContact CG1-CG2 3.92Å; V116-I234 HydrophobicContact CG2-CG2 4.24Å; V116-A236 HydrophobicContact CG2-CB 4.3Å
117A90Very high82.8Confident0 Ų035.1 Ų35.10%021%0.207CC..Hα-helixtrans-59.8-47.7175.900000112.2L112 S113 P114 F119 V120 E121 I426 L428L112-A117 HydrophobicContact CD2-CB 3.55Å; L112-A117 HydrophobicContact CG-CB 4.18Å; S113-A117 WeakPolarHBondContact O-CB 3.37Å; S113-A117 PolarHBondContact O-N 3.28Å; P114-A117 PolarHBondContact O-N 2.94Å; A117-F119 VanDerWaalsContact C-N 3.29Å; A117-F119 PolarHBondContact O-N 3.35Å; A117-V120 PolarHBondContact O-N 3.08Å; A117-E121 VanDerWaalsContact O-CG 3.32Å; A117-E121 WeakPolarHBondContact O-CG 3.49Å; A117-E121 PolarHBondContact O-N 2.94Å; A117-I426 HydrophobicContact CB-CD1 4.17Å; A117-I426 HydrophobicContact CB-CG1 4.2Å; A117-I426 HydrophobicContact CB-CG2 3.57Å; A117-L428 HydrophobicContact CB-CD2 4.07Å
118A91.6Very high84Confident32 Ų3237 Ų3726%0.26422%0.217SC..Hα-helixtrans-60.4-39.9176.200000112.2P114 E121 L122 P424 I426P114-A118 PolarHBondContact O-N 2.86Å; A118-E121 PolarHBondContact O-N 3.4Å; A118-L122 PolarHBondContact O-N 2.82Å; A118-P424 HydrophobicContact CB-CG 4.34Å; A118-I426 HydrophobicContact CB-CD1 4.24Å
119F92.5Very high85.6Confident4 Ų436.1 Ų36.12%0.01822%0.217CC..Hα-helixtrans-66.3-43.5176.7179.7-110.9000112.6D115 V116 A117 E121 L122 L123 I234 M262 F347 I409D115-F119 PolarHBondContact O-N 2.97Å; D115-F119 VanDerWaalsContact O-N 3.16Å; V116-F119 PolarHBondContact O-N 2.6Å; A117-F119 VanDerWaalsContact C-N 3.29Å; A117-F119 PolarHBondContact O-N 3.35Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 2.86Å; F119-L122 WeakPolarHBondContact O-CB 3.42Å; F119-L122 PolarHBondContact O-N 3.12Å; F119-L123 HydrophobicContact CD1-CD1 4.33Å; F119-L123 HydrophobicContact CD1-CG 4.47Å; F119-L123 HydrophobicContact CE1-CD1 3.65Å; F119-L123 HydrophobicContact CE1-CD2 4.26Å; F119-L123 HydrophobicContact CE1-CG 3.97Å; F119-L123 HydrophobicContact CE2-CD2 4Å; F119-L123 HydrophobicContact CE2-CG 4.32Å; F119-L123 HydrophobicContact CZ-CD1 3.9Å; F119-L123 HydrophobicContact CZ-CD2 3.65Å; F119-L123 HydrophobicContact CZ-CG 3.86Å; F119-L123 WeakPolarHBondContact O-CG 3.46Å; F119-L123 PolarHBondContact O-N 2.91Å; F119-I234 HydrophobicContact CD1-CD1 4.46Å; F119-I234 HydrophobicContact CD1-CG2 4.45Å; F119-I234 HydrophobicContact CE1-CD1 4.45Å; F119-M262 HydrophobicContact CB-CE 4.19Å; F119-M262 HydrophobicContact CB-SD 3.71Å; F119-M262 HydrophobicContact CD1-CE 3.51Å; F119-M262 HydrophobicContact CD1-SD 3.4Å; F119-M262 WeakPolarHBondContact CD1-SD 3.41Å; F119-M262 HydrophobicContact CD2-CE 3.31Å; F119-M262 HydrophobicContact CD2-SD 4Å; F119-M262 HydrophobicContact CE1-CE 3.62Å; F119-M262 HydrophobicContact CE1-SD 4.02Å; F119-M262 HydrophobicContact CE2-CE 3.44Å; F119-M262 VanDerWaalsContact CE2-CE 3.44Å; F119-M262 HydrophobicContact CG-CE 3.36Å; F119-M262 HydrophobicContact CG-SD 3.4Å; F119-M262 WeakPolarHBondContact CG-SD 3.2Å; F119-M262 HydrophobicContact CZ-CE 3.61Å; F119-F347 HydrophobicContact CE2-CD1 4.45Å; F119-F347 AromaticContact CE2-CE1 3.91Å; F119-F347 HydrophobicContact CE2-CE1 3.91Å; F119-F347 AromaticContact CE2-CZ 3.96Å; F119-F347 HydrophobicContact CE2-CZ 3.96Å; F119-I409 HydrophobicContact CE1-CD1 4.21Å; F119-I409 HydrophobicContact CE1-CG2 4.38Å; F119-I409 HydrophobicContact CE2-CD1 4.47Å; F119-I409 HydrophobicContact CZ-CD1 3.54Å; F119-I409 HydrophobicContact CZ-CG1 4.33Å; F119-I409 HydrophobicContact CZ-CG2 4.38Å
120V92.3Very high87.2Confident0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-60.4-45.7175.6169.50000110.4V116 A117 L122 L123 W124 K226 Y227 L230 I234V116-V120 HydrophobicContact CG1-CG2 4.22Å; V116-V120 VanDerWaalsContact O-CG2 3.25Å; V116-V120 WeakPolarHBondContact O-CG2 3.3Å; V116-V120 PolarHBondContact O-N 2.69Å; A117-V120 PolarHBondContact O-N 3.08Å; V120-L122 VanDerWaalsContact C-N 3.3Å; V120-L122 PolarHBondContact O-N 3.31Å; V120-L123 PolarHBondContact O-N 3.31Å; V120-W124 VanDerWaalsContact O-CD1 3.26Å; V120-W124 PolarHBondContact O-N 3.06Å; V120-W124 VanDerWaalsContact O-N 3.15Å; V120-K226 HydrophobicContact CG1-CB 3.64Å; V120-Y227 HydrophobicContact CG2-CD2 3.94Å; V120-L230 HydrophobicContact CG1-CD1 4.24Å; V120-L230 HydrophobicContact CG2-CD1 4Å; V120-I234 HydrophobicContact CG2-CD1 4.35Å
121E92.8Very high88.9Confident13 Ų1332.8 Ų32.86%0.06119%0.189CC..Hα-helixtrans-57.4-43.3175.5-70.9-65.7160.300111.8A117 A118 F119 L123 W124 T125 S223 K226 F422 P424A117-E121 VanDerWaalsContact O-CG 3.32Å; A117-E121 WeakPolarHBondContact O-CG 3.49Å; A117-E121 PolarHBondContact O-N 2.94Å; A118-E121 PolarHBondContact O-N 3.4Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 2.86Å; E121-L123 PolarHBondContact O-N 2.85Å; E121-W124 PolarHBondContact O-N 2.99Å; E121-T125 WeakPolarHBondContact O-CB 3.4Å; E121-T125 PolarHBondContact O-N 3.2Å; E121-T125 PolarHBondContact O-OG1 3.24Å; E121-S223 WeakPolarHBondContact OE1-CB 3.49Å; E121-S223 PolarHBondContact OE1-OG 3.11Å; E121-K226 WeakPolarHBondContact OE1-CD 3.49Å; E121-K226 IonicContact OE1-NZ 2.86Å; E121-K226 PolarHBondContact OE1-NZ 2.85Å; E121-K226 IonicContact OE2-NZ 2.88Å; E121-K226 PolarHBondContact OE2-NZ 3.08Å; E121-F422 HydrophobicContact CB-CE1 4.42Å; E121-F422 HydrophobicContact CB-CZ 4.28Å; E121-P424 HydrophobicContact CB-CB 3.63Å; E121-P424 HydrophobicContact CB-CG 3.79Å; E121-P424 HydrophobicContact CG-CB 3.87Å; E121-P424 HydrophobicContact CG-CG 4.16Å
122L93.8Very high90.2Very high3 Ų329.1 Ų29.12%0.01617%0.172CC..Hα-helixtrans-58.7-45.7176.1179.461.7000112.2A118 F119 V120 W124 T125 E126 T342 D343 F347 F422A118-L122 PolarHBondContact O-N 2.82Å; F119-L122 WeakPolarHBondContact O-CB 3.42Å; F119-L122 PolarHBondContact O-N 3.12Å; V120-L122 VanDerWaalsContact C-N 3.3Å; V120-L122 PolarHBondContact O-N 3.31Å; L122-W124 VanDerWaalsContact C-N 3.32Å; L122-W124 PolarHBondContact O-N 3.42Å; L122-T125 PolarHBondContact O-N 2.73Å; L122-E126 VanDerWaalsContact O-CB 3.29Å; L122-E126 WeakPolarHBondContact O-CB 3.43Å; L122-E126 PolarHBondContact O-N 3.5Å; L122-T342 HydrophobicContact CD1-CG2 3.61Å; L122-D343 HydrophobicContact CD1-CB 4.05Å; L122-D343 WeakPolarHBondContact CD2-OD2 3.37Å; L122-F347 HydrophobicContact CD2-CE1 4.1Å; L122-F347 HydrophobicContact CD2-CZ 3.69Å; L122-F347 HydrophobicContact CG-CZ 4.13Å; L122-F422 HydrophobicContact CB-CD1 4.38Å; L122-F422 HydrophobicContact CB-CE1 3.81Å; L122-F422 HydrophobicContact CD1-CD1 4.18Å; L122-F422 HydrophobicContact CD1-CE1 4.18Å
123L93.7Very high90.8Very high0 Ų032.9 Ų32.90%019%0.192CC..Hα-helixtrans-59.2-43.7178.2-66.4-171.4000112.2F119 V120 E121 A127 L230 F292 M296 F347F119-L123 HydrophobicContact CD1-CD1 4.33Å; F119-L123 HydrophobicContact CD1-CG 4.47Å; F119-L123 HydrophobicContact CE1-CD1 3.65Å; F119-L123 HydrophobicContact CE1-CD2 4.26Å; F119-L123 HydrophobicContact CE1-CG 3.97Å; F119-L123 HydrophobicContact CE2-CD2 4Å; F119-L123 HydrophobicContact CE2-CG 4.32Å; F119-L123 HydrophobicContact CZ-CD1 3.9Å; F119-L123 HydrophobicContact CZ-CD2 3.65Å; F119-L123 HydrophobicContact CZ-CG 3.86Å; F119-L123 WeakPolarHBondContact O-CG 3.46Å; F119-L123 PolarHBondContact O-N 2.91Å; V120-L123 PolarHBondContact O-N 3.31Å; E121-L123 PolarHBondContact O-N 2.85Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 2.96Å; L123-L230 HydrophobicContact CD1-CD1 4.03Å; L123-F292 HydrophobicContact CD2-CB 3.55Å; L123-F292 HydrophobicContact CD2-CG 4.48Å; L123-M296 HydrophobicContact CD1-CG 3.92Å; L123-F347 HydrophobicContact CD2-CD2 4.25Å; L123-F347 HydrophobicContact CD2-CE2 3.57Å; L123-F347 HydrophobicContact CD2-CZ 4.14Å
124W91.6Very high91.1Very high14 Ų1433 Ų335%0.05319%0.189CC..Hα-helixtrans-69.7-46-179.8-84.689.8000112.5V120 E121 L122 E126 A127 L128 V211 T215 K226 A229 V293V120-W124 VanDerWaalsContact O-CD1 3.26Å; V120-W124 PolarHBondContact O-N 3.06Å; V120-W124 VanDerWaalsContact O-N 3.15Å; E121-W124 PolarHBondContact O-N 2.99Å; L122-W124 VanDerWaalsContact C-N 3.32Å; L122-W124 PolarHBondContact O-N 3.42Å; W124-E126 VanDerWaalsContact C-N 3.31Å; W124-E126 PolarHBondContact O-N 3.35Å; W124-A127 PolarHBondContact O-N 2.77Å; W124-L128 HydrophobicContact CE3-CD1 4.14Å; W124-L128 WeakPolarHBondContact O-CB 3.4Å; W124-L128 WeakPolarHBondContact O-CG 3.26Å; W124-L128 PolarHBondContact O-N 3.04Å; W124-V211 HydrophobicContact CH2-CB 4.09Å; W124-V211 HydrophobicContact CH2-CG1 3.35Å; W124-V211 HydrophobicContact CZ2-CB 4.25Å; W124-V211 HydrophobicContact CZ2-CG1 3.08Å; W124-V211 HydrophobicContact CZ3-CG1 4.32Å; W124-T215 HydrophobicContact CH2-CG2 4.22Å; W124-T215 HydrophobicContact CZ2-CG2 4.19Å; W124-K226 HydrophobicContact CB-CD 4.36Å; W124-K226 HydrophobicContact CD2-CD 4.27Å; W124-K226 HydrophobicContact CD2-CG 4.11Å; W124-K226 HydrophobicContact CG-CB 4.45Å; W124-K226 HydrophobicContact CG-CD 3.95Å; W124-K226 HydrophobicContact CG-CG 4.21Å; W124-K226 HydrophobicContact CZ2-CB 4.17Å; W124-K226 HydrophobicContact CZ2-CG 3.98Å; W124-K226 VanDerWaalsContact NE1-CB 3.34Å; W124-K226 PolarHBondContact NE1-O 3.26Å; W124-A229 HydrophobicContact CZ2-CB 4.12Å; W124-V293 HydrophobicContact CD2-CG2 4.48Å
125T92.3Very high91.4Very high56 Ų5629.4 Ų29.434%0.34417%0.165SC..Hα-helixtrans-60-43.2178.3-61.30000111.3E121 L122 G129 T342 F422E121-T125 WeakPolarHBondContact O-CB 3.4Å; E121-T125 PolarHBondContact O-N 3.2Å; E121-T125 PolarHBondContact O-OG1 3.24Å; L122-T125 PolarHBondContact O-N 2.73Å; T125-G129 PolarHBondContact O-N 3.23Å; T125-T342 HydrophobicContact CG2-CG2 3.96Å; T125-F422 HydrophobicContact CG2-CE2 4.35Å
126E92.8Very high91.5Very high13 Ų1334.4 Ų34.46%0.06118%0.177CC..Hα-helixtrans-66.1-43.6-179.6-169.571.7-17400112.2L122 W124 C130 P289 S340 E341 T342L122-E126 VanDerWaalsContact O-CB 3.29Å; L122-E126 WeakPolarHBondContact O-CB 3.43Å; L122-E126 PolarHBondContact O-N 3.5Å; W124-E126 VanDerWaalsContact C-N 3.31Å; W124-E126 PolarHBondContact O-N 3.35Å; E126-C130 VanDerWaalsContact O-CB 3.32Å; E126-C130 WeakPolarHBondContact O-CB 3.43Å; E126-C130 PolarHBondContact O-N 3.1Å; E126-P289 HydrophobicContact CG-CB 3.65Å; E126-S340 WeakPolarHBondContact OE1-CA 3.43Å; E126-S340 PolarHBondContact OE2-OG 3.29Å; E126-E341 PolarHBondContact OE1-N 2.97Å; E126-E341 PolarHBondContact OE2-N 3.37Å; E126-T342 WeakPolarHBondContact OE2-CB 3.22Å; E126-T342 PolarHBondContact OE2-N 3.2Å; E126-T342 VanDerWaalsContact OE2-N 3.12Å; E126-T342 PolarHBondContact OE2-OG1 3.49Å
127A91.9Very high91.5Very high1 Ų136.8 Ų36.81%0.00819%0.192CC..Hα-helixtrans-66.4-47.9178.200000112.2L123 W124 C130 L131 L204 V208 S290 V293L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 2.96Å; W124-A127 PolarHBondContact O-N 2.77Å; A127-C130 PolarHBondContact O-N 2.97Å; A127-L131 WeakPolarHBondContact O-CG 3.39Å; A127-L131 PolarHBondContact O-N 3.19Å; A127-L204 HydrophobicContact CB-CD1 4.48Å; A127-V208 HydrophobicContact CB-CG2 4.01Å; A127-S290 WeakPolarHBondContact CB-O 3.24Å; A127-V293 HydrophobicContact CB-CB 4.1Å; A127-V293 HydrophobicContact CB-CG1 3.57Å
128L90.9Very high91.3Very high53 Ų5340.9 Ų40.928%0.27722%0.218SC..Hα-helixtrans-65.6-43.5178.9-72.8169.7000111.7W124 C130 L131 E132 I139 V208W124-L128 HydrophobicContact CE3-CD1 4.14Å; W124-L128 WeakPolarHBondContact O-CB 3.4Å; W124-L128 WeakPolarHBondContact O-CG 3.26Å; W124-L128 PolarHBondContact O-N 3.04Å; L128-C130 VanDerWaalsContact C-N 3.34Å; L128-C130 PolarHBondContact O-N 2.61Å; L128-L131 PolarHBondContact O-N 3.32Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L128-E132 WeakPolarHBondContact O-CG 3.35Å; L128-E132 PolarHBondContact O-N 3.45Å; L128-I139 HydrophobicContact CD2-CG2 4Å; L128-V208 HydrophobicContact CD2-CG1 3.72Å
129G90.5Very high91Very high24 Ų2440.9 Ų40.925%0.24721%0.213CC..Hα-helixtrans-60.9-41.7177.400000112.5T125 L131 E132 N133T125-G129 PolarHBondContact O-N 3.23Å; G129-L131 VanDerWaalsContact C-N 3.32Å; G129-L131 PolarHBondContact O-N 2.81Å; G129-E132 PolarHBondContact O-N 3.1Å; G129-N133 VanDerWaalsContact O-CG 3.3Å; G129-N133 PolarHBondContact O-N 3.49Å; G129-N133 VanDerWaalsContact O-N 3.08Å; G129-N133 PolarHBondContact O-ND2 3.35Å
130C90.3Very high90.2Very high34 Ų3445.6 Ų45.623%0.2325%0.247CC..Hα-helixtrans-57.1-45.6173.7-176.30000111.8E126 A127 L128 N133 I134 L204E126-C130 VanDerWaalsContact O-CB 3.32Å; E126-C130 WeakPolarHBondContact O-CB 3.43Å; E126-C130 PolarHBondContact O-N 3.1Å; A127-C130 PolarHBondContact O-N 2.97Å; L128-C130 VanDerWaalsContact C-N 3.34Å; L128-C130 PolarHBondContact O-N 2.61Å; C130-N133 PolarHBondContact O-N 2.81Å; C130-I134 WeakPolarHBondContact O-CG1 3.16Å; C130-I134 PolarHBondContact O-N 2.88Å; C130-L204 HydrophobicContact CB-CD2 4.5Å
131L91.8Very high89.7Confident4 Ų448.3 Ų48.32%0.02128%0.275CS..Hα-helixtrans-71-39.4-179.9-66178.9000112.6A127 L128 G129 N133 I134 L135 I139 L201 L204 I205 V208A127-L131 WeakPolarHBondContact O-CG 3.39Å; A127-L131 PolarHBondContact O-N 3.19Å; L128-L131 PolarHBondContact O-N 3.32Å; L128-L131 VanDerWaalsContact O-N 3.16Å; G129-L131 VanDerWaalsContact C-N 3.32Å; G129-L131 PolarHBondContact O-N 2.81Å; L131-N133 VanDerWaalsContact C-N 3.25Å; L131-N133 PolarHBondContact O-N 2.83Å; L131-I134 PolarHBondContact O-N 3Å; L131-I134 VanDerWaalsContact O-N 3.12Å; L131-L135 HydrophobicContact CB-CD1 4.41Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 PolarHBondContact O-N 2.86Å; L131-I139 HydrophobicContact CD1-CD1 3.35Å; L131-L201 HydrophobicContact CD2-CD1 3.54Å; L131-L204 HydrophobicContact CD1-CG 4.23Å; L131-L204 HydrophobicContact CD2-CB 4.47Å; L131-L204 HydrophobicContact CD2-CD2 3.68Å; L131-L204 HydrophobicContact CD2-CG 3.89Å; L131-L204 HydrophobicContact CG-CD2 4.03Å; L131-L204 HydrophobicContact CG-CG 4.18Å; L131-I205 HydrophobicContact CD1-CG1 4.37Å; L131-I205 HydrophobicContact CD2-CG1 3.73Å; L131-V208 HydrophobicContact CD1-CB 4.03Å; L131-V208 HydrophobicContact CD1-CG1 4.35Å; L131-V208 HydrophobicContact CD1-CG2 3.77Å
132E89.9Confident89.4Confident123 Ų12348.6 Ų48.658%0.57528%0.277SS*.Hα-helixtrans-61.6-33.4175.7-77-175.2-18000112.7L128 G129 I134 R183L128-E132 WeakPolarHBondContact O-CG 3.35Å; L128-E132 PolarHBondContact O-N 3.45Å; G129-E132 PolarHBondContact O-N 3.1Å; E132-I134 VanDerWaalsContact C-N 3.33Å; E132-R183 PolarHBondContact O-NE 3.29Å; E132-R183 PolarHBondContact O-NH2 2.93Å
133N90.2Very high88.8Confident96 Ų9650.8 Ų50.851%0.51329%0.292SS..Hα-helixtrans-70.7-28.4176.2-74.3-22.5000112.7G129 C130 L131 R183G129-N133 VanDerWaalsContact O-CG 3.3Å; G129-N133 PolarHBondContact O-N 3.49Å; G129-N133 VanDerWaalsContact O-N 3.08Å; G129-N133 PolarHBondContact O-ND2 3.35Å; C130-N133 PolarHBondContact O-N 2.81Å; L131-N133 VanDerWaalsContact C-N 3.25Å; L131-N133 PolarHBondContact O-N 2.83Å; N133-R183 WeakPolarHBondContact O-CD 3.49Å
134I90.9Very high88Confident52 Ų5251.9 Ų51.927%0.26730%0.298SS..Hα-helixtrans-94.5-44-175.9-64169.9000111.6C130 L131 E132 H182 R183 L201C130-I134 WeakPolarHBondContact O-CG1 3.16Å; C130-I134 PolarHBondContact O-N 2.88Å; L131-I134 PolarHBondContact O-N 3Å; L131-I134 VanDerWaalsContact O-N 3.12Å; E132-I134 VanDerWaalsContact C-N 3.33Å; I134-H182 WeakPolarHBondContact O-CA 3.36Å; I134-R183 PolarHBondContact O-N 2.99Å; I134-L201 HydrophobicContact CD1-CD1 3.89Å; I134-L201 HydrophobicContact CG2-CD1 4.28Å; I134-L201 HydrophobicContact CG2-CD2 3.7Å
135L91.9Very high87.2Confident3 Ų355 Ų552%0.01632%0.316CS..BIsolated β-bridgetrans-91.9145.6-172.3-61.1173.8000111.8L131 L142 P181 R183 I205L131-L135 HydrophobicContact CB-CD1 4.41Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 PolarHBondContact O-N 2.86Å; L135-L142 HydrophobicContact CD1-CD1 3.9Å; L135-P181 WeakPolarHBondContact CA-O 3.15Å; L135-R183 WeakPolarHBondContact O-CG 3.44Å; L135-R183 PolarHBondContact O-NE 3.38Å; L135-I205 HydrophobicContact CD1-CD1 4.01Å; L135-I205 HydrophobicContact CD1-CG1 4.22Å; L135-I205 HydrophobicContact CD2-CD1 4.34Å
136R90.1Very high86.8Confident196 Ų19654.3 Ų54.374%0.7431%0.31SS*.SBendtrans-87.7-26176.2-174176.4179.4179.40.2112.3P181 R183R136-P181 HydrophobicContact CB-CB 4.09Å; R136-P181 PolarHBondContact N-O 2.82Å; R136-R183 HydrophobicContact CB-CG 4.38Å
137V89.4Confident86.5Confident52 Ų5253.7 Ų53.732%0.31531%0.307SS..SBendtrans-102.8146.7176-66.30000109.8L142 P181V137-L142 HydrophobicContact CG2-CD2 3.79Å; V137-L142 HydrophobicContact CG2-CG 4.19Å; V137-P181 HydrophobicContact CG1-CB 4.32Å; V137-P181 HydrophobicContact CG1-CG 4.08Å; V137-P181 HydrophobicContact CG2-CB 4.49Å; V137-P181 HydrophobicContact CG2-CG 4.18Å
138P86.1Confident85.9Confident85 Ų8553.8 Ų53.855%0.55231%0.308SS*.  trans-64.4149.9173.729-34.9000110.3S140 G141P138-S140 PolarHBondContact O-N 3.36Å; P138-G141 PolarHBondContact O-N 3.04Å
139I84.6Confident85.5Confident33 Ų3355 Ų5517%0.16931%0.308CS..G310 helixtrans-60.1-31.3-178.6-169.1140.8000113L128 L131 G141 L142 I205 V208 L209L128-I139 HydrophobicContact CD2-CG2 4Å; L131-I139 HydrophobicContact CD1-CD1 3.35Å; I139-G141 PolarHBondContact O-N 3.46Å; I139-G141 VanDerWaalsContact O-N 3.12Å; I139-L142 PolarHBondContact O-N 2.95Å; I139-I205 HydrophobicContact CD1-CG2 4.05Å; I139-V208 HydrophobicContact CD1-CB 3.79Å; I139-V208 HydrophobicContact CD1-CG1 3.6Å; I139-V208 HydrophobicContact CG1-CG1 4.39Å; I139-L209 HydrophobicContact CD1-CD2 4.49Å; I139-L209 HydrophobicContact CD1-CG 4.34Å; I139-L209 HydrophobicContact CG1-CD2 3.68Å; I139-L209 HydrophobicContact CG1-CG 4.03Å
140S77.2Confident85.4Confident103 Ų10353.9 Ų53.972%0.7230%0.297SS*.G310 helixtrans-64.4-13.3175.554.90000114.2P138P138-S140 PolarHBondContact O-N 3.36Å
141G81.4Confident85.2Confident57 Ų5753.4 Ų53.459%0.58829%0.291SS*.G310 helixtrans-92.4-0.417400000114.4P138 I139P138-G141 PolarHBondContact O-N 3.04Å; I139-G141 PolarHBondContact O-N 3.46Å; I139-G141 VanDerWaalsContact O-N 3.12Å
142L85.3Confident84.7Confident19 Ų1953.3 Ų53.310%0.09929%0.291CS..  trans-104.4145.3179.3-61.4178000110.6L135 V137 I139 L180 I205L135-L142 HydrophobicContact CD1-CD1 3.9Å; V137-L142 HydrophobicContact CG2-CD2 3.79Å; V137-L142 HydrophobicContact CG2-CG 4.19Å; I139-L142 PolarHBondContact O-N 2.95Å; L142-L180 HydrophobicContact CD1-CD2 4Å; L142-L180 HydrophobicContact CD2-CD2 4.11Å; L142-I205 HydrophobicContact CD1-CG2 4.14Å
143S81.6Confident84.5Confident49 Ų4948 Ų4834%0.34327%0.267SS..  trans-105155.8172.673.70000112N145 D146 V147S143-N145 PolarHBondContact O-N 2.93Å; S143-D146 WeakPolarHBondContact CB-OD2 3.44Å; S143-D146 PolarHBondContact N-OD2 3.38Å; S143-D146 VanDerWaalsContact N-OD2 3.16Å; S143-D146 PolarHBondContact O-N 2.96Å; S143-D146 VanDerWaalsContact O-N 3.11Å; S143-D146 PolarHBondContact OG-N 2.71Å; S143-D146 VanDerWaalsContact OG-N 3.17Å; S143-D146 PolarHBondContact OG-OD2 3.48Å; S143-V147 PolarHBondContact O-N 2.83Å
144L77.1Confident84.3Confident23 Ų2343.5 Ų43.512%0.1224%0.243CC..Hα-helixtrans-57.1-33.3173.1-74.3173.9000112.3V147 S148 R206 L209 E213L144-V147 PolarHBondContact O-N 2.98Å; L144-S148 PolarHBondContact O-N 3.08Å; L144-S148 PolarHBondContact O-OG 2.86Å; L144-R206 HydrophobicContact CD2-CG 4.1Å; L144-L209 HydrophobicContact CD2-CB 3.87Å; L144-L209 HydrophobicContact CD2-CD1 4.08Å; L144-L209 HydrophobicContact CG-CB 4.49Å; L144-E213 WeakPolarHBondContact CD1-OE1 3.49Å
145N75.4Confident83.9Confident79 Ų7941.9 Ų41.942%0.42223%0.234SC..Hα-helixtrans-66.5-40.9176.5-1701.8000111.7S143 V147 S148 R149S143-N145 PolarHBondContact O-N 2.93Å; N145-V147 VanDerWaalsContact C-N 3.25Å; N145-V147 PolarHBondContact O-N 2.86Å; N145-S148 PolarHBondContact O-N 2.86Å; N145-R149 WeakPolarHBondContact O-CB 3.28Å; N145-R149 WeakPolarHBondContact O-CG 3.41Å; N145-R149 PolarHBondContact O-N 2.93Å
146D84.2Confident83.4Confident42 Ų4242 Ų4223%0.22524%0.235CC..Hα-helixtrans-60.9-38.6175.2-61.3-46.3000111.4S143 A150S143-D146 WeakPolarHBondContact CB-OD2 3.44Å; S143-D146 PolarHBondContact N-OD2 3.38Å; S143-D146 VanDerWaalsContact N-OD2 3.16Å; S143-D146 PolarHBondContact O-N 2.96Å; S143-D146 VanDerWaalsContact O-N 3.11Å; S143-D146 PolarHBondContact OG-N 2.71Å; S143-D146 VanDerWaalsContact OG-N 3.17Å; S143-D146 PolarHBondContact OG-OD2 3.48Å; D146-A150 VanDerWaalsContact O-CB 3.31Å; D146-A150 WeakPolarHBondContact O-CB 3.38Å; D146-A150 PolarHBondContact O-N 3.12Å
147V86.2Confident83.1Confident0 Ų032.7 Ų32.70%020%0.2CC..Hα-helixtrans-67.3-46.7176.4-177.80000111.2S143 L144 N145 R149 A150 E151 C202 I205 R206 L209S143-V147 PolarHBondContact O-N 2.83Å; L144-V147 PolarHBondContact O-N 2.98Å; N145-V147 VanDerWaalsContact C-N 3.25Å; N145-V147 PolarHBondContact O-N 2.86Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.93Å; V147-A150 PolarHBondContact O-N 2.8Å; V147-E151 WeakPolarHBondContact O-CB 3.38Å; V147-E151 PolarHBondContact O-N 2.87Å; V147-C202 HydrophobicContact CG1-CB 4Å; V147-C202 WeakPolarHBondContact CG1-O 3.31Å; V147-I205 HydrophobicContact CG2-CB 4.37Å; V147-I205 HydrophobicContact CG2-CG2 3.57Å; V147-R206 HydrophobicContact CG1-CB 4.32Å; V147-L209 HydrophobicContact CG2-CD1 3.91Å
148S80Confident82.7Confident3 Ų331.4 Ų31.42%0.02119%0.19CC..Hα-helixtrans-60.7-40.3176.4-65.10000112.5L144 N145 E151 G152 R206 E993L144-S148 PolarHBondContact O-N 3.08Å; L144-S148 PolarHBondContact O-OG 2.86Å; N145-S148 PolarHBondContact O-N 2.86Å; S148-E151 PolarHBondContact O-N 2.86Å; S148-G152 PolarHBondContact O-N 2.76Å; S148-R206 PolarHBondContact OG-NH1 3.04Å; S148-R206 PolarHBondContact OG-NH2 2.92Å; S148-E993 WeakPolarHBondContact CB-OE1 2.81Å; S148-E993 PolarHBondContact OG-OE1 3.41Å
149R81.8Confident82.4Confident78 Ų7829.3 Ų29.329%0.29417%0.171SC..Hα-helixtrans-65.9-44.8175.1-72.9178.266.6-148.3-6.4112N145 V147 E151 G152 L153 E175 L179 E997N145-R149 WeakPolarHBondContact O-CB 3.28Å; N145-R149 WeakPolarHBondContact O-CG 3.41Å; N145-R149 PolarHBondContact O-N 2.93Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.93Å; R149-E151 VanDerWaalsContact C-N 3.31Å; R149-E151 PolarHBondContact O-N 2.82Å; R149-G152 PolarHBondContact O-N 2.83Å; R149-L153 VanDerWaalsContact O-CG 3.31Å; R149-L153 WeakPolarHBondContact O-CG 3.4Å; R149-L153 PolarHBondContact O-N 2.94Å; R149-E175 IonicContact NH2-OE1 2.73Å; R149-L179 HydrophobicContact CB-CD1 3.84Å; R149-E997 HydrophobicContact CG-CG 4Å
150A88.7Confident82.3Confident0 Ų029.6 Ų29.60%017%0.171CC..Hα-helixtrans-60.7-41.3175.800000111.7D146 V147 L153 L154 V176 L179 L180D146-A150 VanDerWaalsContact O-CB 3.31Å; D146-A150 WeakPolarHBondContact O-CB 3.38Å; D146-A150 PolarHBondContact O-N 3.12Å; V147-A150 PolarHBondContact O-N 2.8Å; A150-L153 PolarHBondContact O-N 2.9Å; A150-L154 WeakPolarHBondContact O-CB 3.31Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.49Å; A150-L154 PolarHBondContact O-N 2.86Å; A150-V176 HydrophobicContact CB-CG1 4.38Å; A150-L179 HydrophobicContact CB-CD1 4.39Å; A150-L180 HydrophobicContact CB-CD1 3.55Å; A150-L180 HydrophobicContact CB-CG 3.87Å
151E85Confident82.6Confident25 Ų2526.4 Ų26.412%0.11715%0.146CC..Hα-helixtrans-61.4-48.2174.8-173.6178.7174.800111.9V147 S148 R149 L153 L154 L155 L199 R206V147-E151 WeakPolarHBondContact O-CB 3.38Å; V147-E151 PolarHBondContact O-N 2.87Å; S148-E151 PolarHBondContact O-N 2.86Å; R149-E151 VanDerWaalsContact C-N 3.31Å; R149-E151 PolarHBondContact O-N 2.82Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 2.88Å; E151-L154 WeakPolarHBondContact O-CB 3.21Å; E151-L154 PolarHBondContact O-N 2.87Å; E151-L154 VanDerWaalsContact O-N 3.16Å; E151-L155 WeakPolarHBondContact O-CG 3.46Å; E151-L155 PolarHBondContact O-N 2.77Å; E151-L199 HydrophobicContact CG-CD2 3.88Å; E151-R206 IonicContact OE2-CZ 3.93Å; E151-R206 IonicContact OE2-NE 3.26Å; E151-R206 IonicContact OE2-NH2 3.71Å; E151-R206 PolarHBondContact OE2-NH2 3.18Å
152G81.8Confident82.3Confident2 Ų229.3 Ų29.32%0.02114%0.143CC..Hα-helixtrans-58.4-42.6176.400000113S148 R149 L155 Q156S148-G152 PolarHBondContact O-N 2.76Å; R149-G152 PolarHBondContact O-N 2.83Å; G152-L155 PolarHBondContact O-N 3.33Å; G152-Q156 PolarHBondContact O-N 3.38Å
153L86.3Confident82.3Confident12 Ų1234.9 Ų34.96%0.06317%0.168CC..Hα-helixtrans-65.8-38.4175.5-69.9167.6000112.4R149 A150 E151 Q156 A157 L172 E175 V176 L179R149-L153 VanDerWaalsContact O-CG 3.31Å; R149-L153 WeakPolarHBondContact O-CG 3.4Å; R149-L153 PolarHBondContact O-N 2.94Å; A150-L153 PolarHBondContact O-N 2.9Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 2.88Å; L153-Q156 PolarHBondContact O-N 3.25Å; L153-A157 WeakPolarHBondContact O-CB 3.49Å; L153-A157 PolarHBondContact O-N 3.4Å; L153-L172 HydrophobicContact CD2-CD2 3.8Å; L153-E175 HydrophobicContact CD1-CB 3.89Å; L153-E175 HydrophobicContact CD1-CG 3.65Å; L153-V176 HydrophobicContact CB-CG2 3.53Å; L153-V176 HydrophobicContact CD1-CG2 4.16Å; L153-L179 HydrophobicContact CD1-CD1 3.75Å
154L85.9Confident82.3Confident1 Ų135.4 Ų35.41%0.00518%0.182CC..Hα-helixtrans-65.3-42.2176-75.7168.8000111.9A150 E151 Q156 A157 Q158 L173 V176 L195 K198 L199A150-L154 WeakPolarHBondContact O-CB 3.31Å; A150-L154 VanDerWaalsContact O-CG 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.49Å; A150-L154 PolarHBondContact O-N 2.86Å; E151-L154 WeakPolarHBondContact O-CB 3.21Å; E151-L154 PolarHBondContact O-N 2.87Å; E151-L154 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-A157 PolarHBondContact O-N 3.44Å; L154-Q158 PolarHBondContact O-N 3.35Å; L154-L173 HydrophobicContact CD2-CD1 4.05Å; L154-V176 HydrophobicContact CD1-CG1 4.43Å; L154-V176 HydrophobicContact CD2-CG1 4.16Å; L154-V176 HydrophobicContact CD2-CG2 4.19Å; L154-V176 HydrophobicContact CG-CG1 4.17Å; L154-V176 HydrophobicContact CG-CG2 4Å; L154-L195 HydrophobicContact CD2-CD2 3.84Å; L154-K198 HydrophobicContact CD1-CB 3.75Å; L154-K198 HydrophobicContact CD2-CB 3.83Å; L154-K198 HydrophobicContact CG-CB 4.48Å; L154-L199 HydrophobicContact CB-CD2 3.72Å; L154-L199 HydrophobicContact CB-CG 4.21Å; L154-L199 HydrophobicContact CD1-CD2 4.04Å; L154-L199 HydrophobicContact CD1-CG 4.33Å
155L82Confident82.7Confident17 Ų1737.4 Ų37.49%0.08919%0.192CC..Hα-helixtrans-61.7-43.6174.4-69.5173.1000110.9E151 G152 Q158 R159 L199 V307 A994E151-L155 WeakPolarHBondContact O-CG 3.46Å; E151-L155 PolarHBondContact O-N 2.77Å; G152-L155 PolarHBondContact O-N 3.33Å; L155-Q158 WeakPolarHBondContact O-CB 3.43Å; L155-Q158 PolarHBondContact O-N 2.85Å; L155-R159 WeakPolarHBondContact O-CG 3.37Å; L155-R159 PolarHBondContact O-N 3.47Å; L155-L199 HydrophobicContact CD2-CD1 4.17Å; L155-L199 HydrophobicContact CD2-CD2 4.31Å; L155-L199 HydrophobicContact CG-CD2 4.32Å; L155-V307 HydrophobicContact CD2-CG2 4.18Å; L155-A994 HydrophobicContact CD1-CB 4.32Å
156Q80.9Confident83.1Confident7 Ų738.6 Ų38.63%0.03320%0.195CC..Hα-helixtrans-64.8-43.3176.2-166.3-176.215.300112G152 L153 L154 Q158 R159 K160 L172G152-Q156 PolarHBondContact O-N 3.38Å; L153-Q156 PolarHBondContact O-N 3.25Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; Q156-Q158 PolarHBondContact O-N 3.36Å; Q156-R159 WeakPolarHBondContact O-CB 3.39Å; Q156-R159 PolarHBondContact O-N 2.96Å; Q156-R159 VanDerWaalsContact O-N 3.08Å; Q156-K160 WeakPolarHBondContact O-CG 3.47Å; Q156-K160 PolarHBondContact O-N 3.17Å; Q156-L172 HydrophobicContact CB-CD1 4Å; Q156-L172 HydrophobicContact CG-CD1 3.71Å; Q156-L172 VanDerWaalsContact OE1-CD2 3.3Å
157A84.8Confident83.1Confident0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-59.4-37.9175.600000111.4L153 L154 K160 L161 A169 L172 L195L153-A157 WeakPolarHBondContact O-CB 3.49Å; L153-A157 PolarHBondContact O-N 3.4Å; L154-A157 PolarHBondContact O-N 3.44Å; A157-K160 PolarHBondContact O-N 3.46Å; A157-L161 WeakPolarHBondContact O-CB 3.33Å; A157-L161 PolarHBondContact O-N 3.11Å; A157-A169 HydrophobicContact CB-CB 4.41Å; A157-A169 WeakPolarHBondContact O-CB 3.34Å; A157-L172 HydrophobicContact CB-CB 4.07Å; A157-L172 HydrophobicContact CB-CD1 4.26Å; A157-L195 HydrophobicContact CB-CD1 4.44Å; A157-L195 HydrophobicContact CB-CD2 4.26Å
158Q81.1Confident82.9Confident24 Ų2446.2 Ų46.211%0.11223%0.234CC..Hα-helixtrans-64.9-40.9174.3-167.6-178.751.600112.1L154 L155 Q156 L161 K162 L195L154-Q158 PolarHBondContact O-N 3.35Å; L155-Q158 WeakPolarHBondContact O-CB 3.43Å; L155-Q158 PolarHBondContact O-N 2.85Å; Q156-Q158 PolarHBondContact O-N 3.36Å; Q158-L161 PolarHBondContact O-N 3.42Å; Q158-K162 PolarHBondContact O-N 3.43Å; Q158-K162 VanDerWaalsContact O-N 3.16Å; Q158-L195 HydrophobicContact CB-CD1 3.99Å; Q158-L195 HydrophobicContact CG-CD1 4.45Å
159R78.6Confident83.2Confident41 Ų4146 Ų4616%0.15523%0.233CC..Hα-helixtrans-60.5-49.7173.7-67.1-164.3-72.7-130.98.8111.2L155 Q156 L161 K162 E163 E995 E1002L155-R159 WeakPolarHBondContact O-CG 3.37Å; L155-R159 PolarHBondContact O-N 3.47Å; Q156-R159 WeakPolarHBondContact O-CB 3.39Å; Q156-R159 PolarHBondContact O-N 2.96Å; Q156-R159 VanDerWaalsContact O-N 3.08Å; R159-L161 VanDerWaalsContact C-N 3.34Å; R159-L161 PolarHBondContact O-N 2.85Å; R159-K162 WeakPolarHBondContact O-CB 3.36Å; R159-K162 PolarHBondContact O-N 2.86Å; R159-K162 VanDerWaalsContact O-N 3.11Å; R159-E163 WeakPolarHBondContact O-CG 3.4Å; R159-E163 PolarHBondContact O-N 2.82Å; R159-E995 IonicContact CZ-OE2 3.95Å; R159-E995 IonicContact NH1-OE1 2.64Å; R159-E995 IonicContact NH1-OE2 3.07Å; R159-E995 PolarHBondContact NH1-OE2 2.76Å; R159-E995 IonicContact NH2-OE2 2.69Å; R159-E1002 IonicContact CZ-OE1 2.81Å; R159-E1002 IonicContact NE-OE1 2.82Å; R159-E1002 IonicContact NH2-OE1 3.3Å; R159-E1002 PolarHBondContact NH2-OE1 2.72Å
160K83.2Confident83.4Confident39 Ų3943.1 Ų43.117%0.1722%0.224CC..Hα-helixtrans-63.1-37.7179.7-65.4-55.4-173.1155.80113.2Q156 A157 K162 E163 G164 N165 E168 A169 L172Q156-K160 WeakPolarHBondContact O-CG 3.47Å; Q156-K160 PolarHBondContact O-N 3.17Å; A157-K160 PolarHBondContact O-N 3.46Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-K162 PolarHBondContact O-N 2.87Å; K160-E163 WeakPolarHBondContact CD-OE2 3.3Å; K160-E163 IonicContact NZ-OE2 2.68Å; K160-E163 PolarHBondContact O-N 2.92Å; K160-G164 PolarHBondContact O-N 3.04Å; K160-N165 PolarHBondContact O-N 3.47Å; K160-E168 HydrophobicContact CD-CG 4.43Å; K160-E168 VanDerWaalsContact CD-OE2 3.25Å; K160-E168 WeakPolarHBondContact CD-OE2 3.42Å; K160-E168 VanDerWaalsContact CE-OE1 3.26Å; K160-E168 WeakPolarHBondContact CE-OE1 3.3Å; K160-E168 WeakPolarHBondContact CE-OE2 3.34Å; K160-E168 HydrophobicContact CG-CB 4.47Å; K160-E168 HydrophobicContact CG-CG 4.25Å; K160-E168 VanDerWaalsContact NZ-CD 3.3Å; K160-E168 IonicContact NZ-OE1 2.91Å; K160-E168 PolarHBondContact NZ-OE1 3.03Å; K160-E168 VanDerWaalsContact NZ-OE1 3.14Å; K160-E168 IonicContact NZ-OE2 3.53Å; K160-E168 PolarHBondContact NZ-OE2 3.21Å; K160-A169 HydrophobicContact CB-CB 4.1Å; K160-L172 HydrophobicContact CG-CD1 4.1Å
161L83.7Confident83.3Confident36 Ų3646.7 Ų46.719%0.18825%0.249CC..Hα-helixtrans-62.6-39.2174.2-169.367.8000111.6A157 Q158 R159 G164 E166 A169 P190 L195A157-L161 WeakPolarHBondContact O-CB 3.33Å; A157-L161 PolarHBondContact O-N 3.11Å; Q158-L161 PolarHBondContact O-N 3.42Å; R159-L161 VanDerWaalsContact C-N 3.34Å; R159-L161 PolarHBondContact O-N 2.85Å; L161-G164 PolarHBondContact O-N 2.94Å; L161-E166 HydrophobicContact CD1-CG 4.04Å; L161-A169 HydrophobicContact CB-CB 4.34Å; L161-P190 WeakPolarHBondContact CD1-O 3.36Å; L161-P190 WeakPolarHBondContact CD2-O 3.49Å; L161-L195 HydrophobicContact CD2-CD1 4.03Å
162K75.3Confident83.4Confident119 Ų11946.4 Ų46.452%0.51725%0.248SC..Hα-helixtrans-67.7-34.8175.5-174.2-178.9175.2-172.50112.5Q158 R159 K160 G164 H310 G311 I312Q158-K162 PolarHBondContact O-N 3.43Å; Q158-K162 VanDerWaalsContact O-N 3.16Å; R159-K162 WeakPolarHBondContact O-CB 3.36Å; R159-K162 PolarHBondContact O-N 2.86Å; R159-K162 VanDerWaalsContact O-N 3.11Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-K162 PolarHBondContact O-N 2.87Å; K162-G164 PolarHBondContact O-N 2.72Å; K162-H310 PolarHBondContact NZ-O 3.13Å; K162-H310 VanDerWaalsContact NZ-O 3.17Å; K162-G311 PolarHBondContact NZ-O 2.84Å; K162-I312 HydrophobicContact CD-CB 4.44Å; K162-I312 HydrophobicContact CD-CD1 3.74Å; K162-I312 HydrophobicContact CD-CG1 3.71Å; K162-I312 HydrophobicContact CD-CG2 4.17Å
163E83.9Confident83.7Confident135 Ų13546.3 Ų46.363%0.63125%0.247SC*.THydrogen-bonded Turntrans-72.5-6.6175.3-68.6172.3-179.300113.2R159 K160R159-E163 WeakPolarHBondContact O-CG 3.4Å; R159-E163 PolarHBondContact O-N 2.82Å; K160-E163 WeakPolarHBondContact CD-OE2 3.3Å; K160-E163 IonicContact NZ-OE2 2.68Å; K160-E163 PolarHBondContact O-N 2.92Å
164G82.7Confident83.8Confident61 Ų6149.6 Ų49.663%0.62927%0.265SS*.THydrogen-bonded Turntrans82.514.9-177.800000114K160 L161 K162 E166K160-G164 PolarHBondContact O-N 3.04Å; L161-G164 PolarHBondContact O-N 2.94Å; K162-G164 PolarHBondContact O-N 2.72Å; G164-E166 PolarHBondContact O-N 2.81Å
165N84.8Confident83.8Confident64 Ų6453.4 Ų53.434%0.34228%0.283SS..  trans-99.474-179.9-158.6-1.7000111.7K160 D167 E168 A169K160-N165 PolarHBondContact O-N 3.47Å; N165-D167 VanDerWaalsContact C-N 3.33Å; N165-D167 PolarHBondContact O-N 3.14Å; N165-E168 HydrophobicContact CB-CB 4.38Å; N165-E168 PolarHBondContact ND2-OE2 3.41Å; N165-E168 PolarHBondContact O-N 3.39Å; N165-A169 PolarHBondContact O-N 3.42Å; N165-A169 VanDerWaalsContact O-N 3.15Å
166E83.7Confident84.2Confident105 Ų10552.7 Ų52.749%0.49128%0.279SS..Hα-helixtrans-64.9-31.9-175.7-65.7-167.9-164.600113.8L161 G164 S170 S189L161-E166 HydrophobicContact CD1-CG 4.04Å; G164-E166 PolarHBondContact O-N 2.81Å; E166-S170 VanDerWaalsContact O-CB 3.3Å; E166-S170 WeakPolarHBondContact O-CB 3.46Å; E166-S170 PolarHBondContact O-N 3.19Å; E166-S170 PolarHBondContact O-OG 3.41Å; E166-S170 VanDerWaalsContact O-OG 3.05Å; E166-S189 PolarHBondContact OE2-OG 3.39Å
167D84.1Confident84.7Confident134 Ų13454 Ų5472%0.71729%0.285SS*.Hα-helixtrans-68-42.4-179.9-70-30.8000111.3N165 S170 S171N165-D167 VanDerWaalsContact C-N 3.33Å; N165-D167 PolarHBondContact O-N 3.14Å; D167-S170 WeakPolarHBondContact O-CB 3.21Å; D167-S170 PolarHBondContact O-N 3.23Å; D167-S171 PolarHBondContact O-N 2.87Å
168E83.6Confident84.9Confident67 Ų6759.3 Ų59.331%0.31332%0.317SS..Hα-helixtrans-70.2-41.8177.5-163.3178-175.600111K160 N165 S170 S171 L172K160-E168 HydrophobicContact CD-CG 4.43Å; K160-E168 VanDerWaalsContact CD-OE2 3.25Å; K160-E168 WeakPolarHBondContact CD-OE2 3.42Å; K160-E168 VanDerWaalsContact CE-OE1 3.26Å; K160-E168 WeakPolarHBondContact CE-OE1 3.3Å; K160-E168 WeakPolarHBondContact CE-OE2 3.34Å; K160-E168 HydrophobicContact CG-CB 4.47Å; K160-E168 HydrophobicContact CG-CG 4.25Å; K160-E168 VanDerWaalsContact NZ-CD 3.3Å; K160-E168 IonicContact NZ-OE1 2.91Å; K160-E168 PolarHBondContact NZ-OE1 3.03Å; K160-E168 VanDerWaalsContact NZ-OE1 3.14Å; K160-E168 IonicContact NZ-OE2 3.53Å; K160-E168 PolarHBondContact NZ-OE2 3.21Å; N165-E168 HydrophobicContact CB-CB 4.38Å; N165-E168 PolarHBondContact ND2-OE2 3.41Å; N165-E168 PolarHBondContact O-N 3.39Å; E168-S170 VanDerWaalsContact C-N 3.25Å; E168-S170 PolarHBondContact O-N 2.9Å; E168-S171 PolarHBondContact O-N 2.8Å; E168-S171 VanDerWaalsContact O-N 3.14Å; E168-L172 WeakPolarHBondContact O-CG 3.45Å; E168-L172 PolarHBondContact O-N 3.49Å
169A84.6Confident85.3Confident0 Ų059.4 Ų59.40%032%0.318CS..Hα-helixtrans-59.3-38.2172.900000111.9A157 K160 L161 N165 L173 P190A157-A169 HydrophobicContact CB-CB 4.41Å; A157-A169 WeakPolarHBondContact O-CB 3.34Å; K160-A169 HydrophobicContact CB-CB 4.1Å; L161-A169 HydrophobicContact CB-CB 4.34Å; N165-A169 PolarHBondContact O-N 3.42Å; N165-A169 VanDerWaalsContact O-N 3.15Å; A169-L173 PolarHBondContact O-N 2.86Å; A169-P190 HydrophobicContact CB-CG 4.26Å
170S86.3Confident86Confident16 Ų1657.5 Ų57.511%0.11231%0.311CS..Hα-helixtrans-64.5-47.5172.1-75.70000111.9E166 D167 E168 L172 L173 D174 R186E166-S170 VanDerWaalsContact O-CB 3.3Å; E166-S170 WeakPolarHBondContact O-CB 3.46Å; E166-S170 PolarHBondContact O-N 3.19Å; E166-S170 PolarHBondContact O-OG 3.41Å; E166-S170 VanDerWaalsContact O-OG 3.05Å; D167-S170 WeakPolarHBondContact O-CB 3.21Å; D167-S170 PolarHBondContact O-N 3.23Å; E168-S170 VanDerWaalsContact C-N 3.25Å; E168-S170 PolarHBondContact O-N 2.9Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 2.91Å; S170-L173 WeakPolarHBondContact O-CB 3.41Å; S170-L173 PolarHBondContact O-N 2.81Å; S170-L173 VanDerWaalsContact O-N 3.09Å; S170-D174 PolarHBondContact O-N 2.77Å; S170-R186 VanDerWaalsContact CB-NH2 3.32Å; S170-R186 PolarHBondContact O-NH1 2.92Å; S170-R186 PolarHBondContact OG-NH2 3.3Å; S170-R186 VanDerWaalsContact OG-NH2 3.09Å
171S86.7Confident86.3Confident76 Ų7657.3 Ų57.353%0.53131%0.314SS..Hα-helixtrans-60.3-38.6179.2-174.40000112.5D167 E168 L173 D174D167-S171 PolarHBondContact O-N 2.87Å; E168-S171 PolarHBondContact O-N 2.8Å; E168-S171 VanDerWaalsContact O-N 3.14Å; S171-L173 VanDerWaalsContact C-N 3.3Å; S171-L173 PolarHBondContact O-N 2.92Å; S171-D174 WeakPolarHBondContact O-CB 3.31Å; S171-D174 PolarHBondContact O-N 3.26Å
172L86.5Confident86.7Confident18 Ų1856.6 Ų56.69%0.09431%0.31CS..Hα-helixtrans-64.7-37.2176.2-69.1168.3000111.5L153 Q156 A157 K160 E168 S170 D174 E175 V176L153-L172 HydrophobicContact CD2-CD2 3.8Å; Q156-L172 HydrophobicContact CB-CD1 4Å; Q156-L172 HydrophobicContact CG-CD1 3.71Å; Q156-L172 VanDerWaalsContact OE1-CD2 3.3Å; A157-L172 HydrophobicContact CB-CB 4.07Å; A157-L172 HydrophobicContact CB-CD1 4.26Å; K160-L172 HydrophobicContact CG-CD1 4.1Å; E168-L172 WeakPolarHBondContact O-CG 3.45Å; E168-L172 PolarHBondContact O-N 3.49Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 2.91Å; L172-D174 VanDerWaalsContact C-N 3.26Å; L172-D174 PolarHBondContact O-N 2.89Å; L172-E175 PolarHBondContact O-N 2.91Å; L172-V176 PolarHBondContact O-N 2.88Å; L172-V176 VanDerWaalsContact O-N 3.14Å
173L89.1Confident87.3Confident0 Ų058.3 Ų58.30%031%0.313CS..Hα-helixtrans-65.3-29.7176.5-165.768.1000112.6L154 A169 S170 S171 E175 V176 F177 R186 P187 P190 F194 L195L154-L173 HydrophobicContact CD2-CD1 4.05Å; A169-L173 PolarHBondContact O-N 2.86Å; S170-L173 WeakPolarHBondContact O-CB 3.41Å; S170-L173 PolarHBondContact O-N 2.81Å; S170-L173 VanDerWaalsContact O-N 3.09Å; S171-L173 VanDerWaalsContact C-N 3.3Å; S171-L173 PolarHBondContact O-N 2.92Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 2.92Å; L173-V176 HydrophobicContact CD1-CB 4.36Å; L173-V176 WeakPolarHBondContact O-CB 3.4Å; L173-V176 PolarHBondContact O-N 2.92Å; L173-F177 HydrophobicContact CD1-CD2 4.08Å; L173-F177 HydrophobicContact CD1-CE2 3.81Å; L173-F177 HydrophobicContact CD2-CE2 4.15Å; L173-F177 HydrophobicContact CG-CD2 3.87Å; L173-F177 HydrophobicContact CG-CE2 3.79Å; L173-F177 VanDerWaalsContact O-CD2 3.29Å; L173-F177 WeakPolarHBondContact O-CD2 3.03Å; L173-F177 PolarHBondContact O-N 3Å; L173-R186 HydrophobicContact CD2-CG 3.69Å; L173-R186 HydrophobicContact CG-CG 4.26Å; L173-P187 HydrophobicContact CD2-CG 4.47Å; L173-P190 HydrophobicContact CD2-CB 4.16Å; L173-F194 HydrophobicContact CD1-CE1 4.11Å; L173-F194 HydrophobicContact CD2-CE1 3.85Å; L173-L195 HydrophobicContact CD1-CD2 4.26Å
174D87.4Confident87.3Confident82 Ų8258.9 Ų58.944%0.43932%0.316SS..Hα-helixtrans-65.1-37.8175.4-65.6-28000111.6S170 S171 L172 F177 T178 R186S170-D174 PolarHBondContact O-N 2.77Å; S171-D174 WeakPolarHBondContact O-CB 3.31Å; S171-D174 PolarHBondContact O-N 3.26Å; L172-D174 VanDerWaalsContact C-N 3.26Å; L172-D174 PolarHBondContact O-N 2.89Å; D174-F177 PolarHBondContact O-N 3.25Å; D174-T178 PolarHBondContact O-N 3.21Å; D174-T178 VanDerWaalsContact O-N 3.07Å; D174-T178 PolarHBondContact O-OG1 2.82Å; D174-R186 VanDerWaalsContact OD1-CD 3.32Å; D174-R186 WeakPolarHBondContact OD1-CD 3.33Å; D174-R186 IonicContact OD1-CZ 3.13Å; D174-R186 IonicContact OD1-NE 3.83Å; D174-R186 IonicContact OD1-NH1 2.89Å; D174-R186 PolarHBondContact OD1-NH1 3.49Å; D174-R186 IonicContact OD2-NH1 2.64Å
175E87.8Confident87Confident80 Ų8061.8 Ų61.837%0.37432%0.323SS..Hα-helixtrans-68.1-40.1174.4-166.6170.7176.700111R149 L153 L172 L173 F177 T178 L179R149-E175 IonicContact NH2-OE1 2.73Å; L153-E175 HydrophobicContact CD1-CB 3.89Å; L153-E175 HydrophobicContact CD1-CG 3.65Å; L172-E175 PolarHBondContact O-N 2.91Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 2.92Å; E175-F177 PolarHBondContact O-N 3.29Å; E175-T178 WeakPolarHBondContact O-CB 3.34Å; E175-T178 PolarHBondContact O-N 2.75Å; E175-T178 VanDerWaalsContact O-N 3.1Å; E175-L179 WeakPolarHBondContact O-CG 3.32Å; E175-L179 PolarHBondContact O-N 2.81Å
176V90.2Very high86.7Confident2 Ų261.9 Ų61.91%0.01232%0.319CS..Hα-helixtrans-57.8-45.9173.6174.60000111.7A150 L153 L154 L172 L173 T178 L179 L180A150-V176 HydrophobicContact CB-CG1 4.38Å; L153-V176 HydrophobicContact CB-CG2 3.53Å; L153-V176 HydrophobicContact CD1-CG2 4.16Å; L154-V176 HydrophobicContact CD1-CG1 4.43Å; L154-V176 HydrophobicContact CD2-CG1 4.16Å; L154-V176 HydrophobicContact CD2-CG2 4.19Å; L154-V176 HydrophobicContact CG-CG1 4.17Å; L154-V176 HydrophobicContact CG-CG2 4Å; L172-V176 PolarHBondContact O-N 2.88Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L173-V176 HydrophobicContact CD1-CB 4.36Å; L173-V176 WeakPolarHBondContact O-CB 3.4Å; L173-V176 PolarHBondContact O-N 2.92Å; V176-T178 PolarHBondContact O-N 2.87Å; V176-L179 PolarHBondContact O-N 2.68Å; V176-L180 PolarHBondContact O-N 2.9Å
177F91Very high86.5Confident35 Ų3558.9 Ų58.915%0.15431%0.308CS..Hα-helixtrans-72.3-17.8179.4-86.3-113000113.2L173 D174 E175 L180 P181 H182 R186 F194L173-F177 HydrophobicContact CD1-CD2 4.08Å; L173-F177 HydrophobicContact CD1-CE2 3.81Å; L173-F177 HydrophobicContact CD2-CE2 4.15Å; L173-F177 HydrophobicContact CG-CD2 3.87Å; L173-F177 HydrophobicContact CG-CE2 3.79Å; L173-F177 VanDerWaalsContact O-CD2 3.29Å; L173-F177 WeakPolarHBondContact O-CD2 3.03Å; L173-F177 PolarHBondContact O-N 3Å; D174-F177 PolarHBondContact O-N 3.25Å; E175-F177 PolarHBondContact O-N 3.29Å; F177-L180 CarbonylContact O-C 3.58Å; F177-P181 WeakPolarHBondContact O-CA 3.45Å; F177-H182 HydrophobicContact CD1-CB 3.97Å; F177-H182 AromaticContact CD1-ND1 3.99Å; F177-H182 HydrophobicContact CE1-CB 3.69Å; F177-H182 AromaticContact CE1-CG 3.8Å; F177-H182 AromaticContact CE1-ND1 3.94Å; F177-R186 HydrophobicContact CD1-CB 4.37Å; F177-R186 HydrophobicContact CD2-CG 4.28Å; F177-R186 HydrophobicContact CE1-CB 4.14Å; F177-R186 HydrophobicContact CE1-CG 4.29Å; F177-R186 HydrophobicContact CE2-CG 4.07Å; F177-R186 HydrophobicContact CG-CG 4.49Å; F177-R186 HydrophobicContact CZ-CB 4.36Å; F177-R186 HydrophobicContact CZ-CG 4.07Å; F177-F194 HydrophobicContact CE2-CZ 4.21Å; F177-F194 HydrophobicContact CZ-CZ 4Å
178T89.7Confident85.9Confident111 Ų11161.3 Ų61.368%0.68132%0.316SS*.Hα-helixtrans-77.3-41.7170.8-56.70000110.8D174 E175 V176D174-T178 PolarHBondContact O-N 3.21Å; D174-T178 VanDerWaalsContact O-N 3.07Å; D174-T178 PolarHBondContact O-OG1 2.82Å; E175-T178 WeakPolarHBondContact O-CB 3.34Å; E175-T178 PolarHBondContact O-N 2.75Å; E175-T178 VanDerWaalsContact O-N 3.1Å; V176-T178 PolarHBondContact O-N 2.87Å
179L89.4Confident85.5Confident26 Ų2660.6 Ų60.614%0.13632%0.318CS..Hα-helixtrans-72.2-41.5177.1-67.5173.9000112.6R149 A150 L153 E175 V176 P181R149-L179 HydrophobicContact CB-CD1 3.84Å; A150-L179 HydrophobicContact CB-CD1 4.39Å; L153-L179 HydrophobicContact CD1-CD1 3.75Å; E175-L179 WeakPolarHBondContact O-CG 3.32Å; E175-L179 PolarHBondContact O-N 2.81Å; V176-L179 PolarHBondContact O-N 2.68Å; L179-P181 WeakPolarHBondContact O-CD 3.37Å
180L91.6Very high85.4Confident2 Ų260.7 Ų60.71%0.0132%0.319CS..SBendtrans-118.286.1178.6-58.6-179.5000109.2L142 A150 V176 F177 H182 I205L142-L180 HydrophobicContact CD1-CD2 4Å; L142-L180 HydrophobicContact CD2-CD2 4.11Å; A150-L180 HydrophobicContact CB-CD1 3.55Å; A150-L180 HydrophobicContact CB-CG 3.87Å; V176-L180 PolarHBondContact O-N 2.9Å; F177-L180 CarbonylContact O-C 3.58Å; L180-H182 PolarHBondContact O-CE1 3.34Å; L180-H182 PolarHBondContact O-N 2.8Å; L180-H182 VanDerWaalsContact O-N 3.14Å; L180-H182 PolarHBondContact O-ND1 3.1Å; L180-I205 HydrophobicContact CD1-CD1 4.17Å; L180-I205 HydrophobicContact CD2-CD1 4.37Å
181P90.2Very high85.3Confident34 Ų3463.9 Ų63.922%0.22134%0.338CS..  trans-63.1114.9-179-25.435.6000112L135 R136 V137 F177 L179L135-P181 WeakPolarHBondContact CA-O 3.15Å; R136-P181 HydrophobicContact CB-CB 4.09Å; R136-P181 PolarHBondContact N-O 2.82Å; V137-P181 HydrophobicContact CG1-CB 4.32Å; V137-P181 HydrophobicContact CG1-CG 4.08Å; V137-P181 HydrophobicContact CG2-CB 4.49Å; V137-P181 HydrophobicContact CG2-CG 4.18Å; F177-P181 WeakPolarHBondContact O-CA 3.45Å; L179-P181 WeakPolarHBondContact O-CD 3.37Å
182H91.5Very high84.7Confident21 Ų2162.3 Ų62.310%0.09733%0.329CS..BIsolated β-bridgetrans-92.5155.2177.8-73.370.8000112.3I134 F177 L180 K198 L201I134-H182 WeakPolarHBondContact O-CA 3.36Å; F177-H182 HydrophobicContact CD1-CB 3.97Å; F177-H182 AromaticContact CD1-ND1 3.99Å; F177-H182 HydrophobicContact CE1-CB 3.69Å; F177-H182 AromaticContact CE1-CG 3.8Å; F177-H182 AromaticContact CE1-ND1 3.94Å; L180-H182 PolarHBondContact O-CE1 3.34Å; L180-H182 PolarHBondContact O-N 2.8Å; L180-H182 VanDerWaalsContact O-N 3.14Å; L180-H182 PolarHBondContact O-ND1 3.1Å; H182-K198 PolarHBondContact CD2-NZ 2.84Å; H182-K198 PolarHBondContact NE2-NZ 2.91Å; H182-L201 VanDerWaalsContact NE2-CD2 3.3Å; H182-L201 WeakPolarHBondContact NE2-CD2 3.38Å
183R89.5Confident84.3Confident155 Ų15569.9 Ų69.959%0.58536%0.356SS*.SBendtrans-77.7-39.8171.2-63.9-168.6-178.1-152.14.8112.6E132 N133 I134 L135 R136E132-R183 PolarHBondContact O-NE 3.29Å; E132-R183 PolarHBondContact O-NH2 2.93Å; N133-R183 WeakPolarHBondContact O-CD 3.49Å; I134-R183 PolarHBondContact O-N 2.99Å; L135-R183 WeakPolarHBondContact O-CG 3.44Å; L135-R183 PolarHBondContact O-NE 3.38Å; R136-R183 HydrophobicContact CB-CG 4.38Å
184E82.3Confident84.1Confident148 Ų14871.5 Ų71.569%0.69236%0.363SS*.SBendtrans-77.3143.9178.1-68.5-170.2160.700111.7
185P76.3Confident83.9Confident122 Ų12267.6 Ų67.679%0.79234%0.343SS*.PPolyproline II helixtrans-67.5146.7176.928.6-33.5000111.3
186R79.1Confident83.5Confident66 Ų6664.3 Ų64.325%0.24933%0.328CS..PPolyproline II helixtrans-60.9140.7178-160.7-160.293.7142.513.1111.2S170 L173 D174 F177 Q188S170-R186 VanDerWaalsContact CB-NH2 3.32Å; S170-R186 PolarHBondContact O-NH1 2.92Å; S170-R186 PolarHBondContact OG-NH2 3.3Å; S170-R186 VanDerWaalsContact OG-NH2 3.09Å; L173-R186 HydrophobicContact CD2-CG 3.69Å; L173-R186 HydrophobicContact CG-CG 4.26Å; D174-R186 VanDerWaalsContact OD1-CD 3.32Å; D174-R186 WeakPolarHBondContact OD1-CD 3.33Å; D174-R186 IonicContact OD1-CZ 3.13Å; D174-R186 IonicContact OD1-NE 3.83Å; D174-R186 IonicContact OD1-NH1 2.89Å; D174-R186 PolarHBondContact OD1-NH1 3.49Å; D174-R186 IonicContact OD2-NH1 2.64Å; F177-R186 HydrophobicContact CD1-CB 4.37Å; F177-R186 HydrophobicContact CD2-CG 4.28Å; F177-R186 HydrophobicContact CE1-CB 4.14Å; F177-R186 HydrophobicContact CE1-CG 4.29Å; F177-R186 HydrophobicContact CE2-CG 4.07Å; F177-R186 HydrophobicContact CG-CG 4.49Å; F177-R186 HydrophobicContact CZ-CB 4.36Å; F177-R186 HydrophobicContact CZ-CG 4.07Å; R186-Q188 PolarHBondContact NH2-O 3.03Å
187P80Confident83.1Confident41 Ų4169 Ų6927%0.26635%0.35SS..PPolyproline II helixtrans-64.7151.516726.7-34.2000111.7L173 F194L173-P187 HydrophobicContact CD2-CG 4.47Å; P187-F194 HydrophobicContact CG-CD1 4.13Å; P187-F194 HydrophobicContact CG-CD2 4.25Å; P187-F194 HydrophobicContact CG-CE1 3.79Å; P187-F194 HydrophobicContact CG-CE2 3.9Å; P187-F194 HydrophobicContact CG-CG 4.34Å; P187-F194 HydrophobicContact CG-CZ 3.65Å
188Q70.8Confident82.9Confident186 Ų18668.6 Ų68.687%0.86935%0.348SS*.SBendtrans-67.9-40.6177.4-74.6-1783.400112.2R186R186-Q188 PolarHBondContact NH2-O 3.03Å
189S76.4Confident82.7Confident52 Ų5263.9 Ų63.936%0.36432%0.319SS..SBendtrans-127.3127172.6177.20000109.9E166E166-S189 PolarHBondContact OE2-OG 3.39Å
190P82.4Confident82.4Confident2 Ų266.7 Ų66.71%0.01333%0.334CS..  trans-74131.9179.227-30.1000111.7L161 A169 L173 F194 L195L161-P190 WeakPolarHBondContact CD1-O 3.36Å; L161-P190 WeakPolarHBondContact CD2-O 3.49Å; A169-P190 HydrophobicContact CB-CG 4.26Å; L173-P190 HydrophobicContact CD2-CB 4.16Å; P190-F194 HydrophobicContact CB-CD1 4.42Å; P190-L195 HydrophobicContact CB-CD2 4.13Å; P190-L195 HydrophobicContact CB-CG 4.28Å
191T82.6Confident82.2Confident83 Ų8367.2 Ų67.251%0.50934%0.337SS..  trans-93.1155.2170.664.40000110.9R193 F194 L195T191-R193 PolarHBondContact O-N 2.88Å; T191-F194 WeakPolarHBondContact O-CB 3.35Å; T191-F194 PolarHBondContact O-N 2.82Å; T191-F194 WeakPolarHBondContact OG1-CB 3.43Å; T191-F194 PolarHBondContact OG1-N 2.97Å; T191-L195 PolarHBondContact O-N 3.38Å
192A75.5Confident82.2Confident42 Ų4265.7 Ų65.735%0.34733%0.327SS..Hα-helixtrans-55.7-38.4174.900000112.5L195 S196A192-L195 PolarHBondContact O-N 3.46Å; A192-S196 PolarHBondContact O-N 3.25Å
193R78Confident81.9Confident177 Ų17766 Ų6667%0.66833%0.328SS*.Hα-helixtrans-62.1-43.5174.8-176.2179.1-178.7171.52.6112.1T191 S196 Q197T191-R193 PolarHBondContact O-N 2.88Å; R193-S196 PolarHBondContact O-N 3.18Å; R193-Q197 WeakPolarHBondContact O-CG 3.3Å; R193-Q197 PolarHBondContact O-N 2.9Å; R193-Q197 VanDerWaalsContact O-N 3.08Å
194F84.3Confident81.9Confident35 Ų3559 Ų5915%0.15430%0.302CS..Hα-helixtrans-64.3-44.7177.8174.7-94.5000111.5L173 F177 P187 P190 T191 S196 Q197 K198L173-F194 HydrophobicContact CD1-CE1 4.11Å; L173-F194 HydrophobicContact CD2-CE1 3.85Å; F177-F194 HydrophobicContact CE2-CZ 4.21Å; F177-F194 HydrophobicContact CZ-CZ 4Å; P187-F194 HydrophobicContact CG-CD1 4.13Å; P187-F194 HydrophobicContact CG-CD2 4.25Å; P187-F194 HydrophobicContact CG-CE1 3.79Å; P187-F194 HydrophobicContact CG-CE2 3.9Å; P187-F194 HydrophobicContact CG-CG 4.34Å; P187-F194 HydrophobicContact CG-CZ 3.65Å; P190-F194 HydrophobicContact CB-CD1 4.42Å; T191-F194 WeakPolarHBondContact O-CB 3.35Å; T191-F194 PolarHBondContact O-N 2.82Å; T191-F194 WeakPolarHBondContact OG1-CB 3.43Å; T191-F194 PolarHBondContact OG1-N 2.97Å; F194-S196 VanDerWaalsContact C-N 3.32Å; F194-S196 PolarHBondContact O-N 2.87Å; F194-Q197 WeakPolarHBondContact O-CB 3.4Å; F194-Q197 PolarHBondContact O-N 3Å; F194-K198 HydrophobicContact CD1-CG 4.36Å; F194-K198 HydrophobicContact CE1-CG 3.94Å; F194-K198 VanDerWaalsContact CE2-CE 3.46Å; F194-K198 HydrophobicContact CE2-CG 4.48Å; F194-K198 HydrophobicContact CZ-CD 4.29Å; F194-K198 HydrophobicContact CZ-CG 4.02Å; F194-K198 WeakPolarHBondContact O-CG 3.43Å; F194-K198 PolarHBondContact O-N 2.96Å; F194-K198 VanDerWaalsContact O-N 3.08Å
195L83.4Confident82.3Confident0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-60.6-41.9176.9-65.7175.7000111.7L154 A157 Q158 L161 L173 P190 T191 A192 Q197 K198 L199L154-L195 HydrophobicContact CD2-CD2 3.84Å; A157-L195 HydrophobicContact CB-CD1 4.44Å; A157-L195 HydrophobicContact CB-CD2 4.26Å; Q158-L195 HydrophobicContact CB-CD1 3.99Å; Q158-L195 HydrophobicContact CG-CD1 4.45Å; L161-L195 HydrophobicContact CD2-CD1 4.03Å; L173-L195 HydrophobicContact CD1-CD2 4.26Å; P190-L195 HydrophobicContact CB-CD2 4.13Å; P190-L195 HydrophobicContact CB-CG 4.28Å; T191-L195 PolarHBondContact O-N 3.38Å; A192-L195 PolarHBondContact O-N 3.46Å; L195-Q197 PolarHBondContact O-N 3.42Å; L195-K198 PolarHBondContact O-N 2.94Å; L195-K198 VanDerWaalsContact O-N 3.12Å; L195-L199 PolarHBondContact O-N 2.9Å
196S78.9Confident82.8Confident10 Ų1048.3 Ų48.37%0.0724%0.24CC..Hα-helixtrans-60.3-44.8175.2-160.30000112.2A192 R193 F194 K198 L199 D200 D316A192-S196 PolarHBondContact O-N 3.25Å; R193-S196 PolarHBondContact O-N 3.18Å; F194-S196 VanDerWaalsContact C-N 3.32Å; F194-S196 PolarHBondContact O-N 2.87Å; S196-K198 PolarHBondContact O-N 2.86Å; S196-L199 WeakPolarHBondContact O-CB 3.25Å; S196-L199 PolarHBondContact O-N 2.89Å; S196-L199 VanDerWaalsContact O-N 3.12Å; S196-D200 PolarHBondContact O-N 2.86Å; S196-D316 PolarHBondContact OG-OD2 2.8Å
197Q82Confident83.1Confident100 Ų10045.3 Ų45.347%0.46723%0.229SC..Hα-helixtrans-60.9-31.4175.8-71.8172.8-20.800112.7R193 F194 L195 L201R193-Q197 WeakPolarHBondContact O-CG 3.3Å; R193-Q197 PolarHBondContact O-N 2.9Å; R193-Q197 VanDerWaalsContact O-N 3.08Å; F194-Q197 WeakPolarHBondContact O-CB 3.4Å; F194-Q197 PolarHBondContact O-N 3Å; L195-Q197 PolarHBondContact O-N 3.42Å; Q197-L201 WeakPolarHBondContact O-CB 3.48Å; Q197-L201 PolarHBondContact O-N 2.87Å; Q197-L201 VanDerWaalsContact O-N 3.1Å
198K87.4Confident83.5Confident27 Ų2743.6 Ų43.612%0.11722%0.217CC..Hα-helixtrans-76.7-31.6175.8-64.4-55.4-179.8-174.90112.9L154 H182 F194 L195 S196 L201 C202L154-K198 HydrophobicContact CD1-CB 3.75Å; L154-K198 HydrophobicContact CD2-CB 3.83Å; L154-K198 HydrophobicContact CG-CB 4.48Å; H182-K198 PolarHBondContact CD2-NZ 2.84Å; H182-K198 PolarHBondContact NE2-NZ 2.91Å; F194-K198 HydrophobicContact CD1-CG 4.36Å; F194-K198 HydrophobicContact CE1-CG 3.94Å; F194-K198 VanDerWaalsContact CE2-CE 3.46Å; F194-K198 HydrophobicContact CE2-CG 4.48Å; F194-K198 HydrophobicContact CZ-CD 4.29Å; F194-K198 HydrophobicContact CZ-CG 4.02Å; F194-K198 WeakPolarHBondContact O-CG 3.43Å; F194-K198 PolarHBondContact O-N 2.96Å; F194-K198 VanDerWaalsContact O-N 3.08Å; L195-K198 PolarHBondContact O-N 2.94Å; L195-K198 VanDerWaalsContact O-N 3.12Å; S196-K198 PolarHBondContact O-N 2.86Å; K198-L201 HydrophobicContact CD-CD2 4.19Å; K198-L201 WeakPolarHBondContact O-CB 3.07Å; K198-L201 PolarHBondContact O-N 2.85Å; K198-C202 PolarHBondContact O-N 2.91Å; K198-C202 PolarHBondContact O-SG 2.88Å
199L84.4Confident84.1Confident12 Ų1235.5 Ų35.56%0.06318%0.18CC..Hα-helixtrans-65.5-45.1170.1-69.7167.7000110.9E151 L154 L155 L195 S196 L201 C202 Q203E151-L199 HydrophobicContact CG-CD2 3.88Å; L154-L199 HydrophobicContact CB-CD2 3.72Å; L154-L199 HydrophobicContact CB-CG 4.21Å; L154-L199 HydrophobicContact CD1-CD2 4.04Å; L154-L199 HydrophobicContact CD1-CG 4.33Å; L155-L199 HydrophobicContact CD2-CD1 4.17Å; L155-L199 HydrophobicContact CD2-CD2 4.31Å; L155-L199 HydrophobicContact CG-CD2 4.32Å; L195-L199 PolarHBondContact O-N 2.9Å; S196-L199 WeakPolarHBondContact O-CB 3.25Å; S196-L199 PolarHBondContact O-N 2.89Å; S196-L199 VanDerWaalsContact O-N 3.12Å; L199-L201 PolarHBondContact O-N 3.01Å; L199-C202 WeakPolarHBondContact O-CB 3.34Å; L199-C202 PolarHBondContact O-N 2.82Å; L199-Q203 PolarHBondContact O-N 2.86Å
200D83.5Confident84.2Confident85 Ų8534.1 Ų34.146%0.45517%0.169SC..Hα-helixtrans-58.7-38.8174.5-64.4-24.8000111.7S196 Q203 L204S196-D200 PolarHBondContact O-N 2.86Å; D200-Q203 WeakPolarHBondContact O-CB 3.46Å; D200-Q203 PolarHBondContact O-N 3.38Å; D200-L204 PolarHBondContact O-N 2.89Å
201L88.7Confident84.1Confident14 Ų1434 Ų347%0.07317%0.168CC..Hα-helixtrans-64.2-42.9174177.664.8000111.9L131 I134 H182 Q197 K198 L199 Q203 L204 I205L131-L201 HydrophobicContact CD2-CD1 3.54Å; I134-L201 HydrophobicContact CD1-CD1 3.89Å; I134-L201 HydrophobicContact CG2-CD1 4.28Å; I134-L201 HydrophobicContact CG2-CD2 3.7Å; H182-L201 VanDerWaalsContact NE2-CD2 3.3Å; H182-L201 WeakPolarHBondContact NE2-CD2 3.38Å; Q197-L201 WeakPolarHBondContact O-CB 3.48Å; Q197-L201 PolarHBondContact O-N 2.87Å; Q197-L201 VanDerWaalsContact O-N 3.1Å; K198-L201 HydrophobicContact CD-CD2 4.19Å; K198-L201 WeakPolarHBondContact O-CB 3.07Å; K198-L201 PolarHBondContact O-N 2.85Å; L199-L201 PolarHBondContact O-N 3.01Å; L201-Q203 PolarHBondContact O-N 3.36Å; L201-L204 PolarHBondContact O-N 3.48Å; L201-I205 HydrophobicContact CD1-CD1 4.29Å; L201-I205 HydrophobicContact CD1-CG1 4.33Å; L201-I205 HydrophobicContact CG-CD1 3.97Å; L201-I205 HydrophobicContact CG-CG1 4.45Å; L201-I205 VanDerWaalsContact O-CG1 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 2.92Å; L201-I205 PolarHBondContact O-N 2.92Å
202C88.2Confident83.7Confident1 Ų130.6 Ų30.61%0.00715%0.149CC..Hα-helixtrans-59.2-40.3175.2-66.90000110.8V147 K198 L199 I205 R206V147-C202 HydrophobicContact CG1-CB 4Å; V147-C202 WeakPolarHBondContact CG1-O 3.31Å; K198-C202 PolarHBondContact O-N 2.91Å; K198-C202 PolarHBondContact O-SG 2.88Å; L199-C202 WeakPolarHBondContact O-CB 3.34Å; L199-C202 PolarHBondContact O-N 2.82Å; C202-I205 PolarHBondContact O-N 3.15Å; C202-R206 WeakPolarHBondContact O-CB 3.25Å; C202-R206 PolarHBondContact O-N 2.86Å
203Q86.6Confident83.5Confident28 Ų2830.7 Ų30.713%0.13114%0.142CC..Hα-helixtrans-63.2-43.6175-173.66059.300112.1L199 D200 L201 R206 D207 L301 H304L199-Q203 PolarHBondContact O-N 2.86Å; D200-Q203 WeakPolarHBondContact O-CB 3.46Å; D200-Q203 PolarHBondContact O-N 3.38Å; L201-Q203 PolarHBondContact O-N 3.36Å; Q203-R206 WeakPolarHBondContact O-CB 3.33Å; Q203-R206 PolarHBondContact O-N 3.3Å; Q203-D207 PolarHBondContact NE2-OD1 3.4Å; Q203-D207 WeakPolarHBondContact O-CB 3.5Å; Q203-D207 PolarHBondContact O-N 3.19Å; Q203-L301 HydrophobicContact CG-CD1 4.17Å; Q203-H304 PolarHBondContact OE1-CE1 2.97Å
204L89.6Confident83Confident8 Ų823.7 Ų23.74%0.04212%0.117CC..Hα-helixtrans-63.1-43.1176.4179.461.1000112A127 C130 L131 D200 L201 R206 D207 V208 S290 V293A127-L204 HydrophobicContact CB-CD1 4.48Å; C130-L204 HydrophobicContact CB-CD2 4.5Å; L131-L204 HydrophobicContact CD1-CG 4.23Å; L131-L204 HydrophobicContact CD2-CB 4.47Å; L131-L204 HydrophobicContact CD2-CD2 3.68Å; L131-L204 HydrophobicContact CD2-CG 3.89Å; L131-L204 HydrophobicContact CG-CD2 4.03Å; L131-L204 HydrophobicContact CG-CG 4.18Å; D200-L204 PolarHBondContact O-N 2.89Å; L201-L204 PolarHBondContact O-N 3.48Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 2.52Å; L204-D207 PolarHBondContact O-N 2.96Å; L204-V208 HydrophobicContact CD1-CG2 4.32Å; L204-V208 WeakPolarHBondContact O-CG2 3.49Å; L204-V208 PolarHBondContact O-N 2.82Å; L204-S290 VanDerWaalsContact CD1-O 3.29Å; L204-S290 WeakPolarHBondContact CD1-O 3.4Å; L204-V293 HydrophobicContact CD1-CG1 4.45Å
205I90.3Very high82.1Confident0 Ų022.5 Ų22.50%011%0.113CC..Hα-helixtrans-60.6-45.5175.8-64.2165.9000109.8L131 L135 I139 L142 V147 L180 L201 C202 D207 V208 L209L131-I205 HydrophobicContact CD1-CG1 4.37Å; L131-I205 HydrophobicContact CD2-CG1 3.73Å; L135-I205 HydrophobicContact CD1-CD1 4.01Å; L135-I205 HydrophobicContact CD1-CG1 4.22Å; L135-I205 HydrophobicContact CD2-CD1 4.34Å; I139-I205 HydrophobicContact CD1-CG2 4.05Å; L142-I205 HydrophobicContact CD1-CG2 4.14Å; V147-I205 HydrophobicContact CG2-CB 4.37Å; V147-I205 HydrophobicContact CG2-CG2 3.57Å; L180-I205 HydrophobicContact CD1-CD1 4.17Å; L180-I205 HydrophobicContact CD2-CD1 4.37Å; L201-I205 HydrophobicContact CD1-CD1 4.29Å; L201-I205 HydrophobicContact CD1-CG1 4.33Å; L201-I205 HydrophobicContact CG-CD1 3.97Å; L201-I205 HydrophobicContact CG-CG1 4.45Å; L201-I205 VanDerWaalsContact O-CG1 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 2.92Å; L201-I205 PolarHBondContact O-N 2.92Å; C202-I205 PolarHBondContact O-N 3.15Å; I205-D207 PolarHBondContact O-N 2.91Å; I205-V208 PolarHBondContact O-N 2.87Å; I205-L209 HydrophobicContact CG2-CD1 3.83Å; I205-L209 HydrophobicContact CG2-CG 4.24Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.3Å; I205-L209 PolarHBondContact O-N 3.43Å
206R86.7Confident81.2Confident45 Ų4525.3 Ų25.317%0.1713%0.127CC..Hα-helixtrans-60.1-45.1177.2-170.6-176.8-63.6-79.85.2111.7L144 V147 S148 E151 C202 Q203 L204 V208 L209 N210L144-R206 HydrophobicContact CD2-CG 4.1Å; V147-R206 HydrophobicContact CG1-CB 4.32Å; S148-R206 PolarHBondContact OG-NH1 3.04Å; S148-R206 PolarHBondContact OG-NH2 2.92Å; E151-R206 IonicContact OE2-CZ 3.93Å; E151-R206 IonicContact OE2-NE 3.26Å; E151-R206 IonicContact OE2-NH2 3.71Å; E151-R206 PolarHBondContact OE2-NH2 3.18Å; C202-R206 WeakPolarHBondContact O-CB 3.25Å; C202-R206 PolarHBondContact O-N 2.86Å; Q203-R206 WeakPolarHBondContact O-CB 3.33Å; Q203-R206 PolarHBondContact O-N 3.3Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 2.52Å; R206-V208 PolarHBondContact O-N 3.02Å; R206-L209 PolarHBondContact O-N 2.97Å; R206-N210 WeakPolarHBondContact O-CB 3.44Å; R206-N210 VanDerWaalsContact O-CG 3.31Å; R206-N210 PolarHBondContact O-N 2.88Å; R206-N210 PolarHBondContact O-ND2 2.64Å
207D85.9Confident80.6Confident4 Ų429.5 Ų29.52%0.02115%0.148CC..Hα-helixtrans-59.6-46.6177.9-68.5-19000111Q203 L204 I205 V211 G294 R298Q203-D207 PolarHBondContact NE2-OD1 3.4Å; Q203-D207 WeakPolarHBondContact O-CB 3.5Å; Q203-D207 PolarHBondContact O-N 3.19Å; L204-D207 PolarHBondContact O-N 2.96Å; I205-D207 PolarHBondContact O-N 2.91Å; D207-V211 WeakPolarHBondContact O-CB 3.38Å; D207-V211 WeakPolarHBondContact O-CG2 3.35Å; D207-V211 PolarHBondContact O-N 2.89Å; D207-V211 VanDerWaalsContact O-N 3.09Å; D207-G294 WeakPolarHBondContact OD2-CA 3.34Å; D207-R298 VanDerWaalsContact CG-NE 3.31Å; D207-R298 WeakPolarHBondContact OD1-CD 3.39Å; D207-R298 IonicContact OD1-CZ 3.54Å; D207-R298 IonicContact OD1-NE 2.88Å; D207-R298 PolarHBondContact OD1-NE 2.76Å; D207-R298 IonicContact OD1-NH2 2.85Å; D207-R298 IonicContact OD2-CZ 3.36Å; D207-R298 VanDerWaalsContact OD2-CZ 3.28Å; D207-R298 IonicContact OD2-NE 3.64Å; D207-R298 PolarHBondContact OD2-NE 3.48Å; D207-R298 VanDerWaalsContact OD2-NE 3.13Å; D207-R298 IonicContact OD2-NH2 2.87Å; D207-R298 PolarHBondContact OD2-NH2 3.19Å
208V88.1Confident79.8Confident4 Ų427.1 Ų27.12%0.02414%0.139CC..Hα-helixtrans-69.3-39.1179.5175.30000112.1A127 L128 L131 I139 L204 I205 R206 G212 V293A127-V208 HydrophobicContact CB-CG2 4.01Å; L128-V208 HydrophobicContact CD2-CG1 3.72Å; L131-V208 HydrophobicContact CD1-CB 4.03Å; L131-V208 HydrophobicContact CD1-CG1 4.35Å; L131-V208 HydrophobicContact CD1-CG2 3.77Å; I139-V208 HydrophobicContact CD1-CB 3.79Å; I139-V208 HydrophobicContact CD1-CG1 3.6Å; I139-V208 HydrophobicContact CG1-CG1 4.39Å; L204-V208 HydrophobicContact CD1-CG2 4.32Å; L204-V208 WeakPolarHBondContact O-CG2 3.49Å; L204-V208 PolarHBondContact O-N 2.82Å; I205-V208 PolarHBondContact O-N 2.87Å; R206-V208 PolarHBondContact O-N 3.02Å; V208-G212 PolarHBondContact O-N 3.1Å; V208-V293 HydrophobicContact CG2-CG1 3.99Å
209L83.9Confident78.7Confident16 Ų1631.7 Ų31.78%0.08417%0.172CC..Hα-helixtrans-63.6-47.3175.7-74.5175000111.7I139 L144 V147 I205 R206 V211 G212 E213I139-L209 HydrophobicContact CD1-CD2 4.49Å; I139-L209 HydrophobicContact CD1-CG 4.34Å; I139-L209 HydrophobicContact CG1-CD2 3.68Å; I139-L209 HydrophobicContact CG1-CG 4.03Å; L144-L209 HydrophobicContact CD2-CB 3.87Å; L144-L209 HydrophobicContact CD2-CD1 4.08Å; L144-L209 HydrophobicContact CG-CB 4.49Å; V147-L209 HydrophobicContact CG2-CD1 3.91Å; I205-L209 HydrophobicContact CG2-CD1 3.83Å; I205-L209 HydrophobicContact CG2-CG 4.24Å; I205-L209 WeakPolarHBondContact O-CB 3.45Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.3Å; I205-L209 PolarHBondContact O-N 3.43Å; R206-L209 PolarHBondContact O-N 2.97Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-V211 PolarHBondContact O-N 2.78Å; L209-G212 WeakPolarHBondContact O-CA 3.38Å; L209-G212 PolarHBondContact O-N 3.02Å; L209-G212 VanDerWaalsContact O-N 3.12Å; L209-E213 PolarHBondContact O-N 3.4Å
210N78.6Confident78.1Confident24 Ų2439.6 Ų39.613%0.12821%0.205CC..Hα-helixtrans-59.4-43178-79.6-25.3000112.1R206 Q830R206-N210 WeakPolarHBondContact O-CB 3.44Å; R206-N210 VanDerWaalsContact O-CG 3.31Å; R206-N210 PolarHBondContact O-N 2.88Å; R206-N210 PolarHBondContact O-ND2 2.64Å; N210-Q830 PolarHBondContact OD1-NE2 3.2Å
211V79.4Confident77.7Confident0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-72.7-33.6177.9-178.80000110.2W124 D207 L209 M214 A229 V293W124-V211 HydrophobicContact CH2-CB 4.09Å; W124-V211 HydrophobicContact CH2-CG1 3.35Å; W124-V211 HydrophobicContact CZ2-CB 4.25Å; W124-V211 HydrophobicContact CZ2-CG1 3.08Å; W124-V211 HydrophobicContact CZ3-CG1 4.32Å; D207-V211 WeakPolarHBondContact O-CB 3.38Å; D207-V211 WeakPolarHBondContact O-CG2 3.35Å; D207-V211 PolarHBondContact O-N 2.89Å; D207-V211 VanDerWaalsContact O-N 3.09Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-V211 PolarHBondContact O-N 2.78Å; V211-M214 WeakPolarHBondContact O-CB 3.39Å; V211-M214 PolarHBondContact O-N 3.41Å; V211-A229 HydrophobicContact CB-CB 4.45Å; V211-A229 HydrophobicContact CG1-CB 3.39Å; V211-V293 HydrophobicContact CG1-CG2 4.35Å
212G74.8Confident77.5Confident10 Ų1036 Ų3610%0.10319%0.187CC..Hα-helixtrans-63.1-42.7174.700000113.8V208 L209 M214 T215 M216 N217V208-G212 PolarHBondContact O-N 3.1Å; L209-G212 WeakPolarHBondContact O-CA 3.38Å; L209-G212 PolarHBondContact O-N 3.02Å; L209-G212 VanDerWaalsContact O-N 3.12Å; G212-M214 PolarHBondContact O-N 2.94Å; G212-T215 CarbonylContact O-C 3.57Å; G212-T215 WeakPolarHBondContact O-CA 3.45Å; G212-T215 PolarHBondContact O-N 2.85Å; G212-T215 PolarHBondContact O-OG1 2.8Å; G212-M216 PolarHBondContact O-N 3.39Å; G212-N217 PolarHBondContact O-N 2.99Å; G212-N217 VanDerWaalsContact O-N 3.07Å; G212-N217 PolarHBondContact O-OD1 2.86Å
213E70.5Confident77.4Confident44 Ų4436 Ų3621%0.20619%0.187CC..Hα-helixtrans-56.8-38.7174.6-76.1179.6172.700111.7L144 L209 T215 M216 N217L144-E213 WeakPolarHBondContact CD1-OE1 3.49Å; L209-E213 PolarHBondContact O-N 3.4Å; E213-T215 PolarHBondContact O-N 3.23Å; E213-M216 PolarHBondContact O-N 3.14Å; E213-N217 PolarHBondContact N-OD1 3.2Å
214M67.8Low77.1Confident30 Ų3034.9 Ų34.915%0.14818%0.182CC..Hα-helixtrans-65.7-22.5177.2-60.1-170-153.100113.5V211 G212 M216 A229 R231V211-M214 WeakPolarHBondContact O-CB 3.39Å; V211-M214 PolarHBondContact O-N 3.41Å; G212-M214 PolarHBondContact O-N 2.94Å; M214-M216 VanDerWaalsContact C-N 3.32Å; M214-A229 HydrophobicContact CB-CB 3.72Å; M214-A229 HydrophobicContact CG-CB 4.49Å; M214-A229 HydrophobicContact SD-CB 4.25Å; M214-R231 VanDerWaalsContact CE-CZ 3.42Å; M214-R231 HydrophobicContact SD-CG 4.3Å; M214-R231 PolarHBondContact SD-NE 3.41Å
215T66.1Low76.5Confident10 Ų1035.5 Ų35.56%0.06119%0.191CC..THydrogen-bonded Turntrans-96.820.1175.365.40000112.9W124 G212 E213 N217 N218 P221 A229W124-T215 HydrophobicContact CH2-CG2 4.22Å; W124-T215 HydrophobicContact CZ2-CG2 4.19Å; G212-T215 CarbonylContact O-C 3.57Å; G212-T215 WeakPolarHBondContact O-CA 3.45Å; G212-T215 PolarHBondContact O-N 2.85Å; G212-T215 PolarHBondContact O-OG1 2.8Å; E213-T215 PolarHBondContact O-N 3.23Å; T215-N217 PolarHBondContact O-N 3.23Å; T215-N218 WeakPolarHBondContact O-CB 3.31Å; T215-N218 PolarHBondContact O-N 2.73Å; T215-P221 HydrophobicContact CG2-CB 3.87Å; T215-P221 HydrophobicContact CG2-CG 4.15Å; T215-A229 HydrophobicContact CG2-CB 3.94Å
216M63.8Low76.3Confident60 Ų6037 Ų3730%0.29620%0.197SC..THydrogen-bonded Turntrans6421.9179.9-47.8-68.4-95.300114.1G212 E213 M214 N218 E733 G797G212-M216 PolarHBondContact O-N 3.39Å; E213-M216 PolarHBondContact O-N 3.14Å; M214-M216 VanDerWaalsContact C-N 3.32Å; M216-N218 PolarHBondContact O-N 3.01Å; M216-E733 HydrophobicContact CB-CG 4.43Å; M216-E733 HydrophobicContact CE-CG 4.21Å; M216-E733 VanDerWaalsContact CE-OE1 3.28Å; M216-E733 WeakPolarHBondContact CE-OE1 3.22Å; M216-E733 WeakPolarHBondContact CE-OE2 3.48Å; M216-E733 HydrophobicContact SD-CB 3.72Å; M216-E733 HydrophobicContact SD-CG 3.54Å; M216-E733 VanDerWaalsContact SD-CG 3.54Å; M216-G797 WeakPolarHBondContact SD-CA 3.5Å
217N65.6Low76.3Confident97 Ų9735.4 Ų35.452%0.51919%0.191SC..THydrogen-bonded Turntrans47.128.6-165.6-68-40.1000112.5G212 E213 T215 P219G212-N217 PolarHBondContact O-N 2.99Å; G212-N217 VanDerWaalsContact O-N 3.07Å; G212-N217 PolarHBondContact O-OD1 2.86Å; E213-N217 PolarHBondContact N-OD1 3.2Å; T215-N217 PolarHBondContact O-N 3.23Å; N217-P219 WeakPolarHBondContact O-CD 3.35Å
218N66.9Low75.9Confident50 Ų5039.3 Ų39.327%0.26721%0.206SC..  trans-61124.7176.6-178.8-15.1000106.9T215 M216 K220 P221 E431T215-N218 WeakPolarHBondContact O-CB 3.31Å; T215-N218 PolarHBondContact O-N 2.73Å; M216-N218 PolarHBondContact O-N 3.01Å; N218-K220 PolarHBondContact O-N 3.17Å; N218-K220 VanDerWaalsContact O-N 3.07Å; N218-K220 PolarHBondContact OD1-N 2.83Å; N218-P221 HydrophobicContact CB-CB 4.35Å; N218-P221 VanDerWaalsContact O-CD 3.28Å; N218-P221 WeakPolarHBondContact O-CD 3.42Å; N218-E431 PolarHBondContact ND2-OE1 2.9Å
219P64.3Low75.5Confident124 Ų12439.2 Ų39.281%0.80521%0.205SC*.SBendtrans-63.1-16.5-178.925-35.2000113.1N217N217-P219 WeakPolarHBondContact O-CD 3.35Å
220K70.7Confident75.6Confident178 Ų17838.4 Ų38.477%0.77420%0.201SC*.SBendtrans-141.973176.3-65.5-172.7179.3-173.80110.5N218N218-K220 PolarHBondContact O-N 3.17Å; N218-K220 VanDerWaalsContact O-N 3.07Å; N218-K220 PolarHBondContact OD1-N 2.83Å
221P76.3Confident75.7Confident20 Ų2039.5 Ų39.513%0.1320%0.203CC..  trans-70.8147.8-179.627.9-23.8000110.5T215 N218 K226T215-P221 HydrophobicContact CG2-CB 3.87Å; T215-P221 HydrophobicContact CG2-CG 4.15Å; N218-P221 HydrophobicContact CB-CB 4.35Å; N218-P221 VanDerWaalsContact O-CD 3.28Å; N218-P221 WeakPolarHBondContact O-CD 3.42Å; P221-K226 HydrophobicContact CB-CG 4.35Å; P221-K226 HydrophobicContact CG-CD 4.48Å; P221-K226 HydrophobicContact CG-CG 3.9Å; P221-K226 WeakPolarHBondContact O-CE 3.36Å
222S83.1Confident76Confident3 Ų339.6 Ų39.62%0.02120%0.204CC..  trans-62.4158.2175.477.60000111.5V224 G225 K226 T429S222-V224 PolarHBondContact O-N 2.87Å; S222-G225 PolarHBondContact O-N 3.48Å; S222-G225 PolarHBondContact OG-N 3.28Å; S222-K226 PolarHBondContact O-N 3.17Å; S222-T429 PolarHBondContact OG-O 3.11Å
223S85.8Confident76.7Confident0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-62.8-29.4179.4-49.30000111.5E121 Y227 N427E121-S223 WeakPolarHBondContact OE1-CB 3.49Å; E121-S223 PolarHBondContact OE1-OG 3.11Å; S223-Y227 WeakPolarHBondContact O-CB 3.49Å; S223-Y227 PolarHBondContact O-N 3.17Å; S223-N427 PolarHBondContact N-O 3.3Å; S223-N427 PolarHBondContact OG-N 3.31Å; S223-N427 VanDerWaalsContact OG-N 3.13Å
224V80.4Confident77.6Confident5 Ų539.5 Ų39.53%0.0320%0.201CC..Hα-helixtrans-67.6-44.4171.5179.20000111.4L112 S222 Y227 R228L112-V224 HydrophobicContact CB-CG2 4.28Å; S222-V224 PolarHBondContact O-N 2.87Å; V224-Y227 PolarHBondContact O-N 3.4Å; V224-R228 WeakPolarHBondContact O-CG 3.22Å; V224-R228 PolarHBondContact O-N 2.68Å
225G77.9Confident78.6Confident21 Ų2143.6 Ų43.622%0.21622%0.22CC..Hα-helixtrans-60.1-45.7175.500000111.9S222 Y227 R228 A229S222-G225 PolarHBondContact O-N 3.48Å; S222-G225 PolarHBondContact OG-N 3.28Å; G225-Y227 VanDerWaalsContact C-N 3.34Å; G225-Y227 PolarHBondContact O-N 3.12Å; G225-R228 PolarHBondContact O-N 2.76Å; G225-A229 WeakPolarHBondContact O-CB 3.28Å; G225-A229 PolarHBondContact O-N 2.77Å
226K85.7Confident79.7Confident31 Ų3144.1 Ų44.114%0.13523%0.225CC..Hα-helixtrans-58.3-41.5174-74.9-179.8-171159.90113.1V120 E121 W124 P221 S222V120-K226 HydrophobicContact CG1-CB 3.64Å; E121-K226 WeakPolarHBondContact OE1-CD 3.49Å; E121-K226 IonicContact OE1-NZ 2.86Å; E121-K226 PolarHBondContact OE1-NZ 2.85Å; E121-K226 IonicContact OE2-NZ 2.88Å; E121-K226 PolarHBondContact OE2-NZ 3.08Å; W124-K226 HydrophobicContact CB-CD 4.36Å; W124-K226 HydrophobicContact CD2-CD 4.27Å; W124-K226 HydrophobicContact CD2-CG 4.11Å; W124-K226 HydrophobicContact CG-CB 4.45Å; W124-K226 HydrophobicContact CG-CD 3.95Å; W124-K226 HydrophobicContact CG-CG 4.21Å; W124-K226 HydrophobicContact CZ2-CB 4.17Å; W124-K226 HydrophobicContact CZ2-CG 3.98Å; W124-K226 VanDerWaalsContact NE1-CB 3.34Å; W124-K226 PolarHBondContact NE1-O 3.26Å; P221-K226 HydrophobicContact CB-CG 4.35Å; P221-K226 HydrophobicContact CG-CD 4.48Å; P221-K226 HydrophobicContact CG-CG 3.9Å; P221-K226 WeakPolarHBondContact O-CE 3.36Å; S222-K226 PolarHBondContact O-N 3.17Å
227Y86.2Confident81Confident13 Ų1342.4 Ų42.45%0.05122%0.217CC..Hα-helixtrans-66.4-47.9177.4168.2-104.1000111.9L112 V116 V120 S223 V224 G225 A229 L230 C232 H233 I234L112-Y227 HydrophobicContact CD1-CD1 3.54Å; L112-Y227 HydrophobicContact CD1-CD2 3.47Å; L112-Y227 VanDerWaalsContact CD1-CD2 3.47Å; L112-Y227 HydrophobicContact CD1-CE1 3.91Å; L112-Y227 HydrophobicContact CD1-CE2 3.86Å; L112-Y227 HydrophobicContact CD1-CG 3.28Å; L112-Y227 HydrophobicContact CD2-CG 4.43Å; L112-Y227 HydrophobicContact CG-CG 4.5Å; V116-Y227 HydrophobicContact CG1-CD2 4.19Å; V116-Y227 HydrophobicContact CG1-CE2 4.19Å; V120-Y227 HydrophobicContact CG2-CD2 3.94Å; S223-Y227 WeakPolarHBondContact O-CB 3.49Å; S223-Y227 PolarHBondContact O-N 3.17Å; V224-Y227 PolarHBondContact O-N 3.4Å; G225-Y227 VanDerWaalsContact C-N 3.34Å; G225-Y227 PolarHBondContact O-N 3.12Å; Y227-A229 PolarHBondContact O-N 2.99Å; Y227-L230 WeakPolarHBondContact O-CB 3.3Å; Y227-L230 PolarHBondContact O-N 3.26Å; Y227-C232 WeakPolarHBondContact CE2-O 3.43Å; Y227-H233 PolarHBondContact OH-ND1 2.87Å; Y227-I234 HydrophobicContact CD2-CD1 4.4Å; Y227-I234 HydrophobicContact CE2-CB 3.97Å; Y227-I234 HydrophobicContact CE2-CD1 4.31Å; Y227-I234 HydrophobicContact CE2-CG1 4.09Å; Y227-I234 PolarHBondContact OH-N 2.86Å
228R79Confident82.1Confident86 Ų8641.7 Ų41.733%0.32522%0.217SC..Hα-helixtrans-57.9-39.4177.9-73.7177.8178.1165.80.1111.6N108 V224 G225 L230 R231N108-R228 PolarHBondContact O-NE 2.79Å; N108-R228 PolarHBondContact O-NH2 3.03Å; V224-R228 WeakPolarHBondContact O-CG 3.22Å; V224-R228 PolarHBondContact O-N 2.68Å; G225-R228 PolarHBondContact O-N 2.76Å; R228-L230 PolarHBondContact O-N 3.01Å; R228-R231 PolarHBondContact O-N 2.85Å
229A79.9Confident83Confident1 Ų147.4 Ų47.41%0.00824%0.235CC..Hα-helixtrans-63.4-22.8177.500000113.9W124 V211 M214 T215 G225 Y227W124-A229 HydrophobicContact CZ2-CB 4.12Å; V211-A229 HydrophobicContact CB-CB 4.45Å; V211-A229 HydrophobicContact CG1-CB 3.39Å; M214-A229 HydrophobicContact CB-CB 3.72Å; M214-A229 HydrophobicContact CG-CB 4.49Å; M214-A229 HydrophobicContact SD-CB 4.25Å; T215-A229 HydrophobicContact CG2-CB 3.94Å; G225-A229 WeakPolarHBondContact O-CB 3.28Å; G225-A229 PolarHBondContact O-N 2.77Å; Y227-A229 PolarHBondContact O-N 2.99Å
230L85.4Confident84.1Confident0 Ų046.7 Ų46.70%023%0.233CC..THydrogen-bonded Turntrans-77.7-15.9174.3-61.8-179.8000113.5V120 L123 Y227 R228 C232 I234 V293 M296 S297V120-L230 HydrophobicContact CG1-CD1 4.24Å; V120-L230 HydrophobicContact CG2-CD1 4Å; L123-L230 HydrophobicContact CD1-CD1 4.03Å; Y227-L230 WeakPolarHBondContact O-CB 3.3Å; Y227-L230 PolarHBondContact O-N 3.26Å; R228-L230 PolarHBondContact O-N 3.01Å; L230-C232 HydrophobicContact CB-CB 4.48Å; L230-C232 WeakPolarHBondContact O-CB 3.31Å; L230-C232 PolarHBondContact O-N 2.96Å; L230-I234 HydrophobicContact CD1-CD1 4.06Å; L230-V293 HydrophobicContact CD2-CG2 3.8Å; L230-M296 HydrophobicContact CB-CB 4.21Å; L230-M296 HydrophobicContact CD1-CB 4.4Å; L230-M296 HydrophobicContact CD2-CB 4.23Å; L230-M296 CarbonylContact O-C 3.6Å; L230-M296 VanDerWaalsContact O-C 3.27Å; L230-S297 WeakPolarHBondContact O-CA 3.17Å; L230-S297 PolarHBondContact O-N 2.75Å
231R80.4Confident85Confident47 Ų4739.6 Ų39.618%0.17721%0.206CC..THydrogen-bonded Turntrans45.132.2179.1-56.3-170.8-174.3167.14.7115.4M214 R228 S799 E801M214-R231 VanDerWaalsContact CE-CZ 3.42Å; M214-R231 HydrophobicContact SD-CG 4.3Å; M214-R231 PolarHBondContact SD-NE 3.41Å; R228-R231 PolarHBondContact O-N 2.85Å; R231-S799 PolarHBondContact NH2-OG 2.82Å; R231-E801 IonicContact CZ-OE1 2.68Å; R231-E801 IonicContact CZ-OE2 3.51Å; R231-E801 IonicContact NH1-OE1 2.82Å; R231-E801 PolarHBondContact NH1-OE1 2.84Å; R231-E801 IonicContact NH1-OE2 2.76Å; R231-E801 PolarHBondContact NH1-OE2 2.96Å; R231-E801 IonicContact NH2-OE1 2.98Å; R231-E801 PolarHBondContact NH2-OE1 3.24Å; R231-E801 IonicContact NH2-OE2 3.35Å
232C86.4Confident85.5Confident1 Ų142.5 Ų42.51%0.00723%0.226CC..  trans-128.3125.1-177.3-173.70000105.4Y227 L230 I234 R266 M296Y227-C232 WeakPolarHBondContact CE2-O 3.43Å; L230-C232 HydrophobicContact CB-CB 4.48Å; L230-C232 WeakPolarHBondContact O-CB 3.31Å; L230-C232 PolarHBondContact O-N 2.96Å; C232-I234 HydrophobicContact CB-CG1 4.41Å; C232-I234 PolarHBondContact O-N 3.42Å; C232-R266 HydrophobicContact CB-CG 4.1Å; C232-M296 HydrophobicContact CB-CB 4.06Å; C232-M296 WeakPolarHBondContact CB-O 3.3Å; C232-M296 HydrophobicContact CB-SD 4.43Å
233H87.6Confident85.7Confident45 Ų4544.8 Ų44.821%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-78.1118.2178.8176.658.8000106.4L103 L107 Y227 V264 S265L103-H233 HydrophobicContact CD1-CB 3.76Å; L103-H233 HydrophobicContact CG-CB 4.43Å; L107-H233 VanDerWaalsContact CD2-CA 3.49Å; L107-H233 HydrophobicContact CD2-CB 3.71Å; L107-H233 HydrophobicContact CG-CB 4.32Å; Y227-H233 PolarHBondContact OH-ND1 2.87Å; H233-V264 CarbonylContact O-C 3.59Å; H233-V264 VanDerWaalsContact O-CA 3.25Å; H233-V264 WeakPolarHBondContact O-CA 3.25Å; H233-S265 PolarHBondContact N-O 2.89Å; H233-S265 PolarHBondContact O-N 2.88Å
234I89.8Confident85.9Confident7 Ų746 Ų464%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-118.4124.2-176.5-52.3172.2000108.4V116 F119 V120 Y227 L230 C232 M262 C263 V264V116-I234 HydrophobicContact CG1-CB 3.85Å; V116-I234 HydrophobicContact CG1-CG2 3.92Å; V116-I234 HydrophobicContact CG2-CG2 4.24Å; F119-I234 HydrophobicContact CD1-CD1 4.46Å; F119-I234 HydrophobicContact CD1-CG2 4.45Å; F119-I234 HydrophobicContact CE1-CD1 4.45Å; V120-I234 HydrophobicContact CG2-CD1 4.35Å; Y227-I234 HydrophobicContact CD2-CD1 4.4Å; Y227-I234 HydrophobicContact CE2-CB 3.97Å; Y227-I234 HydrophobicContact CE2-CD1 4.31Å; Y227-I234 HydrophobicContact CE2-CG1 4.09Å; Y227-I234 PolarHBondContact OH-N 2.86Å; L230-I234 HydrophobicContact CD1-CD1 4.06Å; C232-I234 HydrophobicContact CB-CG1 4.41Å; C232-I234 PolarHBondContact O-N 3.42Å; I234-M262 HydrophobicContact CG2-CB 3.85Å; I234-M262 HydrophobicContact CG2-CG 4.19Å; I234-M262 HydrophobicContact CG2-SD 4.01Å; I234-C263 WeakPolarHBondContact CA-O 3.12Å; I234-V264 HydrophobicContact CG1-CG1 4.34Å
235E88.9Confident86.3Confident117 Ų11751.6 Ų51.655%0.54727%0.271SS..EExtended strand (participates in β ladder)trans-130.4128176.2-171.8-178.4-173.200110.1I237 M262 C263E235-I237 PolarHBondContact O-N 3.35Å; E235-M262 CarbonylContact O-C 3.55Å; E235-M262 VanDerWaalsContact O-CA 3.23Å; E235-M262 WeakPolarHBondContact O-CA 3.49Å; E235-C263 HydrophobicContact CB-CB 4.36Å; E235-C263 PolarHBondContact N-O 2.83Å; E235-C263 PolarHBondContact O-N 2.96Å
236A90.3Very high86.8Confident20 Ų2055.8 Ų55.817%0.16529%0.289CS..EExtended strand (participates in β ladder)trans-71.3125175.700000110.7D115 V116 P238 M262D115-A236 HydrophobicContact CB-CB 4.16Å; V116-A236 HydrophobicContact CG2-CB 4.3Å; A236-P238 WeakPolarHBondContact O-CD 3.35Å; A236-M262 HydrophobicContact CB-CG 4.43Å
237I90Very high87Confident25 Ų2554.5 Ų54.513%0.12828%0.284CS..PPolyproline II helixtrans-87.1123.1-178.5-60.1-177.3000109.5E235 R239 S241 V243 F244 I261 C263 Y408E235-I237 PolarHBondContact O-N 3.35Å; I237-R239 PolarHBondContact O-N 3.18Å; I237-S241 WeakPolarHBondContact CG2-OG 2.99Å; I237-V243 HydrophobicContact CD1-CG1 3.88Å; I237-V243 HydrophobicContact CG2-CB 4.31Å; I237-V243 HydrophobicContact CG2-CG1 4.48Å; I237-F244 HydrophobicContact CG2-CB 3.98Å; I237-F244 HydrophobicContact CG2-CD2 4.49Å; I237-I261 WeakPolarHBondContact CB-O 3.36Å; I237-I261 HydrophobicContact CD1-CG2 4Å; I237-I261 PolarHBondContact N-O 2.55Å; I237-C263 HydrophobicContact CD1-CB 4.03Å; I237-C263 HydrophobicContact CG1-CB 4.15Å; I237-Y408 HydrophobicContact CD1-CD1 3.56Å; I237-Y408 HydrophobicContact CD1-CE1 3.57Å
238P88.3Confident87.1Confident81 Ų8155.2 Ų55.253%0.52629%0.292SS..PPolyproline II helixtrans-61.3136.6177-2333.5000111.9A236 S240 S241 F244A236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-S240 PolarHBondContact O-N 3.16Å; P238-S240 VanDerWaalsContact O-N 3.11Å; P238-S241 VanDerWaalsContact O-CB 3.28Å; P238-S241 WeakPolarHBondContact O-CB 3.27Å; P238-S241 PolarHBondContact O-N 2.66Å; P238-S241 PolarHBondContact O-OG 3.25Å; P238-F244 WeakPolarHBondContact O-CB 3.22Å
239R87.8Confident87.6Confident171 Ų17154.2 Ų54.265%0.64530%0.302SS*.THydrogen-bonded Turntrans-58.5-24.8178.5-67.8-175175.2174.7-0.2114I237 S241 F244 Q259I237-R239 PolarHBondContact O-N 3.18Å; R239-S241 VanDerWaalsContact C-N 3.31Å; R239-F244 HydrophobicContact CG-CD2 4.29Å; R239-F244 HydrophobicContact CG-CE1 4.4Å; R239-F244 HydrophobicContact CG-CE2 3.85Å; R239-F244 HydrophobicContact CG-CZ 3.93Å; R239-Q259 PolarHBondContact NH2-O 3.45Å
240S87.1Confident87.8Confident109 Ų10957.6 Ų57.676%0.76232%0.319SS*.THydrogen-bonded Turntrans-79.6-10.5177.2540000113.8P238P238-S240 PolarHBondContact O-N 3.16Å; P238-S240 VanDerWaalsContact O-N 3.11Å
241S89.5Confident87.7Confident29 Ų2957.9 Ų57.920%0.20332%0.321CS..SBendtrans-74.4148.9-17872.40000112.1I237 P238 R239 V243 F244 Q245I237-S241 WeakPolarHBondContact CG2-OG 2.99Å; P238-S241 VanDerWaalsContact O-CB 3.28Å; P238-S241 WeakPolarHBondContact O-CB 3.27Å; P238-S241 PolarHBondContact O-N 2.66Å; P238-S241 PolarHBondContact O-OG 3.25Å; R239-S241 VanDerWaalsContact C-N 3.31Å; S241-V243 PolarHBondContact O-N 3.04Å; S241-F244 PolarHBondContact O-N 3.35Å; S241-F244 WeakPolarHBondContact OG-CB 3.5Å; S241-F244 PolarHBondContact OG-N 3.02Å; S241-F244 VanDerWaalsContact OG-N 3.1Å; S241-Q245 PolarHBondContact O-N 2.96Å
242S86.3Confident87.2Confident80 Ų8059.9 Ų59.956%0.55935%0.348SS*.Hα-helixtrans-63-3017253.30000112.2Q245 N246S242-Q245 PolarHBondContact O-N 2.9Å; S242-N246 PolarHBondContact O-N 3.17Å; S242-N246 PolarHBondContact O-ND2 2.96Å
243V86.6Confident86.4Confident52 Ų5263.4 Ų63.432%0.31537%0.367SS..Hα-helixtrans-62.8-47176.4-176.60000110.7I237 S241 Q245 N246 V247 Y408I237-V243 HydrophobicContact CD1-CG1 3.88Å; I237-V243 HydrophobicContact CG2-CB 4.31Å; I237-V243 HydrophobicContact CG2-CG1 4.48Å; S241-V243 PolarHBondContact O-N 3.04Å; V243-Q245 VanDerWaalsContact C-N 3.32Å; V243-Q245 PolarHBondContact O-N 2.74Å; V243-N246 PolarHBondContact O-N 2.92Å; V243-V247 HydrophobicContact CG1-CG2 4.48Å; V243-V247 WeakPolarHBondContact O-CG2 3.27Å; V243-V247 PolarHBondContact O-N 3.25Å; V243-Y408 HydrophobicContact CG1-CE1 3.77Å; V243-Y408 WeakPolarHBondContact CG1-OH 3.45Å
244F91Very high85Confident24 Ų2473.5 Ų73.511%0.10540%0.403CS..Hα-helixtrans-56.8-47.1177.1-171.5-80.3000111.4I237 P238 R239 S241 N246 V247 A248 I258 I261I237-F244 HydrophobicContact CG2-CB 3.98Å; I237-F244 HydrophobicContact CG2-CD2 4.49Å; P238-F244 WeakPolarHBondContact O-CB 3.22Å; R239-F244 HydrophobicContact CG-CD2 4.29Å; R239-F244 HydrophobicContact CG-CE1 4.4Å; R239-F244 HydrophobicContact CG-CE2 3.85Å; R239-F244 HydrophobicContact CG-CZ 3.93Å; S241-F244 PolarHBondContact O-N 3.35Å; S241-F244 WeakPolarHBondContact OG-CB 3.5Å; S241-F244 PolarHBondContact OG-N 3.02Å; S241-F244 VanDerWaalsContact OG-N 3.1Å; F244-N246 VanDerWaalsContact C-N 3.35Å; F244-N246 PolarHBondContact O-N 3.24Å; F244-V247 PolarHBondContact O-N 3.08Å; F244-A248 HydrophobicContact CD1-CB 4.49Å; F244-A248 HydrophobicContact CE1-CB 4.41Å; F244-A248 VanDerWaalsContact O-CB 3.24Å; F244-A248 WeakPolarHBondContact O-CB 3.31Å; F244-A248 PolarHBondContact O-N 2.87Å; F244-I258 HydrophobicContact CE2-CG2 4.48Å; F244-I258 HydrophobicContact CZ-CG2 3.93Å; F244-I261 HydrophobicContact CD1-CD1 4.26Å; F244-I261 HydrophobicContact CD2-CB 3.94Å; F244-I261 HydrophobicContact CD2-CD1 3.63Å; F244-I261 HydrophobicContact CD2-CG1 3.84Å; F244-I261 HydrophobicContact CE1-CD1 4.25Å; F244-I261 HydrophobicContact CE2-CB 3.97Å; F244-I261 HydrophobicContact CE2-CD1 3.63Å; F244-I261 HydrophobicContact CE2-CG1 3.54Å; F244-I261 HydrophobicContact CG-CD1 3.95Å; F244-I261 HydrophobicContact CZ-CD1 3.94Å; F244-I261 HydrophobicContact CZ-CG1 4.11Å
245Q88.8Confident84.1Confident124 Ų12475.2 Ų75.258%0.57942%0.416SS*.Hα-helixtrans-63.3-40.1-179.8-65.8178.7-600112.3S241 S242 V243 A249S241-Q245 PolarHBondContact O-N 2.96Å; S242-Q245 PolarHBondContact O-N 2.9Å; V243-Q245 VanDerWaalsContact C-N 3.32Å; V243-Q245 PolarHBondContact O-N 2.74Å; Q245-A249 WeakPolarHBondContact O-CB 3.29Å; Q245-A249 PolarHBondContact O-N 3.49Å
246N88.4Confident84Confident109 Ų10970.7 Ų70.758%0.58340%0.396SS*.Hα-helixtrans-65.9-43.5178.2-70.2-19.7000112.1S242 V243 F244 A249 L250S242-N246 PolarHBondContact O-N 3.17Å; S242-N246 PolarHBondContact O-ND2 2.96Å; V243-N246 PolarHBondContact O-N 2.92Å; F244-N246 VanDerWaalsContact C-N 3.35Å; F244-N246 PolarHBondContact O-N 3.24Å; N246-A249 WeakPolarHBondContact O-CB 3.49Å; N246-A249 PolarHBondContact O-N 3.1Å; N246-L250 PolarHBondContact O-N 3.32Å
247V88.7Confident84Confident4 Ų476.3 Ų76.32%0.02442%0.419CS..Hα-helixtrans-68.7-41.8177.7178.60000110.6V243 F244 A249 L250 L251 I261 V350 Y408 V410V243-V247 HydrophobicContact CG1-CG2 4.48Å; V243-V247 WeakPolarHBondContact O-CG2 3.27Å; V243-V247 PolarHBondContact O-N 3.25Å; F244-V247 PolarHBondContact O-N 3.08Å; V247-A249 PolarHBondContact O-N 3.16Å; V247-L250 WeakPolarHBondContact O-CB 3.46Å; V247-L250 PolarHBondContact O-N 2.94Å; V247-L250 VanDerWaalsContact O-N 3.1Å; V247-L251 HydrophobicContact CG1-CD1 4.46Å; V247-I261 HydrophobicContact CB-CD1 3.91Å; V247-I261 HydrophobicContact CB-CG2 4.45Å; V247-I261 HydrophobicContact CG1-CD1 3.86Å; V247-I261 HydrophobicContact CG1-CG2 4.07Å; V247-V350 HydrophobicContact CG1-CG2 4.16Å; V247-Y408 HydrophobicContact CG1-CD2 4.39Å; V247-Y408 HydrophobicContact CG2-CD1 4.34Å; V247-Y408 HydrophobicContact CG2-CD2 3.43Å; V247-Y408 VanDerWaalsContact CG2-CD2 3.43Å; V247-Y408 HydrophobicContact CG2-CE1 4.4Å; V247-Y408 HydrophobicContact CG2-CE2 3.45Å; V247-Y408 VanDerWaalsContact CG2-CE2 3.45Å; V247-Y408 HydrophobicContact CG2-CG 3.89Å; V247-V410 HydrophobicContact CG1-CG2 3.96Å
248A88.9Confident84Confident27 Ų2776.9 Ų76.922%0.22342%0.421CS..Hα-helixtrans-59.9-33.8174.200000112.6F244 L250 L251 A252 I258F244-A248 HydrophobicContact CD1-CB 4.49Å; F244-A248 HydrophobicContact CE1-CB 4.41Å; F244-A248 VanDerWaalsContact O-CB 3.24Å; F244-A248 WeakPolarHBondContact O-CB 3.31Å; F244-A248 PolarHBondContact O-N 2.87Å; A248-L250 VanDerWaalsContact C-N 3.34Å; A248-L250 PolarHBondContact O-N 3.25Å; A248-L251 CarbonylContact O-C 3.54Å; A248-L251 PolarHBondContact O-N 3.23Å; A248-L251 VanDerWaalsContact O-N 3.14Å; A248-A252 PolarHBondContact O-N 3.42Å; A248-I258 HydrophobicContact CB-CD1 3.61Å
249A88.6Confident84.1Confident65 Ų6574.8 Ų74.854%0.53741%0.405SS..Hα-helixtrans-67.8-30.1176.100000113.3Q245 N246 V247 L251 A252Q245-A249 WeakPolarHBondContact O-CB 3.29Å; Q245-A249 PolarHBondContact O-N 3.49Å; N246-A249 WeakPolarHBondContact O-CB 3.49Å; N246-A249 PolarHBondContact O-N 3.1Å; V247-A249 PolarHBondContact O-N 3.16Å; A249-L251 PolarHBondContact O-N 2.74Å; A249-A252 VanDerWaalsContact O-CB 3.24Å; A249-A252 WeakPolarHBondContact O-CB 3.41Å; A249-A252 PolarHBondContact O-N 3.22Å
250L85.3Confident84.3Confident72 Ų7268.8 Ų68.838%0.37738%0.384SS..Hα-helixtrans-65.4-25.4172.4-63.3173.7000111.9N246 V247 A248 P282 V350N246-L250 PolarHBondContact O-N 3.32Å; V247-L250 WeakPolarHBondContact O-CB 3.46Å; V247-L250 PolarHBondContact O-N 2.94Å; V247-L250 VanDerWaalsContact O-N 3.1Å; A248-L250 VanDerWaalsContact C-N 3.34Å; A248-L250 PolarHBondContact O-N 3.25Å; L250-P282 HydrophobicContact CD1-CB 4.19Å; L250-P282 HydrophobicContact CD1-CG 4.5Å; L250-V350 HydrophobicContact CD1-CG1 3.99Å
251L83.8Confident84.6Confident6 Ų663.6 Ų63.63%0.03135%0.348CS..THydrogen-bonded Turntrans-99.714.6-177.9-63.9155.1000112.6V247 A248 A249 D253 I258 V330 L348 V410V247-L251 HydrophobicContact CG1-CD1 4.46Å; A248-L251 CarbonylContact O-C 3.54Å; A248-L251 PolarHBondContact O-N 3.23Å; A248-L251 VanDerWaalsContact O-N 3.14Å; A249-L251 PolarHBondContact O-N 2.74Å; L251-D253 PolarHBondContact O-N 2.97Å; L251-I258 HydrophobicContact CB-CD1 4.25Å; L251-I258 HydrophobicContact CD1-CD1 3.6Å; L251-I258 HydrophobicContact CD1-CG1 4.2Å; L251-V330 HydrophobicContact CB-CG2 4.16Å; L251-V330 HydrophobicContact CD2-CG2 3.63Å; L251-V330 HydrophobicContact CG-CG2 4.41Å; L251-L348 HydrophobicContact CD2-CD1 3.97Å; L251-L348 HydrophobicContact CD2-CD2 4.05Å; L251-V410 HydrophobicContact CD1-CB 4.25Å; L251-V410 HydrophobicContact CD1-CG1 3.56Å; L251-V410 HydrophobicContact CD1-CG2 3.89Å
252A68.9Low84.8Confident90 Ų9062.2 Ų62.274%0.74434%0.338SS*.  trans-66.874.8-170.200000113A248 A249A248-A252 PolarHBondContact O-N 3.42Å; A249-A252 VanDerWaalsContact O-CB 3.24Å; A249-A252 WeakPolarHBondContact O-CB 3.41Å; A249-A252 PolarHBondContact O-N 3.22Å
253D69Low85.1Confident75 Ų7560 Ų6040%0.40132%0.323SS..  trans-123.1141168.9-173.1-0.2000108.2L251 S255 V256L251-D253 PolarHBondContact O-N 2.97Å; D253-S255 PolarHBondContact O-N 3.08Å; D253-S255 PolarHBondContact OD1-N 3.43Å; D253-S255 PolarHBondContact OD2-OG 3.41Å; D253-V256 HydrophobicContact CB-CG2 4.38Å; D253-V256 PolarHBondContact O-N 2.84Å
254R58.7Low85.3Confident257 Ų25757.7 Ų57.797%0.9731%0.308SS*.THydrogen-bonded Turntrans-67.8-16.8-177.9-66.1-173.6177.9-164.1-0.5112.9
255S72.1Confident85.2Confident43 Ų4357.6 Ų57.630%0.30131%0.31SS..THydrogen-bonded Turntrans-83.3-10.5-177.666.80000114.1D253 V414D253-S255 PolarHBondContact O-N 3.08Å; D253-S255 PolarHBondContact OD1-N 3.43Å; D253-S255 PolarHBondContact OD2-OG 3.41Å; S255-V414 VanDerWaalsContact O-CA 3.31Å; S255-V414 WeakPolarHBondContact O-CA 3.29Å
256V86.1Confident85Confident22 Ų2252.5 Ų52.513%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-110121.5-169.2176.50000111.8D253 I258 V330 F412 V414D253-V256 HydrophobicContact CB-CG2 4.38Å; D253-V256 PolarHBondContact O-N 2.84Å; V256-I258 HydrophobicContact CG1-CG1 4.26Å; V256-V330 HydrophobicContact CG2-CG1 3.87Å; V256-F412 HydrophobicContact CG1-CB 3.87Å; V256-F412 HydrophobicContact CG1-CD2 3.65Å; V256-F412 HydrophobicContact CG1-CE2 4.47Å; V256-F412 HydrophobicContact CG1-CG 3.96Å; V256-F412 HydrophobicContact CG2-CD2 4.46Å; V256-V414 HydrophobicContact CG2-CG1 4.29Å
257Q89.6Confident84.3Confident137 Ų13747.7 Ų47.764%0.6426%0.261SS*.EExtended strand (participates in β ladder)trans-103.5105.2172.3-173.3179.61.900110.4Q259 F412 R413Q257-Q259 PolarHBondContact O-N 3.17Å; Q257-F412 CarbonylContact O-C 3.49Å; Q257-F412 WeakPolarHBondContact O-CA 3.43Å; Q257-F412 WeakPolarHBondContact O-CB 3.16Å; Q257-R413 PolarHBondContact N-O 2.82Å; Q257-R413 PolarHBondContact O-N 3.06Å
258I91.3Very high83.7Confident37 Ų3749.8 Ų49.819%0.1927%0.274CS..EExtended strand (participates in β ladder)trans-74.4124.9177.9-57.5172.5000110F244 A248 L251 V256 I261 V410F244-I258 HydrophobicContact CE2-CG2 4.48Å; F244-I258 HydrophobicContact CZ-CG2 3.93Å; A248-I258 HydrophobicContact CB-CD1 3.61Å; L251-I258 HydrophobicContact CB-CD1 4.25Å; L251-I258 HydrophobicContact CD1-CD1 3.6Å; L251-I258 HydrophobicContact CD1-CG1 4.2Å; V256-I258 HydrophobicContact CG1-CG1 4.26Å; I258-I261 HydrophobicContact CG2-CD1 4.15Å; I258-I261 HydrophobicContact CG2-CG1 3.77Å; I258-V410 HydrophobicContact CG1-CG1 4.39Å; I258-V410 HydrophobicContact CG2-CG1 4.17Å
259Q89.8Confident83.4Confident38 Ų3849.1 Ų49.118%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-91.5-53.7176.5-62.2-175.9-41.900110.8R239 Q257 Q411 R413R239-Q259 PolarHBondContact NH2-O 3.45Å; Q257-Q259 PolarHBondContact O-N 3.17Å; Q259-Q411 HydrophobicContact CB-CG 4.34Å; Q259-Q411 WeakPolarHBondContact CB-O 3.29Å; Q259-Q411 PolarHBondContact N-O 3.45Å; Q259-R413 VanDerWaalsContact NE2-NE 3.15Å
260Q91.6Very high82.9Confident44 Ų4449 Ų4921%0.20626%0.256CS..EExtended strand (participates in β ladder)trans-148.3147.3-175.9-173.8149-71.900110.6M262 Q411Q260-M262 HydrophobicContact CG-CG 4.1Å; Q260-M262 HydrophobicContact CG-SD 4.5Å; Q260-Q411 HydrophobicContact CB-CB 4.37Å; Q260-Q411 PolarHBondContact N-O 3.4Å; Q260-Q411 PolarHBondContact O-N 2.94Å
261I94.2Very high82.2Confident0 Ų048 Ų480%025%0.25CC..EExtended strand (participates in β ladder)trans-122.3127.7170.3-55.4179.1000106.4I237 F244 V247 I258 Y408 I409 V410I237-I261 WeakPolarHBondContact CB-O 3.36Å; I237-I261 HydrophobicContact CD1-CG2 4Å; I237-I261 PolarHBondContact N-O 2.55Å; F244-I261 HydrophobicContact CD1-CD1 4.26Å; F244-I261 HydrophobicContact CD2-CB 3.94Å; F244-I261 HydrophobicContact CD2-CD1 3.63Å; F244-I261 HydrophobicContact CD2-CG1 3.84Å; F244-I261 HydrophobicContact CE1-CD1 4.25Å; F244-I261 HydrophobicContact CE2-CB 3.97Å; F244-I261 HydrophobicContact CE2-CD1 3.63Å; F244-I261 HydrophobicContact CE2-CG1 3.54Å; F244-I261 HydrophobicContact CG-CD1 3.95Å; F244-I261 HydrophobicContact CZ-CD1 3.94Å; F244-I261 HydrophobicContact CZ-CG1 4.11Å; V247-I261 HydrophobicContact CB-CD1 3.91Å; V247-I261 HydrophobicContact CB-CG2 4.45Å; V247-I261 HydrophobicContact CG1-CD1 3.86Å; V247-I261 HydrophobicContact CG1-CG2 4.07Å; I258-I261 HydrophobicContact CG2-CD1 4.15Å; I258-I261 HydrophobicContact CG2-CG1 3.77Å; I261-Y408 HydrophobicContact CG2-CD1 4.46Å; I261-I409 WeakPolarHBondContact CA-O 3.48Å; I261-V410 HydrophobicContact CG2-CG2 4.49Å
262M93.7Very high81.9Confident0 Ų050 Ų500%026%0.262CS..EExtended strand (participates in β ladder)trans-116.9137.3174.7-66.2159.6-70.500109.3F119 I234 E235 A236 Q260 Y408 I409F119-M262 HydrophobicContact CB-CE 4.19Å; F119-M262 HydrophobicContact CB-SD 3.71Å; F119-M262 HydrophobicContact CD1-CE 3.51Å; F119-M262 HydrophobicContact CD1-SD 3.4Å; F119-M262 WeakPolarHBondContact CD1-SD 3.41Å; F119-M262 HydrophobicContact CD2-CE 3.31Å; F119-M262 HydrophobicContact CD2-SD 4Å; F119-M262 HydrophobicContact CE1-CE 3.62Å; F119-M262 HydrophobicContact CE1-SD 4.02Å; F119-M262 HydrophobicContact CE2-CE 3.44Å; F119-M262 VanDerWaalsContact CE2-CE 3.44Å; F119-M262 HydrophobicContact CG-CE 3.36Å; F119-M262 HydrophobicContact CG-SD 3.4Å; F119-M262 WeakPolarHBondContact CG-SD 3.2Å; F119-M262 HydrophobicContact CZ-CE 3.61Å; I234-M262 HydrophobicContact CG2-CB 3.85Å; I234-M262 HydrophobicContact CG2-CG 4.19Å; I234-M262 HydrophobicContact CG2-SD 4.01Å; E235-M262 CarbonylContact O-C 3.55Å; E235-M262 VanDerWaalsContact O-CA 3.23Å; E235-M262 WeakPolarHBondContact O-CA 3.49Å; A236-M262 HydrophobicContact CB-CG 4.43Å; Q260-M262 HydrophobicContact CG-CG 4.1Å; Q260-M262 HydrophobicContact CG-SD 4.5Å; M262-Y408 CarbonylContact O-C 3.57Å; M262-Y408 VanDerWaalsContact O-CA 3.27Å; M262-Y408 WeakPolarHBondContact O-CA 3.46Å; M262-I409 HydrophobicContact CB-CG2 3.61Å; M262-I409 HydrophobicContact CE-CG2 3.69Å; M262-I409 PolarHBondContact N-O 3.21Å; M262-I409 PolarHBondContact O-N 3.44Å
263C92Very high82.7Confident35 Ų3546.6 Ų46.624%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-71.7135.2166.2-167.20000108I234 E235 I237 K407 Y408I234-C263 WeakPolarHBondContact CA-O 3.12Å; E235-C263 HydrophobicContact CB-CB 4.36Å; E235-C263 PolarHBondContact N-O 2.83Å; E235-C263 PolarHBondContact O-N 2.96Å; I237-C263 HydrophobicContact CD1-CB 4.03Å; I237-C263 HydrophobicContact CG1-CB 4.15Å; C263-K407 WeakPolarHBondContact CA-O 3.5Å; C263-Y408 HydrophobicContact CB-CD1 4.42Å; C263-Y408 HydrophobicContact CB-CE1 4.48Å
264V91.9Very high83.6Confident2 Ų246 Ų461%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-125.2138174.7-64.50000109.1H233 I234 M296 M406 K407 I409H233-V264 CarbonylContact O-C 3.59Å; H233-V264 VanDerWaalsContact O-CA 3.25Å; H233-V264 WeakPolarHBondContact O-CA 3.25Å; I234-V264 HydrophobicContact CG1-CG1 4.34Å; V264-M296 HydrophobicContact CB-SD 4.49Å; V264-M296 HydrophobicContact CG1-SD 3.93Å; V264-M406 HydrophobicContact CG2-CB 3.91Å; V264-K407 PolarHBondContact N-O 3.34Å; V264-I409 HydrophobicContact CG1-CB 4.21Å; V264-I409 HydrophobicContact CG1-CG2 3.71Å
265S86.9Confident84.9Confident22 Ų2236.8 Ų36.815%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-147.2133.2176.9-173.30000110.6L103 H233L103-S265 VanDerWaalsContact CD2-OG 3.27Å; L103-S265 WeakPolarHBondContact CD2-OG 3.44Å; H233-S265 PolarHBondContact N-O 2.89Å; H233-S265 PolarHBondContact O-N 2.88Å
266R85.4Confident85.4Confident18 Ų1840.5 Ų40.57%0.06821%0.213CC..  trans-119132.6178.6-66.517967.6-117-4.6109.3C232 V268 E269 L270 M296 S297 R298 G299 M406C232-R266 HydrophobicContact CB-CG 4.1Å; R266-V268 VanDerWaalsContact C-N 3.31Å; R266-V268 PolarHBondContact O-N 3.3Å; R266-E269 HydrophobicContact CB-CB 4.32Å; R266-E269 HydrophobicContact CB-CG 4.1Å; R266-E269 WeakPolarHBondContact CD-OE1 3.32Å; R266-E269 IonicContact CZ-OE1 2.9Å; R266-E269 IonicContact NE-OE1 3.84Å; R266-E269 IonicContact NH1-OE1 3.76Å; R266-E269 PolarHBondContact NH1-OE1 2.92Å; R266-E269 PolarHBondContact O-N 2.75Å; R266-L270 PolarHBondContact O-N 3.06Å; R266-L270 VanDerWaalsContact O-N 3.11Å; R266-M296 VanDerWaalsContact CD-O 3.29Å; R266-M296 WeakPolarHBondContact CD-O 3.43Å; R266-M296 PolarHBondContact NE-O 3.34Å; R266-M296 VanDerWaalsContact NE-O 3.09Å; R266-S297 PolarHBondContact NH2-O 2.8Å; R266-R298 PolarHBondContact NH1-O 3.01Å; R266-R298 PolarHBondContact NH2-O 3.35Å; R266-G299 VanDerWaalsContact CZ-CA 3.48Å; R266-M406 HydrophobicContact CG-CE 4.12Å
267A74Confident85.5Confident7 Ų741.4 Ų41.46%0.05822%0.217CC..Hα-helixtrans-61.6-38.8-176.100000113.1Q100 E104 L270 E271Q100-A267 PolarHBondContact NE2-O 2.94Å; E104-A267 HydrophobicContact CG-CB 3.27Å; E104-A267 VanDerWaalsContact OE1-CB 3.28Å; E104-A267 WeakPolarHBondContact OE1-CB 3.38Å; A267-L270 PolarHBondContact O-N 3.1Å; A267-E271 PolarHBondContact O-N 3.16Å
268V75.7Confident85.3Confident48 Ų4836.2 Ų36.229%0.29120%0.2SC..Hα-helixtrans-61.5-44.5176.5-1790000111.1R266 L270 E271 T272 W803R266-V268 VanDerWaalsContact C-N 3.31Å; R266-V268 PolarHBondContact O-N 3.3Å; V268-L270 PolarHBondContact O-N 3.31Å; V268-E271 VanDerWaalsContact O-CB 3.28Å; V268-E271 WeakPolarHBondContact O-CB 3.17Å; V268-E271 PolarHBondContact O-N 3.46Å; V268-E271 VanDerWaalsContact O-N 3.1Å; V268-T272 PolarHBondContact O-N 2.92Å; V268-T272 VanDerWaalsContact O-N 3.09Å; V268-W803 HydrophobicContact CG2-CH2 4.34Å; V268-W803 HydrophobicContact CG2-CZ2 4.12Å
269E83Confident85.5Confident14 Ų1438 Ų387%0.06521%0.21CC..Hα-helixtrans-69-35.1-179.1-65.9175.8-168.200112.3R266 E271 F273 K405 M406R266-E269 HydrophobicContact CB-CB 4.32Å; R266-E269 HydrophobicContact CB-CG 4.1Å; R266-E269 WeakPolarHBondContact CD-OE1 3.32Å; R266-E269 IonicContact CZ-OE1 2.9Å; R266-E269 IonicContact NE-OE1 3.84Å; R266-E269 IonicContact NH1-OE1 3.76Å; R266-E269 PolarHBondContact NH1-OE1 2.92Å; R266-E269 PolarHBondContact O-N 2.75Å; E269-E271 PolarHBondContact O-N 3.11Å; E269-F273 WeakPolarHBondContact O-CB 3.28Å; E269-F273 PolarHBondContact O-N 3.26Å; E269-F273 VanDerWaalsContact O-N 3.09Å; E269-K405 HydrophobicContact CB-CG 4.23Å; E269-M406 WeakPolarHBondContact OE1-CE 3.48Å; E269-M406 WeakPolarHBondContact OE2-CB 3.49Å; E269-M406 PolarHBondContact OE2-N 3.24Å
270L77.4Confident85.8Confident63 Ų6339 Ų3933%0.3322%0.218SC..Hα-helixtrans-61.2-27.2173-71.8173000112.4Q100 L103 R266 A267 V268 K405Q100-L270 HydrophobicContact CG-CB 3.92Å; Q100-L270 HydrophobicContact CG-CD1 4.22Å; L103-L270 HydrophobicContact CD2-CD1 3.43Å; L103-L270 VanDerWaalsContact CD2-CD1 3.43Å; R266-L270 PolarHBondContact O-N 3.06Å; R266-L270 VanDerWaalsContact O-N 3.11Å; A267-L270 PolarHBondContact O-N 3.1Å; V268-L270 PolarHBondContact O-N 3.31Å; L270-K405 HydrophobicContact CD2-CD 4.11Å
271E70.6Confident85.9Confident50 Ų5040.4 Ų40.423%0.23422%0.224CC..Hα-helixtrans-80-53.7179.6-160.6-170161.400112.2F4 Q100 A267 V268 E269 R807F4-E271 HydrophobicContact CE1-CG 4.28Å; Q100-E271 VanDerWaalsContact NE2-CA 3.26Å; A267-E271 PolarHBondContact O-N 3.16Å; V268-E271 VanDerWaalsContact O-CB 3.28Å; V268-E271 WeakPolarHBondContact O-CB 3.17Å; V268-E271 PolarHBondContact O-N 3.46Å; V268-E271 VanDerWaalsContact O-N 3.1Å; E269-E271 PolarHBondContact O-N 3.11Å; E271-R807 VanDerWaalsContact CD-NE 3.31Å; E271-R807 VanDerWaalsContact CD-NH1 3.25Å; E271-R807 IonicContact OE1-CZ 2.8Å; E271-R807 IonicContact OE1-NE 3.14Å; E271-R807 PolarHBondContact OE1-NE 2.9Å; E271-R807 IonicContact OE1-NH1 3.88Å; E271-R807 IonicContact OE1-NH2 3.15Å; E271-R807 PolarHBondContact OE1-NH2 2.94Å; E271-R807 IonicContact OE2-CZ 3.64Å; E271-R807 IonicContact OE2-NE 2.8Å; E271-R807 PolarHBondContact OE2-NE 2.6Å; E271-R807 IonicContact OE2-NH1 3.92Å; E271-R807 PolarHBondContact OE2-NH1 3.25Å; E271-R807 IonicContact OE2-NH2 3.68Å; E271-R807 PolarHBondContact OE2-NH2 3.47Å
272T77.8Confident85.9Confident47 Ų4743.4 Ų43.429%0.28824%0.243SC..Hα-helixtrans-88.9-12.8-165.969.60000112.4V268 Q274 D402V268-T272 PolarHBondContact O-N 2.92Å; V268-T272 VanDerWaalsContact O-N 3.09Å; T272-Q274 PolarHBondContact O-N 3.41Å; T272-D402 WeakPolarHBondContact CB-OD1 3.37Å; T272-D402 WeakPolarHBondContact O-CB 3.35Å; T272-D402 PolarHBondContact OG1-OD1 3.45Å; T272-D402 VanDerWaalsContact OG1-OD1 3.09Å
273F86.8Confident86Confident20 Ų2043.6 Ų43.69%0.08824%0.244CC..  trans-61.7110.3-176.9-178.2-113.4000113.1E269 S275 V280 D352 A354 D402 Q403 K405E269-F273 WeakPolarHBondContact O-CB 3.28Å; E269-F273 PolarHBondContact O-N 3.26Å; E269-F273 VanDerWaalsContact O-N 3.09Å; F273-S275 PolarHBondContact O-N 2.8Å; F273-V280 HydrophobicContact CE1-CG1 4.37Å; F273-V280 HydrophobicContact CZ-CG1 3.87Å; F273-V280 HydrophobicContact CZ-CG2 4.38Å; F273-D352 WeakPolarHBondContact CE2-O 3.4Å; F273-D352 HydrophobicContact CZ-CB 4.01Å; F273-A354 HydrophobicContact CE2-CB 3.96Å; F273-A354 HydrophobicContact CZ-CB 4.02Å; F273-D402 CarbonylContact C-O 3.55Å; F273-D402 VanDerWaalsContact CA-O 3.26Å; F273-D402 WeakPolarHBondContact CA-O 3.28Å; F273-Q403 WeakPolarHBondContact CE2-O 3.14Å; F273-K405 HydrophobicContact CB-CB 4.22Å; F273-K405 HydrophobicContact CD1-CB 4.21Å; F273-K405 HydrophobicContact CD1-CD 4.24Å; F273-K405 HydrophobicContact CD2-CB 3.61Å; F273-K405 HydrophobicContact CE1-CB 4.48Å; F273-K405 HydrophobicContact CE2-CB 3.91Å; F273-K405 HydrophobicContact CG-CB 3.76Å; F273-K405 HydrophobicContact CG-CD 4.39Å; F273-K405 HydrophobicContact CZ-CB 4.33Å
274Q86.1Confident86.2Confident61 Ų6142.1 Ų42.129%0.28523%0.234SC..  trans-76.365.1-178.4-69.2177.33.300111.9T272 E276 I277 A354 D402T272-Q274 PolarHBondContact O-N 3.41Å; Q274-E276 WeakPolarHBondContact CA-OE2 3.32Å; Q274-E276 PolarHBondContact O-N 3.14Å; Q274-I277 HydrophobicContact CB-CD1 4.27Å; Q274-I277 HydrophobicContact CB-CG2 4.28Å; Q274-I277 VanDerWaalsContact O-CG1 3.32Å; Q274-I277 WeakPolarHBondContact O-CG1 3.43Å; Q274-I277 PolarHBondContact O-N 3.14Å; Q274-A354 WeakPolarHBondContact O-CB 3.3Å; Q274-D402 HydrophobicContact CG-CB 4.01Å; Q274-D402 PolarHBondContact N-O 2.92Å
275S86.1Confident86.3Confident65 Ų6543.7 Ų43.746%0.45524%0.241SC..G310 helixtrans-62.3-24178.465.10000113.6F273 I277 G278F273-S275 PolarHBondContact O-N 2.8Å; S275-I277 VanDerWaalsContact C-N 3.34Å; S275-I277 PolarHBondContact O-N 2.85Å; S275-G278 PolarHBondContact O-N 2.75Å
276E82.4Confident86.5Confident120 Ų12043 Ų4356%0.56124%0.236SC*.G310 helixtrans-70-21.9-175.865.1-78.1179.100114.7Q274 G278Q274-E276 WeakPolarHBondContact CA-OE2 3.32Å; Q274-E276 PolarHBondContact O-N 3.14Å; E276-G278 PolarHBondContact O-N 2.95Å
277I88.3Confident86.8Confident41 Ų4143 Ų4321%0.2124%0.239CC..G310 helixtrans-68.5-13.9175.171.8-168.2000111.9Q274 S275 A354 G356 Q403Q274-I277 HydrophobicContact CB-CD1 4.27Å; Q274-I277 HydrophobicContact CB-CG2 4.28Å; Q274-I277 VanDerWaalsContact O-CG1 3.32Å; Q274-I277 WeakPolarHBondContact O-CG1 3.43Å; Q274-I277 PolarHBondContact O-N 3.14Å; S275-I277 VanDerWaalsContact C-N 3.34Å; S275-I277 PolarHBondContact O-N 2.85Å; I277-A354 HydrophobicContact CD1-CB 3.66Å; I277-A354 WeakPolarHBondContact CD1-O 3.35Å; I277-A354 HydrophobicContact CG1-CB 3.78Å; I277-G356 WeakPolarHBondContact O-CA 3.43Å; I277-Q403 HydrophobicContact CD1-CG 3.91Å
278G87.1Confident87.6Confident28 Ų2844 Ų4429%0.28925%0.246SC..  trans76.1-175.9174.200000113.9S275 E276 V280 G356S275-G278 PolarHBondContact O-N 2.75Å; E276-G278 PolarHBondContact O-N 2.95Å; G278-V280 VanDerWaalsContact C-N 3.27Å; G278-V280 PolarHBondContact O-N 3.08Å; G278-G356 WeakPolarHBondContact O-CA 3.49Å; G278-G356 PolarHBondContact O-N 3.42Å
279N94.8Very high88.4Confident75 Ų7541.8 Ų41.840%0.40123%0.233SC..  trans52.645.2-174.8-171.822.1000112.4K281 L355 G356N279-K281 PolarHBondContact O-N 3.45Å; N279-K281 WeakPolarHBondContact OD1-CE 3.35Å; N279-L355 HydrophobicContact CB-CB 4.4Å; N279-L355 WeakPolarHBondContact O-CB 3.43Å; N279-L355 PolarHBondContact O-N 2.95Å; N279-L355 VanDerWaalsContact O-N 3.14Å; N279-G356 WeakPolarHBondContact CB-O 3.16Å; N279-G356 PolarHBondContact ND2-O 3.25Å
280V95.5Very high88.9Confident59 Ų5941.4 Ų41.436%0.35823%0.231SC..EExtended strand (participates in β ladder)trans-77.4121.1176.8-1770000109.1F273 G278 D352 V353 A354F273-V280 HydrophobicContact CE1-CG1 4.37Å; F273-V280 HydrophobicContact CZ-CG1 3.87Å; F273-V280 HydrophobicContact CZ-CG2 4.38Å; G278-V280 VanDerWaalsContact C-N 3.27Å; G278-V280 PolarHBondContact O-N 3.08Å; V280-D352 HydrophobicContact CG1-CB 3.96Å; V280-V353 VanDerWaalsContact CA-O 3.31Å; V280-V353 WeakPolarHBondContact CA-O 3.42Å; V280-A354 HydrophobicContact CG2-CB 4.01Å
281K94.8Very high89.6Confident74 Ų7441 Ų4132%0.32223%0.23SC..EExtended strand (participates in β ladder)trans-123.4143179.7-65.9-170.7-175.6178.40111.4N279 L283 V353 L355N279-K281 PolarHBondContact O-N 3.45Å; N279-K281 WeakPolarHBondContact OD1-CE 3.35Å; K281-L283 HydrophobicContact CB-CD2 4.23Å; K281-L283 HydrophobicContact CB-CG 4.1Å; K281-L283 PolarHBondContact O-N 3.37Å; K281-V353 PolarHBondContact N-O 3.03Å; K281-V353 PolarHBondContact O-N 3.48Å; K281-L355 HydrophobicContact CB-CD1 4.49Å; K281-L355 HydrophobicContact CD-CD1 3.8Å; K281-L355 HydrophobicContact CG-CD1 4.2Å
282P94.4Very high90.7Very high63 Ų6338.6 Ų38.641%0.40922%0.218SC..EExtended strand (participates in β ladder)trans-72.9116.5165.330.4-31000108.8L250 V350 C351L250-P282 HydrophobicContact CD1-CB 4.19Å; L250-P282 HydrophobicContact CD1-CG 4.5Å; P282-V350 HydrophobicContact CB-CG1 4.16Å; P282-C351 CarbonylContact C-O 3.55Å; P282-C351 VanDerWaalsContact CA-O 3.31Å; P282-C351 WeakPolarHBondContact CA-O 2.96Å
283L95.8Very high91.4Very high3 Ų336.4 Ų36.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-126.6160.5178.9-59.8176.4000111.3K281 F326 D328 V350 C351 V353 L355 Y396K281-L283 HydrophobicContact CB-CD2 4.23Å; K281-L283 HydrophobicContact CB-CG 4.1Å; K281-L283 PolarHBondContact O-N 3.37Å; L283-F326 HydrophobicContact CB-CB 3.75Å; L283-F326 HydrophobicContact CB-CD1 4.21Å; L283-F326 HydrophobicContact CB-CG 4.24Å; L283-F326 HydrophobicContact CD1-CB 3.84Å; L283-F326 HydrophobicContact CD1-CG 4.46Å; L283-F326 HydrophobicContact CG-CB 4.44Å; L283-D328 HydrophobicContact CD2-CB 4.01Å; L283-V350 WeakPolarHBondContact O-CA 3.11Å; L283-C351 PolarHBondContact N-O 3.12Å; L283-C351 PolarHBondContact O-N 2.91Å; L283-V353 HydrophobicContact CB-CG2 4.05Å; L283-V353 HydrophobicContact CD1-CB 3.94Å; L283-V353 HydrophobicContact CD1-CG1 4.27Å; L283-V353 HydrophobicContact CD1-CG2 4.1Å; L283-V353 HydrophobicContact CG-CB 4.43Å; L283-V353 HydrophobicContact CG-CG2 4.36Å; L283-L355 HydrophobicContact CD1-CD1 4.37Å; L283-L355 HydrophobicContact CD1-CD2 4.3Å; L283-Y396 HydrophobicContact CD1-CD2 3.99Å; L283-Y396 HydrophobicContact CD1-CG 3.86Å; L283-Y396 HydrophobicContact CD2-CD2 4.07Å; L283-Y396 HydrophobicContact CD2-CE2 4.17Å
284L95.2Very high91.5Very high5 Ų535.4 Ų35.43%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-101.7135-171.1-48.3179.9000110.9F326 G327 V330 S333 L348 L349 V350L284-F326 WeakPolarHBondContact O-CA 3.3Å; L284-G327 WeakPolarHBondContact CB-O 3.35Å; L284-G327 PolarHBondContact N-O 3.26Å; L284-G327 PolarHBondContact O-N 3.33Å; L284-V330 HydrophobicContact CD1-CG2 4.07Å; L284-S333 WeakPolarHBondContact CB-OG 3.07Å; L284-L348 HydrophobicContact CB-CD1 4.27Å; L284-L348 HydrophobicContact CB-CD2 4.19Å; L284-L348 HydrophobicContact CB-CG 4.47Å; L284-L348 HydrophobicContact CD1-CD1 4.4Å; L284-L348 HydrophobicContact CD2-CD2 3.79Å; L284-L348 HydrophobicContact CG-CD2 4.44Å; L284-L349 CarbonylContact C-O 3.52Å; L284-L349 WeakPolarHBondContact CA-O 3.27Å; L284-V350 HydrophobicContact CD2-CG2 3.89Å
285H94.4Very high91.8Very high34 Ų3432.8 Ų32.816%0.15719%0.188CC..EExtended strand (participates in β ladder)trans-133.9140.3173.5-179.386.8000109.9L300 Y325 F326 L349H285-L300 WeakPolarHBondContact NE2-CD2 3.33Å; H285-Y325 PolarHBondContact ND1-O 2.91Å; H285-F326 HydrophobicContact CB-CD1 3.84Å; H285-F326 HydrophobicContact CB-CE1 3.83Å; H285-L349 HydrophobicContact CB-CB 4.36Å; H285-L349 PolarHBondContact N-O 3.22Å; H285-L349 PolarHBondContact O-N 2.98Å
286S91.1Very high92.1Very high8 Ų829.7 Ų29.76%0.05617%0.167CC..  trans-135.2147.8178.8-79.90000111.1S333 Y336 F347S286-S333 WeakPolarHBondContact CB-O 3.12Å; S286-S333 WeakPolarHBondContact OG-CB 3.38Å; S286-Y336 WeakPolarHBondContact O-CB 3.4Å; S286-F347 PolarHBondContact OG-O 3.48Å
287S90.9Very high92.3Very high17 Ų1724.8 Ų24.812%0.11915%0.145CC..  trans-144.7169.9178.7175.30000109.2N291 Y336S287-N291 WeakPolarHBondContact OG-CB 3.43Å; S287-N291 PolarHBondContact OG-ND2 3.05Å; S287-Y336 CarbonylContact C-O 3.58Å
288S90.9Very high92.2Very high30 Ų3025.7 Ų25.721%0.2115%0.146CC..  trans-57.2137.4168.7-172.10000110.8S290 N291 F292S288-S290 PolarHBondContact O-N 3.45Å; S288-S290 PolarHBondContact OG-OG 3.15Å; S288-N291 WeakPolarHBondContact O-CB 3.13Å; S288-N291 PolarHBondContact O-N 3.41Å; S288-F292 WeakPolarHBondContact O-CD2 3.11Å
289P93.4Very high92.3Very high1 Ų124.4 Ų24.41%0.00613%0.133CC..G310 helixtrans-49.1-39.7175.3-34.540.8000114.6E126 N291 F292 K338 F347E126-P289 HydrophobicContact CG-CB 3.65Å; P289-N291 PolarHBondContact O-N 3.15Å; P289-N291 VanDerWaalsContact O-N 3.08Å; P289-F292 WeakPolarHBondContact O-CB 3.49Å; P289-F292 PolarHBondContact O-N 3.43Å; P289-F292 VanDerWaalsContact O-N 3.09Å; P289-K338 VanDerWaalsContact CD-O 3.28Å; P289-K338 WeakPolarHBondContact CD-O 3.29Å; P289-K338 VanDerWaalsContact CG-O 3.24Å; P289-K338 WeakPolarHBondContact CG-O 3.27Å; P289-F347 HydrophobicContact CB-CD2 3.87Å; P289-F347 HydrophobicContact CB-CE2 3.7Å; P289-F347 HydrophobicContact CG-CD2 4.21Å; P289-F347 HydrophobicContact CG-CE2 4.38Å
290S92.6Very high92.1Very high6 Ų621.5 Ų21.54%0.04212%0.117CC..G310 helixtrans-53.3-28.9175.458.10000114.5A127 L204 S288A127-S290 WeakPolarHBondContact CB-O 3.24Å; L204-S290 VanDerWaalsContact CD1-O 3.29Å; L204-S290 WeakPolarHBondContact CD1-O 3.4Å; S288-S290 PolarHBondContact O-N 3.45Å; S288-S290 PolarHBondContact OG-OG 3.15Å
291N91.8Very high91.5Very high54 Ų5422 Ų2229%0.28912%0.118SC..G310 helixtrans-85.5-12.4-174.8-60.6-8000112.5S287 S288 P289 V293 G294 I295S287-N291 WeakPolarHBondContact OG-CB 3.43Å; S287-N291 PolarHBondContact OG-ND2 3.05Å; S288-N291 WeakPolarHBondContact O-CB 3.13Å; S288-N291 PolarHBondContact O-N 3.41Å; P289-N291 PolarHBondContact O-N 3.15Å; P289-N291 VanDerWaalsContact O-N 3.08Å; N291-V293 VanDerWaalsContact C-N 3.27Å; N291-V293 PolarHBondContact O-N 3.4Å; N291-G294 PolarHBondContact O-N 2.86Å; N291-G294 VanDerWaalsContact O-N 3.11Å; N291-I295 HydrophobicContact CB-CD1 4.17Å; N291-I295 WeakPolarHBondContact O-CG1 3.31Å; N291-I295 PolarHBondContact O-N 3.35Å
292F93.9Very high90.8Very high0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-70.8-22-173.4-85.8-102.4000113.3L123 S288 P289 G294 I295 M296 F347 L349 I409L123-F292 HydrophobicContact CD2-CB 3.55Å; L123-F292 HydrophobicContact CD2-CG 4.48Å; S288-F292 WeakPolarHBondContact O-CD2 3.11Å; P289-F292 WeakPolarHBondContact O-CB 3.49Å; P289-F292 PolarHBondContact O-N 3.43Å; P289-F292 VanDerWaalsContact O-N 3.09Å; F292-G294 VanDerWaalsContact C-N 3.29Å; F292-G294 PolarHBondContact O-N 3.14Å; F292-I295 HydrophobicContact CD2-CD1 4.29Å; F292-I295 HydrophobicContact CE2-CD1 4.4Å; F292-I295 HydrophobicContact CG-CD1 4.47Å; F292-I295 PolarHBondContact O-N 3.09Å; F292-M296 HydrophobicContact CD1-CE 4.18Å; F292-M296 WeakPolarHBondContact O-CB 3.34Å; F292-M296 WeakPolarHBondContact O-CG 3.33Å; F292-M296 PolarHBondContact O-N 3.02Å; F292-F347 HydrophobicContact CB-CD2 4.27Å; F292-F347 HydrophobicContact CD1-CB 4.36Å; F292-F347 HydrophobicContact CD1-CD2 4.26Å; F292-F347 HydrophobicContact CD2-CB 4.1Å; F292-F347 AromaticContact CD2-CD2 3.67Å; F292-F347 HydrophobicContact CD2-CD2 3.67Å; F292-F347 HydrophobicContact CD2-CG 4.4Å; F292-F347 HydrophobicContact CE1-CB 3.82Å; F292-F347 HydrophobicContact CE2-CB 3.54Å; F292-F347 HydrophobicContact CE2-CD2 4Å; F292-F347 HydrophobicContact CE2-CG 4.3Å; F292-F347 HydrophobicContact CG-CB 4.47Å; F292-F347 AromaticContact CG-CD2 3.8Å; F292-F347 HydrophobicContact CG-CD2 3.8Å; F292-F347 HydrophobicContact CZ-CB 3.37Å; F292-F347 HydrophobicContact CZ-CD2 4.42Å; F292-F347 HydrophobicContact CZ-CG 4.38Å; F292-L349 HydrophobicContact CE1-CD1 4.05Å; F292-L349 HydrophobicContact CE1-CD2 3.9Å; F292-L349 HydrophobicContact CE1-CG 3.71Å; F292-L349 HydrophobicContact CZ-CD1 4.42Å; F292-L349 HydrophobicContact CZ-CG 4.15Å; F292-I409 HydrophobicContact CD1-CD1 3.27Å; F292-I409 HydrophobicContact CD1-CG1 4.43Å; F292-I409 HydrophobicContact CE1-CD1 3.3Å; F292-I409 HydrophobicContact CE1-CG1 4.02Å; F292-I409 HydrophobicContact CG-CD1 4.41Å; F292-I409 HydrophobicContact CZ-CD1 4.47Å
293V92.1Very high89.6Confident0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-59.3-44169.175.60000110.9W124 A127 L204 V208 V211 L230 N291 S297W124-V293 HydrophobicContact CD2-CG2 4.48Å; A127-V293 HydrophobicContact CB-CB 4.1Å; A127-V293 HydrophobicContact CB-CG1 3.57Å; L204-V293 HydrophobicContact CD1-CG1 4.45Å; V208-V293 HydrophobicContact CG2-CG1 3.99Å; V211-V293 HydrophobicContact CG1-CG2 4.35Å; L230-V293 HydrophobicContact CD2-CG2 3.8Å; N291-V293 VanDerWaalsContact C-N 3.27Å; N291-V293 PolarHBondContact O-N 3.4Å; V293-S297 WeakPolarHBondContact O-CB 3.29Å; V293-S297 PolarHBondContact O-N 3.27Å; V293-S297 PolarHBondContact O-OG 2.89Å
294G89.3Confident87.9Confident0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-72.8-44.4176.300000112.4D207 N291 F292 M296 S297 R298D207-G294 WeakPolarHBondContact OD2-CA 3.34Å; N291-G294 PolarHBondContact O-N 2.86Å; N291-G294 VanDerWaalsContact O-N 3.11Å; F292-G294 VanDerWaalsContact C-N 3.29Å; F292-G294 PolarHBondContact O-N 3.14Å; G294-M296 VanDerWaalsContact C-N 3.31Å; G294-M296 PolarHBondContact O-N 3.01Å; G294-S297 WeakPolarHBondContact CA-OG 3.22Å; G294-S297 PolarHBondContact O-N 3.24Å; G294-S297 PolarHBondContact O-OG 3.3Å; G294-S297 VanDerWaalsContact O-OG 3.08Å; G294-R298 WeakPolarHBondContact O-CG 3.47Å; G294-R298 PolarHBondContact O-N 2.96Å
295I92.4Very high85.3Confident6 Ų625.6 Ų25.63%0.03114%0.139CC..Hα-helixtrans-62.8-39.7-179.8-61.2163.9000111N291 F292 G299 L300 L349 M406N291-I295 HydrophobicContact CB-CD1 4.17Å; N291-I295 WeakPolarHBondContact O-CG1 3.31Å; N291-I295 PolarHBondContact O-N 3.35Å; F292-I295 HydrophobicContact CD2-CD1 4.29Å; F292-I295 HydrophobicContact CE2-CD1 4.4Å; F292-I295 HydrophobicContact CG-CD1 4.47Å; F292-I295 PolarHBondContact O-N 3.09Å; I295-G299 WeakPolarHBondContact O-CA 3.26Å; I295-G299 PolarHBondContact O-N 3.17Å; I295-L300 HydrophobicContact CD1-CD2 4.33Å; I295-L300 HydrophobicContact CG1-CD2 4.26Å; I295-L300 HydrophobicContact CG2-CD2 3.86Å; I295-L300 HydrophobicContact CG2-CG 4.34Å; I295-L349 HydrophobicContact CG2-CD1 3.7Å; I295-M406 HydrophobicContact CG2-CE 4.26Å; I295-M406 HydrophobicContact CG2-SD 3.62Å; I295-M406 WeakPolarHBondContact O-CE 3.44Å
296M92.1Very high82.6Confident0 Ų025.7 Ų25.70%015%0.15CC..Hα-helixtrans-66.3-44.3174.9-66.1-60.499.500111.3L123 L230 C232 V264 R266 F292 G294 L349 M406 I409L123-M296 HydrophobicContact CD1-CG 3.92Å; L230-M296 HydrophobicContact CB-CB 4.21Å; L230-M296 HydrophobicContact CD1-CB 4.4Å; L230-M296 HydrophobicContact CD2-CB 4.23Å; L230-M296 CarbonylContact O-C 3.6Å; L230-M296 VanDerWaalsContact O-C 3.27Å; C232-M296 HydrophobicContact CB-CB 4.06Å; C232-M296 WeakPolarHBondContact CB-O 3.3Å; C232-M296 HydrophobicContact CB-SD 4.43Å; V264-M296 HydrophobicContact CB-SD 4.49Å; V264-M296 HydrophobicContact CG1-SD 3.93Å; R266-M296 VanDerWaalsContact CD-O 3.29Å; R266-M296 WeakPolarHBondContact CD-O 3.43Å; R266-M296 PolarHBondContact NE-O 3.34Å; R266-M296 VanDerWaalsContact NE-O 3.09Å; F292-M296 HydrophobicContact CD1-CE 4.18Å; F292-M296 WeakPolarHBondContact O-CB 3.34Å; F292-M296 WeakPolarHBondContact O-CG 3.33Å; F292-M296 PolarHBondContact O-N 3.02Å; G294-M296 VanDerWaalsContact C-N 3.31Å; G294-M296 PolarHBondContact O-N 3.01Å; M296-L349 HydrophobicContact CE-CD2 3.87Å; M296-M406 HydrophobicContact CE-CE 4.03Å; M296-M406 HydrophobicContact CE-SD 3.94Å; M296-I409 HydrophobicContact CE-CD1 4.34Å
297S86.9Confident80.2Confident16 Ų1626.1 Ų26.111%0.11215%0.152CC..Hα-helixtrans-68.6-55.3-177.768.20000114.4L230 R266 V293 G294L230-S297 WeakPolarHBondContact O-CA 3.17Å; L230-S297 PolarHBondContact O-N 2.75Å; R266-S297 PolarHBondContact NH2-O 2.8Å; V293-S297 WeakPolarHBondContact O-CB 3.29Å; V293-S297 PolarHBondContact O-N 3.27Å; V293-S297 PolarHBondContact O-OG 2.89Å; G294-S297 WeakPolarHBondContact CA-OG 3.22Å; G294-S297 PolarHBondContact O-N 3.24Å; G294-S297 PolarHBondContact O-OG 3.3Å; G294-S297 VanDerWaalsContact O-OG 3.08Å
298R86.5Confident77.7Confident60 Ų6028 Ų2823%0.22616%0.159CC..Hα-helixtrans-106.3-10-173.555.6157.1176.369.9-4.2114.8D207 R266 G294D207-R298 VanDerWaalsContact CG-NE 3.31Å; D207-R298 WeakPolarHBondContact OD1-CD 3.39Å; D207-R298 IonicContact OD1-CZ 3.54Å; D207-R298 IonicContact OD1-NE 2.88Å; D207-R298 PolarHBondContact OD1-NE 2.76Å; D207-R298 IonicContact OD1-NH2 2.85Å; D207-R298 IonicContact OD2-CZ 3.36Å; D207-R298 VanDerWaalsContact OD2-CZ 3.28Å; D207-R298 IonicContact OD2-NE 3.64Å; D207-R298 PolarHBondContact OD2-NE 3.48Å; D207-R298 VanDerWaalsContact OD2-NE 3.13Å; D207-R298 IonicContact OD2-NH2 2.87Å; D207-R298 PolarHBondContact OD2-NH2 3.19Å; R266-R298 PolarHBondContact NH1-O 3.01Å; R266-R298 PolarHBondContact NH2-O 3.35Å; G294-R298 WeakPolarHBondContact O-CG 3.47Å; G294-R298 PolarHBondContact O-N 2.96Å
299G89Confident75Confident1 Ų135.2 Ų35.21%0.0119%0.189CC..  trans89.2-174.4-176.600000112.4R266 I295R266-G299 VanDerWaalsContact CZ-CA 3.48Å; I295-G299 WeakPolarHBondContact O-CA 3.26Å; I295-G299 PolarHBondContact O-N 3.17Å
300L90.2Very high72.4Confident15 Ų1540 Ų408%0.07921%0.211CC..  trans-67.2149.2169.6-66.2174.2000109.9H285 I295 I324 F326 L349 L401 V404H285-L300 WeakPolarHBondContact NE2-CD2 3.33Å; I295-L300 HydrophobicContact CD1-CD2 4.33Å; I295-L300 HydrophobicContact CG1-CD2 4.26Å; I295-L300 HydrophobicContact CG2-CD2 3.86Å; I295-L300 HydrophobicContact CG2-CG 4.34Å; L300-I324 HydrophobicContact CB-CG2 4.46Å; L300-I324 HydrophobicContact CD1-CG2 4.02Å; L300-F326 HydrophobicContact CD1-CE1 4.16Å; L300-F326 HydrophobicContact CD1-CZ 3.95Å; L300-L349 HydrophobicContact CD2-CD1 4.37Å; L300-L401 WeakPolarHBondContact O-CD2 3.08Å; L300-V404 HydrophobicContact CD1-CG1 4.13Å
301L84.7Confident69.7Low69 Ų6942.9 Ų42.936%0.36124%0.241SC..  trans-112.6148.8174.9-72.1176.1000109.5Q203Q203-L301 HydrophobicContact CG-CD1 4.17Å
302L80.1Confident67.3Low46 Ų4642.3 Ų42.324%0.24124%0.238CC..  trans-65.9147.6159.8-73.6164.7000108.6H304 I324 L401L302-H304 PolarHBondContact O-N 3.36Å; L302-I324 HydrophobicContact CD2-CD1 4.2Å; L302-I324 HydrophobicContact CD2-CG1 3.79Å; L302-I324 HydrophobicContact CG-CD1 4.46Å; L302-I324 HydrophobicContact CG-CG1 4.42Å; L302-L401 HydrophobicContact CD1-CG 4.33Å; L302-L401 HydrophobicContact CG-CD2 4.39Å; L302-L401 HydrophobicContact CG-CG 4.27Å
303P68.9Low64.5Low31 Ų3146.8 Ų46.820%0.20127%0.265CS..SBendtrans-50.4140.1167.4-23.433.9000110.3V305P303-V305 WeakPolarHBondContact O-CG2 3.23Å; P303-V305 PolarHBondContact O-N 3.04Å
304H59.2Low62.1Low62 Ų6250 Ų5029%0.28728%0.277SS..  trans-52.6111.4-171.7-68.5-83.9000113Q203 L302 G306Q203-H304 PolarHBondContact OE1-CE1 2.97Å; L302-H304 PolarHBondContact O-N 3.36Å; H304-G306 VanDerWaalsContact C-N 3.26Å; H304-G306 PolarHBondContact O-N 3.06Å
305V40.1Very low59.8Low81 Ų8155.4 Ų55.449%0.49131%0.31SS..G310 helixtrans-74.5-9.2-175.2-173.70000113.1P303 V307 E308P303-V305 WeakPolarHBondContact O-CG2 3.23Å; P303-V305 PolarHBondContact O-N 3.04Å; V305-V307 PolarHBondContact O-N 3.22Å; V305-E308 HydrophobicContact CG1-CB 4.44Å; V305-E308 PolarHBondContact O-N 3.02Å
306G39.2Very low57.5Low37 Ų3758.1 Ų58.138%0.38133%0.325SS..G310 helixtrans-59.7-13.9176.200000114.5H304H304-G306 VanDerWaalsContact C-N 3.26Å; H304-G306 PolarHBondContact O-N 3.06Å
307V39.7Very low55.8Low16 Ų1658.6 Ų58.610%0.09733%0.328CS..G310 helixtrans-86.7-15.4179.5-1720000112.5L155 V305 I312L155-V307 HydrophobicContact CD2-CG2 4.18Å; V305-V307 PolarHBondContact O-N 3.22Å; V307-I312 HydrophobicContact CG1-CB 3.87Å; V307-I312 HydrophobicContact CG1-CD1 4.09Å; V307-I312 HydrophobicContact CG1-CG1 4.2Å
308E38.7Very low54.8Low57 Ų5758.8 Ų58.827%0.26633%0.333SS..G310 helixtrans-88.8-19.4-162.7-64.3-167.2162.200115.6V305 H310 S322 T369V305-E308 HydrophobicContact CG1-CB 4.44Å; V305-E308 PolarHBondContact O-N 3.02Å; E308-H310 PolarHBondContact O-N 3.48Å; E308-S322 WeakPolarHBondContact OE1-CB 3.46Å; E308-S322 PolarHBondContact OE1-OG 3.22Å; E308-T369 HydrophobicContact CG-CG2 4.23Å; E308-T369 WeakPolarHBondContact OE1-CG2 3.45Å; E308-T369 WeakPolarHBondContact OE2-CB 3.36Å; E308-T369 WeakPolarHBondContact OE2-CG2 3.22Å
309H34.3Very low54.7Low181 Ų18157.9 Ų57.984%0.83833%0.332SS*.G310 helixtrans-66.9-6.3172.4-76.6-44.4000114
310H38.3Very low54.6Low103 Ų10357.8 Ų57.848%0.47733%0.332SS..G310 helixtrans-126.817.4-170.5-58.991.3000114.6K162 E308 I312K162-H310 PolarHBondContact NZ-O 3.13Å; K162-H310 VanDerWaalsContact NZ-O 3.17Å; E308-H310 PolarHBondContact O-N 3.48Å; H310-I312 PolarHBondContact O-N 3.15Å
311G37.1Very low54.4Low66 Ų6657.1 Ų57.168%0.6833%0.328SS*.THydrogen-bonded Turntrans57.449.8168.300000114.2K162K162-G311 PolarHBondContact NZ-O 2.84Å
312I41.3Very low54.2Low42 Ų4254.9 Ų54.922%0.21532%0.318CS..  trans-108.5123.9178.2-42.8-171.6000109.9K162 V307 H310K162-I312 HydrophobicContact CD-CB 4.44Å; K162-I312 HydrophobicContact CD-CD1 3.74Å; K162-I312 HydrophobicContact CD-CG1 3.71Å; K162-I312 HydrophobicContact CD-CG2 4.17Å; V307-I312 HydrophobicContact CG1-CB 3.87Å; V307-I312 HydrophobicContact CG1-CD1 4.09Å; V307-I312 HydrophobicContact CG1-CG1 4.2Å; H310-I312 PolarHBondContact O-N 3.15Å
313T35.5Very low54.6Low94 Ų9452.8 Ų52.858%0.57731%0.308SS*.  trans-81.9119.6163.743.60000109.4T367T313-T367 HydrophobicContact CG2-CG2 4.39Å
314R41.7Very low55.6Low66 Ų6651.6 Ų51.625%0.24930%0.3CS..  trans-67.8162.5169.8-33.4-175.2-57.1164.48.1111D316 V317R314-D316 VanDerWaalsContact C-N 3.34Å; R314-D316 WeakPolarHBondContact CB-OD1 3.35Å; R314-D316 WeakPolarHBondContact CD-OD1 3.3Å; R314-D316 IonicContact CZ-OD1 2.66Å; R314-D316 IonicContact CZ-OD2 3.76Å; R314-D316 IonicContact NE-OD1 2.81Å; R314-D316 PolarHBondContact NE-OD1 3.16Å; R314-D316 IonicContact NE-OD2 3.39Å; R314-D316 IonicContact NH1-OD1 3.56Å; R314-D316 IonicContact NH1-OD2 2.91Å; R314-D316 PolarHBondContact NH1-OD2 3.15Å; R314-D316 PolarHBondContact NH2-O 3.26Å; R314-D316 IonicContact NH2-OD1 2.85Å; R314-D316 PolarHBondContact NH2-OD1 3.23Å; R314-D316 IonicContact NH2-OD2 3.52Å; R314-D316 PolarHBondContact NH2-OD2 2.78Å; R314-V317 HydrophobicContact CB-CG2 3.44Å; R314-V317 VanDerWaalsContact CB-CG2 3.44Å; R314-V317 HydrophobicContact CG-CG2 3.6Å; R314-V317 VanDerWaalsContact N-CG2 3.31Å
315T39.8Very low57.2Low114 Ų11451 Ų5170%0.69930%0.295SS*.SBendtrans-85.3-6.3166.144.40000113.6
316D44.8Very low59.8Low63 Ų6347.5 Ų47.534%0.33727%0.273SS..SBendtrans-118.78.3176.866.3-34.3000112.3S196 R314 G318S196-D316 PolarHBondContact OG-OD2 2.8Å; R314-D316 VanDerWaalsContact C-N 3.34Å; R314-D316 WeakPolarHBondContact CB-OD1 3.35Å; R314-D316 WeakPolarHBondContact CD-OD1 3.3Å; R314-D316 IonicContact CZ-OD1 2.66Å; R314-D316 IonicContact CZ-OD2 3.76Å; R314-D316 IonicContact NE-OD1 2.81Å; R314-D316 PolarHBondContact NE-OD1 3.16Å; R314-D316 IonicContact NE-OD2 3.39Å; R314-D316 IonicContact NH1-OD1 3.56Å; R314-D316 IonicContact NH1-OD2 2.91Å; R314-D316 PolarHBondContact NH1-OD2 3.15Å; R314-D316 PolarHBondContact NH2-O 3.26Å; R314-D316 IonicContact NH2-OD1 2.85Å; R314-D316 PolarHBondContact NH2-OD1 3.23Å; R314-D316 IonicContact NH2-OD2 3.52Å; R314-D316 PolarHBondContact NH2-OD2 2.78Å; D316-G318 PolarHBondContact O-N 3.3Å
317V56.5Low62.3Low11 Ų1145.8 Ų45.87%0.06726%0.256CS..  trans-51.1121.6164.1-170.20000105.1R314 G321 L366R314-V317 HydrophobicContact CB-CG2 3.44Å; R314-V317 VanDerWaalsContact CB-CG2 3.44Å; R314-V317 HydrophobicContact CG-CG2 3.6Å; R314-V317 VanDerWaalsContact N-CG2 3.31Å; V317-G321 WeakPolarHBondContact CG1-O 3.33Å; V317-L366 HydrophobicContact CB-CB 4.15Å; V317-L366 HydrophobicContact CB-CD2 4.2Å; V317-L366 HydrophobicContact CG1-CB 4.13Å
318G64.9Low64.8Low20 Ų2048.5 Ų48.521%0.20627%0.27CS..BIsolated β-bridgetrans-56.3173.2175.400000109D316 L320 G321 Y325D316-G318 PolarHBondContact O-N 3.3Å; G318-L320 PolarHBondContact O-N 3.38Å; G318-G321 PolarHBondContact O-N 2.9Å; G318-Y325 VanDerWaalsContact CA-CZ 3.41Å; G318-Y325 WeakPolarHBondContact CA-OH 3.37Å; G318-Y325 PolarHBondContact O-OH 2.63Å
319N84.3Confident67.1Low40 Ų4047.2 Ų47.221%0.21427%0.269CS..THydrogen-bonded Turntrans-59-8.4-170.8-67.5-44.6000114.4R364 D365 F391 E395N319-R364 HydrophobicContact CB-CB 4.48Å; N319-R364 HydrophobicContact CB-CG 3.99Å; N319-R364 CarbonylContact O-C 3.51Å; N319-R364 WeakPolarHBondContact O-CA 3.44Å; N319-R364 WeakPolarHBondContact O-CB 3.49Å; N319-R364 WeakPolarHBondContact OD1-CD 3.35Å; N319-R364 PolarHBondContact OD1-NE 3.03Å; N319-D365 PolarHBondContact O-N 3.38Å; N319-F391 HydrophobicContact CB-CD1 4.14Å; N319-F391 HydrophobicContact CB-CE1 3.4Å; N319-F391 VanDerWaalsContact CB-CE1 3.4Å; N319-F391 HydrophobicContact CB-CZ 4.12Å; N319-E395 PolarHBondContact ND2-OE1 2.87Å; N319-E395 PolarHBondContact ND2-OE2 2.71Å
320L88.1Confident69.5Low0 Ų039 Ų390%023%0.232CC..THydrogen-bonded Turntrans-136.629.4-171.8-67.2173.7000113.5G318 Y325 L361 D365 V378 F391 E395 V397 Y399G318-L320 PolarHBondContact O-N 3.38Å; L320-Y325 WeakPolarHBondContact CA-OH 3.38Å; L320-Y325 HydrophobicContact CB-CE1 4.23Å; L320-Y325 PolarHBondContact N-OH 2.74Å; L320-L361 HydrophobicContact CD2-CB 4.24Å; L320-L361 HydrophobicContact CD2-CD1 3.7Å; L320-D365 CarbonylContact C-O 3.42Å; L320-D365 VanDerWaalsContact CA-O 3.25Å; L320-D365 WeakPolarHBondContact CA-O 3.31Å; L320-V378 HydrophobicContact CD1-CG1 3.99Å; L320-V378 HydrophobicContact CD2-CG1 3.92Å; L320-V378 HydrophobicContact CG-CG1 4.42Å; L320-F391 HydrophobicContact CD1-CE1 3.93Å; L320-F391 HydrophobicContact CD1-CZ 4.11Å; L320-F391 HydrophobicContact CD2-CE1 4.09Å; L320-F391 HydrophobicContact CD2-CE2 4.46Å; L320-F391 HydrophobicContact CD2-CZ 3.5Å; L320-F391 VanDerWaalsContact CD2-CZ 3.5Å; L320-F391 HydrophobicContact CG-CE1 3.75Å; L320-F391 HydrophobicContact CG-CZ 3.71Å; L320-E395 HydrophobicContact CD1-CB 4.43Å; L320-V397 HydrophobicContact CB-CB 4.45Å; L320-V397 HydrophobicContact CB-CG2 3.9Å; L320-V397 HydrophobicContact CD1-CG2 3.75Å; L320-V397 HydrophobicContact CG-CG2 4.45Å; L320-Y399 PolarHBondContact O-OH 3.06Å
321G84.8Confident71.6Confident1 Ų136.6 Ų36.61%0.0123%0.227CC..BIsolated β-bridgetrans92.3-165.7173.800000116V317 G318 G323 Y325 D365 L368V317-G321 WeakPolarHBondContact CG1-O 3.33Å; G318-G321 PolarHBondContact O-N 2.9Å; G321-G323 VanDerWaalsContact C-N 3.29Å; G321-G323 PolarHBondContact O-N 3.47Å; G321-G323 VanDerWaalsContact O-N 3.12Å; G321-Y325 PolarHBondContact N-OH 3Å; G321-Y325 WeakPolarHBondContact O-CE2 3.2Å; G321-Y325 PolarHBondContact O-OH 3.31Å; G321-D365 PolarHBondContact N-O 2.77Å; G321-D365 VanDerWaalsContact N-O 3.11Å; G321-L368 CarbonylContact C-O 3.57Å; G321-L368 WeakPolarHBondContact CA-O 2.92Å
322S81.3Confident73.7Confident21 Ų2134.1 Ų34.115%0.14720%0.198CC..SBendtrans-84.549.6-174.1-55.60000113.7E308 L368E308-S322 WeakPolarHBondContact OE1-CB 3.46Å; E308-S322 PolarHBondContact OE1-OG 3.22Å; S322-L368 PolarHBondContact N-O 3.44Å
323G87.9Confident75.7Confident2 Ų232.4 Ų32.42%0.02119%0.19CC..SBendtrans-110.3-176.7177.700000114.2G321 Y325 V398G321-G323 VanDerWaalsContact C-N 3.29Å; G321-G323 PolarHBondContact O-N 3.47Å; G321-G323 VanDerWaalsContact O-N 3.12Å; G323-Y325 VanDerWaalsContact O-CD2 3.24Å; G323-Y325 WeakPolarHBondContact O-CD2 3.37Å; G323-Y325 VanDerWaalsContact O-CE2 3.3Å; G323-Y325 WeakPolarHBondContact O-CE2 3.44Å; G323-V398 CarbonylContact C-O 3.51Å; G323-V398 VanDerWaalsContact CA-O 3.31Å; G323-V398 WeakPolarHBondContact CA-O 3.4Å
324I91.2Very high78Confident6 Ų629.9 Ų29.93%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-94.2123173.7-49.2174.5000108.4L300 L302 F326 V397 V398 L401 V404L300-I324 HydrophobicContact CB-CG2 4.46Å; L300-I324 HydrophobicContact CD1-CG2 4.02Å; L302-I324 HydrophobicContact CD2-CD1 4.2Å; L302-I324 HydrophobicContact CD2-CG1 3.79Å; L302-I324 HydrophobicContact CG-CD1 4.46Å; L302-I324 HydrophobicContact CG-CG1 4.42Å; I324-F326 HydrophobicContact CB-CE2 3.91Å; I324-F326 HydrophobicContact CB-CZ 4.46Å; I324-F326 HydrophobicContact CG2-CD2 4.37Å; I324-F326 HydrophobicContact CG2-CE2 3.45Å; I324-F326 VanDerWaalsContact CG2-CE2 3.45Å; I324-F326 HydrophobicContact CG2-CZ 3.57Å; I324-F326 WeakPolarHBondContact O-CD2 3.5Å; I324-V397 WeakPolarHBondContact O-CA 3.3Å; I324-V398 HydrophobicContact CB-CG2 3.99Å; I324-V398 HydrophobicContact CD1-CG2 4.48Å; I324-V398 PolarHBondContact N-O 2.98Å; I324-V398 PolarHBondContact O-N 2.93Å; I324-L401 HydrophobicContact CD1-CD2 3.67Å; I324-V404 HydrophobicContact CD1-CG2 4.22Å
325Y91.9Very high79.9Confident50 Ų5032.2 Ų32.220%0.19619%0.185CC..EExtended strand (participates in β ladder)trans-95.8135-171.7-72.3-106000112H285 G318 L320 G321 G323 V397H285-Y325 PolarHBondContact ND1-O 2.91Å; G318-Y325 VanDerWaalsContact CA-CZ 3.41Å; G318-Y325 WeakPolarHBondContact CA-OH 3.37Å; G318-Y325 PolarHBondContact O-OH 2.63Å; L320-Y325 WeakPolarHBondContact CA-OH 3.38Å; L320-Y325 HydrophobicContact CB-CE1 4.23Å; L320-Y325 PolarHBondContact N-OH 2.74Å; G321-Y325 PolarHBondContact N-OH 3Å; G321-Y325 WeakPolarHBondContact O-CE2 3.2Å; G321-Y325 PolarHBondContact O-OH 3.31Å; G323-Y325 VanDerWaalsContact O-CD2 3.24Å; G323-Y325 WeakPolarHBondContact O-CD2 3.37Å; G323-Y325 VanDerWaalsContact O-CE2 3.3Å; G323-Y325 WeakPolarHBondContact O-CE2 3.44Å; Y325-V397 HydrophobicContact CD1-CG2 3.49Å; Y325-V397 VanDerWaalsContact CD1-CG2 3.49Å; Y325-V397 HydrophobicContact CD2-CG2 4.4Å; Y325-V397 HydrophobicContact CE1-CG2 3.43Å; Y325-V397 VanDerWaalsContact CE1-CG2 3.43Å; Y325-V397 HydrophobicContact CE2-CG1 4.23Å; Y325-V397 HydrophobicContact CE2-CG2 4.33Å; Y325-V397 HydrophobicContact CG-CG2 3.98Å
326F94.8Very high82Confident7 Ų733.7 Ų33.73%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-134.6150.7176.9-62.3-85.4000110.6L283 L284 H285 L300 I324 C351 V353 Y396 V398 V404L283-F326 HydrophobicContact CB-CB 3.75Å; L283-F326 HydrophobicContact CB-CD1 4.21Å; L283-F326 HydrophobicContact CB-CG 4.24Å; L283-F326 HydrophobicContact CD1-CB 3.84Å; L283-F326 HydrophobicContact CD1-CG 4.46Å; L283-F326 HydrophobicContact CG-CB 4.44Å; L284-F326 WeakPolarHBondContact O-CA 3.3Å; H285-F326 HydrophobicContact CB-CD1 3.84Å; H285-F326 HydrophobicContact CB-CE1 3.83Å; L300-F326 HydrophobicContact CD1-CE1 4.16Å; L300-F326 HydrophobicContact CD1-CZ 3.95Å; I324-F326 HydrophobicContact CB-CE2 3.91Å; I324-F326 HydrophobicContact CB-CZ 4.46Å; I324-F326 HydrophobicContact CG2-CD2 4.37Å; I324-F326 HydrophobicContact CG2-CE2 3.45Å; I324-F326 VanDerWaalsContact CG2-CE2 3.45Å; I324-F326 HydrophobicContact CG2-CZ 3.57Å; I324-F326 WeakPolarHBondContact O-CD2 3.5Å; F326-C351 HydrophobicContact CD1-CB 4.49Å; F326-C351 HydrophobicContact CE1-CB 3.81Å; F326-V353 HydrophobicContact CD1-CG2 3.78Å; F326-V353 HydrophobicContact CD2-CG1 4.26Å; F326-V353 HydrophobicContact CD2-CG2 4.01Å; F326-V353 HydrophobicContact CE1-CG2 3.77Å; F326-V353 HydrophobicContact CE2-CG1 4.32Å; F326-V353 HydrophobicContact CE2-CG2 4Å; F326-V353 HydrophobicContact CG-CG2 3.91Å; F326-V353 HydrophobicContact CZ-CG2 3.89Å; F326-Y396 PolarHBondContact N-O 2.83Å; F326-Y396 PolarHBondContact O-N 3.32Å; F326-V398 HydrophobicContact CD2-CG2 4.47Å; F326-V398 HydrophobicContact CE2-CG2 3.84Å; F326-V404 HydrophobicContact CE1-CG1 4.25Å; F326-V404 HydrophobicContact CE2-CG2 3.78Å; F326-V404 HydrophobicContact CZ-CB 4.33Å; F326-V404 HydrophobicContact CZ-CG1 3.63Å; F326-V404 HydrophobicContact CZ-CG2 3.65Å
327G92.6Very high83.9Confident2 Ų230.8 Ų30.82%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-124.5162.5171.200000111.8L284 T332L284-G327 WeakPolarHBondContact CB-O 3.35Å; L284-G327 PolarHBondContact N-O 3.26Å; L284-G327 PolarHBondContact O-N 3.33Å; G327-T332 WeakPolarHBondContact CA-OG1 3.14Å
328D90.6Very high85.5Confident72 Ų7236.8 Ų36.839%0.38519%0.188SC..SBendtrans-101.3-0.5173.762.25000113.3L283 Y396L283-D328 HydrophobicContact CD2-CB 4.01Å; D328-Y396 HydrophobicContact CB-CE2 4.06Å; D328-Y396 PolarHBondContact OD2-OH 2.99Å
329A87.8Confident86.8Confident31 Ų3138.5 Ų38.526%0.25620%0.196SC..SBendtrans-125.4153.6179.300000111.9S331 T332A329-S331 VanDerWaalsContact C-N 3.28Å; A329-S331 PolarHBondContact O-N 3.12Å; A329-T332 PolarHBondContact O-N 3.28Å; A329-T332 PolarHBondContact O-OG1 3.4Å
330V84.7Confident87.2Confident9 Ų936.7 Ų36.76%0.05519%0.186CC..Hα-helixtrans-69.5-30.4178.1-176.30000111.6L251 V256 L284 T332 S333 L334L251-V330 HydrophobicContact CB-CG2 4.16Å; L251-V330 HydrophobicContact CD2-CG2 3.63Å; L251-V330 HydrophobicContact CG-CG2 4.41Å; V256-V330 HydrophobicContact CG2-CG1 3.87Å; L284-V330 HydrophobicContact CD1-CG2 4.07Å; V330-T332 VanDerWaalsContact C-N 3.27Å; V330-T332 PolarHBondContact O-N 2.91Å; V330-S333 PolarHBondContact O-N 2.69Å; V330-S333 VanDerWaalsContact O-N 3.1Å; V330-L334 HydrophobicContact CG1-CD1 3.87Å; V330-L334 HydrophobicContact CG1-CD2 4.35Å; V330-L334 HydrophobicContact CG1-CG 3.74Å; V330-L334 WeakPolarHBondContact O-CB 3.34Å; V330-L334 VanDerWaalsContact O-CG 3.3Å; V330-L334 WeakPolarHBondContact O-CG 3.39Å; V330-L334 PolarHBondContact O-N 3.13Å
331S81.8Confident87.4Confident52 Ų5242.7 Ų42.736%0.36421%0.214SC..Hα-helixtrans-56.2-37.4177.354.20000113.3A329 D393A329-S331 VanDerWaalsContact C-N 3.28Å; A329-S331 PolarHBondContact O-N 3.12Å; S331-D393 PolarHBondContact OG-OD1 3.14Å
332T81.6Confident87.7Confident13 Ų1344.1 Ų44.18%0.0822%0.223CC..Hα-helixtrans-66.4-41.5177430000112.2G327 A329 V330 D393G327-T332 WeakPolarHBondContact CA-OG1 3.14Å; A329-T332 PolarHBondContact O-N 3.28Å; A329-T332 PolarHBondContact O-OG1 3.4Å; V330-T332 VanDerWaalsContact C-N 3.27Å; V330-T332 PolarHBondContact O-N 2.91Å; T332-D393 HydrophobicContact CG2-CB 3.08Å
333S83Confident88.2Confident6 Ų643.8 Ų43.84%0.04222%0.219CC..Hα-helixtrans-84.1-28.2-173.2-52.80000112.1L284 S286 V330 K335 Y336 A337L284-S333 WeakPolarHBondContact CB-OG 3.07Å; S286-S333 WeakPolarHBondContact CB-O 3.12Å; S286-S333 WeakPolarHBondContact OG-CB 3.38Å; V330-S333 PolarHBondContact O-N 2.69Å; V330-S333 VanDerWaalsContact O-N 3.1Å; S333-K335 PolarHBondContact O-N 2.81Å; S333-Y336 PolarHBondContact O-N 3.28Å; S333-A337 PolarHBondContact O-N 3.44Å; S333-A337 VanDerWaalsContact O-N 3.16Å
334L83.8Confident88.4Confident41 Ų4143.8 Ų43.822%0.21522%0.22CC..Hα-helixtrans-58.2-30.1176.9-81.9171.8000113.6V330 Y336 A337 F412 V414V330-L334 HydrophobicContact CG1-CD1 3.87Å; V330-L334 HydrophobicContact CG1-CD2 4.35Å; V330-L334 HydrophobicContact CG1-CG 3.74Å; V330-L334 WeakPolarHBondContact O-CB 3.34Å; V330-L334 VanDerWaalsContact O-CG 3.3Å; V330-L334 WeakPolarHBondContact O-CG 3.39Å; V330-L334 PolarHBondContact O-N 3.13Å; L334-Y336 PolarHBondContact O-N 3.27Å; L334-Y336 VanDerWaalsContact O-N 3.13Å; L334-A337 PolarHBondContact O-N 2.77Å; L334-F412 HydrophobicContact CD2-CE2 3.7Å; L334-F412 HydrophobicContact CD2-CZ 3.98Å; L334-V414 HydrophobicContact CD2-CG1 3.75Å
335K81.6Confident88.5Confident115 Ų11543.5 Ų43.550%0.522%0.218SC..THydrogen-bonded Turntrans-57.1-26.2175.6-67170.9177.6170.80112.2S333 E392 D393S333-K335 PolarHBondContact O-N 2.81Å; K335-E392 IonicContact NZ-OE2 3.45Å; K335-E392 PolarHBondContact NZ-OE2 2.94Å; K335-D393 IonicContact NZ-OD2 3.46Å; K335-D393 PolarHBondContact NZ-OD2 3.28Å
336Y83.3Confident88.6Confident145 Ų14543.1 Ų43.157%0.56922%0.216SC*.THydrogen-bonded Turntrans-114.2-13.8-174.3-55.4-81.2000113.8S286 S287 S333 L334 K338S286-Y336 WeakPolarHBondContact O-CB 3.4Å; S287-Y336 CarbonylContact C-O 3.58Å; S333-Y336 PolarHBondContact O-N 3.28Å; L334-Y336 PolarHBondContact O-N 3.27Å; L334-Y336 VanDerWaalsContact O-N 3.13Å; Y336-K338 PolarHBondContact O-N 2.79Å
337A85.6Confident88.6Confident2 Ų242.8 Ų42.82%0.01722%0.215CC..  trans-84.193.117800000110.8S333 L334 R346 F412S333-A337 PolarHBondContact O-N 3.44Å; S333-A337 VanDerWaalsContact O-N 3.16Å; L334-A337 PolarHBondContact O-N 2.77Å; A337-R346 HydrophobicContact CB-CB 4.41Å; A337-R346 PolarHBondContact O-NH1 2.63Å; A337-F412 HydrophobicContact CB-CZ 4.11Å
338K90.1Very high88.7Confident138 Ų13842.7 Ų42.760%0.621%0.214SC*.PPolyproline II helixtrans-77.7148.4173.4-67.3-177.9-178.3177.20111.3P289 Y336P289-K338 VanDerWaalsContact CD-O 3.28Å; P289-K338 WeakPolarHBondContact CD-O 3.29Å; P289-K338 VanDerWaalsContact CG-O 3.24Å; P289-K338 WeakPolarHBondContact CG-O 3.27Å; Y336-K338 PolarHBondContact O-N 2.79Å
339P92.8Very high88.9Confident55 Ų5539.2 Ų39.236%0.35720%0.196SC..PPolyproline II helixtrans-69.5138.8171.930.6-32.4000110R346P339-R346 HydrophobicContact CB-CG 4.27Å
340S92.1Very high89.3Confident3 Ų337.8 Ų37.82%0.02118%0.184CC..PPolyproline II helixtrans-58.3132.4174.7156.20000110.5E126 T342 D343 G344 S345E126-S340 WeakPolarHBondContact OE1-CA 3.43Å; E126-S340 PolarHBondContact OE2-OG 3.29Å; S340-T342 PolarHBondContact O-N 2.78Å; S340-T342 PolarHBondContact OG-N 2.92Å; S340-D343 WeakPolarHBondContact CB-OD1 3.47Å; S340-D343 PolarHBondContact OG-N 3.34Å; S340-D343 VanDerWaalsContact OG-N 3.08Å; S340-D343 PolarHBondContact OG-OD1 3.38Å; S340-G344 VanDerWaalsContact O-CA 3.25Å; S340-G344 WeakPolarHBondContact O-CA 3.25Å; S340-G344 PolarHBondContact O-N 3.26Å; S340-S345 WeakPolarHBondContact CB-O 3.48Å; S340-S345 PolarHBondContact N-O 2.84Å
341E91.4Very high89.8Confident126 Ų12637.4 Ų37.459%0.58918%0.181SC*.THydrogen-bonded Turntrans-68.3-26.6174.4-69.3-169.2179.200111.3E126 K420E126-E341 PolarHBondContact OE1-N 2.97Å; E126-E341 PolarHBondContact OE2-N 3.37Å; E341-K420 VanDerWaalsContact O-CD 3.29Å; E341-K420 WeakPolarHBondContact O-CD 3.47Å; E341-K420 PolarHBondContact O-NZ 3.08Å
342T91.6Very high90.5Very high31 Ų3135.8 Ų35.819%0.1917%0.169CC..THydrogen-bonded Turntrans-77.2-54.4-176.2-54.50000113.2L122 T125 E126 S340 K420 F422L122-T342 HydrophobicContact CD1-CG2 3.61Å; T125-T342 HydrophobicContact CG2-CG2 3.96Å; E126-T342 WeakPolarHBondContact OE2-CB 3.22Å; E126-T342 PolarHBondContact OE2-N 3.2Å; E126-T342 VanDerWaalsContact OE2-N 3.12Å; E126-T342 PolarHBondContact OE2-OG1 3.49Å; S340-T342 PolarHBondContact O-N 2.78Å; S340-T342 PolarHBondContact OG-N 2.92Å; T342-K420 WeakPolarHBondContact O-CB 3.43Å; T342-F422 HydrophobicContact CG2-CB 4.38Å; T342-F422 HydrophobicContact CG2-CD1 4.39Å; T342-F422 HydrophobicContact CG2-CD2 3.35Å; T342-F422 HydrophobicContact CG2-CE2 3.56Å; T342-F422 HydrophobicContact CG2-CG 3.8Å; T342-F422 HydrophobicContact CG2-CZ 4.16Å
343D92Very high91.2Very high13 Ų1335.2 Ų35.27%0.0717%0.165CC..THydrogen-bonded Turntrans-125.9-1.8-171.181.2-28.2000114L122 S340 S345 Q411 R413 K420 F422L122-D343 HydrophobicContact CD1-CB 4.05Å; L122-D343 WeakPolarHBondContact CD2-OD2 3.37Å; S340-D343 WeakPolarHBondContact CB-OD1 3.47Å; S340-D343 PolarHBondContact OG-N 3.34Å; S340-D343 VanDerWaalsContact OG-N 3.08Å; S340-D343 PolarHBondContact OG-OD1 3.38Å; D343-S345 PolarHBondContact O-N 3.44Å; D343-S345 WeakPolarHBondContact OD1-CB 3.29Å; D343-S345 PolarHBondContact OD1-N 3.05Å; D343-S345 PolarHBondContact OD1-OG 2.86Å; D343-S345 WeakPolarHBondContact OD2-CB 3.48Å; D343-S345 PolarHBondContact OD2-OG 2.84Å; D343-Q411 PolarHBondContact OD2-NE2 2.99Å; D343-R413 PolarHBondContact O-NH2 2.96Å; D343-K420 PolarHBondContact O-N 2.85Å; D343-F422 HydrophobicContact CB-CB 3.93Å
344G91.9Very high91.9Very high3 Ų334.9 Ų34.93%0.03116%0.163CC..SBendtrans72.47.9-178.900000115S340 E418S340-G344 VanDerWaalsContact O-CA 3.25Å; S340-G344 WeakPolarHBondContact O-CA 3.25Å; S340-G344 PolarHBondContact O-N 3.26Å; G344-E418 WeakPolarHBondContact CA-O 3.26Å
345S92.9Very high92.5Very high0 Ų033 Ų330%015%0.153CC..  trans-81.8157.5175.3710000112.4S340 D343 F347 Q411S340-S345 WeakPolarHBondContact CB-O 3.48Å; S340-S345 PolarHBondContact N-O 2.84Å; D343-S345 PolarHBondContact O-N 3.44Å; D343-S345 WeakPolarHBondContact OD1-CB 3.29Å; D343-S345 PolarHBondContact OD1-N 3.05Å; D343-S345 PolarHBondContact OD1-OG 2.86Å; D343-S345 WeakPolarHBondContact OD2-CB 3.48Å; D343-S345 PolarHBondContact OD2-OG 2.84Å; S345-F347 WeakPolarHBondContact OG-CE1 2.85Å; S345-Q411 PolarHBondContact OG-NE2 2.93Å
346R93.9Very high93.2Very high41 Ų4127.9 Ų27.916%0.15513%0.132CC..EExtended strand (participates in β ladder)trans-113.5150.5173.8-64.7-178-174.2-125.23.5109.4A337 P339 Q411 F412 D417A337-R346 HydrophobicContact CB-CB 4.41Å; A337-R346 PolarHBondContact O-NH1 2.63Å; P339-R346 HydrophobicContact CB-CG 4.27Å; R346-Q411 WeakPolarHBondContact O-CA 3.49Å; R346-F412 HydrophobicContact CB-CD1 4.12Å; R346-F412 HydrophobicContact CB-CD2 4.26Å; R346-F412 HydrophobicContact CB-CE1 3.67Å; R346-F412 HydrophobicContact CB-CE2 3.86Å; R346-F412 HydrophobicContact CB-CG 4.41Å; R346-F412 HydrophobicContact CB-CZ 3.55Å; R346-F412 HydrophobicContact CG-CZ 4.49Å; R346-F412 PolarHBondContact N-O 2.71Å; R346-F412 WeakPolarHBondContact O-CD1 3.34Å; R346-F412 PolarHBondContact O-N 2.75Å; R346-D417 IonicContact CZ-OD1 3.44Å; R346-D417 IonicContact CZ-OD2 2.71Å; R346-D417 IonicContact NE-OD1 2.87Å; R346-D417 PolarHBondContact NE-OD1 2.8Å; R346-D417 IonicContact NE-OD2 3.26Å; R346-D417 PolarHBondContact NE-OD2 3.22Å; R346-D417 IonicContact NH2-OD1 3.12Å; R346-D417 PolarHBondContact NH2-OD1 3.17Å; R346-D417 IonicContact NH2-OD2 3.47Å
347F94.8Very high93.8Very high0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-114.7140.1179.3-56-29.2000112.3F119 L122 L123 S286 P289 F292 S345 V410 Q411F119-F347 HydrophobicContact CE2-CD1 4.45Å; F119-F347 AromaticContact CE2-CE1 3.91Å; F119-F347 HydrophobicContact CE2-CE1 3.91Å; F119-F347 AromaticContact CE2-CZ 3.96Å; F119-F347 HydrophobicContact CE2-CZ 3.96Å; L122-F347 HydrophobicContact CD2-CE1 4.1Å; L122-F347 HydrophobicContact CD2-CZ 3.69Å; L122-F347 HydrophobicContact CG-CZ 4.13Å; L123-F347 HydrophobicContact CD2-CD2 4.25Å; L123-F347 HydrophobicContact CD2-CE2 3.57Å; L123-F347 HydrophobicContact CD2-CZ 4.14Å; S286-F347 PolarHBondContact OG-O 3.48Å; P289-F347 HydrophobicContact CB-CD2 3.87Å; P289-F347 HydrophobicContact CB-CE2 3.7Å; P289-F347 HydrophobicContact CG-CD2 4.21Å; P289-F347 HydrophobicContact CG-CE2 4.38Å; F292-F347 HydrophobicContact CB-CD2 4.27Å; F292-F347 HydrophobicContact CD1-CB 4.36Å; F292-F347 HydrophobicContact CD1-CD2 4.26Å; F292-F347 HydrophobicContact CD2-CB 4.1Å; F292-F347 AromaticContact CD2-CD2 3.67Å; F292-F347 HydrophobicContact CD2-CD2 3.67Å; F292-F347 HydrophobicContact CD2-CG 4.4Å; F292-F347 HydrophobicContact CE1-CB 3.82Å; F292-F347 HydrophobicContact CE2-CB 3.54Å; F292-F347 HydrophobicContact CE2-CD2 4Å; F292-F347 HydrophobicContact CE2-CG 4.3Å; F292-F347 HydrophobicContact CG-CB 4.47Å; F292-F347 AromaticContact CG-CD2 3.8Å; F292-F347 HydrophobicContact CG-CD2 3.8Å; F292-F347 HydrophobicContact CZ-CB 3.37Å; F292-F347 HydrophobicContact CZ-CD2 4.42Å; F292-F347 HydrophobicContact CZ-CG 4.38Å; S345-F347 WeakPolarHBondContact OG-CE1 2.85Å; F347-V410 WeakPolarHBondContact CA-O 3.23Å; F347-Q411 HydrophobicContact CD1-CB 4.41Å; F347-Q411 HydrophobicContact CD1-CG 4.23Å; F347-Q411 HydrophobicContact CE1-CB 4.49Å; F347-Q411 HydrophobicContact CE1-CG 3.96Å
348L94.6Very high94.3Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-137.6137.7173.5-178.3150.9000109.6L251 L284 V350 I409 V410 F412L251-L348 HydrophobicContact CD2-CD1 3.97Å; L251-L348 HydrophobicContact CD2-CD2 4.05Å; L284-L348 HydrophobicContact CB-CD1 4.27Å; L284-L348 HydrophobicContact CB-CD2 4.19Å; L284-L348 HydrophobicContact CB-CG 4.47Å; L284-L348 HydrophobicContact CD1-CD1 4.4Å; L284-L348 HydrophobicContact CD2-CD2 3.79Å; L284-L348 HydrophobicContact CG-CD2 4.44Å; L348-V350 HydrophobicContact CD2-CG2 3.91Å; L348-I409 CarbonylContact O-C 3.51Å; L348-I409 WeakPolarHBondContact O-CA 3.36Å; L348-V410 HydrophobicContact CB-CB 4.44Å; L348-V410 HydrophobicContact CD2-CG2 4.45Å; L348-V410 PolarHBondContact N-O 3.19Å; L348-V410 PolarHBondContact O-N 3.37Å; L348-F412 HydrophobicContact CB-CD1 4.26Å; L348-F412 HydrophobicContact CB-CE1 3.66Å
349L95.8Very high94.6Very high0 Ų022.8 Ų22.80%012%0.123CC..EExtended strand (participates in β ladder)trans-97.7137172.7-69.2170.1000110.6L284 H285 F292 I295 M296 L300 M406 Y408 I409L284-L349 CarbonylContact C-O 3.52Å; L284-L349 WeakPolarHBondContact CA-O 3.27Å; H285-L349 HydrophobicContact CB-CB 4.36Å; H285-L349 PolarHBondContact N-O 3.22Å; H285-L349 PolarHBondContact O-N 2.98Å; F292-L349 HydrophobicContact CE1-CD1 4.05Å; F292-L349 HydrophobicContact CE1-CD2 3.9Å; F292-L349 HydrophobicContact CE1-CG 3.71Å; F292-L349 HydrophobicContact CZ-CD1 4.42Å; F292-L349 HydrophobicContact CZ-CG 4.15Å; I295-L349 HydrophobicContact CG2-CD1 3.7Å; M296-L349 HydrophobicContact CE-CD2 3.87Å; L300-L349 HydrophobicContact CD2-CD1 4.37Å; L349-M406 HydrophobicContact CD1-SD 3.79Å; L349-M406 HydrophobicContact CD2-SD 4.11Å; L349-Y408 WeakPolarHBondContact CA-O 3.39Å; L349-I409 HydrophobicContact CD2-CB 4.04Å; L349-I409 HydrophobicContact CD2-CD1 4.27Å; L349-I409 HydrophobicContact CD2-CG1 4.21Å
350V95.6Very high94.8Very high1 Ų123.8 Ų23.81%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-106.5118164.1-174.40000107.2V247 L250 P282 L283 L284 L348 K407 Y408 V410V247-V350 HydrophobicContact CG1-CG2 4.16Å; L250-V350 HydrophobicContact CD1-CG1 3.99Å; P282-V350 HydrophobicContact CB-CG1 4.16Å; L283-V350 WeakPolarHBondContact O-CA 3.11Å; L284-V350 HydrophobicContact CD2-CG2 3.89Å; L348-V350 HydrophobicContact CD2-CG2 3.91Å; V350-K407 WeakPolarHBondContact O-CB 3.21Å; V350-K407 PolarHBondContact O-N 3.06Å; V350-Y408 HydrophobicContact CB-CD2 4.1Å; V350-Y408 HydrophobicContact CG1-CD2 4.22Å; V350-Y408 PolarHBondContact N-O 3.48Å; V350-Y408 PolarHBondContact O-N 2.99Å; V350-Y408 VanDerWaalsContact O-N 3.09Å; V350-V410 HydrophobicContact CG2-CG2 4.17Å
351C96.4Very high94.9Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-115.9139.7-177.8-58.90000110.2P282 L283 F326 V353 V404 K405P282-C351 CarbonylContact C-O 3.55Å; P282-C351 VanDerWaalsContact CA-O 3.31Å; P282-C351 WeakPolarHBondContact CA-O 2.96Å; L283-C351 PolarHBondContact N-O 3.12Å; L283-C351 PolarHBondContact O-N 2.91Å; F326-C351 HydrophobicContact CD1-CB 4.49Å; F326-C351 HydrophobicContact CE1-CB 3.81Å; C351-V353 HydrophobicContact CB-CG2 4.01Å; C351-V353 PolarHBondContact O-N 2.94Å; C351-V404 HydrophobicContact CB-CG1 4.08Å; C351-K405 CarbonylContact C-O 3.46Å; C351-K405 VanDerWaalsContact CA-O 3.27Å; C351-K405 WeakPolarHBondContact CA-O 3.36Å
352D95.8Very high95.1Very high19 Ų1924.4 Ų24.410%0.10213%0.125CC..EExtended strand (participates in β ladder)trans-75.1115.8161.4-71.9-21.2000106.8F273 V280 K405 K407F273-D352 WeakPolarHBondContact CE2-O 3.4Å; F273-D352 HydrophobicContact CZ-CB 4.01Å; V280-D352 HydrophobicContact CG1-CB 3.96Å; D352-K405 PolarHBondContact N-O 3.17Å; D352-K405 PolarHBondContact O-N 3.48Å; D352-K405 WeakPolarHBondContact OD2-CE 3.24Å; D352-K405 IonicContact OD2-NZ 3.4Å; D352-K405 PolarHBondContact OD2-NZ 3.21Å; D352-K407 VanDerWaalsContact CG-NZ 3.34Å; D352-K407 IonicContact OD1-NZ 2.71Å; D352-K407 PolarHBondContact OD1-NZ 3.49Å; D352-K407 IonicContact OD2-NZ 3.64Å; D352-K407 PolarHBondContact OD2-NZ 2.93Å
353V97.4Very high95.2Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-114.4118.2-177.7-175.80000109.6V280 K281 L283 F326 C351 L355 V398 Q403V280-V353 VanDerWaalsContact CA-O 3.31Å; V280-V353 WeakPolarHBondContact CA-O 3.42Å; K281-V353 PolarHBondContact N-O 3.03Å; K281-V353 PolarHBondContact O-N 3.48Å; L283-V353 HydrophobicContact CB-CG2 4.05Å; L283-V353 HydrophobicContact CD1-CB 3.94Å; L283-V353 HydrophobicContact CD1-CG1 4.27Å; L283-V353 HydrophobicContact CD1-CG2 4.1Å; L283-V353 HydrophobicContact CG-CB 4.43Å; L283-V353 HydrophobicContact CG-CG2 4.36Å; F326-V353 HydrophobicContact CD1-CG2 3.78Å; F326-V353 HydrophobicContact CD2-CG1 4.26Å; F326-V353 HydrophobicContact CD2-CG2 4.01Å; F326-V353 HydrophobicContact CE1-CG2 3.77Å; F326-V353 HydrophobicContact CE2-CG1 4.32Å; F326-V353 HydrophobicContact CE2-CG2 4Å; F326-V353 HydrophobicContact CG-CG2 3.91Å; F326-V353 HydrophobicContact CZ-CG2 3.89Å; C351-V353 HydrophobicContact CB-CG2 4.01Å; C351-V353 PolarHBondContact O-N 2.94Å; V353-L355 HydrophobicContact CG1-CD2 3.84Å; V353-L355 HydrophobicContact CG1-CG 4.34Å; V353-L355 PolarHBondContact O-N 3.03Å; V353-V398 HydrophobicContact CG1-CG1 3.7Å; V353-Q403 CarbonylContact C-O 3.54Å; V353-Q403 WeakPolarHBondContact CA-O 3.48Å
354A96.8Very high95.1Very high0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-82.392.9178.100000110F273 Q274 I277 V280 Q403F273-A354 HydrophobicContact CE2-CB 3.96Å; F273-A354 HydrophobicContact CZ-CB 4.02Å; Q274-A354 WeakPolarHBondContact O-CB 3.3Å; I277-A354 HydrophobicContact CD1-CB 3.66Å; I277-A354 WeakPolarHBondContact CD1-O 3.35Å; I277-A354 HydrophobicContact CG1-CB 3.78Å; V280-A354 HydrophobicContact CG2-CB 4.01Å; A354-Q403 PolarHBondContact N-O 3.3Å; A354-Q403 PolarHBondContact O-NE2 2.87Å
355L97Very high94.9Very high1 Ų137.5 Ų37.51%0.00518%0.177CC..  trans-77.8-22.9-175.4-65.5174000113.1N279 K281 L283 V353 V357 S377 Y396 V398N279-L355 HydrophobicContact CB-CB 4.4Å; N279-L355 WeakPolarHBondContact O-CB 3.43Å; N279-L355 PolarHBondContact O-N 2.95Å; N279-L355 VanDerWaalsContact O-N 3.14Å; K281-L355 HydrophobicContact CB-CD1 4.49Å; K281-L355 HydrophobicContact CD-CD1 3.8Å; K281-L355 HydrophobicContact CG-CD1 4.2Å; L283-L355 HydrophobicContact CD1-CD1 4.37Å; L283-L355 HydrophobicContact CD1-CD2 4.3Å; V353-L355 HydrophobicContact CG1-CD2 3.84Å; V353-L355 HydrophobicContact CG1-CG 4.34Å; V353-L355 PolarHBondContact O-N 3.03Å; L355-V357 PolarHBondContact O-N 2.96Å; L355-S377 WeakPolarHBondContact O-CB 3.48Å; L355-S377 PolarHBondContact O-OG 3.14Å; L355-Y396 HydrophobicContact CD1-CD1 3.71Å; L355-Y396 HydrophobicContact CD1-CE1 4Å; L355-Y396 HydrophobicContact CD1-CG 4.49Å; L355-Y396 HydrophobicContact CD2-CD1 4.14Å; L355-Y396 HydrophobicContact CD2-CG 4.49Å; L355-V398 HydrophobicContact CD2-CG1 4.27Å
356G95.8Very high94.5Very high7 Ų741.1 Ų41.17%0.07220%0.196CC..  trans49.2-138.1-173.100000112.8I277 G278 N279 C358I277-G356 WeakPolarHBondContact O-CA 3.43Å; G278-G356 WeakPolarHBondContact O-CA 3.49Å; G278-G356 PolarHBondContact O-N 3.42Å; N279-G356 WeakPolarHBondContact CB-O 3.16Å; N279-G356 PolarHBondContact ND2-O 3.25Å; G356-C358 PolarHBondContact O-N 2.75Å
357V96.1Very high93.9Very high76 Ų7643.9 Ų43.946%0.46122%0.218SC..SBendtrans-74.3109.5170.4-172.60000109.1L355 Y375 H376L355-V357 PolarHBondContact O-N 2.96Å; V357-Y375 HydrophobicContact CG1-CD1 3.71Å; V357-Y375 HydrophobicContact CG1-CE1 3.95Å; V357-Y375 WeakPolarHBondContact O-CA 3.26Å; V357-H376 WeakPolarHBondContact CB-ND1 3.25Å; V357-H376 PolarHBondContact N-ND1 2.99Å; V357-H376 PolarHBondContact O-N 3.11Å
358C95.4Very high93.4Very high31 Ų3144.9 Ų44.921%0.20922%0.223CC..EExtended strand (participates in β ladder)trans-103133.1-172.5-1700000112.1G356 S377 H379G356-C358 PolarHBondContact O-N 2.75Å; C358-S377 WeakPolarHBondContact CA-O 3.43Å; C358-S377 WeakPolarHBondContact CB-OG 3.47Å; C358-S377 PolarHBondContact SG-OG 3.35Å; C358-H379 WeakPolarHBondContact SG-CB 3.29Å
359K96.7Very high92.9Very high71 Ų7148.3 Ų48.331%0.30924%0.244SC..EExtended strand (participates in β ladder)trans-90.3115.6177.6-175.773.3-177.3-172.20110.7L361 Y375 S377 V378 H379K359-L361 HydrophobicContact CG-CD2 4.01Å; K359-L361 HydrophobicContact CG-CG 4.32Å; K359-L361 PolarHBondContact O-N 2.9Å; K359-Y375 HydrophobicContact CB-CD1 3.6Å; K359-Y375 HydrophobicContact CB-CD2 4.24Å; K359-Y375 HydrophobicContact CB-CE1 3.94Å; K359-Y375 HydrophobicContact CB-CG 3.76Å; K359-Y375 HydrophobicContact CD-CD1 4.12Å; K359-Y375 HydrophobicContact CD-CD2 4.03Å; K359-Y375 HydrophobicContact CD-CE1 3.65Å; K359-Y375 HydrophobicContact CD-CE2 3.56Å; K359-Y375 HydrophobicContact CD-CG 4.29Å; K359-Y375 HydrophobicContact CG-CD1 4.49Å; K359-Y375 HydrophobicContact CG-CE1 4.44Å; K359-Y375 PolarHBondContact NZ-OH 2.94Å; K359-S377 PolarHBondContact N-O 3.21Å; K359-V378 HydrophobicContact CB-CG2 4.41Å; K359-V378 CarbonylContact O-C 3.54Å; K359-V378 WeakPolarHBondContact O-CA 3.48Å; K359-H379 PolarHBondContact O-N 3.08Å
360N96.3Very high92.5Very high76 Ų7655 Ų5541%0.40628%0.275SS..EExtended strand (participates in β ladder)trans-73.5127.3169.6-70.1-13.4000111Y362 H379 V381N360-Y362 HydrophobicContact CB-CE2 4.4Å; N360-H379 CarbonylContact C-O 3.56Å; N360-H379 WeakPolarHBondContact CA-O 3.3Å; N360-H379 PolarHBondContact OD1-ND1 2.79Å; N360-V381 HydrophobicContact CB-CG2 3.7Å
361L95.4Very high92.3Very high37 Ų3755.8 Ų55.819%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-120.3143.8171.6-63.6-176.1000110.1L320 K359 L368 V378 H379 V381L320-L361 HydrophobicContact CD2-CB 4.24Å; L320-L361 HydrophobicContact CD2-CD1 3.7Å; K359-L361 HydrophobicContact CG-CD2 4.01Å; K359-L361 HydrophobicContact CG-CG 4.32Å; K359-L361 PolarHBondContact O-N 2.9Å; L361-L368 HydrophobicContact CD1-CD1 3.98Å; L361-V378 HydrophobicContact CB-CG1 4.38Å; L361-V378 HydrophobicContact CD1-CG1 3.42Å; L361-V378 VanDerWaalsContact CD1-CG1 3.42Å; L361-V378 HydrophobicContact CG-CG1 3.75Å; L361-H379 PolarHBondContact N-O 2.98Å; L361-V381 PolarHBondContact O-N 2.76Å
362Y95.1Very high92.1Very high105 Ų10557.8 Ų57.841%0.41230%0.295SS..SBendtrans-115.7-5.6-179.1-59.1-85.6000112.3N360 V381 T387 S389 E390N360-Y362 HydrophobicContact CB-CE2 4.4Å; Y362-V381 HydrophobicContact CD1-CB 3.95Å; Y362-V381 HydrophobicContact CD1-CG1 4.4Å; Y362-V381 HydrophobicContact CD1-CG2 4.38Å; Y362-V381 HydrophobicContact CE1-CB 3.7Å; Y362-V381 HydrophobicContact CE1-CG1 3.83Å; Y362-V381 HydrophobicContact CE1-CG2 3.86Å; Y362-T387 HydrophobicContact CD1-CG2 3.81Å; Y362-T387 HydrophobicContact CE1-CG2 3.5Å; Y362-T387 VanDerWaalsContact CE1-CG2 3.5Å; Y362-S389 WeakPolarHBondContact O-CA 3.45Å; Y362-S389 PolarHBondContact O-OG 3.38Å; Y362-E390 PolarHBondContact O-N 2.95Å
363K93.4Very high92Very high148 Ų14866.3 Ų66.364%0.64333%0.334SS*.SBendtrans-126.4150.9174.8-64.1-169.6177.5-173.90108.7E390K363-E390 WeakPolarHBondContact CA-OE2 3.39Å
364R91.3Very high91.7Very high119 Ų11969.3 Ų69.345%0.44937%0.365SS..  trans-69.4140.8176.4-57.7177.7-173.5163.92.6109.7N319 E390 F391N319-R364 HydrophobicContact CB-CB 4.48Å; N319-R364 HydrophobicContact CB-CG 3.99Å; N319-R364 CarbonylContact O-C 3.51Å; N319-R364 WeakPolarHBondContact O-CA 3.44Å; N319-R364 WeakPolarHBondContact O-CB 3.49Å; N319-R364 WeakPolarHBondContact OD1-CD 3.35Å; N319-R364 PolarHBondContact OD1-NE 3.03Å; R364-E390 HydrophobicContact CG-CB 4.01Å; R364-E390 WeakPolarHBondContact CG-OE2 3.25Å; R364-E390 PolarHBondContact N-OE2 3.35Å; R364-E390 PolarHBondContact NE-O 3.08Å; R364-E390 PolarHBondContact NH2-O 3.27Å; R364-F391 HydrophobicContact CG-CE1 4.5Å; R364-F391 HydrophobicContact CG-CE2 4.47Å; R364-F391 HydrophobicContact CG-CZ 4.13Å
365D87.3Confident91.7Very high55 Ų5573.2 Ų73.229%0.29438%0.38SS..  trans-13796.9175.2-170.4-14.3000109.1N319 L320 G321 T367 L368N319-D365 PolarHBondContact O-N 3.38Å; L320-D365 CarbonylContact C-O 3.42Å; L320-D365 VanDerWaalsContact CA-O 3.25Å; L320-D365 WeakPolarHBondContact CA-O 3.31Å; G321-D365 PolarHBondContact N-O 2.77Å; G321-D365 VanDerWaalsContact N-O 3.11Å; D365-T367 PolarHBondContact O-N 3.02Å; D365-T367 WeakPolarHBondContact OD1-CB 3.19Å; D365-T367 PolarHBondContact OD1-N 3.27Å; D365-T367 PolarHBondContact OD1-OG1 2.6Å; D365-L368 HydrophobicContact CB-CD1 3.99Å; D365-L368 HydrophobicContact CB-CG 4.07Å
366L84.1Confident91.6Very high76 Ų7676.6 Ų76.640%0.39840%0.396SS..THydrogen-bonded Turntrans-80.61.7-179-53.997.2000112.4V317V317-L366 HydrophobicContact CB-CB 4.15Å; V317-L366 HydrophobicContact CB-CD2 4.2Å; V317-L366 HydrophobicContact CG1-CB 4.13Å
367T81.7Confident91.7Very high99 Ų9976.2 Ų76.261%0.60739%0.392SS*.THydrogen-bonded Turntrans-96.6-8-176.969.50000113.6T313 D365 T369T313-T367 HydrophobicContact CG2-CG2 4.39Å; D365-T367 PolarHBondContact O-N 3.02Å; D365-T367 WeakPolarHBondContact OD1-CB 3.19Å; D365-T367 PolarHBondContact OD1-N 3.27Å; D365-T367 PolarHBondContact OD1-OG1 2.6Å; T367-T369 PolarHBondContact O-N 3.49Å
368L84.8Confident91.7Very high22 Ų2272.6 Ų72.612%0.11537%0.37CS..  trans-68.5124.3-178.8-63.4172.3000111G321 S322 L361 D365 P372 V378 Y399G321-L368 CarbonylContact C-O 3.57Å; G321-L368 WeakPolarHBondContact CA-O 2.92Å; S322-L368 PolarHBondContact N-O 3.44Å; L361-L368 HydrophobicContact CD1-CD1 3.98Å; D365-L368 HydrophobicContact CB-CD1 3.99Å; D365-L368 HydrophobicContact CB-CG 4.07Å; L368-P372 HydrophobicContact CD2-CG 4.35Å; L368-V378 HydrophobicContact CD1-CG2 4.35Å; L368-Y399 HydrophobicContact CB-CE1 4.15Å; L368-Y399 WeakPolarHBondContact CD1-OH 3.45Å
369T82.8Confident91.8Very high71 Ų7172 Ų7244%0.43637%0.365SS..SBendtrans-112.4-18171.259.80000111.5E308 T367 Y399E308-T369 HydrophobicContact CG-CG2 4.23Å; E308-T369 WeakPolarHBondContact OE1-CG2 3.45Å; E308-T369 WeakPolarHBondContact OE2-CB 3.36Å; E308-T369 WeakPolarHBondContact OE2-CG2 3.22Å; T367-T369 PolarHBondContact O-N 3.49Å; T369-Y399 WeakPolarHBondContact O-CD1 3.23Å
370E88.8Confident91.7Very high140 Ų14068.7 Ų68.765%0.65435%0.35SS*.SBendtrans-142.8166.5176.560.8178.5-170.500110.5
371A90.6Very high91.7Very high19 Ų1966 Ų6616%0.15734%0.336CS..PPolyproline II helixtrans-66140.5173.800000110.5Y375 Y399A371-Y375 WeakPolarHBondContact CB-O 3.41Å; A371-Y399 HydrophobicContact CB-CD2 3.98Å; A371-Y399 HydrophobicContact CB-CE2 4.36Å
372P92.7Very high91.6Very high41 Ų4170.2 Ų70.227%0.26635%0.35SS..PPolyproline II helixtrans-56147.7177.4-26.434.5000112.7L368 G374 Y375 V378L368-P372 HydrophobicContact CD2-CG 4.35Å; P372-G374 PolarHBondContact O-N 3.45Å; P372-Y375 HydrophobicContact CB-CD2 4.28Å; P372-Y375 WeakPolarHBondContact O-CB 3.31Å; P372-Y375 PolarHBondContact O-N 2.93Å; P372-V378 HydrophobicContact CG-CG2 4.3Å
373Q92.1Very high91.4Very high199 Ų19970.9 Ų70.993%0.9336%0.357SS*.THydrogen-bonded Turntrans-48.6125.8-177.2-169.3179.817.500112.6
374G92.3Very high91.3Very high63 Ų6366.5 Ų66.565%0.64934%0.342SS*.THydrogen-bonded Turntrans87.51.5-177.900000115.2P372P372-G374 PolarHBondContact O-N 3.45Å
375Y96Very high91.1Very high82 Ų8269.5 Ų69.532%0.32237%0.367SS..  trans-120.4157.8175.8-62.1-92.6000110.6V357 K359 A371 P372V357-Y375 HydrophobicContact CG1-CD1 3.71Å; V357-Y375 HydrophobicContact CG1-CE1 3.95Å; V357-Y375 WeakPolarHBondContact O-CA 3.26Å; K359-Y375 HydrophobicContact CB-CD1 3.6Å; K359-Y375 HydrophobicContact CB-CD2 4.24Å; K359-Y375 HydrophobicContact CB-CE1 3.94Å; K359-Y375 HydrophobicContact CB-CG 3.76Å; K359-Y375 HydrophobicContact CD-CD1 4.12Å; K359-Y375 HydrophobicContact CD-CD2 4.03Å; K359-Y375 HydrophobicContact CD-CE1 3.65Å; K359-Y375 HydrophobicContact CD-CE2 3.56Å; K359-Y375 HydrophobicContact CD-CG 4.29Å; K359-Y375 HydrophobicContact CG-CD1 4.49Å; K359-Y375 HydrophobicContact CG-CE1 4.44Å; K359-Y375 PolarHBondContact NZ-OH 2.94Å; A371-Y375 WeakPolarHBondContact CB-O 3.41Å; P372-Y375 HydrophobicContact CB-CD2 4.28Å; P372-Y375 WeakPolarHBondContact O-CB 3.31Å; P372-Y375 PolarHBondContact O-N 2.93Å
376H96.4Very high91.2Very high71 Ų7176.7 Ų76.733%0.32940%0.396SS..SBendtrans-109.8-20.7179.6-4980.2000111.7V357 Q403V357-H376 WeakPolarHBondContact CB-ND1 3.25Å; V357-H376 PolarHBondContact N-ND1 2.99Å; V357-H376 PolarHBondContact O-N 3.11Å; H376-Q403 PolarHBondContact O-NE2 3.3Å; H376-Q403 PolarHBondContact O-OE1 3.33Å
377S97Very high91.3Very high0 Ų075.1 Ų75.10%039%0.389CS..EExtended strand (participates in β ladder)trans-152.8168.8-179.867.10000110.9L355 C358 K359 V397L355-S377 WeakPolarHBondContact O-CB 3.48Å; L355-S377 PolarHBondContact O-OG 3.14Å; C358-S377 WeakPolarHBondContact CA-O 3.43Å; C358-S377 WeakPolarHBondContact CB-OG 3.47Å; C358-S377 PolarHBondContact SG-OG 3.35Å; K359-S377 PolarHBondContact N-O 3.21Å; S377-V397 WeakPolarHBondContact CA-O 3.3Å; S377-V397 WeakPolarHBondContact CB-O 3.37Å
378V96.7Very high91.8Very high0 Ų076.5 Ų76.50%040%0.398CS..EExtended strand (participates in β ladder)trans-122.6145.7178.9179.80000109.6L320 K359 L361 L368 P372 V397 Y399L320-V378 HydrophobicContact CD1-CG1 3.99Å; L320-V378 HydrophobicContact CD2-CG1 3.92Å; L320-V378 HydrophobicContact CG-CG1 4.42Å; K359-V378 HydrophobicContact CB-CG2 4.41Å; K359-V378 CarbonylContact O-C 3.54Å; K359-V378 WeakPolarHBondContact O-CA 3.48Å; L361-V378 HydrophobicContact CB-CG1 4.38Å; L361-V378 HydrophobicContact CD1-CG1 3.42Å; L361-V378 VanDerWaalsContact CD1-CG1 3.42Å; L361-V378 HydrophobicContact CG-CG1 3.75Å; L368-V378 HydrophobicContact CD1-CG2 4.35Å; P372-V378 HydrophobicContact CG-CG2 4.3Å; V378-V397 PolarHBondContact N-O 3.37Å; V378-V397 PolarHBondContact O-N 3.33Å; V378-Y399 HydrophobicContact CB-CE2 4.31Å; V378-Y399 HydrophobicContact CG2-CE2 3.82Å
379H96.6Very high92.2Very high19 Ų1975.9 Ų75.99%0.08840%0.395CS..EExtended strand (participates in β ladder)trans-129.3109.2178.1171.2-140.6000109.9C358 K359 N360 L361 V381 D394 E395 Y396C358-H379 WeakPolarHBondContact SG-CB 3.29Å; K359-H379 PolarHBondContact O-N 3.08Å; N360-H379 CarbonylContact C-O 3.56Å; N360-H379 WeakPolarHBondContact CA-O 3.3Å; N360-H379 PolarHBondContact OD1-ND1 2.79Å; L361-H379 PolarHBondContact N-O 2.98Å; H379-V381 PolarHBondContact O-N 3.17Å; H379-D394 IonicContact CE1-OD1 3.02Å; H379-D394 IonicContact NE2-OD1 2.97Å; H379-D394 PolarHBondContact NE2-OD1 3.46Å; H379-D394 VanDerWaalsContact NE2-OD1 3.17Å; H379-E395 CarbonylContact C-O 3.56Å; H379-E395 WeakPolarHBondContact CA-O 3.42Å; H379-Y396 HydrophobicContact CB-CD1 4Å; H379-Y396 HydrophobicContact CB-CE1 4.14Å; H379-Y396 AromaticContact CD2-CD1 3.67Å; H379-Y396 AromaticContact CD2-CE1 3.37Å; H379-Y396 WeakPolarHBondContact CD2-CE1 3.38Å; H379-Y396 AromaticContact CD2-CZ 3.61Å; H379-Y396 AromaticContact CG-CD1 3.93Å; H379-Y396 AromaticContact CG-CE1 3.64Å; H379-Y396 AromaticContact NE2-CE1 3.7Å; H379-Y396 AromaticContact NE2-CZ 3.53Å
380G95.3Very high92.7Very high0 Ų076.5 Ų76.50%039%0.394CS..EExtended strand (participates in β ladder)trans-73.6105.5168.300000108.8D394 E395G380-D394 WeakPolarHBondContact O-CA 3.29Å; G380-E395 PolarHBondContact N-O 3.09Å; G380-E395 PolarHBondContact O-N 3.11Å
381V95.3Very high92.7Very high20 Ų2069.9 Ų69.912%0.12136%0.363CS..PPolyproline II helixtrans-78128.9-173.5-1770000109.3N360 L361 Y362 H379 T387 S389 D394N360-V381 HydrophobicContact CB-CG2 3.7Å; L361-V381 PolarHBondContact O-N 2.76Å; Y362-V381 HydrophobicContact CD1-CB 3.95Å; Y362-V381 HydrophobicContact CD1-CG1 4.4Å; Y362-V381 HydrophobicContact CD1-CG2 4.38Å; Y362-V381 HydrophobicContact CE1-CB 3.7Å; Y362-V381 HydrophobicContact CE1-CG1 3.83Å; Y362-V381 HydrophobicContact CE1-CG2 3.86Å; H379-V381 PolarHBondContact O-N 3.17Å; V381-T387 HydrophobicContact CG1-CG2 4.34Å; V381-S389 WeakPolarHBondContact O-CB 3.02Å; V381-S389 PolarHBondContact O-OG 3.03Å; V381-D394 WeakPolarHBondContact CA-OD1 3.48Å
382R92.9Very high92.6Very high126 Ų12675.8 Ų75.848%0.47539%0.387SS..BIsolated β-bridgetrans-60.3150.7179.172.2-179.6173.8-168.7-5.6113.5T384 F391 D394R382-T384 HydrophobicContact CG-CG2 3.94Å; R382-F391 CarbonylContact C-O 3.48Å; R382-F391 WeakPolarHBondContact CA-O 3.37Å; R382-D394 WeakPolarHBondContact CD-OD2 3.41Å; R382-D394 WeakPolarHBondContact CG-OD2 3.32Å; R382-D394 IonicContact CZ-OD2 2.93Å; R382-D394 PolarHBondContact N-OD1 3.16Å; R382-D394 IonicContact NE-OD2 2.87Å; R382-D394 PolarHBondContact NE-OD2 3.25Å
383Q92.3Very high92.3Very high119 Ų11975.4 Ų75.456%0.55638%0.383SS*.PPolyproline II helixtrans-68.8133.1169.9-169.1175.521.600109.9F391Q383-F391 WeakPolarHBondContact CB-O 3.3Å; Q383-F391 PolarHBondContact N-O 2.9Å
384T89.8Confident92.3Very high56 Ų5666.7 Ų66.734%0.34434%0.342SS..BIsolated β-bridgetrans-136.1170.6172.372.90000110R382 K386 T387R382-T384 HydrophobicContact CG-CG2 3.94Å; T384-K386 PolarHBondContact O-N 2.89Å; T384-K386 PolarHBondContact OG1-N 3.35Å; T384-T387 PolarHBondContact N-O 2.99Å; T384-T387 CarbonylContact O-C 3.6Å; T384-T387 PolarHBondContact O-N 3.05Å; T384-T387 WeakPolarHBondContact OG1-CB 3.37Å; T384-T387 PolarHBondContact OG1-N 3.35Å; T384-T387 PolarHBondContact OG1-OG1 3.31Å
385N88.8Confident92.4Very high182 Ų18265 Ų6597%0.97332%0.318SS*.THydrogen-bonded Turntrans-55.5-17.8174.2-65-14.2000113.8
386K87.6Confident92.3Very high205 Ų20561.8 Ų61.889%0.89131%0.305SS*.THydrogen-bonded Turntrans-111.3-10.5179.8-64-177.2179.8178.70113.9T384T384-K386 PolarHBondContact O-N 2.89Å; T384-K386 PolarHBondContact OG1-N 3.35Å
387T86.6Confident92.3Very high43 Ų4358.4 Ų58.426%0.26429%0.289SS..BIsolated β-bridgetrans-131.5113.5-171.5-50.50000109.4Y362 V381 T384Y362-T387 HydrophobicContact CD1-CG2 3.81Å; Y362-T387 HydrophobicContact CE1-CG2 3.5Å; Y362-T387 VanDerWaalsContact CE1-CG2 3.5Å; V381-T387 HydrophobicContact CG1-CG2 4.34Å; T384-T387 PolarHBondContact N-O 2.99Å; T384-T387 CarbonylContact O-C 3.6Å; T384-T387 PolarHBondContact O-N 3.05Å; T384-T387 WeakPolarHBondContact OG1-CB 3.37Å; T384-T387 PolarHBondContact OG1-N 3.35Å; T384-T387 PolarHBondContact OG1-OG1 3.31Å
388T92.1Very high92.2Very high128 Ų12858.4 Ų58.479%0.78529%0.289SS*.  trans-78.4120.3172.5-51.20000109.4
389S94.3Very high92Very high9 Ų959.6 Ų59.66%0.06329%0.294CS..  trans-149.9155.6-179.6-166.90000111.2Y362 V381 F391Y362-S389 WeakPolarHBondContact O-CA 3.45Å; Y362-S389 PolarHBondContact O-OG 3.38Å; V381-S389 WeakPolarHBondContact O-CB 3.02Å; V381-S389 PolarHBondContact O-OG 3.03Å; S389-F391 VanDerWaalsContact C-N 3.32Å; S389-F391 WeakPolarHBondContact OG-CD2 3.46Å
390E92.6Very high91.7Very high85 Ų8560.4 Ų60.440%0.39730%0.302SS..SBendtrans-85.8-1.9174.7-66.9177.4-173.600113.5Y362 K363 R364Y362-E390 PolarHBondContact O-N 2.95Å; K363-E390 WeakPolarHBondContact CA-OE2 3.39Å; R364-E390 HydrophobicContact CG-CB 4.01Å; R364-E390 WeakPolarHBondContact CG-OE2 3.25Å; R364-E390 PolarHBondContact N-OE2 3.35Å; R364-E390 PolarHBondContact NE-O 3.08Å; R364-E390 PolarHBondContact NH2-O 3.27Å
391F89.1Confident91.4Very high1 Ų164 Ų640%0.00432%0.32CS..BIsolated β-bridgetrans-100.2128.4-178.7-61.7-93.8000110.7N319 L320 R364 R382 Q383 S389 D393 E395N319-F391 HydrophobicContact CB-CD1 4.14Å; N319-F391 HydrophobicContact CB-CE1 3.4Å; N319-F391 VanDerWaalsContact CB-CE1 3.4Å; N319-F391 HydrophobicContact CB-CZ 4.12Å; L320-F391 HydrophobicContact CD1-CE1 3.93Å; L320-F391 HydrophobicContact CD1-CZ 4.11Å; L320-F391 HydrophobicContact CD2-CE1 4.09Å; L320-F391 HydrophobicContact CD2-CE2 4.46Å; L320-F391 HydrophobicContact CD2-CZ 3.5Å; L320-F391 VanDerWaalsContact CD2-CZ 3.5Å; L320-F391 HydrophobicContact CG-CE1 3.75Å; L320-F391 HydrophobicContact CG-CZ 3.71Å; R364-F391 HydrophobicContact CG-CE1 4.5Å; R364-F391 HydrophobicContact CG-CE2 4.47Å; R364-F391 HydrophobicContact CG-CZ 4.13Å; R382-F391 CarbonylContact C-O 3.48Å; R382-F391 WeakPolarHBondContact CA-O 3.37Å; Q383-F391 WeakPolarHBondContact CB-O 3.3Å; Q383-F391 PolarHBondContact N-O 2.9Å; S389-F391 VanDerWaalsContact C-N 3.32Å; S389-F391 WeakPolarHBondContact OG-CD2 3.46Å; F391-D393 WeakPolarHBondContact CB-O 3.48Å; F391-E395 HydrophobicContact CD1-CB 4.44Å; F391-E395 HydrophobicContact CD1-CG 4.41Å
392E87.5Confident91.1Very high143 Ų14365.5 Ų65.567%0.66833%0.328SS*.SBendtrans-72.6-38.5176.1-67.4178.7168.100111.6K335K335-E392 IonicContact NZ-OE2 3.45Å; K335-E392 PolarHBondContact NZ-OE2 2.94Å
393D88.1Confident91.2Very high33 Ų3360 Ų6018%0.17631%0.308CS..SBendtrans-128.1165.3-178.9-59.4-73.5000109.7S331 T332 K335 F391 E395S331-D393 PolarHBondContact OG-OD1 3.14Å; T332-D393 HydrophobicContact CG2-CB 3.08Å; K335-D393 IonicContact NZ-OD2 3.46Å; K335-D393 PolarHBondContact NZ-OD2 3.28Å; F391-D393 WeakPolarHBondContact CB-O 3.48Å; D393-E395 PolarHBondContact O-N 2.88Å
394D92.1Very high91.3Very high15 Ų1554.7 Ų54.78%0.0828%0.283CS..  trans-74.8125.5177-71.8-57.1000109.3H379 G380 V381 R382 Y396H379-D394 IonicContact CE1-OD1 3.02Å; H379-D394 IonicContact NE2-OD1 2.97Å; H379-D394 PolarHBondContact NE2-OD1 3.46Å; H379-D394 VanDerWaalsContact NE2-OD1 3.17Å; G380-D394 WeakPolarHBondContact O-CA 3.29Å; V381-D394 WeakPolarHBondContact CA-OD1 3.48Å; R382-D394 WeakPolarHBondContact CD-OD2 3.41Å; R382-D394 WeakPolarHBondContact CG-OD2 3.32Å; R382-D394 IonicContact CZ-OD2 2.93Å; R382-D394 PolarHBondContact N-OD1 3.16Å; R382-D394 IonicContact NE-OD2 2.87Å; R382-D394 PolarHBondContact NE-OD2 3.25Å; D394-Y396 HydrophobicContact CB-CE2 4.2Å
395E92.8Very high91.5Very high28 Ų2854.3 Ų54.313%0.13128%0.277CS..EExtended strand (participates in β ladder)trans-118.9120.7179.6-71-178.6-163.400110.2N319 L320 H379 G380 F391 D393N319-E395 PolarHBondContact ND2-OE1 2.87Å; N319-E395 PolarHBondContact ND2-OE2 2.71Å; L320-E395 HydrophobicContact CD1-CB 4.43Å; H379-E395 CarbonylContact C-O 3.56Å; H379-E395 WeakPolarHBondContact CA-O 3.42Å; G380-E395 PolarHBondContact N-O 3.09Å; G380-E395 PolarHBondContact O-N 3.11Å; F391-E395 HydrophobicContact CD1-CB 4.44Å; F391-E395 HydrophobicContact CD1-CG 4.41Å; D393-E395 PolarHBondContact O-N 2.88Å
396Y95.5Very high91.8Very high15 Ų1545.8 Ų45.86%0.05923%0.231CC..EExtended strand (participates in β ladder)trans-105.2130.7176.5-60.7-90.1000109.9L283 F326 D328 L355 H379 D394L283-Y396 HydrophobicContact CD1-CD2 3.99Å; L283-Y396 HydrophobicContact CD1-CG 3.86Å; L283-Y396 HydrophobicContact CD2-CD2 4.07Å; L283-Y396 HydrophobicContact CD2-CE2 4.17Å; F326-Y396 PolarHBondContact N-O 2.83Å; F326-Y396 PolarHBondContact O-N 3.32Å; D328-Y396 HydrophobicContact CB-CE2 4.06Å; D328-Y396 PolarHBondContact OD2-OH 2.99Å; L355-Y396 HydrophobicContact CD1-CD1 3.71Å; L355-Y396 HydrophobicContact CD1-CE1 4Å; L355-Y396 HydrophobicContact CD1-CG 4.49Å; L355-Y396 HydrophobicContact CD2-CD1 4.14Å; L355-Y396 HydrophobicContact CD2-CG 4.49Å; H379-Y396 HydrophobicContact CB-CD1 4Å; H379-Y396 HydrophobicContact CB-CE1 4.14Å; H379-Y396 AromaticContact CD2-CD1 3.67Å; H379-Y396 AromaticContact CD2-CE1 3.37Å; H379-Y396 WeakPolarHBondContact CD2-CE1 3.38Å; H379-Y396 AromaticContact CD2-CZ 3.61Å; H379-Y396 AromaticContact CG-CD1 3.93Å; H379-Y396 AromaticContact CG-CE1 3.64Å; H379-Y396 AromaticContact NE2-CE1 3.7Å; H379-Y396 AromaticContact NE2-CZ 3.53Å; D394-Y396 HydrophobicContact CB-CE2 4.2Å
397V95.2Very high92Very high0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-130.1128.2-175.1-173.70000110.9L320 I324 Y325 S377 V378 Y399L320-V397 HydrophobicContact CB-CB 4.45Å; L320-V397 HydrophobicContact CB-CG2 3.9Å; L320-V397 HydrophobicContact CD1-CG2 3.75Å; L320-V397 HydrophobicContact CG-CG2 4.45Å; I324-V397 WeakPolarHBondContact O-CA 3.3Å; Y325-V397 HydrophobicContact CD1-CG2 3.49Å; Y325-V397 VanDerWaalsContact CD1-CG2 3.49Å; Y325-V397 HydrophobicContact CD2-CG2 4.4Å; Y325-V397 HydrophobicContact CE1-CG2 3.43Å; Y325-V397 VanDerWaalsContact CE1-CG2 3.43Å; Y325-V397 HydrophobicContact CE2-CG1 4.23Å; Y325-V397 HydrophobicContact CE2-CG2 4.33Å; Y325-V397 HydrophobicContact CG-CG2 3.98Å; S377-V397 WeakPolarHBondContact CA-O 3.3Å; S377-V397 WeakPolarHBondContact CB-O 3.37Å; V378-V397 PolarHBondContact N-O 3.37Å; V378-V397 PolarHBondContact O-N 3.33Å; V397-Y399 HydrophobicContact CG1-CE1 4.05Å; V397-Y399 HydrophobicContact CG1-CE2 4.09Å
398V95.6Very high92.5Very high0 Ų038.8 Ų38.80%020%0.196CC..EExtended strand (participates in β ladder)trans-115.2148.3172.5-62.30000109.8G323 I324 F326 V353 L355 Q403 V404G323-V398 CarbonylContact C-O 3.51Å; G323-V398 VanDerWaalsContact CA-O 3.31Å; G323-V398 WeakPolarHBondContact CA-O 3.4Å; I324-V398 HydrophobicContact CB-CG2 3.99Å; I324-V398 HydrophobicContact CD1-CG2 4.48Å; I324-V398 PolarHBondContact N-O 2.98Å; I324-V398 PolarHBondContact O-N 2.93Å; F326-V398 HydrophobicContact CD2-CG2 4.47Å; F326-V398 HydrophobicContact CE2-CG2 3.84Å; V353-V398 HydrophobicContact CG1-CG1 3.7Å; L355-V398 HydrophobicContact CD2-CG1 4.27Å; V398-Q403 HydrophobicContact CB-CB 4.08Å; V398-Q403 HydrophobicContact CG1-CB 4.07Å; V398-Q403 HydrophobicContact CG2-CB 4.37Å; V398-V404 HydrophobicContact CG2-CG2 3.62Å
399Y92.1Very high92.6Very high25 Ų2532.7 Ų32.710%0.09816%0.159CC..SBendtrans-114.912.7-175.6-55.4-92.9000112.1L320 L368 T369 A371 V378 V397L320-Y399 PolarHBondContact O-OH 3.06Å; L368-Y399 HydrophobicContact CB-CE1 4.15Å; L368-Y399 WeakPolarHBondContact CD1-OH 3.45Å; T369-Y399 WeakPolarHBondContact O-CD1 3.23Å; A371-Y399 HydrophobicContact CB-CD2 3.98Å; A371-Y399 HydrophobicContact CB-CE2 4.36Å; V378-Y399 HydrophobicContact CB-CE2 4.31Å; V378-Y399 HydrophobicContact CG2-CE2 3.82Å; V397-Y399 HydrophobicContact CG1-CE1 4.05Å; V397-Y399 HydrophobicContact CG1-CE2 4.09Å
400S90.4Very high92.7Very high36 Ų3632.3 Ų32.325%0.25216%0.156SC..  trans-132.5137.7174178.80000109.9D402 Q403S400-D402 PolarHBondContact O-N 2.75Å; S400-D402 PolarHBondContact OG-N 2.78Å; S400-Q403 PolarHBondContact O-N 2.99Å
401L88.2Confident92.7Very high74 Ų7429.2 Ų29.239%0.38714%0.142SC..G310 helixtrans-64.5-30.2174.4-67.6169.7000111.6L300 L302 I324 Q403 V404L300-L401 WeakPolarHBondContact O-CD2 3.08Å; L302-L401 HydrophobicContact CD1-CG 4.33Å; L302-L401 HydrophobicContact CG-CD2 4.39Å; L302-L401 HydrophobicContact CG-CG 4.27Å; I324-L401 HydrophobicContact CD1-CD2 3.67Å; L401-Q403 PolarHBondContact O-N 3.41Å; L401-Q403 VanDerWaalsContact O-N 3.13Å; L401-V404 PolarHBondContact O-N 2.94Å; L401-V404 VanDerWaalsContact O-N 3.15Å
402D89.6Confident92.9Very high53 Ų5329.2 Ų29.228%0.28314%0.142SC..G310 helixtrans-70.1-7.6-179.4-63-12.3000112.8T272 F273 Q274 S400T272-D402 WeakPolarHBondContact CB-OD1 3.37Å; T272-D402 WeakPolarHBondContact O-CB 3.35Å; T272-D402 PolarHBondContact OG1-OD1 3.45Å; T272-D402 VanDerWaalsContact OG1-OD1 3.09Å; F273-D402 CarbonylContact C-O 3.55Å; F273-D402 VanDerWaalsContact CA-O 3.26Å; F273-D402 WeakPolarHBondContact CA-O 3.28Å; Q274-D402 HydrophobicContact CG-CB 4.01Å; Q274-D402 PolarHBondContact N-O 2.92Å; S400-D402 PolarHBondContact O-N 2.75Å; S400-D402 PolarHBondContact OG-N 2.78Å
403Q94.9Very high93.1Very high10 Ų1023.3 Ų23.35%0.04711%0.113CC..G310 helixtrans-91.81.4175.1-67179-93.900113.2F273 I277 V353 A354 H376 V398 S400 L401F273-Q403 WeakPolarHBondContact CE2-O 3.14Å; I277-Q403 HydrophobicContact CD1-CG 3.91Å; V353-Q403 CarbonylContact C-O 3.54Å; V353-Q403 WeakPolarHBondContact CA-O 3.48Å; A354-Q403 PolarHBondContact N-O 3.3Å; A354-Q403 PolarHBondContact O-NE2 2.87Å; H376-Q403 PolarHBondContact O-NE2 3.3Å; H376-Q403 PolarHBondContact O-OE1 3.33Å; V398-Q403 HydrophobicContact CB-CB 4.08Å; V398-Q403 HydrophobicContact CG1-CB 4.07Å; V398-Q403 HydrophobicContact CG2-CB 4.37Å; S400-Q403 PolarHBondContact O-N 2.99Å; L401-Q403 PolarHBondContact O-N 3.41Å; L401-Q403 VanDerWaalsContact O-N 3.13Å
404V94.9Very high93.2Very high7 Ų723 Ų234%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-125.8132.1-172.7-175.30000110.7L300 I324 F326 C351 V398 L401L300-V404 HydrophobicContact CD1-CG1 4.13Å; I324-V404 HydrophobicContact CD1-CG2 4.22Å; F326-V404 HydrophobicContact CE1-CG1 4.25Å; F326-V404 HydrophobicContact CE2-CG2 3.78Å; F326-V404 HydrophobicContact CZ-CB 4.33Å; F326-V404 HydrophobicContact CZ-CG1 3.63Å; F326-V404 HydrophobicContact CZ-CG2 3.65Å; C351-V404 HydrophobicContact CB-CG1 4.08Å; V398-V404 HydrophobicContact CG2-CG2 3.62Å; L401-V404 PolarHBondContact O-N 2.94Å; L401-V404 VanDerWaalsContact O-N 3.15Å
405K93.6Very high92.8Very high48 Ų4831.3 Ų31.321%0.20915%0.151CC..EExtended strand (participates in β ladder)trans-132.2119168.9-176.6-17570.3-178.20110.2E269 L270 F273 C351 D352E269-K405 HydrophobicContact CB-CG 4.23Å; L270-K405 HydrophobicContact CD2-CD 4.11Å; F273-K405 HydrophobicContact CB-CB 4.22Å; F273-K405 HydrophobicContact CD1-CB 4.21Å; F273-K405 HydrophobicContact CD1-CD 4.24Å; F273-K405 HydrophobicContact CD2-CB 3.61Å; F273-K405 HydrophobicContact CE1-CB 4.48Å; F273-K405 HydrophobicContact CE2-CB 3.91Å; F273-K405 HydrophobicContact CG-CB 3.76Å; F273-K405 HydrophobicContact CG-CD 4.39Å; F273-K405 HydrophobicContact CZ-CB 4.33Å; C351-K405 CarbonylContact C-O 3.46Å; C351-K405 VanDerWaalsContact CA-O 3.27Å; C351-K405 WeakPolarHBondContact CA-O 3.36Å; D352-K405 PolarHBondContact N-O 3.17Å; D352-K405 PolarHBondContact O-N 3.48Å; D352-K405 WeakPolarHBondContact OD2-CE 3.24Å; D352-K405 IonicContact OD2-NZ 3.4Å; D352-K405 PolarHBondContact OD2-NZ 3.21Å
406M94.9Very high92.3Very high3 Ų333.5 Ų33.52%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-67.7144.3174.4-61.7-163.9-69.200110.2V264 R266 E269 I295 M296 L349V264-M406 HydrophobicContact CG2-CB 3.91Å; R266-M406 HydrophobicContact CG-CE 4.12Å; E269-M406 WeakPolarHBondContact OE1-CE 3.48Å; E269-M406 WeakPolarHBondContact OE2-CB 3.49Å; E269-M406 PolarHBondContact OE2-N 3.24Å; I295-M406 HydrophobicContact CG2-CE 4.26Å; I295-M406 HydrophobicContact CG2-SD 3.62Å; I295-M406 WeakPolarHBondContact O-CE 3.44Å; M296-M406 HydrophobicContact CE-CE 4.03Å; M296-M406 HydrophobicContact CE-SD 3.94Å; L349-M406 HydrophobicContact CD1-SD 3.79Å; L349-M406 HydrophobicContact CD2-SD 4.11Å
407K93.1Very high91.9Very high66 Ų6634.2 Ų34.229%0.28719%0.186SC..EExtended strand (participates in β ladder)trans-135.6-46.6-174.3-164.8179.8-167.71540113.1C263 V264 V350 D352C263-K407 WeakPolarHBondContact CA-O 3.5Å; V264-K407 PolarHBondContact N-O 3.34Å; V350-K407 WeakPolarHBondContact O-CB 3.21Å; V350-K407 PolarHBondContact O-N 3.06Å; D352-K407 VanDerWaalsContact CG-NZ 3.34Å; D352-K407 IonicContact OD1-NZ 2.71Å; D352-K407 PolarHBondContact OD1-NZ 3.49Å; D352-K407 IonicContact OD2-NZ 3.64Å; D352-K407 PolarHBondContact OD2-NZ 2.93Å
408Y95.5Very high91.5Very high36 Ų3641.2 Ų41.214%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-135.2146.5177.8-50-68.9000111.1I237 V243 V247 I261 M262 C263 L349 V350I237-Y408 HydrophobicContact CD1-CD1 3.56Å; I237-Y408 HydrophobicContact CD1-CE1 3.57Å; V243-Y408 HydrophobicContact CG1-CE1 3.77Å; V243-Y408 WeakPolarHBondContact CG1-OH 3.45Å; V247-Y408 HydrophobicContact CG1-CD2 4.39Å; V247-Y408 HydrophobicContact CG2-CD1 4.34Å; V247-Y408 HydrophobicContact CG2-CD2 3.43Å; V247-Y408 VanDerWaalsContact CG2-CD2 3.43Å; V247-Y408 HydrophobicContact CG2-CE1 4.4Å; V247-Y408 HydrophobicContact CG2-CE2 3.45Å; V247-Y408 VanDerWaalsContact CG2-CE2 3.45Å; V247-Y408 HydrophobicContact CG2-CG 3.89Å; I261-Y408 HydrophobicContact CG2-CD1 4.46Å; M262-Y408 CarbonylContact O-C 3.57Å; M262-Y408 VanDerWaalsContact O-CA 3.27Å; M262-Y408 WeakPolarHBondContact O-CA 3.46Å; C263-Y408 HydrophobicContact CB-CD1 4.42Å; C263-Y408 HydrophobicContact CB-CE1 4.48Å; L349-Y408 WeakPolarHBondContact CA-O 3.39Å; V350-Y408 HydrophobicContact CB-CD2 4.1Å; V350-Y408 HydrophobicContact CG1-CD2 4.22Å; V350-Y408 PolarHBondContact N-O 3.48Å; V350-Y408 PolarHBondContact O-N 2.99Å; V350-Y408 VanDerWaalsContact O-N 3.09Å
409I95.7Very high90.9Very high0 Ų047.8 Ų47.80%025%0.249CC..EExtended strand (participates in β ladder)trans-113.4133.7163.3-172.3162000108.8F119 I261 M262 V264 F292 M296 L348 L349F119-I409 HydrophobicContact CE1-CD1 4.21Å; F119-I409 HydrophobicContact CE1-CG2 4.38Å; F119-I409 HydrophobicContact CE2-CD1 4.47Å; F119-I409 HydrophobicContact CZ-CD1 3.54Å; F119-I409 HydrophobicContact CZ-CG1 4.33Å; F119-I409 HydrophobicContact CZ-CG2 4.38Å; I261-I409 WeakPolarHBondContact CA-O 3.48Å; M262-I409 HydrophobicContact CB-CG2 3.61Å; M262-I409 HydrophobicContact CE-CG2 3.69Å; M262-I409 PolarHBondContact N-O 3.21Å; M262-I409 PolarHBondContact O-N 3.44Å; V264-I409 HydrophobicContact CG1-CB 4.21Å; V264-I409 HydrophobicContact CG1-CG2 3.71Å; F292-I409 HydrophobicContact CD1-CD1 3.27Å; F292-I409 HydrophobicContact CD1-CG1 4.43Å; F292-I409 HydrophobicContact CE1-CD1 3.3Å; F292-I409 HydrophobicContact CE1-CG1 4.02Å; F292-I409 HydrophobicContact CG-CD1 4.41Å; F292-I409 HydrophobicContact CZ-CD1 4.47Å; M296-I409 HydrophobicContact CE-CD1 4.34Å; L348-I409 CarbonylContact O-C 3.51Å; L348-I409 WeakPolarHBondContact O-CA 3.36Å; L349-I409 HydrophobicContact CD2-CB 4.04Å; L349-I409 HydrophobicContact CD2-CD1 4.27Å; L349-I409 HydrophobicContact CD2-CG1 4.21Å
410V94.5Very high90.7Very high0 Ų050.8 Ų50.80%026%0.263CS..EExtended strand (participates in β ladder)trans-116117.5-175.5-178.30000107V247 L251 I258 I261 F347 L348 V350 F412V247-V410 HydrophobicContact CG1-CG2 3.96Å; L251-V410 HydrophobicContact CD1-CB 4.25Å; L251-V410 HydrophobicContact CD1-CG1 3.56Å; L251-V410 HydrophobicContact CD1-CG2 3.89Å; I258-V410 HydrophobicContact CG1-CG1 4.39Å; I258-V410 HydrophobicContact CG2-CG1 4.17Å; I261-V410 HydrophobicContact CG2-CG2 4.49Å; F347-V410 WeakPolarHBondContact CA-O 3.23Å; L348-V410 HydrophobicContact CB-CB 4.44Å; L348-V410 HydrophobicContact CD2-CG2 4.45Å; L348-V410 PolarHBondContact N-O 3.19Å; L348-V410 PolarHBondContact O-N 3.37Å; V350-V410 HydrophobicContact CG2-CG2 4.17Å; V410-F412 HydrophobicContact CG1-CB 4.37Å; V410-F412 HydrophobicContact CG1-CD1 4.35Å
411Q94.3Very high90.4Very high20 Ų2056.1 Ų56.19%0.09329%0.289CS..EExtended strand (participates in β ladder)trans-93120.2169.6-173-179.81300108.2Q259 Q260 D343 S345 R346 F347Q259-Q411 HydrophobicContact CB-CG 4.34Å; Q259-Q411 WeakPolarHBondContact CB-O 3.29Å; Q259-Q411 PolarHBondContact N-O 3.45Å; Q260-Q411 HydrophobicContact CB-CB 4.37Å; Q260-Q411 PolarHBondContact N-O 3.4Å; Q260-Q411 PolarHBondContact O-N 2.94Å; D343-Q411 PolarHBondContact OD2-NE2 2.99Å; S345-Q411 PolarHBondContact OG-NE2 2.93Å; R346-Q411 WeakPolarHBondContact O-CA 3.49Å; F347-Q411 HydrophobicContact CD1-CB 4.41Å; F347-Q411 HydrophobicContact CD1-CG 4.23Å; F347-Q411 HydrophobicContact CE1-CB 4.49Å; F347-Q411 HydrophobicContact CE1-CG 3.96Å
412F92.8Very high90.4Very high1 Ų155.8 Ų55.80%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-144.2172.2-175.172.2-80.7000112V256 Q257 L334 A337 R346 L348 V410 V414V256-F412 HydrophobicContact CG1-CB 3.87Å; V256-F412 HydrophobicContact CG1-CD2 3.65Å; V256-F412 HydrophobicContact CG1-CE2 4.47Å; V256-F412 HydrophobicContact CG1-CG 3.96Å; V256-F412 HydrophobicContact CG2-CD2 4.46Å; Q257-F412 CarbonylContact O-C 3.49Å; Q257-F412 WeakPolarHBondContact O-CA 3.43Å; Q257-F412 WeakPolarHBondContact O-CB 3.16Å; L334-F412 HydrophobicContact CD2-CE2 3.7Å; L334-F412 HydrophobicContact CD2-CZ 3.98Å; A337-F412 HydrophobicContact CB-CZ 4.11Å; R346-F412 HydrophobicContact CB-CD1 4.12Å; R346-F412 HydrophobicContact CB-CD2 4.26Å; R346-F412 HydrophobicContact CB-CE1 3.67Å; R346-F412 HydrophobicContact CB-CE2 3.86Å; R346-F412 HydrophobicContact CB-CG 4.41Å; R346-F412 HydrophobicContact CB-CZ 3.55Å; R346-F412 HydrophobicContact CG-CZ 4.49Å; R346-F412 PolarHBondContact N-O 2.71Å; R346-F412 WeakPolarHBondContact O-CD1 3.34Å; R346-F412 PolarHBondContact O-N 2.75Å; L348-F412 HydrophobicContact CB-CD1 4.26Å; L348-F412 HydrophobicContact CB-CE1 3.66Å; V410-F412 HydrophobicContact CG1-CB 4.37Å; V410-F412 HydrophobicContact CG1-CD1 4.35Å; F412-V414 HydrophobicContact CD2-CG1 4.24Å; F412-V414 HydrophobicContact CE2-CG1 3.94Å
413R91.6Very high90.1Very high20 Ų2058.6 Ų58.68%0.07531%0.308CS..EExtended strand (participates in β ladder)trans-133.5158.6170.4-70.9-170.5-177.8144.63.1110.8Q257 Q259 D343 D417 Q419Q257-R413 PolarHBondContact N-O 2.82Å; Q257-R413 PolarHBondContact O-N 3.06Å; Q259-R413 VanDerWaalsContact NE2-NE 3.15Å; D343-R413 PolarHBondContact O-NH2 2.96Å; R413-D417 HydrophobicContact CB-CB 4.29Å; R413-D417 HydrophobicContact CG-CB 4.39Å; R413-Q419 VanDerWaalsContact NH1-CD 3.31Å
414V90.8Very high89.7Confident27 Ų2759.6 Ų59.616%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-116.8164.8169.3-61.60000111.6S255 V256 L334 F412 G416 D417S255-V414 VanDerWaalsContact O-CA 3.31Å; S255-V414 WeakPolarHBondContact O-CA 3.29Å; V256-V414 HydrophobicContact CG2-CG1 4.29Å; L334-V414 HydrophobicContact CD2-CG1 3.75Å; F412-V414 HydrophobicContact CD2-CG1 4.24Å; F412-V414 HydrophobicContact CE2-CG1 3.94Å; V414-G416 PolarHBondContact O-N 3.08Å; V414-D417 WeakPolarHBondContact CG2-OD2 3.42Å; V414-D417 PolarHBondContact N-OD2 3.47Å; V414-D417 WeakPolarHBondContact O-CB 3.34Å; V414-D417 PolarHBondContact O-N 2.78Å; V414-D417 VanDerWaalsContact O-N 3.07Å
415E83.3Confident89Confident188 Ų18866.8 Ų66.888%0.87935%0.354SS*.THydrogen-bonded Turntrans-56.1120.3175.3-168.8175.3-175.500110.7
416G82.2Confident88.6Confident74 Ų7467.8 Ų67.876%0.76336%0.36SS*.THydrogen-bonded Turntrans106.2-10.9-176.100000115.2V414V414-G416 PolarHBondContact O-N 3.08Å
417D88Confident87.9Confident30 Ų3070.8 Ų70.816%0.1638%0.376CS..PPolyproline II helixtrans-75.5129.5173.2-68-23.6000111.1R346 R413 V414R346-D417 IonicContact CZ-OD1 3.44Å; R346-D417 IonicContact CZ-OD2 2.71Å; R346-D417 IonicContact NE-OD1 2.87Å; R346-D417 PolarHBondContact NE-OD1 2.8Å; R346-D417 IonicContact NE-OD2 3.26Å; R346-D417 PolarHBondContact NE-OD2 3.22Å; R346-D417 IonicContact NH2-OD1 3.12Å; R346-D417 PolarHBondContact NH2-OD1 3.17Å; R346-D417 IonicContact NH2-OD2 3.47Å; R413-D417 HydrophobicContact CB-CB 4.29Å; R413-D417 HydrophobicContact CG-CB 4.39Å; V414-D417 WeakPolarHBondContact CG2-OD2 3.42Å; V414-D417 PolarHBondContact N-OD2 3.47Å; V414-D417 WeakPolarHBondContact O-CB 3.34Å; V414-D417 PolarHBondContact O-N 2.78Å; V414-D417 VanDerWaalsContact O-N 3.07Å
418E85.6Confident87.1Confident148 Ų14871.6 Ų71.669%0.69238%0.383SS*.PPolyproline II helixtrans-81.4129.9177.5-66.7-174.8168.400111.5G344 K420G344-E418 WeakPolarHBondContact CA-O 3.26Å; E418-K420 PolarHBondContact O-N 3.45Å
419Q83.9Confident85.7Confident137 Ų13774.2 Ų74.264%0.6440%0.403SS*.PPolyproline II helixtrans-73.6120.8170.1178.5154.8-20.200110.3R413R413-Q419 VanDerWaalsContact NH1-CD 3.31Å
420K88.1Confident83.8Confident89 Ų8976.9 Ų76.939%0.38743%0.425SS..  trans-107.8137.9169.5-62.9169.9179.5171.30109E341 T342 D343 E418 F422E341-K420 VanDerWaalsContact O-CD 3.29Å; E341-K420 WeakPolarHBondContact O-CD 3.47Å; E341-K420 PolarHBondContact O-NZ 3.08Å; T342-K420 WeakPolarHBondContact O-CB 3.43Å; D343-K420 PolarHBondContact O-N 2.85Å; E418-K420 PolarHBondContact O-N 3.45Å; K420-F422 PolarHBondContact O-N 3.49Å
421D84.2Confident81.8Confident148 Ų14881 Ų8179%0.79144%0.444SS*.  trans-76.8121.3177.2-75.2-22000109.8
422F87.9Confident79.3Confident66 Ų6685 Ų8529%0.28947%0.472SS..  trans-126.2117.4175.3179.7-115000109.1E121 L122 T125 T342 D343 K420 P424E121-F422 HydrophobicContact CB-CE1 4.42Å; E121-F422 HydrophobicContact CB-CZ 4.28Å; L122-F422 HydrophobicContact CB-CD1 4.38Å; L122-F422 HydrophobicContact CB-CE1 3.81Å; L122-F422 HydrophobicContact CD1-CD1 4.18Å; L122-F422 HydrophobicContact CD1-CE1 4.18Å; T125-F422 HydrophobicContact CG2-CE2 4.35Å; T342-F422 HydrophobicContact CG2-CB 4.38Å; T342-F422 HydrophobicContact CG2-CD1 4.39Å; T342-F422 HydrophobicContact CG2-CD2 3.35Å; T342-F422 HydrophobicContact CG2-CE2 3.56Å; T342-F422 HydrophobicContact CG2-CG 3.8Å; T342-F422 HydrophobicContact CG2-CZ 4.16Å; D343-F422 HydrophobicContact CB-CB 3.93Å; K420-F422 PolarHBondContact O-N 3.49Å; F422-P424 HydrophobicContact CD1-CG 4.23Å; F422-P424 HydrophobicContact CE1-CB 3.96Å; F422-P424 HydrophobicContact CE1-CG 3.61Å; F422-P424 HydrophobicContact CE2-CB 4.3Å; F422-P424 HydrophobicContact CZ-CB 3.69Å; F422-P424 HydrophobicContact CZ-CG 3.91Å
423S83.5Confident77Confident113 Ų11390.5 Ų90.579%0.7950%0.501SS*.  trans-132.687.5178.640.30000108.6
424P85.8Confident74.3Confident31 Ų3197.5 Ų97.520%0.20153%0.534CS..  trans-74.2150.9-176.629.6-33.5000111.6A118 E121 F422 I426A118-P424 HydrophobicContact CB-CG 4.34Å; E121-P424 HydrophobicContact CB-CB 3.63Å; E121-P424 HydrophobicContact CB-CG 3.79Å; E121-P424 HydrophobicContact CG-CB 3.87Å; E121-P424 HydrophobicContact CG-CG 4.16Å; F422-P424 HydrophobicContact CD1-CG 4.23Å; F422-P424 HydrophobicContact CE1-CB 3.96Å; F422-P424 HydrophobicContact CE1-CG 3.61Å; F422-P424 HydrophobicContact CE2-CB 4.3Å; F422-P424 HydrophobicContact CZ-CB 3.69Å; F422-P424 HydrophobicContact CZ-CG 3.91Å; P424-I426 HydrophobicContact CG-CG1 4.38Å; P424-I426 PolarHBondContact O-N 2.84Å; P424-I426 VanDerWaalsContact O-N 3.12Å
425D80.8Confident71.5Confident158 Ų15899.3 Ų99.385%0.84555%0.552SS**  trans-71.6101.7169.1-75.9-31.7000109.4N427D425-N427 PolarHBondContact O-N 3.15Å
426I84Confident69.2Low68 Ų6894.2 Ų94.235%0.34954%0.542SS..  trans-83.7115.7-179.2-64.3168.9000109.6A117 A118 P424 L428A117-I426 HydrophobicContact CB-CD1 4.17Å; A117-I426 HydrophobicContact CB-CG1 4.2Å; A117-I426 HydrophobicContact CB-CG2 3.57Å; A118-I426 HydrophobicContact CB-CD1 4.24Å; P424-I426 HydrophobicContact CG-CG1 4.38Å; P424-I426 PolarHBondContact O-N 2.84Å; P424-I426 VanDerWaalsContact O-N 3.12Å; I426-L428 HydrophobicContact CG2-CD2 3.62Å; I426-L428 HydrophobicContact CG2-CG 3.75Å
427N80.1Confident66.8Low66 Ų66100.1 Ų100.135%0.35355%0.546SS..  trans-106.5101.7171.9-175.1-0.6000110.4S223 D425 T429S223-N427 PolarHBondContact N-O 3.3Å; S223-N427 PolarHBondContact OG-N 3.31Å; S223-N427 VanDerWaalsContact OG-N 3.13Å; D425-N427 PolarHBondContact O-N 3.15Å; N427-T429 WeakPolarHBondContact OD1-CB 3.49Å; N427-T429 PolarHBondContact OD1-N 3.01Å; N427-T429 PolarHBondContact OD1-OG1 3.41Å
428L77Confident64.3Low83 Ų83103.4 Ų103.444%0.43556%0.564SS.*  trans-86.5-1.8177.9-60179.6000113.8L112 A117 I426 A430L112-L428 HydrophobicContact CB-CD2 4.08Å; A117-L428 HydrophobicContact CB-CD2 4.07Å; I426-L428 HydrophobicContact CG2-CD2 3.62Å; I426-L428 HydrophobicContact CG2-CG 3.75Å; L428-A430 PolarHBondContact O-N 2.91Å
429T65Low61.8Low91 Ų91102.3 Ų102.356%0.55857%0.57SS**PPolyproline II helixtrans-68.7118.9175.856.60000109.2S222 N427 E431S222-T429 PolarHBondContact OG-O 3.11Å; N427-T429 WeakPolarHBondContact OD1-CB 3.49Å; N427-T429 PolarHBondContact OD1-N 3.01Å; N427-T429 PolarHBondContact OD1-OG1 3.41Å; T429-E431 PolarHBondContact O-N 3.28Å
430A56Low59.4Low56 Ų56102.9 Ų102.946%0.46358%0.577SS.*PPolyproline II helixtrans-62.3118.2164.800000106.4L428 P432L428-A430 PolarHBondContact O-N 2.91Å; A430-P432 WeakPolarHBondContact O-CD 3.44Å; A430-P432 VanDerWaalsContact O-N 3.15Å
431E53.2Low57Low86 Ų86103.1 Ų103.140%0.40258%0.582SS.*PPolyproline II helixtrans-56.8123.3171.4-70.5-177.418000106.7N218 T429 I433N218-E431 PolarHBondContact ND2-OE1 2.9Å; T429-E431 PolarHBondContact O-N 3.28Å; E431-I433 PolarHBondContact O-N 3.4Å
432P42.4Very low54.8Low104 Ų104100.2 Ų100.268%0.67557%0.57SS**PPolyproline II helixtrans-55.3130.5167.2-16.228.2000106.2A430 E434A430-P432 WeakPolarHBondContact O-CD 3.44Å; A430-P432 VanDerWaalsContact O-N 3.15Å; P432-E434 HydrophobicContact CB-CG 4.42Å; P432-E434 PolarHBondContact O-N 3.25Å
433I43.2Very low52.8Low117 Ų117101.8 Ų101.860%0.659%0.589SS**  trans-63.986.9160-58169.2000103.8E431 A435 V796E431-I433 PolarHBondContact O-N 3.4Å; I433-A435 PolarHBondContact O-N 2.9Å; I433-V796 HydrophobicContact CD1-CG1 4.22Å
434E34.7Very low50.8Low168 Ų168103.6 Ų103.679%0.78559%0.585SS**  trans-63.399169.4-75.4-164.9167.300104.6P432 A436P432-E434 HydrophobicContact CB-CG 4.42Å; P432-E434 PolarHBondContact O-N 3.25Å; E434-A436 VanDerWaalsContact C-N 3.26Å; E434-A436 PolarHBondContact O-N 2.73Å
435A33.8Very low48.8Very low65 Ų65107.2 Ų107.254%0.53760%0.599SS.*  trans-48.8105.7159.500000104.6I433 K437I433-A435 PolarHBondContact O-N 2.9Å; A435-K437 VanDerWaalsContact C-N 3.3Å; A435-K437 PolarHBondContact O-N 3.14Å
436A34.2Very low47.1Very low80 Ų80101.8 Ų101.866%0.66157%0.571SS**  trans-54.6102.4-176.900000106.7E434 N438E434-A436 VanDerWaalsContact C-N 3.26Å; E434-A436 PolarHBondContact O-N 2.73Å; A436-N438 PolarHBondContact O-N 2.94Å
437K31.6Very low45.3Very low198 Ų198104 Ų10486%0.86158%0.581SS**  trans-7182.8167.5-78.2-175.6178.1177.20104.8A435 P439A435-K437 VanDerWaalsContact C-N 3.3Å; A435-K437 PolarHBondContact O-N 3.14Å; K437-P439 WeakPolarHBondContact O-CD 3.43Å
438N36.3Very low43.6Very low99 Ų99107.9 Ų107.953%0.52960%0.596SS.*  trans-63.8113.5162.8-97.1-16.4000106.5A436 D440 L441A436-N438 PolarHBondContact O-N 2.94Å; N438-D440 PolarHBondContact O-N 3.44Å; N438-D440 VanDerWaalsContact O-N 3.15Å; N438-L441 HydrophobicContact CB-CD1 4Å
439P32.8Very low42.4Very low125 Ų125108.3 Ų108.381%0.81260%0.599SS**THydrogen-bonded Turntrans-70.7-5.6-176.2-16.832.7000113.9K437K437-P439 WeakPolarHBondContact O-CD 3.43Å
440D33.2Very low41.7Very low149 Ų149105.5 Ų105.580%0.79758%0.581SS**THydrogen-bonded Turntrans-110.510.9-166.2-95.4-9.3000115.8N438N438-D440 PolarHBondContact O-N 3.44Å; N438-D440 VanDerWaalsContact O-N 3.15Å
441L38.3Very low41.4Very low94 Ų94109 Ų10949%0.49259%0.588SS.*  trans-118.384.5-174.6-69.5163.3000111.7N438N438-L441 HydrophobicContact CB-CD1 4Å
442T37.6Very low41.1Very low88 Ų88111.9 Ų111.954%0.5461%0.605SS.*  trans-65.7137.715745.50000109.1E444 H445T442-E444 PolarHBondContact O-N 2.82Å; T442-H445 PolarHBondContact O-N 3.37Å; T442-H445 PolarHBondContact OG1-CD2 3.48Å
443S45.2Very low41.8Very low98 Ų98109.4 Ų109.469%0.68559%0.589SS**THydrogen-bonded Turntrans-60.50.9-173.845.30000116.4
444E41Very low42.4Very low152 Ų152110.7 Ų110.771%0.7159%0.59SS**THydrogen-bonded Turntrans-93.7-25.6-174.7-66.2-177.1166.400112.9T442 V446T442-E444 PolarHBondContact O-N 2.82Å; E444-V446 VanDerWaalsContact C-N 3.35Å; E444-V446 PolarHBondContact O-N 2.77Å
445H43.6Very low43.7Very low107 Ų107104.6 Ų104.650%0.49556%0.563SS.*THydrogen-bonded Turntrans-80-6.5-175.1-66.5-56.9000115.6T442T442-H445 PolarHBondContact O-N 3.37Å; T442-H445 PolarHBondContact OG1-CD2 3.48Å
446V46.9Very low44.9Very low43 Ų43104.4 Ų104.426%0.26156%0.556SS.*THydrogen-bonded Turntrans-79.5-26.3-178.7-177.60000112.1E444 K745 L748E444-V446 VanDerWaalsContact C-N 3.35Å; E444-V446 PolarHBondContact O-N 2.77Å; V446-K745 HydrophobicContact CG1-CG 3.8Å; V446-L748 HydrophobicContact CG1-CD1 4.22Å
447E45.4Very low46.1Very low116 Ų116102 Ų10254%0.54253%0.531SS..THydrogen-bonded Turntrans-90.2-27.8-173.8-73.9178-169.800113.9K791E447-K791 IonicContact OE1-NZ 3.81Å; E447-K791 PolarHBondContact OE1-NZ 2.97Å
448E44.8Very low47.5Very low146 Ų14698.8 Ų98.868%0.68252%0.52SS*.SBendtrans-86.8-16.9-170.8-71.4-172.1154.700115.7
449D50.8Low48.7Very low92 Ų92100.2 Ų100.249%0.49253%0.527SS..SBendtrans-78-24.4-167.5-84-20.1000116V453 K745D449-V453 WeakPolarHBondContact O-CG2 3.36Å; D449-K745 IonicContact OD2-NZ 2.98Å; D449-K745 PolarHBondContact OD2-NZ 3.09Å
450L50.6Low50.4Low33 Ų3396.3 Ų96.317%0.17350%0.501CS..SBendtrans-94.9-23.9-168.3-79.3166.1000114.5N452 K745 Q749 W884L450-N452 VanDerWaalsContact C-N 3.3Å; L450-K745 HydrophobicContact CD1-CB 3.93Å; L450-K745 HydrophobicContact CD1-CD 4.32Å; L450-K745 HydrophobicContact CD1-CG 4.43Å; L450-Q749 HydrophobicContact CD1-CG 4.12Å; L450-W884 HydrophobicContact CD1-CE3 4.47Å; L450-W884 HydrophobicContact CD2-CD2 4.32Å; L450-W884 HydrophobicContact CD2-CE3 3.67Å; L450-W884 HydrophobicContact CD2-CZ3 4.3Å
451E49.2Very low52.4Low130 Ų13095.8 Ų95.861%0.60749%0.492SS*.THydrogen-bonded Turntrans-80.6-12.8-179-65.8-173.1173.300112.8K752E451-K752 IonicContact OE1-NZ 3.79Å; E451-K752 PolarHBondContact OE1-NZ 3.13Å
452N48.1Very low54.4Low145 Ų14591.5 Ų91.578%0.77547%0.47SS*.THydrogen-bonded Turntrans-119.714.5-176.8-85.7-32.1000114.9L450 K454L450-N452 VanDerWaalsContact C-N 3.3Å; N452-K454 PolarHBondContact O-N 2.82Å; N452-K454 VanDerWaalsContact O-N 3.11Å
453V56.5Low56.6Low53 Ų5387.3 Ų87.332%0.32144%0.444SS..  trans-76103.4175.5-170.20000109.9D449 K881 H882D449-V453 WeakPolarHBondContact O-CG2 3.36Å; V453-K881 HydrophobicContact CB-CB 4.4Å; V453-K881 HydrophobicContact CG1-CB 3.9Å; V453-K881 HydrophobicContact CG2-CB 4.18Å; V453-H882 HydrophobicContact CG1-CB 4.41Å
454K56.4Low58.4Low144 Ų14482.7 Ų82.763%0.62641%0.412SS*.  trans-61.3145.6171.1-68.1-172.4176.9-173.80110.9N452 P456N452-K454 PolarHBondContact O-N 2.82Å; N452-K454 VanDerWaalsContact O-N 3.11Å; K454-P456 WeakPolarHBondContact O-CD 3.43Å
455N62.4Low60.5Low40 Ų4076.3 Ų76.321%0.21438%0.383CS..  trans-63124.1175-179-12.5000108.9L457 E458 H882N455-L457 PolarHBondContact O-N 3.35Å; N455-L457 WeakPolarHBondContact OD1-CB 3.44Å; N455-L457 WeakPolarHBondContact OD1-CG 2.98Å; N455-L457 PolarHBondContact OD1-N 2.9Å; N455-E458 HydrophobicContact CB-CG 4.06Å; N455-E458 VanDerWaalsContact O-CB 3.25Å; N455-E458 WeakPolarHBondContact O-CB 3.47Å; N455-E458 PolarHBondContact O-N 3.08Å; N455-H882 HydrophobicContact CB-CB 4.36Å; N455-H882 PolarHBondContact OD1-CE1 3.47Å; N455-H882 PolarHBondContact OD1-NE2 3.4Å
456P57.7Low62.3Low60 Ų6072.8 Ų72.839%0.3937%0.368SS..Hα-helixtrans-55.2-27.2178-24.133000113.4K454 E458 D459 V460 H882K454-P456 WeakPolarHBondContact O-CD 3.43Å; P456-E458 PolarHBondContact O-N 3.39Å; P456-D459 PolarHBondContact O-N 3.13Å; P456-D459 VanDerWaalsContact O-N 3.15Å; P456-V460 WeakPolarHBondContact O-CG2 3.36Å; P456-V460 PolarHBondContact O-N 3.22Å; P456-H882 WeakPolarHBondContact CD-ND1 3.4Å
457L59.2Low63.7Low29 Ų2975.6 Ų75.615%0.15239%0.389CS..Hα-helixtrans-64.4-23.1174.4-63.7174.6000113N455 D459 V460 P511 D563 V564N455-L457 PolarHBondContact O-N 3.35Å; N455-L457 WeakPolarHBondContact OD1-CB 3.44Å; N455-L457 WeakPolarHBondContact OD1-CG 2.98Å; N455-L457 PolarHBondContact OD1-N 2.9Å; L457-D459 VanDerWaalsContact C-N 3.32Å; L457-V460 PolarHBondContact O-N 3.19Å; L457-P511 HydrophobicContact CD2-CB 3.96Å; L457-D563 HydrophobicContact CD1-CB 4.42Å; L457-D563 HydrophobicContact CD2-CB 4.02Å; L457-D563 WeakPolarHBondContact CD2-O 3.45Å; L457-V564 HydrophobicContact CD2-CG2 3.8Å
458E61.4Low65.1Low132 Ų13274.2 Ų74.262%0.61739%0.392SS*.Hα-helixtrans-70.4-29.1173.9-67.3171.3-165.600112.1N455 P456N455-E458 HydrophobicContact CB-CG 4.06Å; N455-E458 VanDerWaalsContact O-CB 3.25Å; N455-E458 WeakPolarHBondContact O-CB 3.47Å; N455-E458 PolarHBondContact O-N 3.08Å; P456-E458 PolarHBondContact O-N 3.39Å
459D62.3Low66.5Low128 Ų12868.6 Ų68.668%0.68437%0.374SS*.Hα-helixtrans-88.2-11.3178.8-68.5-32.9000112.8P456 L457 K461P456-D459 PolarHBondContact O-N 3.13Å; P456-D459 VanDerWaalsContact O-N 3.15Å; L457-D459 VanDerWaalsContact C-N 3.32Å; D459-K461 PolarHBondContact O-N 2.95Å
460V68.6Low67.8Low44 Ų4469.7 Ų69.727%0.26738%0.376SS..SBendtrans-73.2117.5177.31760000109.8P456 L457 A462 V509 V564P456-V460 WeakPolarHBondContact O-CG2 3.36Å; P456-V460 PolarHBondContact O-N 3.22Å; L457-V460 PolarHBondContact O-N 3.19Å; V460-A462 PolarHBondContact O-N 3.28Å; V460-V509 HydrophobicContact CG1-CG1 3.64Å; V460-V564 HydrophobicContact CG1-CG1 4.38Å; V460-V564 HydrophobicContact CG2-CG2 4.17Å
461K75Confident69.2Low137 Ų13769.9 Ų69.960%0.59638%0.376SS*.  trans-68.495.5168.4-67.7-174.9-177.7178.30110.1D459 L465D459-K461 PolarHBondContact O-N 2.95Å; K461-L465 HydrophobicContact CB-CD2 4.28Å
462A79.7Confident70.8Confident4 Ų464.3 Ų64.33%0.03335%0.35CS..  trans-77.4162.2178.500000112.7V460 Q471 P511 S602 P605V460-A462 PolarHBondContact O-N 3.28Å; A462-Q471 PolarHBondContact O-NE2 3.44Å; A462-P511 HydrophobicContact CB-CG 4.13Å; A462-S602 VanDerWaalsContact CB-O 3.3Å; A462-S602 WeakPolarHBondContact CB-O 3.42Å; A462-P605 HydrophobicContact CB-CB 4.39Å; A462-P605 HydrophobicContact CB-CG 4.02Å; A462-P605 WeakPolarHBondContact O-CG 3.32Å
463G83.9Confident72.5Confident1 Ų159.7 Ų59.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans96.9-161.6179.400000113.7Y496 V509G463-Y496 WeakPolarHBondContact CA-OH 3.42Å; G463-V509 PolarHBondContact N-O 3.43Å; G463-V509 PolarHBondContact O-N 2.95Å
464L83.7Confident73.9Confident0 Ų057.8 Ų57.80%032%0.316CS..EExtended strand (participates in β ladder)trans-87.4121.6179.7-168.266.9000110.2Q471 L472 Y496 A506 Y508 V569 L572 V578 I580L464-Q471 WeakPolarHBondContact O-CA 3.24Å; L464-L472 HydrophobicContact CB-CB 4.41Å; L464-L472 HydrophobicContact CD2-CD2 3.94Å; L464-L472 PolarHBondContact O-N 3.29Å; L464-Y496 HydrophobicContact CB-CD1 3.89Å; L464-Y496 HydrophobicContact CB-CD2 4.09Å; L464-Y496 HydrophobicContact CB-CE1 3.86Å; L464-Y496 HydrophobicContact CB-CE2 4.05Å; L464-Y496 HydrophobicContact CB-CG 4.01Å; L464-Y496 HydrophobicContact CD2-CD1 4.43Å; L464-Y496 HydrophobicContact CD2-CD2 4.07Å; L464-Y496 HydrophobicContact CD2-CG 3.87Å; L464-A506 HydrophobicContact CD1-CB 3.76Å; L464-A506 HydrophobicContact CD2-CB 4.41Å; L464-A506 HydrophobicContact CG-CB 4.01Å; L464-Y508 HydrophobicContact CD1-CD2 4.49Å; L464-V569 HydrophobicContact CD1-CB 4.07Å; L464-V569 HydrophobicContact CD1-CG1 4.44Å; L464-V569 HydrophobicContact CD1-CG2 3.8Å; L464-L572 HydrophobicContact CD2-CD1 3.86Å; L464-V578 HydrophobicContact CD2-CG1 3.7Å; L464-I580 HydrophobicContact CD1-CD1 4.16Å
465L84.3Confident75.3Confident19 Ų1953.5 Ų53.510%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-113.4144.4-175.4-50.5179.2000110.3K461 Q470 Q471 A506 K507 V509K461-L465 HydrophobicContact CB-CD2 4.28Å; L465-Q470 CarbonylContact C-O 3.18Å; L465-Q470 WeakPolarHBondContact CA-O 3.33Å; L465-Q471 HydrophobicContact CD2-CB 3.84Å; L465-Q471 HydrophobicContact CD2-CG 3.91Å; L465-A506 CarbonylContact O-C 3.53Å; L465-A506 WeakPolarHBondContact O-CA 3.35Å; L465-K507 WeakPolarHBondContact CB-O 3.46Å; L465-K507 PolarHBondContact N-O 2.9Å; L465-K507 PolarHBondContact O-N 3.26Å; L465-V509 HydrophobicContact CD1-CB 4.43Å; L465-V509 HydrophobicContact CD1-CG2 3.67Å; L465-V509 HydrophobicContact CG-CG2 4.36Å
466D82.3Confident76.5Confident33 Ų3351.9 Ų51.918%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-83-179.4168.872.217.6000112.7S468 G469 Q470 L472 E505D466-S468 PolarHBondContact O-N 3.48Å; D466-S468 WeakPolarHBondContact OD1-CA 3.37Å; D466-S468 WeakPolarHBondContact OD1-CB 3.46Å; D466-S468 PolarHBondContact OD1-N 2.79Å; D466-S468 PolarHBondContact OD1-OG 2.94Å; D466-S468 PolarHBondContact OD2-OG 3.5Å; D466-G469 PolarHBondContact O-N 3.39Å; D466-G469 PolarHBondContact OD1-N 3.34Å; D466-G469 VanDerWaalsContact OD1-N 3.13Å; D466-Q470 PolarHBondContact N-O 2.9Å; D466-Q470 PolarHBondContact OD1-N 2.86Å; D466-L472 HydrophobicContact CB-CD1 4.27Å; D466-E505 CarbonylContact C-O 3.55Å; D466-E505 WeakPolarHBondContact CA-O 3.28Å
467S75.3Confident78.1Confident101 Ų10149 Ų4971%0.70627%0.272SS*.THydrogen-bonded Turntrans-63.7-17.5179.957.40000114.7E505S467-E505 PolarHBondContact N-O 2.86Å; S467-E505 VanDerWaalsContact N-O 3.08Å
468S75.6Confident79.7Confident88 Ų8848.4 Ų48.462%0.61527%0.268SS*.THydrogen-bonded Turntrans-90.6-3173.777.30000113D466 Q470D466-S468 PolarHBondContact O-N 3.48Å; D466-S468 WeakPolarHBondContact OD1-CA 3.37Å; D466-S468 WeakPolarHBondContact OD1-CB 3.46Å; D466-S468 PolarHBondContact OD1-N 2.79Å; D466-S468 PolarHBondContact OD1-OG 2.94Å; D466-S468 PolarHBondContact OD2-OG 3.5Å; S468-Q470 VanDerWaalsContact C-N 3.33Å
469G73.3Confident81.2Confident28 Ų2842.1 Ų42.129%0.28924%0.238SC..SBendtrans7817.6-174.500000113.4D466D466-G469 PolarHBondContact O-N 3.39Å; D466-G469 PolarHBondContact OD1-N 3.34Å; D466-G469 VanDerWaalsContact OD1-N 3.13Å
470Q79.1Confident82.8Confident115 Ų11537 Ų3754%0.53721%0.21SC..PPolyproline II helixtrans-86133.1174.3-176.4172.60.800110L465 D466 S468L465-Q470 CarbonylContact C-O 3.18Å; L465-Q470 WeakPolarHBondContact CA-O 3.33Å; D466-Q470 PolarHBondContact N-O 2.9Å; D466-Q470 PolarHBondContact OD1-N 2.86Å; S468-Q470 VanDerWaalsContact C-N 3.33Å
471Q79.2Confident84.1Confident37 Ų3735 Ų3517%0.17320%0.198CC..BIsolated β-bridgetrans-81.3135.4-175.4-164.5-168.7-21.500111.5A462 L464 L465 P605A462-Q471 PolarHBondContact O-NE2 3.44Å; L464-Q471 WeakPolarHBondContact O-CA 3.24Å; L465-Q471 HydrophobicContact CD2-CB 3.84Å; L465-Q471 HydrophobicContact CD2-CG 3.91Å; Q471-P605 VanDerWaalsContact NE2-CG 3.31Å; Q471-P605 PolarHBondContact NE2-O 3.32Å
472L83.2Confident85.1Confident13 Ų1332 Ų327%0.06818%0.184CC..PPolyproline II helixtrans-76.2142.7173.5-89.173.4000110.9L464 D466 L474 Y496 I504L464-L472 HydrophobicContact CB-CB 4.41Å; L464-L472 HydrophobicContact CD2-CD2 3.94Å; L464-L472 PolarHBondContact O-N 3.29Å; D466-L472 HydrophobicContact CB-CD1 4.27Å; L472-L474 PolarHBondContact O-N 3.43Å; L472-Y496 HydrophobicContact CB-CD1 4.22Å; L472-I504 HydrophobicContact CD1-CD1 3.7Å; L472-I504 HydrophobicContact CD2-CD1 3.45Å; L472-I504 VanDerWaalsContact CD2-CD1 3.45Å; L472-I504 HydrophobicContact CG-CD1 4.06Å
473P83.1Confident85.9Confident48 Ų4831.9 Ų31.931%0.31218%0.184SC..PPolyproline II helixtrans-60.5120.6176.1-21.832.5000111.6
474L85.7Confident86.4Confident12 Ų1232.2 Ų32.26%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-72.9131.9168.5-176.263.8000109.1L472 V477 Q494 Y496 A604 W606L472-L474 PolarHBondContact O-N 3.43Å; L474-V477 HydrophobicContact CD1-CG2 4.02Å; L474-V477 HydrophobicContact CD2-CG2 3.34Å; L474-V477 HydrophobicContact CG-CG2 3.87Å; L474-Q494 HydrophobicContact CD1-CB 3.81Å; L474-Q494 HydrophobicContact CD1-CG 4.04Å; L474-Y496 HydrophobicContact CB-CD1 4.36Å; L474-Y496 HydrophobicContact CB-CE1 3.89Å; L474-Y496 HydrophobicContact CD1-CD1 4.17Å; L474-Y496 HydrophobicContact CD1-CE1 3.61Å; L474-Y496 HydrophobicContact CD1-CE2 4.02Å; L474-Y496 HydrophobicContact CG-CE1 4.33Å; L474-A604 HydrophobicContact CD2-CB 4.17Å; L474-W606 HydrophobicContact CB-CE3 3.95Å; L474-W606 HydrophobicContact CB-CZ3 3.96Å; L474-W606 HydrophobicContact CD2-CD2 4.28Å; L474-W606 HydrophobicContact CD2-CE3 4.04Å; L474-W606 HydrophobicContact CD2-CH2 4.09Å; L474-W606 HydrophobicContact CD2-CZ2 4.3Å; L474-W606 HydrophobicContact CD2-CZ3 3.96Å; L474-W606 HydrophobicContact CG-CE3 4.05Å; L474-W606 HydrophobicContact CG-CH2 4.07Å; L474-W606 HydrophobicContact CG-CZ3 3.69Å; L474-W606 VanDerWaalsContact O-CZ3 3.22Å; L474-W606 WeakPolarHBondContact O-CZ3 3.34Å
475Q86.5Confident87Confident55 Ų5532.2 Ų32.226%0.25719%0.185SC..EExtended strand (participates in β ladder)trans-100.9-43.4-179-68.1-177.9-4.300112.8K495 T497 E632Q475-K495 HydrophobicContact CB-CD 4.48Å; Q475-K495 HydrophobicContact CB-CG 4.48Å; Q475-K495 PolarHBondContact N-O 2.95Å; Q475-K495 VanDerWaalsContact OE1-CE 3.3Å; Q475-T497 VanDerWaalsContact NE2-CB 3.27Å; Q475-T497 PolarHBondContact NE2-OG1 2.69Å; Q475-T497 PolarHBondContact OE1-OG1 3.37Å; Q475-E632 PolarHBondContact O-N 3.29Å
476A87.4Confident87.5Confident5 Ų531.3 Ų31.34%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-148146-17600000111Q494 K495 E632A476-Q494 WeakPolarHBondContact O-CA 3.14Å; A476-K495 HydrophobicContact CB-CB 4.15Å; A476-K495 PolarHBondContact O-N 2.94Å; A476-E632 CarbonylContact C-O 3.52Å; A476-E632 VanDerWaalsContact CA-O 3.31Å; A476-E632 WeakPolarHBondContact CA-O 3.43Å; A476-E632 HydrophobicContact CB-CB 3.96Å
477V90.7Very high88.1Confident1 Ų129.7 Ų29.71%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-131.1123.1173.9-175.90000109.4L474 V479 I492 F493 Q494 A604 W606 E632 F633 T634L474-V477 HydrophobicContact CD1-CG2 4.02Å; L474-V477 HydrophobicContact CD2-CG2 3.34Å; L474-V477 HydrophobicContact CG-CG2 3.87Å; V477-V479 HydrophobicContact CG1-CG2 3.99Å; V477-I492 HydrophobicContact CG1-CG2 4.18Å; V477-F493 VanDerWaalsContact CA-O 3.3Å; V477-F493 WeakPolarHBondContact CA-O 3.39Å; V477-Q494 HydrophobicContact CG2-CG 4.29Å; V477-A604 HydrophobicContact CG2-CB 3.95Å; V477-W606 HydrophobicContact CB-CZ2 4.5Å; V477-W606 HydrophobicContact CG2-CH2 3.92Å; V477-W606 HydrophobicContact CG2-CZ2 3.89Å; V477-E632 PolarHBondContact N-O 2.77Å; V477-F633 HydrophobicContact CB-CD2 4.33Å; V477-F633 HydrophobicContact CG1-CD2 4.45Å; V477-F633 WeakPolarHBondContact O-CA 3.16Å; V477-T634 PolarHBondContact O-N 3Å
478H92.7Very high89Confident16 Ų1624.9 Ų24.97%0.07414%0.138CC..EExtended strand (participates in β ladder)trans-120.6129.2173-50.1-92.1000109.4F493 E632 T634 I1045H478-F493 HydrophobicContact CB-CB 4.15Å; H478-F493 HydrophobicContact CB-CD2 4.4Å; H478-F493 PolarHBondContact N-O 3.36Å; H478-F493 PolarHBondContact O-N 3Å; H478-E632 IonicContact CE1-OE1 3.61Å; H478-T634 WeakPolarHBondContact CA-O 3.45Å; H478-T634 WeakPolarHBondContact CB-OG1 3.38Å; H478-T634 PolarHBondContact ND1-OG1 3.33Å; H478-I1045 HydrophobicContact CB-CD1 4.09Å; H478-I1045 HydrophobicContact CB-CG1 4.37Å; H478-I1045 HydrophobicContact CB-CG2 4.19Å; H478-I1045 WeakPolarHBondContact CD2-CD1 3.35Å
479V93.9Very high90Very high0 Ų021.7 Ų21.70%011%0.113CC..EExtended strand (participates in β ladder)trans-120.3126.4-176.7-175.60000109.5V477 V490 I491 L599 F633 T634 L635 D636V477-V479 HydrophobicContact CG1-CG2 3.99Å; V479-V490 HydrophobicContact CG1-CG1 3.83Å; V479-I491 WeakPolarHBondContact CA-O 3.45Å; V479-L599 HydrophobicContact CG1-CD2 3.98Å; V479-L599 HydrophobicContact CG2-CD2 3.98Å; V479-F633 HydrophobicContact CG2-CE2 4.26Å; V479-T634 PolarHBondContact N-O 3.19Å; V479-L635 HydrophobicContact CB-CB 4.15Å; V479-L635 HydrophobicContact CB-CD1 4.11Å; V479-L635 HydrophobicContact CB-CG 4.03Å; V479-L635 HydrophobicContact CG1-CD1 4.11Å; V479-L635 HydrophobicContact CG1-CG 4.21Å; V479-L635 WeakPolarHBondContact O-CA 3.33Å; V479-D636 PolarHBondContact O-N 2.75Å
480K96.1Very high90.9Very high21 Ų2120.3 Ų20.39%0.09110%0.099CC..EExtended strand (participates in β ladder)trans-115.5126.6169.8-60.7-65.3-170.5175.50108.1I491 D636 E1048 V1050K480-I491 HydrophobicContact CB-CB 4.31Å; K480-I491 PolarHBondContact N-O 3.09Å; K480-I491 PolarHBondContact O-N 2.89Å; K480-D636 HydrophobicContact CD-CB 4.12Å; K480-D636 IonicContact NZ-OD2 3.61Å; K480-D636 PolarHBondContact NZ-OD2 2.89Å; K480-E1048 WeakPolarHBondContact CD-O 3.38Å; K480-E1048 HydrophobicContact CG-CB 4.12Å; K480-E1048 WeakPolarHBondContact CG-O 3.11Å; K480-V1050 HydrophobicContact CB-CG1 3.99Å; K480-V1050 HydrophobicContact CD-CG1 4.42Å; K480-V1050 HydrophobicContact CD-CG2 4.22Å
481C95.8Very high91.7Very high0 Ų015.3 Ų15.30%08%0.076CC..EExtended strand (participates in β ladder)trans-131.5138.9-174.3-177.60000111.6L483 Q489 F597 D636 I637 S638C481-L483 WeakPolarHBondContact SG-CD2 3.44Å; C481-Q489 CarbonylContact C-O 3.53Å; C481-Q489 VanDerWaalsContact CA-O 3.31Å; C481-Q489 WeakPolarHBondContact CA-O 3.38Å; C481-F597 VanDerWaalsContact SG-CZ 3.59Å; C481-D636 PolarHBondContact N-O 3.43Å; C481-I637 HydrophobicContact CB-CB 4.29Å; C481-I637 HydrophobicContact CB-CG1 3.78Å; C481-I637 HydrophobicContact CB-CG2 4.26Å; C481-I637 CarbonylContact O-C 3.6Å; C481-I637 WeakPolarHBondContact O-CA 3.36Å; C481-S638 PolarHBondContact O-N 3.44Å; C481-S638 PolarHBondContact O-OG 2.95Å
482K96.1Very high92.3Very high74 Ų7413.6 Ų13.632%0.3227%0.068SC..EExtended strand (participates in β ladder)trans-120.3116.4171.7-56.4-177.9-179.7165.50108.4S488 Q489 S638 V1050K482-S488 CarbonylContact O-C 3.6Å; K482-S488 WeakPolarHBondContact O-CA 3.39Å; K482-Q489 HydrophobicContact CB-CB 4.39Å; K482-Q489 PolarHBondContact N-O 3.09Å; K482-Q489 PolarHBondContact O-N 2.81Å; K482-S638 WeakPolarHBondContact CA-OG 3.32Å; K482-S638 WeakPolarHBondContact CG-OG 3.32Å; K482-V1050 HydrophobicContact CG-CG1 4.13Å
483L96.1Very high92.8Very high3 Ų313 Ų132%0.0167%0.065CC..EExtended strand (participates in β ladder)trans-102.6125.5173.2-55.8-172.9000108.7C481 L487 S488 L588 F597 I637 S638 V639 E640 M681C481-L483 WeakPolarHBondContact SG-CD2 3.44Å; L483-L487 WeakPolarHBondContact CA-O 3.33Å; L483-S488 VanDerWaalsContact CD2-CB 3.4Å; L483-L588 HydrophobicContact CD2-CD1 4.21Å; L483-F597 HydrophobicContact CD1-CB 3.93Å; L483-F597 HydrophobicContact CD1-CD1 4.46Å; L483-F597 HydrophobicContact CD1-CG 4.07Å; L483-F597 HydrophobicContact CD2-CB 4.49Å; L483-F597 HydrophobicContact CD2-CD2 3.72Å; L483-F597 HydrophobicContact CD2-CE2 4.07Å; L483-F597 HydrophobicContact CD2-CG 4.06Å; L483-I637 HydrophobicContact CD1-CG2 3.83Å; L483-I637 HydrophobicContact CG-CG2 3.73Å; L483-S638 PolarHBondContact N-O 3.5Å; L483-V639 HydrophobicContact CB-CG2 4.47Å; L483-V639 HydrophobicContact CD1-CG2 4.24Å; L483-V639 CarbonylContact O-C 3.42Å; L483-V639 WeakPolarHBondContact O-CA 3.39Å; L483-E640 PolarHBondContact O-N 2.89Å; L483-M681 HydrophobicContact CD1-CE 3.44Å; L483-M681 VanDerWaalsContact CD1-CE 3.44Å
484M94.9Very high93.2Very high7 Ų710.8 Ų10.83%0.0345%0.051CC..EExtended strand (participates in β ladder)trans-130104.6176-175.4179.870.300108.3L486 L487 E640 W694 T967 F971 L972M484-L486 PolarHBondContact O-N 2.97Å; M484-L486 VanDerWaalsContact O-N 3.08Å; M484-L487 HydrophobicContact CE-CD1 3.66Å; M484-L487 PolarHBondContact N-O 2.88Å; M484-L487 WeakPolarHBondContact O-CB 3.33Å; M484-L487 PolarHBondContact O-N 3.04Å; M484-E640 CarbonylContact C-O 3.56Å; M484-E640 WeakPolarHBondContact CA-O 3.49Å; M484-W694 HydrophobicContact CE-CE3 4.39Å; M484-W694 HydrophobicContact CG-CD2 4.09Å; M484-W694 HydrophobicContact CG-CE3 3.78Å; M484-W694 HydrophobicContact CG-CH2 3.68Å; M484-W694 HydrophobicContact CG-CZ2 3.98Å; M484-W694 HydrophobicContact CG-CZ3 3.56Å; M484-W694 HydrophobicContact SD-CD2 4.13Å; M484-W694 HydrophobicContact SD-CE3 3.48Å; M484-W694 HydrophobicContact SD-CH2 4.35Å; M484-W694 HydrophobicContact SD-CZ3 3.61Å; M484-T967 HydrophobicContact SD-CG2 3.83Å; M484-F971 HydrophobicContact CB-CD1 4.48Å; M484-F971 HydrophobicContact CB-CE1 3.81Å; M484-F971 HydrophobicContact CE-CD1 4.13Å; M484-F971 HydrophobicContact CE-CE1 4.18Å; M484-L972 HydrophobicContact CE-CB 4.26Å
485D94.9Very high93.4Very high0 Ų013.2 Ų13.20%06%0.06CC..THydrogen-bonded Turntrans54-111.4-176.1-162.3-9.2000112.1E640 R692 W694 M707D485-E640 PolarHBondContact N-O 3.29Å; D485-R692 VanDerWaalsContact CG-NE 3.32Å; D485-R692 IonicContact OD1-CZ 2.76Å; D485-R692 IonicContact OD1-NE 3.56Å; D485-R692 PolarHBondContact OD1-NE 3.24Å; D485-R692 VanDerWaalsContact OD1-NE 3.12Å; D485-R692 IonicContact OD1-NH2 2.69Å; D485-R692 PolarHBondContact OD1-NH2 2.97Å; D485-R692 WeakPolarHBondContact OD2-CD 3.34Å; D485-R692 IonicContact OD2-CZ 2.61Å; D485-R692 IonicContact OD2-NE 2.73Å; D485-R692 PolarHBondContact OD2-NE 3.01Å; D485-R692 IonicContact OD2-NH2 3.33Å; D485-W694 HydrophobicContact CB-CZ2 4.01Å; D485-W694 PolarHBondContact OD2-NE1 3.32Å; D485-M707 HydrophobicContact CB-CE 4.35Å
486L94.8Very high93.5Very high0 Ų010.6 Ų10.60%05%0.048CC..THydrogen-bonded Turntrans-96.516.9176.7-58.5-170.8000113.4M484 E587 L588 V590 I595 V709 H931 L933M484-L486 PolarHBondContact O-N 2.97Å; M484-L486 VanDerWaalsContact O-N 3.08Å; L486-E587 CarbonylContact O-C 3.41Å; L486-E587 WeakPolarHBondContact O-CA 3.28Å; L486-L588 WeakPolarHBondContact O-CB 3.32Å; L486-L588 PolarHBondContact O-N 3.33Å; L486-V590 HydrophobicContact CD1-CG2 3.99Å; L486-V590 HydrophobicContact CD2-CG2 3.48Å; L486-V590 VanDerWaalsContact CD2-CG2 3.48Å; L486-V590 HydrophobicContact CG-CG2 4.42Å; L486-I595 HydrophobicContact CD2-CB 4.42Å; L486-I595 HydrophobicContact CD2-CD1 3.73Å; L486-I595 HydrophobicContact CD2-CG1 3.65Å; L486-I595 HydrophobicContact CD2-CG2 3.95Å; L486-V709 HydrophobicContact CD1-CG1 3.53Å; L486-V709 HydrophobicContact CG-CG1 4.13Å; L486-H931 HydrophobicContact CD1-CB 4.04Å; L486-L933 HydrophobicContact CB-CD2 4.45Å; L486-L933 HydrophobicContact CD1-CD2 4.15Å
487L95.3Very high93.4Very high0 Ų011.4 Ų11.40%05%0.053CC..EExtended strand (participates in β ladder)trans-117.4145.3-176.4-51.8-178.1000110.9L483 M484 E587 M707 L933 Y935 F971 L972 L975L483-L487 WeakPolarHBondContact CA-O 3.33Å; M484-L487 HydrophobicContact CE-CD1 3.66Å; M484-L487 PolarHBondContact N-O 2.88Å; M484-L487 WeakPolarHBondContact O-CB 3.33Å; M484-L487 PolarHBondContact O-N 3.04Å; L487-E587 HydrophobicContact CD2-CG 4.42Å; L487-M707 HydrophobicContact CD1-CE 3.77Å; L487-M707 HydrophobicContact CD1-SD 3.46Å; L487-M707 WeakPolarHBondContact CD1-SD 3.39Å; L487-M707 HydrophobicContact CD2-SD 3.65Å; L487-M707 HydrophobicContact CG-CE 3.98Å; L487-M707 HydrophobicContact CG-SD 3.63Å; L487-L933 HydrophobicContact CD2-CD1 4.45Å; L487-Y935 HydrophobicContact CD2-CE1 4.43Å; L487-Y935 WeakPolarHBondContact CD2-OH 3.48Å; L487-F971 HydrophobicContact CB-CE1 4.08Å; L487-F971 HydrophobicContact CB-CE2 4.26Å; L487-F971 HydrophobicContact CB-CZ 3.51Å; L487-L972 HydrophobicContact CD1-CD1 3.93Å; L487-L975 HydrophobicContact CB-CD1 3.77Å; L487-L975 HydrophobicContact CD1-CD1 3.51Å; L487-L975 HydrophobicContact CD2-CD1 3.65Å; L487-L975 HydrophobicContact CG-CD1 3.81Å
488S95.3Very high93.1Very high0 Ų011.6 Ų11.60%05%0.054CC..EExtended strand (participates in β ladder)trans-126141.7168.685.30000112.6K482 L483 V585 S586 F971K482-S488 CarbonylContact O-C 3.6Å; K482-S488 WeakPolarHBondContact O-CA 3.39Å; L483-S488 VanDerWaalsContact CD2-CB 3.4Å; S488-V585 CarbonylContact O-C 3.56Å; S488-V585 WeakPolarHBondContact O-CA 3.3Å; S488-S586 PolarHBondContact N-O 3.05Å; S488-S586 PolarHBondContact O-N 3.4Å; S488-S586 PolarHBondContact OG-OG 3.34Å; S488-F971 WeakPolarHBondContact O-CE2 3.46Å
489Q95.1Very high92.6Very high20 Ų2017.3 Ų17.39%0.0938%0.081CC..EExtended strand (participates in β ladder)trans-117.8123.4162.5174.6174.774.700107.6C481 K482 T583 F584 V585 F971C481-Q489 CarbonylContact C-O 3.53Å; C481-Q489 VanDerWaalsContact CA-O 3.31Å; C481-Q489 WeakPolarHBondContact CA-O 3.38Å; K482-Q489 HydrophobicContact CB-CB 4.39Å; K482-Q489 PolarHBondContact N-O 3.09Å; K482-Q489 PolarHBondContact O-N 2.81Å; Q489-T583 HydrophobicContact CG-CG2 4.38Å; Q489-F584 WeakPolarHBondContact CA-O 3.32Å; Q489-V585 HydrophobicContact CB-CG1 4.18Å; Q489-V585 HydrophobicContact CG-CG1 4.26Å; Q489-F971 HydrophobicContact CB-CD2 3.78Å; Q489-F971 HydrophobicContact CB-CE1 4.36Å; Q489-F971 HydrophobicContact CB-CE2 3.62Å; Q489-F971 HydrophobicContact CB-CG 4.27Å; Q489-F971 HydrophobicContact CB-CZ 3.92Å
490V94.3Very high92Very high0 Ų019.3 Ų19.30%010%0.095CC..EExtended strand (participates in β ladder)trans-120.7127-178.5-171.10000108.8V479 I492 T583 F584 F597 L599V479-V490 HydrophobicContact CG1-CG1 3.83Å; V490-I492 HydrophobicContact CG1-CD1 3.91Å; V490-I492 HydrophobicContact CG1-CG1 3.65Å; V490-T583 WeakPolarHBondContact O-CA 3.48Å; V490-F584 HydrophobicContact CB-CD1 4.18Å; V490-F584 HydrophobicContact CB-CD2 4.31Å; V490-F584 HydrophobicContact CB-CE1 3.65Å; V490-F584 HydrophobicContact CB-CE2 3.79Å; V490-F584 HydrophobicContact CB-CG 4.49Å; V490-F584 HydrophobicContact CB-CZ 3.44Å; V490-F584 VanDerWaalsContact CB-CZ 3.44Å; V490-F584 HydrophobicContact CG1-CE1 3.81Å; V490-F584 HydrophobicContact CG1-CZ 3.73Å; V490-F584 HydrophobicContact CG2-CE1 4.47Å; V490-F584 HydrophobicContact CG2-CE2 3.77Å; V490-F584 HydrophobicContact CG2-CZ 3.77Å; V490-F584 PolarHBondContact N-O 3.48Å; V490-F584 PolarHBondContact O-N 2.88Å; V490-F597 HydrophobicContact CG2-CE2 3.98Å; V490-F597 HydrophobicContact CG2-CZ 4.12Å; V490-L599 HydrophobicContact CG1-CD1 4.33Å
491I94.8Very high91.2Very high9 Ų923.7 Ų23.75%0.04613%0.128CC..EExtended strand (participates in β ladder)trans-113.7121.7172.9-52.8174.9000107.2V479 K480 F493 K581 V582 T583 E1048V479-I491 WeakPolarHBondContact CA-O 3.45Å; K480-I491 HydrophobicContact CB-CB 4.31Å; K480-I491 PolarHBondContact N-O 3.09Å; K480-I491 PolarHBondContact O-N 2.89Å; I491-F493 HydrophobicContact CG2-CD2 4.3Å; I491-F493 HydrophobicContact CG2-CE2 3.62Å; I491-F493 HydrophobicContact CG2-CZ 3.96Å; I491-K581 HydrophobicContact CG2-CD 4.45Å; I491-K581 HydrophobicContact CG2-CG 4Å; I491-V582 CarbonylContact C-O 3.59Å; I491-V582 WeakPolarHBondContact CA-O 3.39Å; I491-T583 HydrophobicContact CG1-CG2 3.92Å; I491-E1048 HydrophobicContact CD1-CB 4.34Å; I491-E1048 HydrophobicContact CD1-CG 4.05Å; I491-E1048 VanDerWaalsContact CD1-OE2 3.24Å; I491-E1048 WeakPolarHBondContact CD1-OE2 3.42Å; I491-E1048 HydrophobicContact CG2-CG 4.47Å
492I92.8Very high90.4Very high1 Ų127.7 Ų27.71%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-120.3129-176.1-52.3-164.5000109.3V477 V490 Q494 F510 K581 V582 F584 L599 V603V477-I492 HydrophobicContact CG1-CG2 4.18Å; V490-I492 HydrophobicContact CG1-CD1 3.91Å; V490-I492 HydrophobicContact CG1-CG1 3.65Å; I492-Q494 HydrophobicContact CG2-CG 3.99Å; I492-F510 HydrophobicContact CD1-CE2 4.17Å; I492-F510 HydrophobicContact CD1-CZ 3.76Å; I492-K581 CarbonylContact O-C 3.57Å; I492-K581 VanDerWaalsContact O-CA 3.27Å; I492-K581 WeakPolarHBondContact O-CA 3.26Å; I492-V582 PolarHBondContact N-O 2.84Å; I492-V582 PolarHBondContact O-N 2.92Å; I492-F584 HydrophobicContact CD1-CE1 3.75Å; I492-F584 HydrophobicContact CD1-CZ 4.36Å; I492-F584 HydrophobicContact CG1-CE1 4.13Å; I492-L599 HydrophobicContact CD1-CD1 4.06Å; I492-V603 HydrophobicContact CD1-CG1 3.39Å; I492-V603 HydrophobicContact CD1-CG2 4.5Å; I492-V603 HydrophobicContact CG2-CG1 4.18Å
493F92.9Very high89.5Confident1 Ų127.6 Ų27.60%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-109.9121.9172.9-61.7-93.7000109.1V477 H478 I491 L579 I580 K581 I1045 E1048V477-F493 VanDerWaalsContact CA-O 3.3Å; V477-F493 WeakPolarHBondContact CA-O 3.39Å; H478-F493 HydrophobicContact CB-CB 4.15Å; H478-F493 HydrophobicContact CB-CD2 4.4Å; H478-F493 PolarHBondContact N-O 3.36Å; H478-F493 PolarHBondContact O-N 3Å; I491-F493 HydrophobicContact CG2-CD2 4.3Å; I491-F493 HydrophobicContact CG2-CE2 3.62Å; I491-F493 HydrophobicContact CG2-CZ 3.96Å; F493-L579 HydrophobicContact CB-CD1 4.25Å; F493-L579 HydrophobicContact CD1-CD2 4.18Å; F493-I580 CarbonylContact C-O 3.15Å; F493-I580 VanDerWaalsContact CA-O 3.32Å; F493-I580 WeakPolarHBondContact CA-O 3.48Å; F493-K581 HydrophobicContact CD1-CB 4.01Å; F493-K581 HydrophobicContact CD1-CD 4.41Å; F493-K581 HydrophobicContact CD1-CG 4.01Å; F493-K581 HydrophobicContact CE1-CB 4.04Å; F493-K581 HydrophobicContact CE1-CD 3.61Å; F493-K581 HydrophobicContact CE1-CG 3.65Å; F493-K581 HydrophobicContact CZ-CD 3.92Å; F493-K581 HydrophobicContact CZ-CG 4.04Å; F493-I1045 HydrophobicContact CB-CG1 4.47Å; F493-I1045 HydrophobicContact CD1-CG1 4.22Å; F493-I1045 HydrophobicContact CD2-CG1 4.21Å; F493-I1045 HydrophobicContact CE1-CG1 4.46Å; F493-I1045 HydrophobicContact CE2-CG1 4.48Å; F493-I1045 HydrophobicContact CG-CG1 4.06Å; F493-E1048 HydrophobicContact CE2-CG 4.27Å; F493-E1048 HydrophobicContact CZ-CB 4.49Å; F493-E1048 HydrophobicContact CZ-CG 3.85Å
494Q91.1Very high88.8Confident2 Ų228.3 Ų28.31%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-123.1126.4177.8-73.2170-17.200110.6L474 A476 V477 I492 Y496 Y508 L579 I580 V603L474-Q494 HydrophobicContact CD1-CB 3.81Å; L474-Q494 HydrophobicContact CD1-CG 4.04Å; A476-Q494 WeakPolarHBondContact O-CA 3.14Å; V477-Q494 HydrophobicContact CG2-CG 4.29Å; I492-Q494 HydrophobicContact CG2-CG 3.99Å; Q494-Y496 HydrophobicContact CB-CD2 4.41Å; Q494-Y496 HydrophobicContact CB-CE2 3.61Å; Q494-Y496 PolarHBondContact OE1-OH 2.59Å; Q494-Y508 PolarHBondContact OE1-OH 2.87Å; Q494-L579 WeakPolarHBondContact O-CA 3.42Å; Q494-I580 PolarHBondContact N-O 3.13Å; Q494-I580 PolarHBondContact O-N 2.85Å; Q494-V603 PolarHBondContact NE2-O 3.23Å
495K89.8Confident88Confident62 Ų6233.8 Ų33.827%0.2719%0.188SC..EExtended strand (participates in β ladder)trans-103.7125.4-179.8-173.4-175.7177.4-172.50110.9Q475 A476 T577 L579 I1041Q475-K495 HydrophobicContact CB-CD 4.48Å; Q475-K495 HydrophobicContact CB-CG 4.48Å; Q475-K495 PolarHBondContact N-O 2.95Å; Q475-K495 VanDerWaalsContact OE1-CE 3.3Å; A476-K495 HydrophobicContact CB-CB 4.15Å; A476-K495 PolarHBondContact O-N 2.94Å; K495-T577 HydrophobicContact CD-CG2 4.45Å; K495-T577 HydrophobicContact CG-CG2 4.02Å; K495-L579 HydrophobicContact CB-CD1 4.22Å; K495-I1041 HydrophobicContact CD-CD1 3.97Å; K495-I1041 HydrophobicContact CG-CD1 4.4Å
496Y88.1Confident87.4Confident0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-125.1155.8173.3-54.4-92.5000110.5G463 L464 L472 L474 Q494 Y508 T577 V578 I580G463-Y496 WeakPolarHBondContact CA-OH 3.42Å; L464-Y496 HydrophobicContact CB-CD1 3.89Å; L464-Y496 HydrophobicContact CB-CD2 4.09Å; L464-Y496 HydrophobicContact CB-CE1 3.86Å; L464-Y496 HydrophobicContact CB-CE2 4.05Å; L464-Y496 HydrophobicContact CB-CG 4.01Å; L464-Y496 HydrophobicContact CD2-CD1 4.43Å; L464-Y496 HydrophobicContact CD2-CD2 4.07Å; L464-Y496 HydrophobicContact CD2-CG 3.87Å; L472-Y496 HydrophobicContact CB-CD1 4.22Å; L474-Y496 HydrophobicContact CB-CD1 4.36Å; L474-Y496 HydrophobicContact CB-CE1 3.89Å; L474-Y496 HydrophobicContact CD1-CD1 4.17Å; L474-Y496 HydrophobicContact CD1-CE1 3.61Å; L474-Y496 HydrophobicContact CD1-CE2 4.02Å; L474-Y496 HydrophobicContact CG-CE1 4.33Å; Q494-Y496 HydrophobicContact CB-CD2 4.41Å; Q494-Y496 HydrophobicContact CB-CE2 3.61Å; Q494-Y496 PolarHBondContact OE1-OH 2.59Å; Y496-Y508 HydrophobicContact CE2-CE2 4.35Å; Y496-T577 WeakPolarHBondContact O-CA 3.43Å; Y496-V578 HydrophobicContact CD2-CG1 4.33Å; Y496-V578 HydrophobicContact CG-CG1 4.49Å; Y496-V578 PolarHBondContact N-O 3.01Å; Y496-V578 PolarHBondContact O-N 2.82Å; Y496-I580 HydrophobicContact CD2-CD1 4.17Å; Y496-I580 HydrophobicContact CE2-CD1 3.98Å
497T85.8Confident86.8Confident22 Ų2238.3 Ų38.314%0.13521%0.208CC..EExtended strand (participates in β ladder)trans-133.2133.6170.7-58.50000109.8Q475 Q499 A576 T577Q475-T497 VanDerWaalsContact NE2-CB 3.27Å; Q475-T497 PolarHBondContact NE2-OG1 2.69Å; Q475-T497 PolarHBondContact OE1-OG1 3.37Å; T497-Q499 PolarHBondContact O-N 2.84Å; T497-A576 CarbonylContact C-O 3.55Å; T497-A576 WeakPolarHBondContact CA-O 3.21Å; T497-T577 PolarHBondContact OG1-OG1 3.18Å
498N85.4Confident86.3Confident5 Ų538.3 Ų38.33%0.02721%0.208CC..  trans-72.9105.3170.4-178.710.8000109.8S500 V502 I504 L572 P573 G575 A576N498-S500 PolarHBondContact OD1-N 3.24Å; N498-S500 PolarHBondContact OD1-OG 2.66Å; N498-V502 PolarHBondContact ND2-O 3.12Å; N498-I504 HydrophobicContact CB-CD1 4.15Å; N498-I504 HydrophobicContact CB-CG1 4.49Å; N498-L572 PolarHBondContact ND2-O 3.07Å; N498-L572 VanDerWaalsContact ND2-O 3.08Å; N498-P573 WeakPolarHBondContact CB-O 3.39Å; N498-P573 PolarHBondContact ND2-O 3.11Å; N498-G575 WeakPolarHBondContact O-CA 3.45Å; N498-G575 PolarHBondContact O-N 2.79Å; N498-A576 PolarHBondContact N-O 2.9Å
499Q82.4Confident85.8Confident137 Ų13738.7 Ų38.764%0.6421%0.211SC*.  trans-87.1-5.7178.6-64.3-179-6.500113.4T497T497-Q499 PolarHBondContact O-N 2.84Å
500S79.9Confident85.1Confident42 Ų4237.9 Ų37.929%0.29421%0.207SC..SBendtrans-76154.3178.266.90000111.9N498 V502 I504 P574N498-S500 PolarHBondContact OD1-N 3.24Å; N498-S500 PolarHBondContact OD1-OG 2.66Å; S500-V502 PolarHBondContact O-N 2.97Å; S500-V502 PolarHBondContact OG-O 3.33Å; S500-I504 VanDerWaalsContact OG-CG2 3.29Å; S500-I504 WeakPolarHBondContact OG-CG2 3.47Å; S500-P574 WeakPolarHBondContact O-CA 3.29Å; S500-P574 WeakPolarHBondContact O-CB 3.46Å
501S79.4Confident84.3Confident112 Ų11238.3 Ų38.378%0.78321%0.21SC*.SBendtrans-76.4-5.4174.254.20000113.8P574S501-P574 VanDerWaalsContact O-CG 3.3Å; S501-P574 WeakPolarHBondContact O-CG 3.45Å
502V78.4Confident83.3Confident84 Ų8438.7 Ų38.751%0.50921%0.211SC..SBendtrans-118.3153.4178.6-63.50000111.6N498 S500N498-V502 PolarHBondContact ND2-O 3.12Å; S500-V502 PolarHBondContact O-N 2.97Å; S500-V502 PolarHBondContact OG-O 3.33Å
503P78.3Confident82.2Confident72 Ų7242.4 Ų42.447%0.46823%0.231SC..  trans-61.6140.2169.6-16.728.4000110.9N571 L572 P574P503-N571 WeakPolarHBondContact CB-OD1 3.38Å; P503-L572 CarbonylContact C-O 3.56Å; P503-L572 VanDerWaalsContact CA-O 3.24Å; P503-L572 WeakPolarHBondContact CA-O 3.46Å; P503-P574 HydrophobicContact CG-CG 4.47Å
504I80.3Confident80.8Confident19 Ų1946.1 Ų46.110%0.09725%0.251CS..EExtended strand (participates in β ladder)trans-117.3138.3179.163.5174.8000110.4L472 N498 S500 N571 L572L472-I504 HydrophobicContact CD1-CD1 3.7Å; L472-I504 HydrophobicContact CD2-CD1 3.45Å; L472-I504 VanDerWaalsContact CD2-CD1 3.45Å; L472-I504 HydrophobicContact CG-CD1 4.06Å; N498-I504 HydrophobicContact CB-CD1 4.15Å; N498-I504 HydrophobicContact CB-CG1 4.49Å; S500-I504 VanDerWaalsContact OG-CG2 3.29Å; S500-I504 WeakPolarHBondContact OG-CG2 3.47Å; I504-N571 CarbonylContact O-C 3.54Å; I504-N571 WeakPolarHBondContact O-CA 3.05Å; I504-N571 PolarHBondContact O-OD1 2.89Å; I504-L572 HydrophobicContact CD1-CB 4.49Å; I504-L572 HydrophobicContact CD1-CD1 4.33Å; I504-L572 HydrophobicContact CG1-CB 3.82Å; I504-L572 HydrophobicContact CG1-CD1 4.39Å; I504-L572 PolarHBondContact N-O 3.08Å; I504-L572 PolarHBondContact O-N 3.41Å
505E79.7Confident79.7Confident122 Ų12247.8 Ų47.857%0.5726%0.263SS*.EExtended strand (participates in β ladder)trans-81.5120.2165.2-174.4174.2-171.300108.5D466 S467 G570D466-E505 CarbonylContact C-O 3.55Å; D466-E505 WeakPolarHBondContact CA-O 3.28Å; S467-E505 PolarHBondContact N-O 2.86Å; S467-E505 VanDerWaalsContact N-O 3.08Å; E505-G570 WeakPolarHBondContact CA-O 3.13Å
506A80.5Confident79.3Confident2 Ų245.4 Ų45.42%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-112.6147.8-174.700000113.1L464 L465 V569 G570 L572L464-A506 HydrophobicContact CD1-CB 3.76Å; L464-A506 HydrophobicContact CD2-CB 4.41Å; L464-A506 HydrophobicContact CG-CB 4.01Å; L465-A506 CarbonylContact O-C 3.53Å; L465-A506 WeakPolarHBondContact O-CA 3.35Å; A506-V569 HydrophobicContact CB-CB 4.33Å; A506-V569 WeakPolarHBondContact O-CA 3.07Å; A506-V569 PolarHBondContact O-N 2.82Å; A506-G570 PolarHBondContact N-O 3.18Å; A506-G570 PolarHBondContact O-N 2.95Å; A506-L572 HydrophobicContact CB-CD1 3.46Å; A506-L572 VanDerWaalsContact CB-CD1 3.46Å; A506-L572 HydrophobicContact CB-CG 4.13Å
507K83.8Confident79.1Confident92 Ų9245.8 Ų45.840%0.426%0.258SS..EExtended strand (participates in β ladder)trans-131123.3177.4179.8-175178.7-175.60109L465 V509 T566 I567L465-K507 WeakPolarHBondContact CB-O 3.46Å; L465-K507 PolarHBondContact N-O 2.9Å; L465-K507 PolarHBondContact O-N 3.26Å; K507-V509 HydrophobicContact CD-CG2 4.47Å; K507-V509 HydrophobicContact CG-CG2 4.34Å; K507-T566 HydrophobicContact CD-CG2 4.15Å; K507-T566 HydrophobicContact CG-CG2 4.11Å; K507-I567 CarbonylContact C-O 3.43Å; K507-I567 WeakPolarHBondContact CA-O 3.43Å
508Y84.8Confident79.1Confident0 Ų045.2 Ų45.20%025%0.254CS..EExtended strand (participates in β ladder)trans-90.6129.2176.1-176.4-110.5000110.8L464 Q494 Y496 F510 F521 F565 T566 I567 I580 V582L464-Y508 HydrophobicContact CD1-CD2 4.49Å; Q494-Y508 PolarHBondContact OE1-OH 2.87Å; Y496-Y508 HydrophobicContact CE2-CE2 4.35Å; Y508-F510 HydrophobicContact CD1-CB 4.42Å; Y508-F510 HydrophobicContact CE1-CB 3.64Å; Y508-F510 HydrophobicContact CE1-CD2 4.42Å; Y508-F510 HydrophobicContact CE1-CG 4.27Å; Y508-F510 WeakPolarHBondContact OH-CD2 3.39Å; Y508-F521 AromaticContact CD1-CE2 3.99Å; Y508-F521 HydrophobicContact CD1-CE2 3.99Å; Y508-F521 HydrophobicContact CE1-CE2 4.34Å; Y508-F565 HydrophobicContact CD1-CD1 4.31Å; Y508-F565 HydrophobicContact CD1-CE1 4.26Å; Y508-F565 HydrophobicContact CE1-CD1 4.31Å; Y508-F565 HydrophobicContact CE1-CE1 4.35Å; Y508-T566 CarbonylContact O-C 3.59Å; Y508-T566 VanDerWaalsContact O-CA 3.28Å; Y508-T566 WeakPolarHBondContact O-CA 3.36Å; Y508-I567 PolarHBondContact N-O 2.82Å; Y508-I567 PolarHBondContact O-N 2.73Å; Y508-I580 HydrophobicContact CD1-CG2 4.34Å; Y508-I580 HydrophobicContact CD2-CD1 3.33Å; Y508-I580 HydrophobicContact CE1-CG2 4.01Å; Y508-I580 HydrophobicContact CE2-CD1 3.74Å; Y508-I580 HydrophobicContact CE2-CG2 4.19Å; Y508-I580 HydrophobicContact CG-CD1 3.78Å; Y508-V582 HydrophobicContact CE1-CG2 3.76Å
509V83.5Confident79.1Confident9 Ų945.1 Ų45.16%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-124.4124.7178.8-178.60000108.9V460 G463 L465 K507 V564 F565V460-V509 HydrophobicContact CG1-CG1 3.64Å; G463-V509 PolarHBondContact N-O 3.43Å; G463-V509 PolarHBondContact O-N 2.95Å; L465-V509 HydrophobicContact CD1-CB 4.43Å; L465-V509 HydrophobicContact CD1-CG2 3.67Å; L465-V509 HydrophobicContact CG-CG2 4.36Å; K507-V509 HydrophobicContact CD-CG2 4.47Å; K507-V509 HydrophobicContact CG-CG2 4.34Å; V509-V564 HydrophobicContact CG1-CG1 3.58Å; V509-F565 CarbonylContact C-O 3.59Å; V509-F565 WeakPolarHBondContact CA-O 3.36Å
510F81.4Confident79.4Confident3 Ų339.3 Ų39.31%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-132.5111.2-177.1-171.2-101.4000110I492 Y508 L512 F565 V582 F584 V603I492-F510 HydrophobicContact CD1-CE2 4.17Å; I492-F510 HydrophobicContact CD1-CZ 3.76Å; Y508-F510 HydrophobicContact CD1-CB 4.42Å; Y508-F510 HydrophobicContact CE1-CB 3.64Å; Y508-F510 HydrophobicContact CE1-CD2 4.42Å; Y508-F510 HydrophobicContact CE1-CG 4.27Å; Y508-F510 WeakPolarHBondContact OH-CD2 3.39Å; F510-L512 HydrophobicContact CD1-CD1 4.2Å; F510-L512 HydrophobicContact CD1-CD2 3.93Å; F510-L512 HydrophobicContact CD1-CG 3.79Å; F510-L512 HydrophobicContact CE1-CD2 3.51Å; F510-L512 HydrophobicContact CE1-CG 3.93Å; F510-F565 HydrophobicContact CB-CB 4.11Å; F510-F565 HydrophobicContact CB-CD1 4.02Å; F510-F565 PolarHBondContact N-O 2.96Å; F510-F565 WeakPolarHBondContact O-CA 3.43Å; F510-F565 VanDerWaalsContact O-CB 3.25Å; F510-F565 WeakPolarHBondContact O-CB 3.4Å; F510-F565 PolarHBondContact O-N 2.77Å; F510-V582 HydrophobicContact CD1-CG1 4.43Å; F510-V582 HydrophobicContact CE1-CG1 4.45Å; F510-F584 HydrophobicContact CE1-CD1 4.01Å; F510-F584 AromaticContact CE1-CE1 3.79Å; F510-F584 HydrophobicContact CE1-CE1 3.79Å; F510-F584 HydrophobicContact CZ-CD1 4.42Å; F510-F584 AromaticContact CZ-CE1 3.82Å; F510-F584 HydrophobicContact CZ-CE1 3.82Å; F510-V603 HydrophobicContact CE2-CB 4.36Å; F510-V603 HydrophobicContact CE2-CG1 4.12Å; F510-V603 HydrophobicContact CE2-CG2 3.97Å; F510-V603 HydrophobicContact CZ-CG1 4.47Å; F510-V603 HydrophobicContact CZ-CG2 3.96Å
511P76.8Confident79.7Confident9 Ų937.6 Ų37.66%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-72.9143.1178.429.9-32.9000110.6L457 A462 S602L457-P511 HydrophobicContact CD2-CB 3.96Å; A462-P511 HydrophobicContact CB-CG 4.13Å; P511-S602 VanDerWaalsContact CG-OG 3.29Å; P511-S602 WeakPolarHBondContact CG-OG 3.29Å
512L74.7Confident80.2Confident16 Ų1634 Ų348%0.08419%0.19CC..  trans-139.6148.6-179.7-77.4167.8000109.9F510 A516 V518 D563 F565 F584F510-L512 HydrophobicContact CD1-CD1 4.2Å; F510-L512 HydrophobicContact CD1-CD2 3.93Å; F510-L512 HydrophobicContact CD1-CG 3.79Å; F510-L512 HydrophobicContact CE1-CD2 3.51Å; F510-L512 HydrophobicContact CE1-CG 3.93Å; L512-A516 HydrophobicContact CB-CB 4.29Å; L512-A516 HydrophobicContact CD2-CB 3.93Å; L512-V518 HydrophobicContact CD1-CG2 3.23Å; L512-D563 PolarHBondContact N-O 3.35Å; L512-D563 CarbonylContact O-C 3.52Å; L512-D563 VanDerWaalsContact O-CA 3.29Å; L512-D563 WeakPolarHBondContact O-CA 3.49Å; L512-D563 WeakPolarHBondContact O-CB 3.34Å; L512-F565 HydrophobicContact CD1-CB 3.97Å; L512-F584 HydrophobicContact CD2-CB 4.39Å; L512-F584 HydrophobicContact CD2-CD1 4.17Å; L512-F584 HydrophobicContact CD2-CD2 3.93Å; L512-F584 HydrophobicContact CD2-CE1 4.38Å; L512-F584 HydrophobicContact CD2-CE2 4.16Å; L512-F584 HydrophobicContact CD2-CG 3.92Å; L512-F584 HydrophobicContact CD2-CZ 4.36Å
513D69Low80.6Confident80 Ų8030.1 Ų30.143%0.42817%0.166SC..  trans-69.3150.9169.5-59.2-37.5000110.5S515 A516D513-S515 PolarHBondContact O-N 3.16Å; D513-A516 WeakPolarHBondContact O-CB 3.25Å; D513-A516 PolarHBondContact O-N 3.39Å
514D63.9Low81Confident78 Ų7827.4 Ų27.442%0.41715%0.147SC..THydrogen-bonded Turntrans-55.2-26.5-177.7-51.726.3000113.6D563D514-D563 VanDerWaalsContact CG-OD1 3.22Å; D514-D563 VanDerWaalsContact OD1-CG 3.28Å
515S68.8Low80.9Confident38 Ų3827.2 Ų27.227%0.26615%0.146SC..THydrogen-bonded Turntrans-84.9-11.5179.370.40000113.8D513D513-S515 PolarHBondContact O-N 3.16Å
516A81.4Confident80.5Confident11 Ų1124.8 Ų24.89%0.09114%0.137CC..  trans-84.4151.6-179.200000111.8L512 D513 F584 V585L512-A516 HydrophobicContact CB-CB 4.29Å; L512-A516 HydrophobicContact CD2-CB 3.93Å; D513-A516 WeakPolarHBondContact O-CB 3.25Å; D513-A516 PolarHBondContact O-N 3.39Å; A516-F584 HydrophobicContact CB-CD2 4.27Å; A516-V585 CarbonylContact C-O 3.6Å; A516-V585 VanDerWaalsContact CA-O 3.28Å; A516-V585 WeakPolarHBondContact CA-O 3.37Å
517A82.9Confident79.9Confident8 Ų826 Ų267%0.06615%0.15CC..EExtended strand (participates in β ladder)trans-135.1122.7174.900000110.5C519 F584 V585 R978 I1016A517-C519 PolarHBondContact O-N 2.95Å; A517-F584 WeakPolarHBondContact O-CA 3.29Å; A517-F584 WeakPolarHBondContact O-CB 3.48Å; A517-V585 HydrophobicContact CB-CG2 4.25Å; A517-V585 PolarHBondContact N-O 3.24Å; A517-V585 PolarHBondContact O-N 3.07Å; A517-R978 HydrophobicContact CB-CB 4.29Å; A517-R978 HydrophobicContact CB-CG 3.77Å; A517-I1016 HydrophobicContact CB-CG2 4.47Å
518V85.2Confident79.6Confident10 Ų1024.2 Ų24.26%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-70.3125.5168.6-174.80000108.8L512 F565 V582 F584L512-V518 HydrophobicContact CD1-CG2 3.23Å; V518-F565 HydrophobicContact CB-CD2 3.82Å; V518-F565 HydrophobicContact CB-CE2 3.62Å; V518-F565 HydrophobicContact CB-CZ 4.43Å; V518-F565 HydrophobicContact CG1-CD2 4.12Å; V518-F565 HydrophobicContact CG1-CE2 3.48Å; V518-F565 VanDerWaalsContact CG1-CE2 3.48Å; V518-F565 HydrophobicContact CG1-CZ 3.83Å; V518-F565 HydrophobicContact CG2-CB 4.36Å; V518-F565 HydrophobicContact CG2-CD2 3.34Å; V518-F565 HydrophobicContact CG2-CE2 3.63Å; V518-F565 HydrophobicContact CG2-CG 3.95Å; V518-F565 HydrophobicContact CG2-CZ 4.4Å; V518-V582 HydrophobicContact CG1-CG1 4.19Å; V518-F584 HydrophobicContact CG2-CB 4.33Å
519C86.5Confident79.6Confident3 Ų329 Ų292%0.0216%0.164CC..EExtended strand (participates in β ladder)trans-12611.7-177.964.70000112.8A517 T583 K974 S1015 I1016A517-C519 PolarHBondContact O-N 2.95Å; C519-T583 PolarHBondContact N-O 3.47Å; C519-T583 PolarHBondContact SG-O 2.84Å; C519-K974 HydrophobicContact CB-CD 3.8Å; C519-K974 HydrophobicContact CB-CG 4.44Å; C519-K974 PolarHBondContact O-NZ 3.35Å; C519-K974 PolarHBondContact SG-NZ 3Å; C519-K974 VanDerWaalsContact SG-NZ 3.42Å; C519-S1015 VanDerWaalsContact CA-O 3.31Å; C519-S1015 WeakPolarHBondContact CA-O 3.4Å; C519-I1016 HydrophobicContact CB-CG1 4.37Å
520G87.2Confident79.5Confident16 Ų1628.7 Ų28.717%0.16516%0.163CC..EExtended strand (participates in β ladder)trans-172.6133.6175.600000111.2T583G520-T583 PolarHBondContact N-O 2.88Å; G520-T583 PolarHBondContact O-N 3.01Å
521F87.6Confident79.7Confident5 Ų532 Ų322%0.02218%0.183CC..EExtended strand (participates in β ladder)trans-138.9125.2171.5175.8-93.6000109Y508 A523 G532 F565 I567 I580 K581 V582Y508-F521 AromaticContact CD1-CE2 3.99Å; Y508-F521 HydrophobicContact CD1-CE2 3.99Å; Y508-F521 HydrophobicContact CE1-CE2 4.34Å; F521-A523 HydrophobicContact CE1-CB 4.14Å; F521-A523 HydrophobicContact CZ-CB 4.25Å; F521-G532 PolarHBondContact O-N 3.09Å; F521-F565 HydrophobicContact CB-CZ 4.12Å; F521-F565 AromaticContact CD2-CE1 3.8Å; F521-F565 HydrophobicContact CD2-CE1 3.8Å; F521-F565 AromaticContact CD2-CZ 3.95Å; F521-F565 HydrophobicContact CD2-CZ 3.95Å; F521-F565 HydrophobicContact CE2-CE1 4.25Å; F521-F565 HydrophobicContact CG-CZ 4.23Å; F521-I567 HydrophobicContact CB-CD1 4.12Å; F521-I567 HydrophobicContact CD1-CD1 3.52Å; F521-I567 HydrophobicContact CD2-CD1 3.57Å; F521-I567 HydrophobicContact CE1-CD1 3.72Å; F521-I567 HydrophobicContact CE1-CG2 3.91Å; F521-I567 HydrophobicContact CE2-CD1 3.75Å; F521-I567 HydrophobicContact CG-CD1 3.44Å; F521-I567 VanDerWaalsContact CG-CD1 3.44Å; F521-I567 HydrophobicContact CZ-CB 4.27Å; F521-I567 HydrophobicContact CZ-CD1 3.82Å; F521-I567 HydrophobicContact CZ-CG2 3.85Å; F521-I580 HydrophobicContact CD2-CG2 4.31Å; F521-I580 HydrophobicContact CE2-CG2 3.57Å; F521-I580 HydrophobicContact CZ-CG2 4.23Å; F521-K581 WeakPolarHBondContact CA-O 3.26Å; F521-V582 HydrophobicContact CD2-CG2 4.23Å
522E89Confident80.1Confident38 Ų3832 Ų3218%0.17818%0.184CC..EExtended strand (participates in β ladder)trans-132.7138176.7-50.8172.4-126.300108.9F524 H529 V530 V531 K581E522-F524 HydrophobicContact CB-CE2 4.06Å; E522-F524 HydrophobicContact CB-CZ 4.42Å; E522-H529 IonicContact OE2-CD2 2.73Å; E522-H529 IonicContact OE2-CE1 3.79Å; E522-H529 PolarHBondContact OE2-CE1 3.25Å; E522-H529 IonicContact OE2-NE2 3.71Å; E522-H529 PolarHBondContact OE2-NE2 3.03Å; E522-V530 CarbonylContact C-O 3.59Å; E522-V530 VanDerWaalsContact CA-O 3.3Å; E522-V530 WeakPolarHBondContact CA-O 3.44Å; E522-V531 HydrophobicContact CG-CG2 4.43Å; E522-K581 HydrophobicContact CB-CB 4.21Å; E522-K581 PolarHBondContact N-O 3.04Å; E522-K581 PolarHBondContact O-N 3.49Å; E522-K581 WeakPolarHBondContact OE1-CD 3.09Å; E522-K581 WeakPolarHBondContact OE1-CE 3.39Å; E522-K581 IonicContact OE1-NZ 3.7Å; E522-K581 PolarHBondContact OE1-NZ 3.36Å
523A86.6Confident80.8Confident2 Ų236.4 Ų36.42%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-124.3130.1174.500000109.4F521 I525 V530F521-A523 HydrophobicContact CE1-CB 4.14Å; F521-A523 HydrophobicContact CZ-CB 4.25Å; A523-I525 HydrophobicContact CB-CD1 4.48Å; A523-V530 HydrophobicContact CB-CB 4.41Å; A523-V530 PolarHBondContact N-O 3.42Å; A523-V530 PolarHBondContact O-N 3.43Å
524F86.6Confident81.8Confident15 Ų1533 Ų337%0.06619%0.187CC..EExtended strand (participates in β ladder)trans-109.9109.6175.5-53.9-98.8000108.8E522 K528 H529 V578 L579 K581 I1039 L1044E522-F524 HydrophobicContact CB-CE2 4.06Å; E522-F524 HydrophobicContact CB-CZ 4.42Å; F524-K528 CarbonylContact C-O 3.54Å; F524-K528 VanDerWaalsContact CA-O 3.25Å; F524-K528 WeakPolarHBondContact CA-O 3.41Å; F524-H529 HydrophobicContact CD1-CB 3.99Å; F524-H529 AromaticContact CD1-CD2 3.65Å; F524-H529 AromaticContact CD1-CG 3.97Å; F524-H529 HydrophobicContact CE1-CB 4.01Å; F524-H529 AromaticContact CE1-CD2 3.16Å; F524-H529 WeakPolarHBondContact CE1-CD2 3.36Å; F524-H529 AromaticContact CE1-CG 3.54Å; F524-H529 AromaticContact CE1-NE2 3.53Å; F524-H529 AromaticContact CZ-CD2 3.43Å; F524-H529 VanDerWaalsContact CZ-CD2 3.43Å; F524-H529 WeakPolarHBondContact CZ-CD2 3.44Å; F524-H529 AromaticContact CZ-NE2 3.4Å; F524-H529 WeakPolarHBondContact CZ-NE2 3.41Å; F524-V578 WeakPolarHBondContact O-CA 3.34Å; F524-L579 HydrophobicContact CB-CB 4.22Å; F524-L579 HydrophobicContact CD2-CB 4.3Å; F524-L579 HydrophobicContact CD2-CD2 4.11Å; F524-L579 HydrophobicContact CD2-CG 4.44Å; F524-L579 PolarHBondContact N-O 3.06Å; F524-L579 PolarHBondContact O-N 3.14Å; F524-K581 HydrophobicContact CE2-CB 4.36Å; F524-I1039 HydrophobicContact CB-CD1 3.64Å; F524-L1044 HydrophobicContact CD1-CD1 4.01Å; F524-L1044 HydrophobicContact CD2-CD1 4.32Å; F524-L1044 HydrophobicContact CE1-CD1 3.83Å; F524-L1044 HydrophobicContact CE1-CD2 4.22Å; F524-L1044 HydrophobicContact CE2-CD1 4.19Å; F524-L1044 HydrophobicContact CG-CD1 4.25Å; F524-L1044 HydrophobicContact CZ-CD1 3.94Å; F524-L1044 HydrophobicContact CZ-CD2 4.25Å
525I79.3Confident83Confident15 Ų1531.5 Ų31.58%0.07718%0.177CC..EExtended strand (participates in β ladder)trans-122.6116.2-173.8-55.9168.2000107.9A523 G527 K528 V569 L572 V578A523-I525 HydrophobicContact CB-CD1 4.48Å; I525-G527 VanDerWaalsContact C-N 3.28Å; I525-G527 PolarHBondContact O-N 2.74Å; I525-G527 VanDerWaalsContact O-N 3.14Å; I525-K528 PolarHBondContact N-O 3.45Å; I525-K528 WeakPolarHBondContact O-CB 3.4Å; I525-K528 PolarHBondContact O-N 3.32Å; I525-V569 HydrophobicContact CD1-CG1 4.01Å; I525-L572 HydrophobicContact CD1-CD2 4.22Å; I525-L572 HydrophobicContact CG1-CD2 4.36Å; I525-L572 HydrophobicContact CG2-CD2 3.91Å; I525-V578 HydrophobicContact CG1-CB 4.29Å; I525-V578 HydrophobicContact CG1-CG2 3.71Å
526N71.4Confident84.1Confident70 Ų7034.5 Ų34.537%0.37419%0.186SC..THydrogen-bonded Turntrans48.540.9175.2-67.8-12.8000115.3A576N526-A576 WeakPolarHBondContact OD1-CA 3.19Å; N526-A576 VanDerWaalsContact OD1-CB 3.28Å; N526-A576 WeakPolarHBondContact OD1-CB 3.18Å
527G68.3Low84.5Confident29 Ų2937.1 Ų37.130%0.29920%0.196SC..THydrogen-bonded Turntrans94.1-14.8-179.400000115I525 G1037 I1039I525-G527 VanDerWaalsContact C-N 3.28Å; I525-G527 PolarHBondContact O-N 2.74Å; I525-G527 VanDerWaalsContact O-N 3.14Å; G527-G1037 WeakPolarHBondContact CA-O 3.41Å; G527-I1039 VanDerWaalsContact N-CD1 3.28Å
528K76.1Confident84.7Confident53 Ų5340 Ų4023%0.2322%0.219CC..EExtended strand (participates in β ladder)trans-93.1141.8177.7-60.5-172.2-175-1780111.9F524 I525 E1027 E1028 D1035F524-K528 CarbonylContact C-O 3.54Å; F524-K528 VanDerWaalsContact CA-O 3.25Å; F524-K528 WeakPolarHBondContact CA-O 3.41Å; I525-K528 PolarHBondContact N-O 3.45Å; I525-K528 WeakPolarHBondContact O-CB 3.4Å; I525-K528 PolarHBondContact O-N 3.32Å; K528-E1027 HydrophobicContact CD-CG 4.07Å; K528-E1027 VanDerWaalsContact CD-OE1 3.31Å; K528-E1027 WeakPolarHBondContact CD-OE1 3.41Å; K528-E1027 IonicContact NZ-OE1 3.66Å; K528-E1027 PolarHBondContact NZ-OE1 3.5Å; K528-E1028 PolarHBondContact NZ-O 3.03Å; K528-D1035 WeakPolarHBondContact CE-OD2 3.35Å; K528-D1035 WeakPolarHBondContact CG-OD2 3.37Å
529H85.1Confident84.9Confident100 Ų10041.4 Ų41.446%0.46323%0.232SC..EExtended strand (participates in β ladder)trans-107119.9176.9179.6-155.4000109.6E522 F524 V531E522-H529 IonicContact OE2-CD2 2.73Å; E522-H529 IonicContact OE2-CE1 3.79Å; E522-H529 PolarHBondContact OE2-CE1 3.25Å; E522-H529 IonicContact OE2-NE2 3.71Å; E522-H529 PolarHBondContact OE2-NE2 3.03Å; F524-H529 HydrophobicContact CD1-CB 3.99Å; F524-H529 AromaticContact CD1-CD2 3.65Å; F524-H529 AromaticContact CD1-CG 3.97Å; F524-H529 HydrophobicContact CE1-CB 4.01Å; F524-H529 AromaticContact CE1-CD2 3.16Å; F524-H529 WeakPolarHBondContact CE1-CD2 3.36Å; F524-H529 AromaticContact CE1-CG 3.54Å; F524-H529 AromaticContact CE1-NE2 3.53Å; F524-H529 AromaticContact CZ-CD2 3.43Å; F524-H529 VanDerWaalsContact CZ-CD2 3.43Å; F524-H529 WeakPolarHBondContact CZ-CD2 3.44Å; F524-H529 AromaticContact CZ-NE2 3.4Å; F524-H529 WeakPolarHBondContact CZ-NE2 3.41Å; H529-V531 VanDerWaalsContact CE1-CG2 3.49Å; H529-V531 WeakPolarHBondContact CE1-CG2 3.37Å; H529-V531 WeakPolarHBondContact NE2-CG2 3.41Å
530V82.4Confident84.9Confident4 Ų441.2 Ų41.22%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-111.7124178.5176.10000107.9E522 A523 Y555 A1025 E1027E522-V530 CarbonylContact C-O 3.59Å; E522-V530 VanDerWaalsContact CA-O 3.3Å; E522-V530 WeakPolarHBondContact CA-O 3.44Å; A523-V530 HydrophobicContact CB-CB 4.41Å; A523-V530 PolarHBondContact N-O 3.42Å; A523-V530 PolarHBondContact O-N 3.43Å; V530-Y555 HydrophobicContact CB-CE2 4.46Å; V530-Y555 HydrophobicContact CG1-CD2 3.69Å; V530-Y555 HydrophobicContact CG1-CE2 3.69Å; V530-Y555 HydrophobicContact CG2-CE2 4.15Å; V530-A1025 HydrophobicContact CG1-CB 3.52Å; V530-E1027 HydrophobicContact CG2-CB 4.11Å; V530-E1027 HydrophobicContact CG2-CG 4.21Å
531V85.2Confident84.9Confident73 Ų7345.7 Ų45.744%0.44224%0.243SC..EExtended strand (participates in β ladder)trans-113.7131.2179.5-1770000109.4E522 H529 A1025E522-V531 HydrophobicContact CG-CG2 4.43Å; H529-V531 VanDerWaalsContact CE1-CG2 3.49Å; H529-V531 WeakPolarHBondContact CE1-CG2 3.37Å; H529-V531 WeakPolarHBondContact NE2-CG2 3.41Å; V531-A1025 WeakPolarHBondContact O-CB 3.49Å
532G84.5Confident84.9Confident8 Ų851.9 Ų51.98%0.08227%0.27CS..  trans-76.9124.2172.600000112.1F521F521-G532 PolarHBondContact O-N 3.09Å
533E88.9Confident84.8Confident108 Ų10852.7 Ų52.751%0.50527%0.273SS..EExtended strand (participates in β ladder)trans-106.5135.4172.8-65.6-174.3169.200110.6K535 F1023 V1024E533-K535 WeakPolarHBondContact OE2-CE 3.39Å; E533-K535 IonicContact OE2-NZ 3.9Å; E533-K535 PolarHBondContact OE2-NZ 3.49Å; E533-F1023 CarbonylContact O-C 3.6Å; E533-F1023 WeakPolarHBondContact O-CA 3.46Å; E533-V1024 PolarHBondContact N-O 3.24Å; E533-V1024 PolarHBondContact O-N 3.18Å
534V90.1Very high84.7Confident10 Ų1056 Ų566%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-80.5123.6171.6-179.60000109.3S1011 T1021 F1023V534-S1011 WeakPolarHBondContact CG1-OG 3.25Å; V534-T1021 HydrophobicContact CG1-CG2 4.16Å; V534-F1023 HydrophobicContact CG2-CD1 3.58Å; V534-F1023 HydrophobicContact CG2-CD2 4.08Å; V534-F1023 HydrophobicContact CG2-CE1 3.27Å; V534-F1023 HydrophobicContact CG2-CE2 3.78Å; V534-F1023 HydrophobicContact CG2-CG 3.97Å; V534-F1023 HydrophobicContact CG2-CZ 3.37Å
535K90.5Very high84.6Confident46 Ų4662.5 Ų62.520%0.231%0.314CS..EExtended strand (participates in β ladder)trans-130.3162.9175.2-63.4-170-176.4178.30110.4E533 K537 A540 E543 T1021 S1022 V1024E533-K535 WeakPolarHBondContact OE2-CE 3.39Å; E533-K535 IonicContact OE2-NZ 3.9Å; E533-K535 PolarHBondContact OE2-NZ 3.49Å; K535-K537 PolarHBondContact O-N 3.49Å; K535-A540 HydrophobicContact CB-CB 4.16Å; K535-E543 WeakPolarHBondContact CD-OE1 3.38Å; K535-E543 IonicContact NZ-OE1 3.4Å; K535-E543 PolarHBondContact NZ-OE1 3.06Å; K535-E543 IonicContact NZ-OE2 3.82Å; K535-E543 PolarHBondContact NZ-OE2 2.71Å; K535-T1021 CarbonylContact O-C 3.5Å; K535-T1021 VanDerWaalsContact O-CA 3.26Å; K535-T1021 WeakPolarHBondContact O-CA 3.39Å; K535-T1021 WeakPolarHBondContact O-CB 3.36Å; K535-S1022 PolarHBondContact N-O 3.14Å; K535-S1022 PolarHBondContact O-N 3.38Å; K535-V1024 HydrophobicContact CB-CG1 4.24Å; K535-V1024 HydrophobicContact CD-CG1 3.73Å; K535-V1024 HydrophobicContact CG-CG1 3.94Å
536E91.8Very high84.9Confident101 Ų10166.3 Ų66.347%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-57.9138.5171.8-167.2-173.7164.900110A538 A539 A540E536-A538 VanDerWaalsContact C-N 3.28Å; E536-A538 PolarHBondContact O-N 3.21Å; E536-A538 VanDerWaalsContact O-N 3.14Å; E536-A539 HydrophobicContact CB-CB 4.44Å; E536-A539 WeakPolarHBondContact O-CA 3.04Å; E536-A539 WeakPolarHBondContact O-CB 3.46Å; E536-A539 PolarHBondContact O-N 3.24Å; E536-A540 PolarHBondContact O-N 3.33Å
537K88.5Confident85.4Confident65 Ų6563.2 Ų63.228%0.28332%0.316SS..Hα-helixtrans-53.2-41-169.3-168.9163.3-161.6167.90113.7K535 R541 F1020 S1022K535-K537 PolarHBondContact O-N 3.49Å; K537-R541 WeakPolarHBondContact O-CB 3.25Å; K537-R541 WeakPolarHBondContact O-CD 3.4Å; K537-R541 VanDerWaalsContact O-CG 3.24Å; K537-R541 WeakPolarHBondContact O-CG 3.42Å; K537-R541 PolarHBondContact O-N 2.86Å; K537-R541 VanDerWaalsContact O-N 3.11Å; K537-F1020 WeakPolarHBondContact CB-O 3.29Å; K537-F1020 PolarHBondContact N-O 3.26Å; K537-S1022 WeakPolarHBondContact CG-OG 3.33Å
538A87.4Confident85.8Confident68 Ų6865.9 Ų65.956%0.56232%0.323SS*.Hα-helixtrans-67.5-42.3177.300000112.4E536 K542E536-A538 VanDerWaalsContact C-N 3.28Å; E536-A538 PolarHBondContact O-N 3.21Å; E536-A538 VanDerWaalsContact O-N 3.14Å; A538-K542 WeakPolarHBondContact O-CB 3.47Å; A538-K542 PolarHBondContact O-N 2.91Å; A538-K542 VanDerWaalsContact O-N 3.09Å
539A89.5Confident85.9Confident40 Ų4067.6 Ų67.633%0.33135%0.347SS..Hα-helixtrans-67.4-47.6177.700000111.6E536 R541 K542 E543E536-A539 HydrophobicContact CB-CB 4.44Å; E536-A539 WeakPolarHBondContact O-CA 3.04Å; E536-A539 WeakPolarHBondContact O-CB 3.46Å; E536-A539 PolarHBondContact O-N 3.24Å; A539-R541 VanDerWaalsContact C-N 3.34Å; A539-R541 PolarHBondContact O-N 3.03Å; A539-K542 WeakPolarHBondContact O-CB 3.4Å; A539-K542 PolarHBondContact O-N 2.67Å; A539-K542 VanDerWaalsContact O-N 3.08Å; A539-E543 PolarHBondContact O-N 2.71Å
540A86.8Confident85.6Confident0 Ų070 Ų700%036%0.356CS..Hα-helixtrans-53.7-48.6175.700000111.8K535 E536 K542 E543 Y544 L556 V1024K535-A540 HydrophobicContact CB-CB 4.16Å; E536-A540 PolarHBondContact O-N 3.33Å; A540-K542 VanDerWaalsContact C-N 3.33Å; A540-K542 PolarHBondContact O-N 3.19Å; A540-E543 PolarHBondContact O-N 2.98Å; A540-Y544 VanDerWaalsContact O-CB 3.3Å; A540-Y544 WeakPolarHBondContact O-CB 3.4Å; A540-Y544 PolarHBondContact O-N 3.09Å; A540-L556 HydrophobicContact CB-CD1 3.9Å; A540-V1024 HydrophobicContact CB-CB 4.14Å; A540-V1024 HydrophobicContact CB-CG1 4.18Å
541R86.3Confident85.1Confident110 Ų11072.1 Ų72.142%0.41538%0.378SS..Hα-helixtrans-63.9-36.1177.4-74.8171.8174.8-168.7-3.8112.9K537 A539 K545 L556 D558K537-R541 WeakPolarHBondContact O-CB 3.25Å; K537-R541 WeakPolarHBondContact O-CD 3.4Å; K537-R541 VanDerWaalsContact O-CG 3.24Å; K537-R541 WeakPolarHBondContact O-CG 3.42Å; K537-R541 PolarHBondContact O-N 2.86Å; K537-R541 VanDerWaalsContact O-N 3.11Å; A539-R541 VanDerWaalsContact C-N 3.34Å; A539-R541 PolarHBondContact O-N 3.03Å; R541-K545 VanDerWaalsContact O-CG 3.32Å; R541-K545 WeakPolarHBondContact O-CG 3.03Å; R541-K545 PolarHBondContact O-N 3.28Å; R541-K545 VanDerWaalsContact O-N 3.17Å; R541-L556 HydrophobicContact CG-CD2 3.87Å; R541-D558 IonicContact CZ-OD2 3.72Å; R541-D558 IonicContact NE-OD2 2.77Å; R541-D558 PolarHBondContact NE-OD2 2.84Å; R541-D558 IonicContact NH2-OD2 3.28Å; R541-D558 PolarHBondContact NH2-OD2 3.44Å
542K88.4Confident84.6Confident135 Ų13570.8 Ų70.859%0.58737%0.367SS*.Hα-helixtrans-68.4-48.9177.8-177.6-178.6177.1-176.40111A538 A539 A540 K545 Q546A538-K542 WeakPolarHBondContact O-CB 3.47Å; A538-K542 PolarHBondContact O-N 2.91Å; A538-K542 VanDerWaalsContact O-N 3.09Å; A539-K542 WeakPolarHBondContact O-CB 3.4Å; A539-K542 PolarHBondContact O-N 2.67Å; A539-K542 VanDerWaalsContact O-N 3.08Å; A540-K542 VanDerWaalsContact C-N 3.33Å; A540-K542 PolarHBondContact O-N 3.19Å; K542-K545 PolarHBondContact O-N 3.08Å; K542-Q546 WeakPolarHBondContact O-CG 3.35Å; K542-Q546 PolarHBondContact O-N 3.18Å
543E87.4Confident84Confident54 Ų5470.8 Ų70.825%0.25237%0.366SS..Hα-helixtrans-61.8-44.8178.2-72.6-175.4-16400111.7K535 A539 A540 K545 Q546 A547 I1026K535-E543 WeakPolarHBondContact CD-OE1 3.38Å; K535-E543 IonicContact NZ-OE1 3.4Å; K535-E543 PolarHBondContact NZ-OE1 3.06Å; K535-E543 IonicContact NZ-OE2 3.82Å; K535-E543 PolarHBondContact NZ-OE2 2.71Å; A539-E543 PolarHBondContact O-N 2.71Å; A540-E543 PolarHBondContact O-N 2.98Å; E543-K545 PolarHBondContact O-N 3.23Å; E543-Q546 PolarHBondContact O-N 3.31Å; E543-Q546 VanDerWaalsContact O-N 3.15Å; E543-A547 WeakPolarHBondContact O-CB 3.44Å; E543-A547 PolarHBondContact O-N 2.75Å; E543-I1026 HydrophobicContact CB-CD1 4.17Å
544Y84.1Confident83.2Confident73 Ų7366 Ų6629%0.28635%0.345SS..Hα-helixtrans-52.5-52.8173.5173-96.6000111.6A540 Q546 A547 I548 A554 L556A540-Y544 VanDerWaalsContact O-CB 3.3Å; A540-Y544 WeakPolarHBondContact O-CB 3.4Å; A540-Y544 PolarHBondContact O-N 3.09Å; Y544-Q546 VanDerWaalsContact C-N 3.31Å; Y544-Q546 PolarHBondContact O-N 3.3Å; Y544-A547 PolarHBondContact O-N 2.8Å; Y544-I548 HydrophobicContact CE1-CG1 4.2Å; Y544-I548 HydrophobicContact CE2-CD1 4.39Å; Y544-I548 HydrophobicContact CE2-CG1 4.23Å; Y544-I548 WeakPolarHBondContact O-CG1 3.22Å; Y544-I548 PolarHBondContact O-N 3.05Å; Y544-A554 HydrophobicContact CD2-CB 3.56Å; Y544-A554 HydrophobicContact CE2-CB 3.9Å; Y544-A554 WeakPolarHBondContact CE2-O 3.49Å; Y544-A554 HydrophobicContact CG-CB 4.39Å; Y544-L556 HydrophobicContact CD1-CB 4.48Å; Y544-L556 HydrophobicContact CD1-CD2 4.31Å; Y544-L556 HydrophobicContact CD2-CB 3.54Å; Y544-L556 HydrophobicContact CE2-CB 3.94Å; Y544-L556 HydrophobicContact CG-CB 3.84Å; Y544-L556 HydrophobicContact CG-CD2 4.26Å
545K83.9Confident82.6Confident151 Ų15166 Ų6666%0.65734%0.344SS*.Hα-helixtrans-61.4-38.5178.9-73.4177.7-178.7-176.60112.6R541 K542 E543 A549R541-K545 VanDerWaalsContact O-CG 3.32Å; R541-K545 WeakPolarHBondContact O-CG 3.03Å; R541-K545 PolarHBondContact O-N 3.28Å; R541-K545 VanDerWaalsContact O-N 3.17Å; K542-K545 PolarHBondContact O-N 3.08Å; E543-K545 PolarHBondContact O-N 3.23Å; K545-A549 WeakPolarHBondContact O-CB 3.37Å; K545-A549 PolarHBondContact O-N 3.19Å
546Q85.9Confident81.9Confident95 Ų9565.4 Ų65.444%0.44434%0.343SS..Hα-helixtrans-68.1-41.4178.4-74178.6-9.400112.4K542 E543 Y544 A549 K550K542-Q546 WeakPolarHBondContact O-CG 3.35Å; K542-Q546 PolarHBondContact O-N 3.18Å; E543-Q546 PolarHBondContact O-N 3.31Å; E543-Q546 VanDerWaalsContact O-N 3.15Å; Y544-Q546 VanDerWaalsContact C-N 3.31Å; Y544-Q546 PolarHBondContact O-N 3.3Å; Q546-A549 PolarHBondContact O-N 2.87Å; Q546-K550 WeakPolarHBondContact O-CG 3.2Å; Q546-K550 PolarHBondContact O-N 2.92Å; Q546-K550 VanDerWaalsContact O-N 3.09Å
547A82.1Confident81Confident5 Ų561.1 Ų61.14%0.04132%0.323CS..Hα-helixtrans-64.1-45.3177.100000111.3E543 Y544 A549 K550 G551 H552 A554 I1026E543-A547 WeakPolarHBondContact O-CB 3.44Å; E543-A547 PolarHBondContact O-N 2.75Å; Y544-A547 PolarHBondContact O-N 2.8Å; A547-A549 VanDerWaalsContact C-N 3.34Å; A547-A549 PolarHBondContact O-N 3.05Å; A547-K550 PolarHBondContact O-N 3Å; A547-K550 VanDerWaalsContact O-N 3.14Å; A547-G551 PolarHBondContact O-N 2.8Å; A547-H552 HydrophobicContact CB-CB 4.23Å; A547-H552 WeakPolarHBondContact O-CB 3.01Å; A547-H552 PolarHBondContact O-N 2.8Å; A547-A554 HydrophobicContact CB-CB 3.71Å; A547-I1026 HydrophobicContact CB-CD1 4.24Å; A547-I1026 HydrophobicContact CB-CG1 4.24Å; A547-I1026 HydrophobicContact CB-CG2 3.86Å
548I77.1Confident79.8Confident85 Ų8560.6 Ų60.644%0.43632%0.324SS..Hα-helixtrans-58.8-44.9173.6-64.4-62.4000111.3Y544 K550 G551 A554Y544-I548 HydrophobicContact CE1-CG1 4.2Å; Y544-I548 HydrophobicContact CE2-CD1 4.39Å; Y544-I548 HydrophobicContact CE2-CG1 4.23Å; Y544-I548 WeakPolarHBondContact O-CG1 3.22Å; Y544-I548 PolarHBondContact O-N 3.05Å; I548-K550 PolarHBondContact O-N 3.02Å; I548-G551 PolarHBondContact O-N 2.89Å; I548-A554 HydrophobicContact CD1-CB 3.82Å; I548-A554 HydrophobicContact CG1-CB 3.98Å
549A77.9Confident78.5Confident89 Ų8960.5 Ų60.574%0.73631%0.311SS*.Hα-helixtrans-63.4-27.4178.700000113.5K545 Q546 A547 G551K545-A549 WeakPolarHBondContact O-CB 3.37Å; K545-A549 PolarHBondContact O-N 3.19Å; Q546-A549 PolarHBondContact O-N 2.87Å; A547-A549 VanDerWaalsContact C-N 3.34Å; A547-A549 PolarHBondContact O-N 3.05Å; A549-G551 VanDerWaalsContact C-N 3.34Å
550K79.8Confident76.6Confident151 Ų15162.5 Ų62.566%0.65734%0.336SS*.THydrogen-bonded Turntrans-85.7-2.4175.1-69.8175179.9-178.40113.5Q546 A547 I548 H552Q546-K550 WeakPolarHBondContact O-CG 3.2Å; Q546-K550 PolarHBondContact O-N 2.92Å; Q546-K550 VanDerWaalsContact O-N 3.09Å; A547-K550 PolarHBondContact O-N 3Å; A547-K550 VanDerWaalsContact O-N 3.14Å; I548-K550 PolarHBondContact O-N 3.02Å; K550-H552 VanDerWaalsContact C-N 3.32Å
551G70.9Confident75Confident47 Ų4764.9 Ų64.949%0.48536%0.355SS..THydrogen-bonded Turntrans77.713.7-177.300000114.7A547 I548 A549A547-G551 PolarHBondContact O-N 2.8Å; I548-G551 PolarHBondContact O-N 2.89Å; A549-G551 VanDerWaalsContact C-N 3.34Å
552H75.8Confident73.5Confident46 Ų4663.6 Ų63.621%0.21336%0.361CS..  trans-78.7157172.1-63.3-33000110.9A547 K550 I1026 E1027 R1029A547-H552 HydrophobicContact CB-CB 4.23Å; A547-H552 WeakPolarHBondContact O-CB 3.01Å; A547-H552 PolarHBondContact O-N 2.8Å; K550-H552 VanDerWaalsContact C-N 3.32Å; H552-I1026 HydrophobicContact CB-CG2 4.48Å; H552-E1027 WeakPolarHBondContact CB-O 3.48Å; H552-R1029 PolarHBondContact ND1-N 3.18Å
553G71Confident72.4Confident7 Ų758.5 Ų58.57%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-71.1136166.500000108.8E1027G553-E1027 PolarHBondContact N-O 2.78Å; G553-E1027 PolarHBondContact O-N 3.36Å
554A72.2Confident71.5Confident7 Ų757.8 Ų57.86%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-140.8142.3176.300000109.6Y544 A547 I548 A1025Y544-A554 HydrophobicContact CD2-CB 3.56Å; Y544-A554 HydrophobicContact CE2-CB 3.9Å; Y544-A554 WeakPolarHBondContact CE2-O 3.49Å; Y544-A554 HydrophobicContact CG-CB 4.39Å; A547-A554 HydrophobicContact CB-CB 3.71Å; I548-A554 HydrophobicContact CD1-CB 3.82Å; I548-A554 HydrophobicContact CG1-CB 3.98Å; A554-A1025 CarbonylContact C-O 3.59Å; A554-A1025 WeakPolarHBondContact CA-O 3.37Å
555Y76.7Confident71.1Confident11 Ų1154.6 Ų54.64%0.04333%0.327CS..EExtended strand (participates in β ladder)trans-131.7123.7-173.4-49-59.8000107.2V530 S568 V569 V1024 A1025 E1027V530-Y555 HydrophobicContact CB-CE2 4.46Å; V530-Y555 HydrophobicContact CG1-CD2 3.69Å; V530-Y555 HydrophobicContact CG1-CE2 3.69Å; V530-Y555 HydrophobicContact CG2-CE2 4.15Å; Y555-S568 WeakPolarHBondContact CB-O 3.39Å; Y555-S568 WeakPolarHBondContact CD1-O 3.32Å; Y555-V569 WeakPolarHBondContact CE1-O 3.27Å; Y555-V569 PolarHBondContact OH-O 3.11Å; Y555-V569 VanDerWaalsContact OH-O 3.1Å; Y555-V1024 CarbonylContact O-C 3.5Å; Y555-V1024 VanDerWaalsContact O-CA 3.29Å; Y555-V1024 WeakPolarHBondContact O-CA 3.43Å; Y555-A1025 HydrophobicContact CD2-CB 3.94Å; Y555-A1025 WeakPolarHBondContact CD2-O 3.36Å; Y555-A1025 PolarHBondContact N-O 3.02Å; Y555-A1025 PolarHBondContact O-N 3.39Å; Y555-E1027 HydrophobicContact CE2-CB 4.15Å
556L75.6Confident70.7Confident34 Ų3449.3 Ų49.318%0.17831%0.308CS..EExtended strand (participates in β ladder)trans-125.5137.9179.8-179.471.9000108.5A540 R541 Y544 V1024A540-L556 HydrophobicContact CB-CD1 3.9Å; R541-L556 HydrophobicContact CG-CD2 3.87Å; Y544-L556 HydrophobicContact CD1-CB 4.48Å; Y544-L556 HydrophobicContact CD1-CD2 4.31Å; Y544-L556 HydrophobicContact CD2-CB 3.54Å; Y544-L556 HydrophobicContact CE2-CB 3.94Å; Y544-L556 HydrophobicContact CG-CB 3.84Å; Y544-L556 HydrophobicContact CG-CD2 4.26Å; L556-V1024 HydrophobicContact CD1-CB 4.42Å
557M72.9Confident70.3Confident10 Ų1045.1 Ų45.15%0.04929%0.289CS..EExtended strand (participates in β ladder)trans-128.4123.5174.3171.7-173.5178.400110.1F565 T566 I567 L1017 S1022 F1023M557-F565 HydrophobicContact CE-CB 4.4Å; M557-F565 HydrophobicContact CE-CD2 3.06Å; M557-F565 HydrophobicContact CE-CE2 3.38Å; M557-F565 HydrophobicContact CE-CG 3.85Å; M557-F565 HydrophobicContact CE-CZ 4.38Å; M557-F565 HydrophobicContact SD-CD2 3.53Å; M557-F565 VanDerWaalsContact SD-CD2 3.53Å; M557-F565 HydrophobicContact SD-CE1 4.46Å; M557-F565 HydrophobicContact SD-CE2 3.14Å; M557-F565 WeakPolarHBondContact SD-CE2 3.4Å; M557-F565 HydrophobicContact SD-CG 4.32Å; M557-F565 HydrophobicContact SD-CZ 3.71Å; M557-T566 VanDerWaalsContact CG-O 3.29Å; M557-T566 WeakPolarHBondContact CG-O 3.46Å; M557-I567 HydrophobicContact CB-CG1 4.05Å; M557-I567 HydrophobicContact CG-CG1 4.27Å; M557-I567 HydrophobicContact SD-CD1 4.07Å; M557-I567 HydrophobicContact SD-CG1 3.84Å; M557-L1017 HydrophobicContact CE-CD1 3.4Å; M557-L1017 VanDerWaalsContact CE-CD1 3.4Å; M557-L1017 HydrophobicContact SD-CD1 3.98Å; M557-S1022 WeakPolarHBondContact O-CA 3.48Å; M557-S1022 VanDerWaalsContact O-CB 3.23Å; M557-S1022 WeakPolarHBondContact O-CB 3.31Å; M557-F1023 HydrophobicContact CB-CB 3.95Å; M557-F1023 PolarHBondContact N-O 3.32Å; M557-F1023 PolarHBondContact O-N 3.1Å; M557-F1023 HydrophobicContact SD-CB 4.33Å; M557-F1023 HydrophobicContact SD-CD2 4.06Å
558D64.9Low69.9Low55 Ų5547 Ų4729%0.29430%0.301SS..  trans-110.1139.9169.1-77.3-21.9000108.7R541 G560 S1022R541-D558 IonicContact CZ-OD2 3.72Å; R541-D558 IonicContact NE-OD2 2.77Å; R541-D558 PolarHBondContact NE-OD2 2.84Å; R541-D558 IonicContact NH2-OD2 3.28Å; R541-D558 PolarHBondContact NH2-OD2 3.44Å; D558-G560 PolarHBondContact O-N 3.29Å; D558-G560 VanDerWaalsContact O-N 3.09Å; D558-S1022 WeakPolarHBondContact OD1-CB 3.25Å; D558-S1022 PolarHBondContact OD1-OG 3.4Å
559Q58.7Low69.6Low66 Ų6643 Ų4331%0.30828%0.281SS..  trans-69.6104172-166.317517.600109
560G49.8Very low69.1Low82 Ų8239.5 Ų39.585%0.84525%0.253SS*.SBendtrans-94.7-39.317800000113.4D558D558-G560 PolarHBondContact O-N 3.29Å; D558-G560 VanDerWaalsContact O-N 3.09Å
561A54.5Low68.8Low49 Ų4936.3 Ų36.341%0.40524%0.243SC..SBendtrans-137.5146.8171.900000108.5D563A561-D563 PolarHBondContact O-N 2.82Å
562P53.7Low69.1Low83 Ų8334.2 Ų34.254%0.53922%0.221SC..THydrogen-bonded Turntrans-62.6-27.4-176.919.4-26.8000113.5
563D64.8Low69.2Low29 Ų2934.4 Ų34.416%0.15523%0.227CC..THydrogen-bonded Turntrans-106.63.2-162.8-38.7-31.3000113L457 L512 D514 A561L457-D563 HydrophobicContact CD1-CB 4.42Å; L457-D563 HydrophobicContact CD2-CB 4.02Å; L457-D563 WeakPolarHBondContact CD2-O 3.45Å; L512-D563 PolarHBondContact N-O 3.35Å; L512-D563 CarbonylContact O-C 3.52Å; L512-D563 VanDerWaalsContact O-CA 3.29Å; L512-D563 WeakPolarHBondContact O-CA 3.49Å; L512-D563 WeakPolarHBondContact O-CB 3.34Å; D514-D563 VanDerWaalsContact CG-OD1 3.22Å; D514-D563 VanDerWaalsContact OD1-CG 3.28Å; A561-D563 PolarHBondContact O-N 2.82Å
564V70.3Confident69.8Low39 Ų3937 Ų3724%0.23624%0.242CC..EExtended strand (participates in β ladder)trans-134114.7179.6-174.80000110.9L457 V460 V509L457-V564 HydrophobicContact CD2-CG2 3.8Å; V460-V564 HydrophobicContact CG1-CG1 4.38Å; V460-V564 HydrophobicContact CG2-CG2 4.17Å; V509-V564 HydrophobicContact CG1-CG1 3.58Å
565F74.8Confident70.2Confident5 Ų539.2 Ų39.22%0.02227%0.265CS..EExtended strand (participates in β ladder)trans-83128.4171.6-178.7-93.3000109.9Y508 V509 F510 L512 V518 F521 M557 I567Y508-F565 HydrophobicContact CD1-CD1 4.31Å; Y508-F565 HydrophobicContact CD1-CE1 4.26Å; Y508-F565 HydrophobicContact CE1-CD1 4.31Å; Y508-F565 HydrophobicContact CE1-CE1 4.35Å; V509-F565 CarbonylContact C-O 3.59Å; V509-F565 WeakPolarHBondContact CA-O 3.36Å; F510-F565 HydrophobicContact CB-CB 4.11Å; F510-F565 HydrophobicContact CB-CD1 4.02Å; F510-F565 PolarHBondContact N-O 2.96Å; F510-F565 WeakPolarHBondContact O-CA 3.43Å; F510-F565 VanDerWaalsContact O-CB 3.25Å; F510-F565 WeakPolarHBondContact O-CB 3.4Å; F510-F565 PolarHBondContact O-N 2.77Å; L512-F565 HydrophobicContact CD1-CB 3.97Å; V518-F565 HydrophobicContact CB-CD2 3.82Å; V518-F565 HydrophobicContact CB-CE2 3.62Å; V518-F565 HydrophobicContact CB-CZ 4.43Å; V518-F565 HydrophobicContact CG1-CD2 4.12Å; V518-F565 HydrophobicContact CG1-CE2 3.48Å; V518-F565 VanDerWaalsContact CG1-CE2 3.48Å; V518-F565 HydrophobicContact CG1-CZ 3.83Å; V518-F565 HydrophobicContact CG2-CB 4.36Å; V518-F565 HydrophobicContact CG2-CD2 3.34Å; V518-F565 HydrophobicContact CG2-CE2 3.63Å; V518-F565 HydrophobicContact CG2-CG 3.95Å; V518-F565 HydrophobicContact CG2-CZ 4.4Å; F521-F565 HydrophobicContact CB-CZ 4.12Å; F521-F565 AromaticContact CD2-CE1 3.8Å; F521-F565 HydrophobicContact CD2-CE1 3.8Å; F521-F565 AromaticContact CD2-CZ 3.95Å; F521-F565 HydrophobicContact CD2-CZ 3.95Å; F521-F565 HydrophobicContact CE2-CE1 4.25Å; F521-F565 HydrophobicContact CG-CZ 4.23Å; M557-F565 HydrophobicContact CE-CB 4.4Å; M557-F565 HydrophobicContact CE-CD2 3.06Å; M557-F565 HydrophobicContact CE-CE2 3.38Å; M557-F565 HydrophobicContact CE-CG 3.85Å; M557-F565 HydrophobicContact CE-CZ 4.38Å; M557-F565 HydrophobicContact SD-CD2 3.53Å; M557-F565 VanDerWaalsContact SD-CD2 3.53Å; M557-F565 HydrophobicContact SD-CE1 4.46Å; M557-F565 HydrophobicContact SD-CE2 3.14Å; M557-F565 WeakPolarHBondContact SD-CE2 3.4Å; M557-F565 HydrophobicContact SD-CG 4.32Å; M557-F565 HydrophobicContact SD-CZ 3.71Å; F565-I567 HydrophobicContact CD1-CD1 4.48Å; F565-I567 HydrophobicContact CD1-CG1 4.3Å; F565-I567 HydrophobicContact CE1-CD1 3.36Å; F565-I567 HydrophobicContact CE1-CG1 3.58Å; F565-I567 HydrophobicContact CE2-CD1 4.16Å; F565-I567 HydrophobicContact CZ-CD1 3.16Å; F565-I567 HydrophobicContact CZ-CG1 3.73Å
566T76.1Confident70.4Confident41 Ų4138.9 Ų38.925%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-138.4125.7-175.9-76.20000110.9K507 Y508 M557K507-T566 HydrophobicContact CD-CG2 4.15Å; K507-T566 HydrophobicContact CG-CG2 4.11Å; Y508-T566 CarbonylContact O-C 3.59Å; Y508-T566 VanDerWaalsContact O-CA 3.28Å; Y508-T566 WeakPolarHBondContact O-CA 3.36Å; M557-T566 VanDerWaalsContact CG-O 3.29Å; M557-T566 WeakPolarHBondContact CG-O 3.46Å
567I77.4Confident70.8Confident7 Ų739.5 Ų39.54%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-131.5128.5178.5-66.9-167000109.9K507 Y508 F521 M557 F565 V569K507-I567 CarbonylContact C-O 3.43Å; K507-I567 WeakPolarHBondContact CA-O 3.43Å; Y508-I567 PolarHBondContact N-O 2.82Å; Y508-I567 PolarHBondContact O-N 2.73Å; F521-I567 HydrophobicContact CB-CD1 4.12Å; F521-I567 HydrophobicContact CD1-CD1 3.52Å; F521-I567 HydrophobicContact CD2-CD1 3.57Å; F521-I567 HydrophobicContact CE1-CD1 3.72Å; F521-I567 HydrophobicContact CE1-CG2 3.91Å; F521-I567 HydrophobicContact CE2-CD1 3.75Å; F521-I567 HydrophobicContact CG-CD1 3.44Å; F521-I567 VanDerWaalsContact CG-CD1 3.44Å; F521-I567 HydrophobicContact CZ-CB 4.27Å; F521-I567 HydrophobicContact CZ-CD1 3.82Å; F521-I567 HydrophobicContact CZ-CG2 3.85Å; M557-I567 HydrophobicContact CB-CG1 4.05Å; M557-I567 HydrophobicContact CG-CG1 4.27Å; M557-I567 HydrophobicContact SD-CD1 4.07Å; M557-I567 HydrophobicContact SD-CG1 3.84Å; F565-I567 HydrophobicContact CD1-CD1 4.48Å; F565-I567 HydrophobicContact CD1-CG1 4.3Å; F565-I567 HydrophobicContact CE1-CD1 3.36Å; F565-I567 HydrophobicContact CE1-CG1 3.58Å; F565-I567 HydrophobicContact CE2-CD1 4.16Å; F565-I567 HydrophobicContact CZ-CD1 3.16Å; F565-I567 HydrophobicContact CZ-CG1 3.73Å; I567-V569 HydrophobicContact CG2-CG2 4.42Å; I567-V569 PolarHBondContact O-N 2.93Å
568S72.8Confident71.4Confident43 Ų4339.1 Ų39.130%0.30127%0.269SS..EExtended strand (participates in β ladder)trans-70.1124.8164.5-60.30000108.5Y555Y555-S568 WeakPolarHBondContact CB-O 3.39Å; Y555-S568 WeakPolarHBondContact CD1-O 3.32Å
569V71.1Confident72.6Confident3 Ų336.7 Ų36.72%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-98.5-0.4177.7-176.30000111.3L464 A506 I525 Y555 I567 L572L464-V569 HydrophobicContact CD1-CB 4.07Å; L464-V569 HydrophobicContact CD1-CG1 4.44Å; L464-V569 HydrophobicContact CD1-CG2 3.8Å; A506-V569 HydrophobicContact CB-CB 4.33Å; A506-V569 WeakPolarHBondContact O-CA 3.07Å; A506-V569 PolarHBondContact O-N 2.82Å; I525-V569 HydrophobicContact CD1-CG1 4.01Å; Y555-V569 WeakPolarHBondContact CE1-O 3.27Å; Y555-V569 PolarHBondContact OH-O 3.11Å; Y555-V569 VanDerWaalsContact OH-O 3.1Å; I567-V569 HydrophobicContact CG2-CG2 4.42Å; I567-V569 PolarHBondContact O-N 2.93Å; V569-L572 HydrophobicContact CG1-CD2 4.33Å
570G67.9Low74.1Confident15 Ų1533.5 Ų33.516%0.15524%0.241CC..EExtended strand (participates in β ladder)trans69-158170.400000113.4E505 A506 L572E505-G570 WeakPolarHBondContact CA-O 3.13Å; A506-G570 PolarHBondContact N-O 3.18Å; A506-G570 PolarHBondContact O-N 2.95Å; G570-L572 PolarHBondContact O-N 3.49Å
571N72.5Confident76.1Confident84 Ų8430.6 Ų30.645%0.44921%0.205SC..EExtended strand (participates in β ladder)trans-82.3103.7-170.2-167.47.6000112.5P503 I504P503-N571 WeakPolarHBondContact CB-OD1 3.38Å; I504-N571 CarbonylContact O-C 3.54Å; I504-N571 WeakPolarHBondContact O-CA 3.05Å; I504-N571 PolarHBondContact O-OD1 2.89Å
572L77.5Confident77.8Confident2 Ų228.3 Ų28.31%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-87.3118.3176.6-67.5173.9000111.1L464 N498 P503 I504 A506 I525 V569 G570 V578L464-L572 HydrophobicContact CD2-CD1 3.86Å; N498-L572 PolarHBondContact ND2-O 3.07Å; N498-L572 VanDerWaalsContact ND2-O 3.08Å; P503-L572 CarbonylContact C-O 3.56Å; P503-L572 VanDerWaalsContact CA-O 3.24Å; P503-L572 WeakPolarHBondContact CA-O 3.46Å; I504-L572 HydrophobicContact CD1-CB 4.49Å; I504-L572 HydrophobicContact CD1-CD1 4.33Å; I504-L572 HydrophobicContact CG1-CB 3.82Å; I504-L572 HydrophobicContact CG1-CD1 4.39Å; I504-L572 PolarHBondContact N-O 3.08Å; I504-L572 PolarHBondContact O-N 3.41Å; A506-L572 HydrophobicContact CB-CD1 3.46Å; A506-L572 VanDerWaalsContact CB-CD1 3.46Å; A506-L572 HydrophobicContact CB-CG 4.13Å; I525-L572 HydrophobicContact CD1-CD2 4.22Å; I525-L572 HydrophobicContact CG1-CD2 4.36Å; I525-L572 HydrophobicContact CG2-CD2 3.91Å; V569-L572 HydrophobicContact CG1-CD2 4.33Å; G570-L572 PolarHBondContact O-N 3.49Å; L572-V578 HydrophobicContact CD1-CG1 4.38Å; L572-V578 HydrophobicContact CD2-CB 4.4Å
573P79.1Confident79.6Confident51 Ų5125 Ų2533%0.33116%0.164SC..PPolyproline II helixtrans-62.3160178.3-23.434000114.2N498 G575 A576N498-P573 WeakPolarHBondContact CB-O 3.39Å; N498-P573 PolarHBondContact ND2-O 3.11Å; P573-G575 PolarHBondContact O-N 2.9Å; P573-A576 HydrophobicContact CB-CB 4.26Å; P573-A576 HydrophobicContact CG-CB 4.48Å; P573-A576 WeakPolarHBondContact O-CB 3.37Å; P573-A576 PolarHBondContact O-N 3.3Å
574P81.8Confident80.9Confident61 Ų6124.2 Ų24.240%0.39616%0.159SC..THydrogen-bonded Turntrans-53.5132.9170.4-23.732.7000111.8S500 S501 P503 A576S500-P574 WeakPolarHBondContact O-CA 3.29Å; S500-P574 WeakPolarHBondContact O-CB 3.46Å; S501-P574 VanDerWaalsContact O-CG 3.3Å; S501-P574 WeakPolarHBondContact O-CG 3.45Å; P503-P574 HydrophobicContact CG-CG 4.47Å; P574-A576 PolarHBondContact O-N 2.81Å
575G80.9Confident81.9Confident53 Ų5322.4 Ų22.455%0.54615%0.148SC..THydrogen-bonded Turntrans73.5-3179.200000115.4N498 P573N498-G575 WeakPolarHBondContact O-CA 3.45Å; N498-G575 PolarHBondContact O-N 2.79Å; P573-G575 PolarHBondContact O-N 2.9Å
576A80.6Confident82.7Confident4 Ų422.7 Ų22.73%0.03315%0.151CC..  trans-64.6136.5-179.200000111.3T497 N498 N526 P573 P574T497-A576 CarbonylContact C-O 3.55Å; T497-A576 WeakPolarHBondContact CA-O 3.21Å; N498-A576 PolarHBondContact N-O 2.9Å; N526-A576 WeakPolarHBondContact OD1-CA 3.19Å; N526-A576 VanDerWaalsContact OD1-CB 3.28Å; N526-A576 WeakPolarHBondContact OD1-CB 3.18Å; P573-A576 HydrophobicContact CB-CB 4.26Å; P573-A576 HydrophobicContact CG-CB 4.48Å; P573-A576 WeakPolarHBondContact O-CB 3.37Å; P573-A576 PolarHBondContact O-N 3.3Å; P574-A576 PolarHBondContact O-N 2.81Å
577T84.6Confident83.5Confident48 Ų4823 Ų2329%0.29415%0.149SC..EExtended strand (participates in β ladder)trans-101.4133.7172-63.70000109.1K495 Y496 T497K495-T577 HydrophobicContact CD-CG2 4.45Å; K495-T577 HydrophobicContact CG-CG2 4.02Å; Y496-T577 WeakPolarHBondContact O-CA 3.43Å; T497-T577 PolarHBondContact OG1-OG1 3.18Å
578V86.1Confident84.2Confident2 Ų223 Ų231%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-120.4130.3175.759.80000109.9L464 Y496 F524 I525 L572 I580L464-V578 HydrophobicContact CD2-CG1 3.7Å; Y496-V578 HydrophobicContact CD2-CG1 4.33Å; Y496-V578 HydrophobicContact CG-CG1 4.49Å; Y496-V578 PolarHBondContact N-O 3.01Å; Y496-V578 PolarHBondContact O-N 2.82Å; F524-V578 WeakPolarHBondContact O-CA 3.34Å; I525-V578 HydrophobicContact CG1-CB 4.29Å; I525-V578 HydrophobicContact CG1-CG2 3.71Å; L572-V578 HydrophobicContact CD1-CG1 4.38Å; L572-V578 HydrophobicContact CD2-CB 4.4Å; V578-I580 HydrophobicContact CG2-CG1 3.95Å
579L89.6Confident84.8Confident3 Ų324.1 Ų24.12%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-106.4120.3167.9-175.574.4000108.2F493 Q494 K495 F524 I1041 L1044F493-L579 HydrophobicContact CB-CD1 4.25Å; F493-L579 HydrophobicContact CD1-CD2 4.18Å; Q494-L579 WeakPolarHBondContact O-CA 3.42Å; K495-L579 HydrophobicContact CB-CD1 4.22Å; F524-L579 HydrophobicContact CB-CB 4.22Å; F524-L579 HydrophobicContact CD2-CB 4.3Å; F524-L579 HydrophobicContact CD2-CD2 4.11Å; F524-L579 HydrophobicContact CD2-CG 4.44Å; F524-L579 PolarHBondContact N-O 3.06Å; F524-L579 PolarHBondContact O-N 3.14Å; L579-I1041 HydrophobicContact CD1-CG2 3.96Å; L579-I1041 HydrophobicContact CD2-CB 4.47Å; L579-I1041 HydrophobicContact CD2-CG1 4.2Å; L579-I1041 HydrophobicContact CD2-CG2 3.94Å; L579-L1044 HydrophobicContact CD2-CD1 3.98Å
580I89.9Confident85.6Confident0 Ų024.6 Ų24.60%016%0.157CC..EExtended strand (participates in β ladder)trans-102.6124.1176.3-58.9-178.6000107.7L464 F493 Q494 Y496 Y508 F521 V578 V582L464-I580 HydrophobicContact CD1-CD1 4.16Å; F493-I580 CarbonylContact C-O 3.15Å; F493-I580 VanDerWaalsContact CA-O 3.32Å; F493-I580 WeakPolarHBondContact CA-O 3.48Å; Q494-I580 PolarHBondContact N-O 3.13Å; Q494-I580 PolarHBondContact O-N 2.85Å; Y496-I580 HydrophobicContact CD2-CD1 4.17Å; Y496-I580 HydrophobicContact CE2-CD1 3.98Å; Y508-I580 HydrophobicContact CD1-CG2 4.34Å; Y508-I580 HydrophobicContact CD2-CD1 3.33Å; Y508-I580 HydrophobicContact CE1-CG2 4.01Å; Y508-I580 HydrophobicContact CE2-CD1 3.74Å; Y508-I580 HydrophobicContact CE2-CG2 4.19Å; Y508-I580 HydrophobicContact CG-CD1 3.78Å; F521-I580 HydrophobicContact CD2-CG2 4.31Å; F521-I580 HydrophobicContact CE2-CG2 3.57Å; F521-I580 HydrophobicContact CZ-CG2 4.23Å; V578-I580 HydrophobicContact CG2-CG1 3.95Å; I580-V582 HydrophobicContact CG2-CG2 3.88Å
581K92.2Very high86.3Confident21 Ų2129.9 Ų29.99%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-110116172.8-179.6-171.4176.5-167.70109I491 I492 F493 F521 E522 F524 E1048I491-K581 HydrophobicContact CG2-CD 4.45Å; I491-K581 HydrophobicContact CG2-CG 4Å; I492-K581 CarbonylContact O-C 3.57Å; I492-K581 VanDerWaalsContact O-CA 3.27Å; I492-K581 WeakPolarHBondContact O-CA 3.26Å; F493-K581 HydrophobicContact CD1-CB 4.01Å; F493-K581 HydrophobicContact CD1-CD 4.41Å; F493-K581 HydrophobicContact CD1-CG 4.01Å; F493-K581 HydrophobicContact CE1-CB 4.04Å; F493-K581 HydrophobicContact CE1-CD 3.61Å; F493-K581 HydrophobicContact CE1-CG 3.65Å; F493-K581 HydrophobicContact CZ-CD 3.92Å; F493-K581 HydrophobicContact CZ-CG 4.04Å; F521-K581 WeakPolarHBondContact CA-O 3.26Å; E522-K581 HydrophobicContact CB-CB 4.21Å; E522-K581 PolarHBondContact N-O 3.04Å; E522-K581 PolarHBondContact O-N 3.49Å; E522-K581 WeakPolarHBondContact OE1-CD 3.09Å; E522-K581 WeakPolarHBondContact OE1-CE 3.39Å; E522-K581 IonicContact OE1-NZ 3.7Å; E522-K581 PolarHBondContact OE1-NZ 3.36Å; F524-K581 HydrophobicContact CE2-CB 4.36Å; K581-E1048 WeakPolarHBondContact CE-OE1 3.23Å; K581-E1048 IonicContact NZ-OE1 3.9Å; K581-E1048 PolarHBondContact NZ-OE1 2.87Å
582V90.4Very high86.6Confident1 Ų132.6 Ų32.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-112.4130.1176-173.30000108.7I491 I492 Y508 F510 V518 F521 I580 F584I491-V582 CarbonylContact C-O 3.59Å; I491-V582 WeakPolarHBondContact CA-O 3.39Å; I492-V582 PolarHBondContact N-O 2.84Å; I492-V582 PolarHBondContact O-N 2.92Å; Y508-V582 HydrophobicContact CE1-CG2 3.76Å; F510-V582 HydrophobicContact CD1-CG1 4.43Å; F510-V582 HydrophobicContact CE1-CG1 4.45Å; V518-V582 HydrophobicContact CG1-CG1 4.19Å; F521-V582 HydrophobicContact CD2-CG2 4.23Å; I580-V582 HydrophobicContact CG2-CG2 3.88Å; V582-F584 HydrophobicContact CG1-CD1 4.42Å
583T91.9Very high86.9Confident12 Ų1233.1 Ų33.17%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-117.4122.3172.5-550000109.6Q489 V490 I491 C519 G520Q489-T583 HydrophobicContact CG-CG2 4.38Å; V490-T583 WeakPolarHBondContact O-CA 3.48Å; I491-T583 HydrophobicContact CG1-CG2 3.92Å; C519-T583 PolarHBondContact N-O 3.47Å; C519-T583 PolarHBondContact SG-O 2.84Å; G520-T583 PolarHBondContact N-O 2.88Å; G520-T583 PolarHBondContact O-N 3.01Å
584F91.2Very high87.5Confident14 Ų1432 Ų326%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-134157.4175.366.8-89.5000111.7Q489 V490 I492 F510 L512 A516 A517 V518 V582 L599Q489-F584 WeakPolarHBondContact CA-O 3.32Å; V490-F584 HydrophobicContact CB-CD1 4.18Å; V490-F584 HydrophobicContact CB-CD2 4.31Å; V490-F584 HydrophobicContact CB-CE1 3.65Å; V490-F584 HydrophobicContact CB-CE2 3.79Å; V490-F584 HydrophobicContact CB-CG 4.49Å; V490-F584 HydrophobicContact CB-CZ 3.44Å; V490-F584 VanDerWaalsContact CB-CZ 3.44Å; V490-F584 HydrophobicContact CG1-CE1 3.81Å; V490-F584 HydrophobicContact CG1-CZ 3.73Å; V490-F584 HydrophobicContact CG2-CE1 4.47Å; V490-F584 HydrophobicContact CG2-CE2 3.77Å; V490-F584 HydrophobicContact CG2-CZ 3.77Å; V490-F584 PolarHBondContact N-O 3.48Å; V490-F584 PolarHBondContact O-N 2.88Å; I492-F584 HydrophobicContact CD1-CE1 3.75Å; I492-F584 HydrophobicContact CD1-CZ 4.36Å; I492-F584 HydrophobicContact CG1-CE1 4.13Å; F510-F584 HydrophobicContact CE1-CD1 4.01Å; F510-F584 AromaticContact CE1-CE1 3.79Å; F510-F584 HydrophobicContact CE1-CE1 3.79Å; F510-F584 HydrophobicContact CZ-CD1 4.42Å; F510-F584 AromaticContact CZ-CE1 3.82Å; F510-F584 HydrophobicContact CZ-CE1 3.82Å; L512-F584 HydrophobicContact CD2-CB 4.39Å; L512-F584 HydrophobicContact CD2-CD1 4.17Å; L512-F584 HydrophobicContact CD2-CD2 3.93Å; L512-F584 HydrophobicContact CD2-CE1 4.38Å; L512-F584 HydrophobicContact CD2-CE2 4.16Å; L512-F584 HydrophobicContact CD2-CG 3.92Å; L512-F584 HydrophobicContact CD2-CZ 4.36Å; A516-F584 HydrophobicContact CB-CD2 4.27Å; A517-F584 WeakPolarHBondContact O-CA 3.29Å; A517-F584 WeakPolarHBondContact O-CB 3.48Å; V518-F584 HydrophobicContact CG2-CB 4.33Å; V582-F584 HydrophobicContact CG1-CD1 4.42Å; F584-L599 HydrophobicContact CZ-CD1 4.14Å
585V92.2Very high88.1Confident0 Ų029.3 Ų29.30%017%0.168CC..EExtended strand (participates in β ladder)trans-121.1146175.7-64.60000109.2S488 Q489 A516 A517 F971 K974 L975S488-V585 CarbonylContact O-C 3.56Å; S488-V585 WeakPolarHBondContact O-CA 3.3Å; Q489-V585 HydrophobicContact CB-CG1 4.18Å; Q489-V585 HydrophobicContact CG-CG1 4.26Å; A516-V585 CarbonylContact C-O 3.6Å; A516-V585 VanDerWaalsContact CA-O 3.28Å; A516-V585 WeakPolarHBondContact CA-O 3.37Å; A517-V585 HydrophobicContact CB-CG2 4.25Å; A517-V585 PolarHBondContact N-O 3.24Å; A517-V585 PolarHBondContact O-N 3.07Å; V585-F971 HydrophobicContact CB-CD2 4.46Å; V585-F971 HydrophobicContact CB-CE2 4.12Å; V585-F971 HydrophobicContact CG1-CD2 3.69Å; V585-F971 HydrophobicContact CG1-CE2 3.74Å; V585-K974 HydrophobicContact CG2-CB 4.5Å; V585-L975 HydrophobicContact CB-CD1 4.37Å; V585-L975 HydrophobicContact CB-CD2 4.05Å; V585-L975 HydrophobicContact CB-CG 3.96Å; V585-L975 HydrophobicContact CG2-CD2 3.83Å; V585-L975 HydrophobicContact CG2-CG 3.88Å
586S91Very high88.7Confident12 Ų1229.3 Ų29.38%0.08416%0.155CC..EExtended strand (participates in β ladder)trans-150.8163.6177.668.80000112.4S488S488-S586 PolarHBondContact N-O 3.05Å; S488-S586 PolarHBondContact O-N 3.4Å; S488-S586 PolarHBondContact OG-OG 3.34Å
587E93Very high89.2Confident47 Ų4729.5 Ų29.522%0.2216%0.155CC..EExtended strand (participates in β ladder)trans-88.9141.3170.9-61.4179.2161.300109.9L486 L487 L933 Y935L486-E587 CarbonylContact O-C 3.41Å; L486-E587 WeakPolarHBondContact O-CA 3.28Å; L487-E587 HydrophobicContact CD2-CG 4.42Å; E587-L933 HydrophobicContact CB-CD1 4.25Å; E587-L933 HydrophobicContact CG-CD1 3.86Å; E587-Y935 VanDerWaalsContact OE1-CE2 3.22Å; E587-Y935 WeakPolarHBondContact OE1-CE2 3.42Å; E587-Y935 PolarHBondContact OE1-OH 2.96Å
588L92Very high89.5Confident7 Ų730 Ų304%0.03716%0.161CC..PPolyproline II helixtrans-92.3148177.9-59.8178.5000110.7L483 L486 I595 F597L483-L588 HydrophobicContact CD2-CD1 4.21Å; L486-L588 WeakPolarHBondContact O-CB 3.32Å; L486-L588 PolarHBondContact O-N 3.33Å; L588-I595 HydrophobicContact CB-CG2 3.89Å; L588-I595 HydrophobicContact CD1-CG2 3.66Å; L588-I595 HydrophobicContact CG-CG2 4.44Å; L588-F597 HydrophobicContact CD2-CB 4.2Å; L588-F597 HydrophobicContact CD2-CD2 3.78Å; L588-F597 HydrophobicContact CD2-CG 4.49Å
589V85.9Confident89.6Confident66 Ų6630.1 Ų30.140%0.416%0.162SC..EExtended strand (participates in β ladder)trans-91.3138.4178.6-173.70000110R591 L596V589-R591 HydrophobicContact CG1-CG 4.03Å; V589-L596 PolarHBondContact O-N 2.85Å
590V88.3Confident89.3Confident13 Ų1332.2 Ų32.28%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-99.5122.7169-171.30000108.7L486 S594 I595 Y711 H931L486-V590 HydrophobicContact CD1-CG2 3.99Å; L486-V590 HydrophobicContact CD2-CG2 3.48Å; L486-V590 VanDerWaalsContact CD2-CG2 3.48Å; L486-V590 HydrophobicContact CG-CG2 4.42Å; V590-S594 CarbonylContact C-O 3.51Å; V590-S594 WeakPolarHBondContact CA-O 3.39Å; V590-I595 HydrophobicContact CG2-CG1 4.4Å; V590-Y711 HydrophobicContact CB-CE2 4.06Å; V590-Y711 HydrophobicContact CG1-CD2 4.42Å; V590-Y711 HydrophobicContact CG1-CE1 3.92Å; V590-Y711 HydrophobicContact CG1-CE2 3.76Å; V590-Y711 VanDerWaalsContact CG1-CZ 3.48Å; V590-H931 HydrophobicContact CG2-CB 4.46Å
591R82.5Confident88.7Confident127 Ų12732.7 Ų32.748%0.47918%0.18SC..EExtended strand (participates in β ladder)trans-125.7127.4171.4-64-171.8179-155.7-3.7109.1V589 G593 S594 L596 E886V589-R591 HydrophobicContact CG1-CG 4.03Å; R591-G593 VanDerWaalsContact C-N 3.27Å; R591-G593 PolarHBondContact O-N 3.05Å; R591-S594 PolarHBondContact N-O 3.29Å; R591-S594 PolarHBondContact O-N 3.15Å; R591-L596 HydrophobicContact CB-CD1 3.69Å; R591-L596 HydrophobicContact CG-CD1 3.72Å; R591-E886 IonicContact NH2-OE1 2.89Å; R591-E886 IonicContact NH2-OE2 3.73Å; R591-E886 PolarHBondContact NH2-OE2 2.97Å; R591-E886 VanDerWaalsContact NH2-OE2 3.15Å
592D78.8Confident87.7Confident141 Ų14133.5 Ų33.575%0.75419%0.189SC*.THydrogen-bonded Turntrans48.447178.9-52.1-40.8000113.2S594D592-S594 PolarHBondContact O-N 3.25Å
593G83.6Confident86.8Confident13 Ų1333.6 Ų33.613%0.13419%0.19CC..THydrogen-bonded Turntrans71.83.4-179.300000115.8R591 Y711R591-G593 VanDerWaalsContact C-N 3.27Å; R591-G593 PolarHBondContact O-N 3.05Å; G593-Y711 PolarHBondContact N-OH 3.32Å
594S90.5Very high85.5Confident28 Ų2833.2 Ų33.220%0.19619%0.187CC..EExtended strand (participates in β ladder)trans-108.6134.9176.8-62.80000111.7V590 R591 D592 T684V590-S594 CarbonylContact C-O 3.51Å; V590-S594 WeakPolarHBondContact CA-O 3.39Å; R591-S594 PolarHBondContact N-O 3.29Å; R591-S594 PolarHBondContact O-N 3.15Å; D592-S594 PolarHBondContact O-N 3.25Å; S594-T684 PolarHBondContact OG-OG1 3.29Å
595I94.4Very high84.2Confident3 Ų333.6 Ų33.62%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-82.9123.5175.1-54.5169.6000107.7L486 L588 V590 M641 S682 V683 L685L486-I595 HydrophobicContact CD2-CB 4.42Å; L486-I595 HydrophobicContact CD2-CD1 3.73Å; L486-I595 HydrophobicContact CD2-CG1 3.65Å; L486-I595 HydrophobicContact CD2-CG2 3.95Å; L588-I595 HydrophobicContact CB-CG2 3.89Å; L588-I595 HydrophobicContact CD1-CG2 3.66Å; L588-I595 HydrophobicContact CG-CG2 4.44Å; V590-I595 HydrophobicContact CG2-CG1 4.4Å; I595-M641 HydrophobicContact CD1-CE 4.2Å; I595-M641 HydrophobicContact CD1-SD 3.84Å; I595-S682 WeakPolarHBondContact O-CA 3.48Å; I595-V683 HydrophobicContact CB-CB 4.44Å; I595-V683 PolarHBondContact N-O 3.46Å; I595-V683 PolarHBondContact O-N 3.21Å; I595-L685 HydrophobicContact CD1-CD1 3.94Å; I595-L685 HydrophobicContact CD1-CG 4.21Å
596L93.1Very high82.9Confident53 Ų5335 Ų3528%0.27720%0.197SC..EExtended strand (participates in β ladder)trans-108.1124.5-177.4-70.8162000110.3V589 R591 I651V589-L596 PolarHBondContact O-N 2.85Å; R591-L596 HydrophobicContact CB-CD1 3.69Å; R591-L596 HydrophobicContact CG-CD1 3.72Å; L596-I651 HydrophobicContact CD2-CD1 4.49Å
597F93Very high81.1Confident8 Ų839.5 Ų39.54%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-106.1127.7166.1174.5-109.6000109C481 L483 V490 L588 L599 I637 F679 Q680 M681C481-F597 VanDerWaalsContact SG-CZ 3.59Å; L483-F597 HydrophobicContact CD1-CB 3.93Å; L483-F597 HydrophobicContact CD1-CD1 4.46Å; L483-F597 HydrophobicContact CD1-CG 4.07Å; L483-F597 HydrophobicContact CD2-CB 4.49Å; L483-F597 HydrophobicContact CD2-CD2 3.72Å; L483-F597 HydrophobicContact CD2-CE2 4.07Å; L483-F597 HydrophobicContact CD2-CG 4.06Å; V490-F597 HydrophobicContact CG2-CE2 3.98Å; V490-F597 HydrophobicContact CG2-CZ 4.12Å; L588-F597 HydrophobicContact CD2-CB 4.2Å; L588-F597 HydrophobicContact CD2-CD2 3.78Å; L588-F597 HydrophobicContact CD2-CG 4.49Å; F597-L599 HydrophobicContact CZ-CB 4.36Å; F597-I637 HydrophobicContact CD1-CD1 4.21Å; F597-I637 HydrophobicContact CE1-CD1 4.09Å; F597-F679 HydrophobicContact CD1-CD1 4.03Å; F597-F679 HydrophobicContact CD1-CE1 4.06Å; F597-F679 AromaticContact CE1-CD1 3.93Å; F597-F679 HydrophobicContact CE1-CD1 3.93Å; F597-F679 HydrophobicContact CE1-CE1 4.2Å; F597-Q680 WeakPolarHBondContact O-CA 3.38Å; F597-M681 PolarHBondContact N-O 2.91Å; F597-M681 PolarHBondContact O-N 3.22Å
598S90Very high78.8Confident60 Ų6044.9 Ų44.942%0.4224%0.241SC..EExtended strand (participates in β ladder)trans-130.1136.6176.3-171.90000109.6F679S598-F679 CarbonylContact C-O 3.56Å; S598-F679 WeakPolarHBondContact CA-O 3.32Å
599L88.1Confident76.1Confident3 Ų349.5 Ų49.52%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-120.8113.6168.8-173.968.7000107.9V479 V490 I492 F584 F597 V603 L635 M674 G678 F679V479-L599 HydrophobicContact CG1-CD2 3.98Å; V479-L599 HydrophobicContact CG2-CD2 3.98Å; V490-L599 HydrophobicContact CG1-CD1 4.33Å; I492-L599 HydrophobicContact CD1-CD1 4.06Å; F584-L599 HydrophobicContact CZ-CD1 4.14Å; F597-L599 HydrophobicContact CZ-CB 4.36Å; L599-V603 HydrophobicContact CD1-CG1 4.41Å; L599-V603 HydrophobicContact CD1-CG2 3.89Å; L599-V603 HydrophobicContact CD2-CG1 4.3Å; L599-V603 HydrophobicContact CG-CB 4.43Å; L599-V603 HydrophobicContact CG-CG1 4.36Å; L599-V603 HydrophobicContact CG-CG2 4.13Å; L599-L635 HydrophobicContact CD2-CD1 4.25Å; L599-M674 HydrophobicContact CB-CE 4.13Å; L599-M674 HydrophobicContact CD2-CE 3.93Å; L599-M674 HydrophobicContact CG-CE 3.92Å; L599-M674 WeakPolarHBondContact O-CE 3.31Å; L599-G678 CarbonylContact O-C 3.54Å; L599-G678 VanDerWaalsContact O-CA 3.3Å; L599-G678 WeakPolarHBondContact O-CA 3.09Å; L599-F679 HydrophobicContact CB-CB 4.22Å; L599-F679 PolarHBondContact N-O 2.78Å; L599-F679 PolarHBondContact O-N 2.82Å
600P83.6Confident73.5Confident47 Ų4750.7 Ų50.731%0.30529%0.291SS..  trans-59.1147.4-175.2-26.334.5000113.7S602 V603 M674P600-S602 WeakPolarHBondContact CB-OG 3.43Å; P600-S602 PolarHBondContact O-N 2.99Å; P600-V603 WeakPolarHBondContact O-CB 3.32Å; P600-V603 VanDerWaalsContact O-CG2 3.29Å; P600-V603 WeakPolarHBondContact O-CG2 3.46Å; P600-V603 PolarHBondContact O-N 2.96Å; P600-V603 VanDerWaalsContact O-N 3.17Å; P600-M674 WeakPolarHBondContact O-CE 3.42Å
601G76.2Confident70.8Confident10 Ų1054.7 Ų54.710%0.10333%0.326CS..G310 helixtrans-62.3-25.2174.100000113.8V603 A604 G675G601-V603 PolarHBondContact O-N 2.93Å; G601-V603 VanDerWaalsContact O-N 3.08Å; G601-A604 CarbonylContact O-C 3.45Å; G601-A604 VanDerWaalsContact O-C 3.26Å; G601-A604 PolarHBondContact O-N 2.65Å; G601-G675 WeakPolarHBondContact CA-O 3.46Å
602S71.9Confident68.5Low39 Ų3954.7 Ų54.727%0.27333%0.334SS..G310 helixtrans-62.4-13.8175.157.80000114A462 P511 P600 P605A462-S602 VanDerWaalsContact CB-O 3.3Å; A462-S602 WeakPolarHBondContact CB-O 3.42Å; P511-S602 VanDerWaalsContact CG-OG 3.29Å; P511-S602 WeakPolarHBondContact CG-OG 3.29Å; P600-S602 WeakPolarHBondContact CB-OG 3.43Å; P600-S602 PolarHBondContact O-N 2.99Å; S602-P605 VanDerWaalsContact O-CD 3.23Å; S602-P605 WeakPolarHBondContact O-CD 3.29Å; S602-P605 WeakPolarHBondContact O-CG 3.38Å
603V71.6Confident66.3Low3 Ų355.3 Ų55.32%0.01834%0.338CS..G310 helixtrans-69.1-23.2168.9172.30000111.9I492 Q494 F510 L599 P600 G601 P605I492-V603 HydrophobicContact CD1-CG1 3.39Å; I492-V603 HydrophobicContact CD1-CG2 4.5Å; I492-V603 HydrophobicContact CG2-CG1 4.18Å; Q494-V603 PolarHBondContact NE2-O 3.23Å; F510-V603 HydrophobicContact CE2-CB 4.36Å; F510-V603 HydrophobicContact CE2-CG1 4.12Å; F510-V603 HydrophobicContact CE2-CG2 3.97Å; F510-V603 HydrophobicContact CZ-CG1 4.47Å; F510-V603 HydrophobicContact CZ-CG2 3.96Å; L599-V603 HydrophobicContact CD1-CG1 4.41Å; L599-V603 HydrophobicContact CD1-CG2 3.89Å; L599-V603 HydrophobicContact CD2-CG1 4.3Å; L599-V603 HydrophobicContact CG-CB 4.43Å; L599-V603 HydrophobicContact CG-CG1 4.36Å; L599-V603 HydrophobicContact CG-CG2 4.13Å; P600-V603 WeakPolarHBondContact O-CB 3.32Å; P600-V603 VanDerWaalsContact O-CG2 3.29Å; P600-V603 WeakPolarHBondContact O-CG2 3.46Å; P600-V603 PolarHBondContact O-N 2.96Å; P600-V603 VanDerWaalsContact O-N 3.17Å; G601-V603 PolarHBondContact O-N 2.93Å; G601-V603 VanDerWaalsContact O-N 3.08Å; V603-P605 VanDerWaalsContact C-CD 3.48Å
604A64.9Low63.9Low3 Ų363.5 Ų63.53%0.02537%0.373CS..SBendtrans-128.469.9172.500000109.5L474 V477 G601 W606 M674L474-A604 HydrophobicContact CD2-CB 4.17Å; V477-A604 HydrophobicContact CG2-CB 3.95Å; G601-A604 CarbonylContact O-C 3.45Å; G601-A604 VanDerWaalsContact O-C 3.26Å; G601-A604 PolarHBondContact O-N 2.65Å; A604-W606 HydrophobicContact CB-CZ2 4.07Å; A604-W606 PolarHBondContact O-N 3.23Å; A604-W606 PolarHBondContact O-NE1 2.85Å; A604-M674 HydrophobicContact CB-CB 3.75Å; A604-M674 HydrophobicContact CB-CG 3.69Å
605P64.3Low61.5Low22 Ų2268.7 Ų68.714%0.14340%0.403CS..  trans-75.975.6-175.428.4-26.7000109.1A462 Q471 S602 V603 Q607A462-P605 HydrophobicContact CB-CB 4.39Å; A462-P605 HydrophobicContact CB-CG 4.02Å; A462-P605 WeakPolarHBondContact O-CG 3.32Å; Q471-P605 VanDerWaalsContact NE2-CG 3.31Å; Q471-P605 PolarHBondContact NE2-O 3.32Å; S602-P605 VanDerWaalsContact O-CD 3.23Å; S602-P605 WeakPolarHBondContact O-CD 3.29Å; S602-P605 WeakPolarHBondContact O-CG 3.38Å; V603-P605 VanDerWaalsContact C-CD 3.48Å; P605-Q607 PolarHBondContact O-N 2.98Å
606W64.7Low58.5Low31 Ų3174.9 Ų74.912%0.11744%0.441CS..  trans-69131.7176.7-48.4104.2000109L474 V477 A604 E608 R631 M674L474-W606 HydrophobicContact CB-CE3 3.95Å; L474-W606 HydrophobicContact CB-CZ3 3.96Å; L474-W606 HydrophobicContact CD2-CD2 4.28Å; L474-W606 HydrophobicContact CD2-CE3 4.04Å; L474-W606 HydrophobicContact CD2-CH2 4.09Å; L474-W606 HydrophobicContact CD2-CZ2 4.3Å; L474-W606 HydrophobicContact CD2-CZ3 3.96Å; L474-W606 HydrophobicContact CG-CE3 4.05Å; L474-W606 HydrophobicContact CG-CH2 4.07Å; L474-W606 HydrophobicContact CG-CZ3 3.69Å; L474-W606 VanDerWaalsContact O-CZ3 3.22Å; L474-W606 WeakPolarHBondContact O-CZ3 3.34Å; V477-W606 HydrophobicContact CB-CZ2 4.5Å; V477-W606 HydrophobicContact CG2-CH2 3.92Å; V477-W606 HydrophobicContact CG2-CZ2 3.89Å; A604-W606 HydrophobicContact CB-CZ2 4.07Å; A604-W606 PolarHBondContact O-N 3.23Å; A604-W606 PolarHBondContact O-NE1 2.85Å; W606-E608 PolarHBondContact O-N 2.91Å; W606-R631 VanDerWaalsContact CB-CZ 3.45Å; W606-R631 HydrophobicContact CD2-CB 4.34Å; W606-R631 HydrophobicContact CD2-CG 4.13Å; W606-R631 HydrophobicContact CE3-CB 3.99Å; W606-R631 HydrophobicContact CE3-CG 3.57Å; W606-R631 HydrophobicContact CH2-CB 3.78Å; W606-R631 HydrophobicContact CH2-CG 4.27Å; W606-R631 HydrophobicContact CZ2-CB 4.15Å; W606-R631 HydrophobicContact CZ3-CB 3.67Å; W606-R631 HydrophobicContact CZ3-CG 3.64Å; W606-M674 VanDerWaalsContact CD1-O 3.31Å; W606-M674 PolarHBondContact NE1-O 3.1Å; W606-M674 VanDerWaalsContact NE1-O 3.17Å
607Q53.1Low55.6Low105 Ų10580.9 Ų80.949%0.49147%0.468SS..  trans-60.3112.5173.9-120.1-177.3-11.500109.5P605 R631P605-Q607 PolarHBondContact O-N 2.98Å; Q607-R631 PolarHBondContact O-NH2 3.43Å
608E44.9Very low52.9Low160 Ų16086.5 Ų86.575%0.74850%0.502SS*.  trans-79.4121.6164.8-74.9-171.5172.100108.4W606 A610W606-E608 PolarHBondContact O-N 2.91Å; E608-A610 PolarHBondContact O-N 2.9Å
609S33.7Very low50.4Low105 Ų10588.5 Ų88.573%0.73452%0.517SS*.  trans-73.551.2178.534.80000112.1A611S609-A611 PolarHBondContact O-N 3.49Å
610A32.6Very low47.7Very low90 Ų9095.1 Ų95.174%0.74456%0.557SS**  trans-81.38.3173.300000113.3E608E608-A610 PolarHBondContact O-N 2.9Å
611A31.6Very low45.2Very low98 Ų98101.9 Ų101.981%0.8158%0.584SS**THydrogen-bonded Turntrans-93.923.5177.600000114.2S609S609-A611 PolarHBondContact O-N 3.49Å
612L34.4Very low42.8Very low126 Ų126109.5 Ų109.566%0.6661%0.614SS**THydrogen-bonded Turntrans-101.1-4.5179-102.5145.3000115.1
613N32.8Very low40.7Very low155 Ų155113.7 Ų113.783%0.82964%0.638SS**SBendtrans-110.27.6-176.2-75.7-10.2000116
614Q33.4Very low38.5Very low185 Ų185119 Ų11986%0.86468%0.675SS**  trans-95.3101.3166.7-72.3-1706.400110T616Q614-T616 PolarHBondContact O-N 2.95Å
615T38.2Very low36.9Very low136 Ų136124.9 Ų124.983%0.83471%0.71SS**  trans-72.4105.9172.9-57.80000108.9
616T32.4Very low35.3Very low134 Ų134127.6 Ų127.682%0.82273%0.734SS**  trans-131.6120.9155.644.80000109.8Q614Q614-T616 PolarHBondContact O-N 2.95Å
617Q32.1Very low33.9Very low178 Ų178130.5 Ų130.583%0.83276%0.759SS**  trans-31.2137.2-172.2-76.4174.8-11.700120.7
618V36.5Very low33.4Very low126 Ų126134.4 Ų134.476%0.76478%0.777SS**  72.6117.6129.3-172.30000120.2
619S37.3Very low33.3Very low103 Ų103130.8 Ų130.872%0.7278%0.775SS**  trans68.881.115465.10000119.6
620V32.3Very low34.1Very low141 Ų141130.3 Ų130.386%0.85578%0.777SS**SBendtrans-147138.2130.3-167.30000106.7K622V620-K622 PolarHBondContact O-N 2.85Å; V620-K622 VanDerWaalsContact O-N 3.09Å
621E29.6Very low36Very low189 Ų189131.2 Ų131.288%0.88376%0.761SS**  trans-50.5116.5175.9-77.5178.2150.300110.3V623E621-V623 PolarHBondContact O-N 2.82Å
622K27.2Very low38.5Very low170 Ų170131.7 Ų131.774%0.73975%0.747SS**  trans-65.3103.5170.1-75.6-177.9176.7-1780107.4V620 C624V620-K622 PolarHBondContact O-N 2.85Å; V620-K622 VanDerWaalsContact O-N 3.09Å; K622-C624 VanDerWaalsContact C-N 3.27Å; K622-C624 PolarHBondContact O-N 3.22Å
623V26.8Very low41.1Very low127 Ų127126.2 Ų126.277%0.7772%0.717SS**  trans-63.1101.5153.6178.20000105.5E621 V625E621-V623 PolarHBondContact O-N 2.82Å; V623-V625 VanDerWaalsContact C-N 3.3Å; V623-V625 HydrophobicContact CG1-CG2 4.46Å; V623-V625 PolarHBondContact O-N 3.45Å
624C26.4Very low44Very low116 Ų116120.9 Ų120.978%0.78469%0.691SS**  trans-60.697.4165.3-61.20000106.9K622 A626K622-C624 VanDerWaalsContact C-N 3.27Å; K622-C624 PolarHBondContact O-N 3.22Å; C624-A626 VanDerWaalsContact C-N 3.33Å; C624-A626 PolarHBondContact O-N 2.79Å
625V30.3Very low46.9Very low125 Ų125112.1 Ų112.176%0.75865%0.65SS**  trans-69.1103.1162.6-177.30000105.4V623 S627V623-V625 VanDerWaalsContact C-N 3.3Å; V623-V625 HydrophobicContact CG1-CG2 4.46Å; V623-V625 PolarHBondContact O-N 3.45Å; V625-S627 PolarHBondContact O-N 3.27Å
626A31.9Very low49.6Very low80 Ų80107.3 Ų107.366%0.66162%0.619SS**  trans-44.1124.1170.400000109.3C624C624-A626 VanDerWaalsContact C-N 3.33Å; C624-A626 PolarHBondContact O-N 2.79Å
627S35.6Very low52.7Low92 Ų92100.9 Ų100.964%0.64358%0.58SS**SBend72.3108.7105.1-172.90000113V625 A629V625-S627 PolarHBondContact O-N 3.27Å; S627-A629 PolarHBondContact O-N 3.23Å
628E41.1Very low55.8Low187 Ų18792.6 Ų92.687%0.87454%0.541SS*.  trans35.957.8139.5-60.8178162.200116.1A630E628-A630 PolarHBondContact O-N 3.2Å
629A42.4Very low58.7Low83 Ų8386.6 Ų86.669%0.68651%0.505SS*.  trans-60.7112.315900000106.1S627 R631S627-A629 PolarHBondContact O-N 3.23Å; A629-R631 PolarHBondContact O-N 2.64Å
630A52Low61.4Low95 Ų9584 Ų8479%0.78548%0.482SS*.  trans-49107.1-176.400000109.7E628 E632E628-A630 PolarHBondContact O-N 3.2Å; A630-E632 PolarHBondContact O-N 3Å; A630-E632 VanDerWaalsContact O-N 3.1Å
631R72.4Confident64.4Low110 Ų11077.6 Ų77.642%0.41544%0.442SS..  trans-71103.4176.9-67.8175.1177.9178.3-1.7106.9W606 Q607 A629W606-R631 VanDerWaalsContact CB-CZ 3.45Å; W606-R631 HydrophobicContact CD2-CB 4.34Å; W606-R631 HydrophobicContact CD2-CG 4.13Å; W606-R631 HydrophobicContact CE3-CB 3.99Å; W606-R631 HydrophobicContact CE3-CG 3.57Å; W606-R631 HydrophobicContact CH2-CB 3.78Å; W606-R631 HydrophobicContact CH2-CG 4.27Å; W606-R631 HydrophobicContact CZ2-CB 4.15Å; W606-R631 HydrophobicContact CZ3-CB 3.67Å; W606-R631 HydrophobicContact CZ3-CG 3.64Å; Q607-R631 PolarHBondContact O-NH2 3.43Å; A629-R631 PolarHBondContact O-N 2.64Å
632E83.7Confident67.4Low107 Ų10769 Ų6950%0.540%0.403SS..EExtended strand (participates in β ladder)trans-83.7120.7-177.9-170174.7179.700109.5Q475 A476 V477 H478 A630Q475-E632 PolarHBondContact O-N 3.29Å; A476-E632 CarbonylContact C-O 3.52Å; A476-E632 VanDerWaalsContact CA-O 3.31Å; A476-E632 WeakPolarHBondContact CA-O 3.43Å; A476-E632 HydrophobicContact CB-CB 3.96Å; V477-E632 PolarHBondContact N-O 2.77Å; H478-E632 IonicContact CE1-OE1 3.61Å; A630-E632 PolarHBondContact O-N 3Å; A630-E632 VanDerWaalsContact O-N 3.1Å
633F89.3Confident70.5Confident11 Ų1163 Ų635%0.04838%0.377CS..EExtended strand (participates in β ladder)trans-124.4127.3173.7172.3-115.7000109.6V477 V479 L635 H653 V668 M674V477-F633 HydrophobicContact CB-CD2 4.33Å; V477-F633 HydrophobicContact CG1-CD2 4.45Å; V477-F633 WeakPolarHBondContact O-CA 3.16Å; V479-F633 HydrophobicContact CG2-CE2 4.26Å; F633-L635 HydrophobicContact CE1-CB 4.29Å; F633-L635 HydrophobicContact CE2-CB 4.12Å; F633-L635 HydrophobicContact CE2-CD1 4.44Å; F633-L635 HydrophobicContact CZ-CB 3.68Å; F633-L635 HydrophobicContact CZ-CD1 3.91Å; F633-L635 HydrophobicContact CZ-CG 4.45Å; F633-H653 AromaticContact CE1-CD2 4Å; F633-H653 AromaticContact CE1-NE2 3.75Å; F633-V668 HydrophobicContact CD1-CG1 4.39Å; F633-V668 HydrophobicContact CE1-CG1 4.13Å; F633-V668 HydrophobicContact CE1-CG2 4.26Å; F633-M674 HydrophobicContact CD1-CB 4.42Å; F633-M674 HydrophobicContact CD2-CB 4Å; F633-M674 HydrophobicContact CE1-CB 4.47Å; F633-M674 HydrophobicContact CE1-SD 4.37Å; F633-M674 HydrophobicContact CE2-CB 4.07Å; F633-M674 HydrophobicContact CE2-CG 4.38Å; F633-M674 HydrophobicContact CE2-SD 3.93Å; F633-M674 HydrophobicContact CG-CB 4.17Å; F633-M674 HydrophobicContact CZ-CB 4.3Å; F633-M674 HydrophobicContact CZ-SD 3.69Å
634T92.8Very high73.7Confident44 Ų4461.7 Ų61.727%0.2736%0.362SS..EExtended strand (participates in β ladder)trans-134.5143.1171.463.40000109.5V477 H478 V479V477-T634 PolarHBondContact O-N 3Å; H478-T634 WeakPolarHBondContact CA-O 3.45Å; H478-T634 WeakPolarHBondContact CB-OG1 3.38Å; H478-T634 PolarHBondContact ND1-OG1 3.33Å; V479-T634 PolarHBondContact N-O 3.19Å
635L93.9Very high77Confident1 Ų156.3 Ų56.31%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-145.8122178.1179152.4000109V479 L599 F633 I637 S667 V668 F679V479-L635 HydrophobicContact CB-CB 4.15Å; V479-L635 HydrophobicContact CB-CD1 4.11Å; V479-L635 HydrophobicContact CB-CG 4.03Å; V479-L635 HydrophobicContact CG1-CD1 4.11Å; V479-L635 HydrophobicContact CG1-CG 4.21Å; V479-L635 WeakPolarHBondContact O-CA 3.33Å; L599-L635 HydrophobicContact CD2-CD1 4.25Å; F633-L635 HydrophobicContact CE1-CB 4.29Å; F633-L635 HydrophobicContact CE2-CB 4.12Å; F633-L635 HydrophobicContact CE2-CD1 4.44Å; F633-L635 HydrophobicContact CZ-CB 3.68Å; F633-L635 HydrophobicContact CZ-CD1 3.91Å; F633-L635 HydrophobicContact CZ-CG 4.45Å; L635-I637 HydrophobicContact CD2-CD1 3.46Å; L635-I637 VanDerWaalsContact CD2-CD1 3.46Å; L635-I637 HydrophobicContact CD2-CG1 3.52Å; L635-I637 HydrophobicContact CG-CG1 4.41Å; L635-S667 WeakPolarHBondContact O-CA 3.24Å; L635-V668 HydrophobicContact CB-CB 4.44Å; L635-V668 HydrophobicContact CB-CG2 3.85Å; L635-V668 HydrophobicContact CD2-CG2 3.93Å; L635-V668 HydrophobicContact CG-CG2 4.45Å; L635-V668 PolarHBondContact O-N 3.28Å; L635-F679 HydrophobicContact CD1-CB 4Å; L635-F679 HydrophobicContact CD1-CD1 4.07Å; L635-F679 HydrophobicContact CD1-CD2 3.88Å; L635-F679 HydrophobicContact CD1-CE2 4.4Å; L635-F679 HydrophobicContact CD1-CG 3.7Å; L635-F679 HydrophobicContact CD2-CD1 4.45Å; L635-F679 HydrophobicContact CD2-CD2 4.1Å; L635-F679 HydrophobicContact CD2-CE1 4.17Å; L635-F679 HydrophobicContact CD2-CE2 3.78Å; L635-F679 HydrophobicContact CD2-CG 4.43Å; L635-F679 HydrophobicContact CD2-CZ 3.82Å
636D96.1Very high80Confident34 Ų3453.4 Ų53.418%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-120.8128.1174-59-51.6000109.3V479 K480 C481 V666 S667 V1050V479-D636 PolarHBondContact O-N 2.75Å; K480-D636 HydrophobicContact CD-CB 4.12Å; K480-D636 IonicContact NZ-OD2 3.61Å; K480-D636 PolarHBondContact NZ-OD2 2.89Å; C481-D636 PolarHBondContact N-O 3.43Å; D636-V666 CarbonylContact C-O 3.49Å; D636-V666 WeakPolarHBondContact CA-O 3.3Å; D636-S667 WeakPolarHBondContact OD1-CB 3.4Å; D636-S667 PolarHBondContact OD1-OG 2.98Å; D636-V1050 HydrophobicContact CB-CG2 3.49Å; D636-V1050 VanDerWaalsContact CB-CG2 3.49Å
637I97.1Very high82.9Confident0 Ų051.5 Ų51.50%029%0.293CS..EExtended strand (participates in β ladder)trans-120.8132.6178.8-58.5159.1000109.1C481 L483 F597 L635 V639 V665 V666 F679 M681C481-I637 HydrophobicContact CB-CB 4.29Å; C481-I637 HydrophobicContact CB-CG1 3.78Å; C481-I637 HydrophobicContact CB-CG2 4.26Å; C481-I637 CarbonylContact O-C 3.6Å; C481-I637 WeakPolarHBondContact O-CA 3.36Å; L483-I637 HydrophobicContact CD1-CG2 3.83Å; L483-I637 HydrophobicContact CG-CG2 3.73Å; F597-I637 HydrophobicContact CD1-CD1 4.21Å; F597-I637 HydrophobicContact CE1-CD1 4.09Å; L635-I637 HydrophobicContact CD2-CD1 3.46Å; L635-I637 VanDerWaalsContact CD2-CD1 3.46Å; L635-I637 HydrophobicContact CD2-CG1 3.52Å; L635-I637 HydrophobicContact CG-CG1 4.41Å; I637-V639 HydrophobicContact CG2-CG2 3.8Å; I637-V665 CarbonylContact O-C 3.53Å; I637-V665 VanDerWaalsContact O-CA 3.28Å; I637-V665 WeakPolarHBondContact O-CA 3.12Å; I637-V666 HydrophobicContact CB-CB 4.29Å; I637-V666 PolarHBondContact N-O 3.43Å; I637-V666 PolarHBondContact O-N 3.43Å; I637-F679 HydrophobicContact CD1-CD1 4.25Å; I637-F679 HydrophobicContact CD1-CE1 3.33Å; I637-F679 HydrophobicContact CD1-CZ 3.58Å; I637-M681 HydrophobicContact CD1-CE 3.99Å; I637-M681 HydrophobicContact CD1-SD 4.25Å; I637-M681 HydrophobicContact CG2-CE 4.15Å
638S97Very high85.7Confident4 Ų447.3 Ų47.33%0.02826%0.264CS..EExtended strand (participates in β ladder)trans-103138.3164.2680000109.7C481 K482 L483 V1050C481-S638 PolarHBondContact O-N 3.44Å; C481-S638 PolarHBondContact O-OG 2.95Å; K482-S638 WeakPolarHBondContact CA-OG 3.32Å; K482-S638 WeakPolarHBondContact CG-OG 3.32Å; L483-S638 PolarHBondContact N-O 3.5Å; S638-V1050 WeakPolarHBondContact CB-O 3.24Å
639V96.8Very high88.2Confident0 Ų041.7 Ų41.70%024%0.242CC..EExtended strand (participates in β ladder)trans-127.7119.9-173.9-174.10000108.6L483 I637 M641 I645 L648 K663 A664 M681 V683L483-V639 HydrophobicContact CB-CG2 4.47Å; L483-V639 HydrophobicContact CD1-CG2 4.24Å; L483-V639 CarbonylContact O-C 3.42Å; L483-V639 WeakPolarHBondContact O-CA 3.39Å; I637-V639 HydrophobicContact CG2-CG2 3.8Å; V639-M641 HydrophobicContact CG1-CE 3.55Å; V639-M641 HydrophobicContact CG1-CG 3.97Å; V639-I645 HydrophobicContact CG1-CD1 4.43Å; V639-L648 HydrophobicContact CG2-CD1 4.34Å; V639-K663 CarbonylContact O-C 3.52Å; V639-K663 WeakPolarHBondContact O-CA 3.4Å; V639-A664 HydrophobicContact CB-CB 4.18Å; V639-A664 PolarHBondContact N-O 3.08Å; V639-A664 PolarHBondContact O-N 3.29Å; V639-M681 HydrophobicContact CG2-CE 4.02Å; V639-V683 HydrophobicContact CG1-CG2 4.44Å
640E95.3Very high90.6Very high49 Ų4938.8 Ų38.823%0.22922%0.216CC..EExtended strand (participates in β ladder)trans-122.1121.6174.4-61.9-167.4-105.200109.5L483 M484 D485 K663 W694 F1052L483-E640 PolarHBondContact O-N 2.89Å; M484-E640 CarbonylContact C-O 3.56Å; M484-E640 WeakPolarHBondContact CA-O 3.49Å; D485-E640 PolarHBondContact N-O 3.29Å; E640-K663 HydrophobicContact CG-CD 4.33Å; E640-K663 HydrophobicContact CG-CG 4.48Å; E640-K663 WeakPolarHBondContact OE2-CE 3.33Å; E640-K663 IonicContact OE2-NZ 2.65Å; E640-K663 PolarHBondContact OE2-NZ 3.23Å; E640-W694 HydrophobicContact CB-CH2 4.45Å; E640-F1052 HydrophobicContact CG-CE1 3.64Å; E640-F1052 HydrophobicContact CG-CZ 3.84Å
641M94.6Very high92.4Very high5 Ų538.8 Ų38.83%0.02520%0.202CC..  trans-121.6150.3-174.9-68.6-66.715900110.8I595 V639 F643 I645 C662 V683 L685I595-M641 HydrophobicContact CD1-CE 4.2Å; I595-M641 HydrophobicContact CD1-SD 3.84Å; V639-M641 HydrophobicContact CG1-CE 3.55Å; V639-M641 HydrophobicContact CG1-CG 3.97Å; M641-F643 VanDerWaalsContact C-N 3.3Å; M641-F643 PolarHBondContact O-N 2.94Å; M641-I645 HydrophobicContact CB-CD1 4.47Å; M641-I645 HydrophobicContact CB-CG1 4Å; M641-I645 HydrophobicContact CG-CD1 4.18Å; M641-I645 HydrophobicContact CG-CG1 3.92Å; M641-C662 PolarHBondContact N-O 3.08Å; M641-C662 WeakPolarHBondContact O-CB 3.48Å; M641-V683 HydrophobicContact CE-CB 4.37Å; M641-V683 HydrophobicContact CE-CG1 4.1Å; M641-V683 HydrophobicContact CE-CG2 4.43Å; M641-V683 HydrophobicContact CG-CG1 4.25Å; M641-V683 HydrophobicContact SD-CG1 4.39Å; M641-L685 HydrophobicContact CB-CD2 3.73Å; M641-L685 HydrophobicContact CG-CD2 3.75Å; M641-L685 HydrophobicContact SD-CD1 4.35Å; M641-L685 HydrophobicContact SD-CD2 3.92Å
642P92.9Very high93.3Very high10 Ų1035.9 Ų35.97%0.06520%0.197CC..SBendtrans-75-23.2-177.829.4-34.8000112.7L685 W694 Q965P642-L685 HydrophobicContact CG-CD1 4.19Å; P642-W694 HydrophobicContact CB-CZ2 4.19Å; P642-Q965 HydrophobicContact CB-CG 4.48Å
643F92.2Very high93.7Very high43 Ų4331.7 Ų31.719%0.18918%0.177CC..SBendtrans-131.4171-178.3-57.8-62.3000110.5M641 I645 C662 D687 L690 R692M641-F643 VanDerWaalsContact C-N 3.3Å; M641-F643 PolarHBondContact O-N 2.94Å; F643-I645 PolarHBondContact O-N 3.35Å; F643-C662 VanDerWaalsContact C-SG 3.52Å; F643-D687 HydrophobicContact CB-CB 4.43Å; F643-D687 HydrophobicContact CD1-CB 4.22Å; F643-D687 HydrophobicContact CD2-CB 3.98Å; F643-D687 VanDerWaalsContact CD2-O 3.25Å; F643-D687 WeakPolarHBondContact CD2-O 3.48Å; F643-D687 HydrophobicContact CE2-CB 4.26Å; F643-D687 VanDerWaalsContact CE2-O 3.23Å; F643-D687 WeakPolarHBondContact CE2-O 3.43Å; F643-D687 HydrophobicContact CG-CB 3.96Å; F643-L690 HydrophobicContact CE1-CD1 4.28Å; F643-L690 HydrophobicContact CE2-CB 3.87Å; F643-L690 HydrophobicContact CZ-CB 3.66Å; F643-L690 HydrophobicContact CZ-CD1 4.11Å; F643-R692 HydrophobicContact CE2-CB 4.49Å; F643-R692 HydrophobicContact CZ-CB 4.49Å
644Q94.5Very high93.9Very high99 Ų9936.4 Ų36.446%0.46320%0.199SC..  trans-58.7127.2179.5-174.4-179.929.400110.1S646 D661 S686Q644-S646 PolarHBondContact O-N 3.23Å; Q644-D661 CarbonylContact C-O 3.57Å; Q644-D661 WeakPolarHBondContact CA-O 3.42Å; Q644-D661 HydrophobicContact CG-CB 4.09Å; Q644-D661 PolarHBondContact NE2-OD1 3.12Å; Q644-S686 WeakPolarHBondContact CB-OG 3.25Å; Q644-S686 PolarHBondContact N-OG 3.43Å; Q644-S686 PolarHBondContact O-N 2.61Å; Q644-S686 PolarHBondContact O-OG 2.95Å
645I95.3Very high93.9Very high3 Ų334.9 Ų34.92%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-67.8116.6171.1-58.6169.5000106.2V639 M641 F643 S647 L648 R659 D661 A664 V683 L685V639-I645 HydrophobicContact CG1-CD1 4.43Å; M641-I645 HydrophobicContact CB-CD1 4.47Å; M641-I645 HydrophobicContact CB-CG1 4Å; M641-I645 HydrophobicContact CG-CD1 4.18Å; M641-I645 HydrophobicContact CG-CG1 3.92Å; F643-I645 PolarHBondContact O-N 3.35Å; I645-S647 WeakPolarHBondContact CG2-O 3.45Å; I645-L648 HydrophobicContact CG2-CB 4.11Å; I645-R659 VanDerWaalsContact C-NH2 3.33Å; I645-R659 PolarHBondContact O-NH2 2.92Å; I645-D661 WeakPolarHBondContact CB-O 3.31Å; I645-D661 WeakPolarHBondContact CG1-O 3.05Å; I645-D661 PolarHBondContact N-O 2.82Å; I645-A664 HydrophobicContact CD1-CB 4.35Å; I645-V683 HydrophobicContact CG1-CG1 4.45Å; I645-V683 HydrophobicContact CG2-CG1 4Å; I645-L685 HydrophobicContact CG1-CD2 4.45Å
646S93.4Very high93.9Very high65 Ų6537.3 Ų37.346%0.45520%0.2SC..EExtended strand (participates in β ladder)trans-82-47.9174.3-60.50000110Q644 R659 T684 S686Q644-S646 PolarHBondContact O-N 3.23Å; S646-R659 VanDerWaalsContact C-NH2 3.28Å; S646-R659 PolarHBondContact O-NH2 3.02Å; S646-T684 PolarHBondContact N-O 3.31Å; S646-S686 WeakPolarHBondContact OG-CA 3.26Å; S646-S686 PolarHBondContact OG-N 2.94Å; S646-S686 VanDerWaalsContact OG-N 3.17Å
647S92.8Very high93.9Very high40 Ų4036.2 Ų36.228%0.2820%0.195SC..EExtended strand (participates in β ladder)trans-136.2143.9-178.7105.70000111I645 V683 T684I645-S647 WeakPolarHBondContact CG2-O 3.45Å; S647-V683 WeakPolarHBondContact O-CA 3.38Å; S647-T684 PolarHBondContact N-O 3.07Å; S647-T684 PolarHBondContact O-N 3.17Å; S647-T684 WeakPolarHBondContact OG-CB 3.48Å; S647-T684 PolarHBondContact OG-OG1 3.24Å
648L94.3Very high93.7Very high4 Ų436.6 Ų36.62%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-142.9112.5173.5-173.1150.4000107.7V639 I645 I657 A664 V666 M681 S682 V683V639-L648 HydrophobicContact CG2-CD1 4.34Å; I645-L648 HydrophobicContact CG2-CB 4.11Å; L648-I657 HydrophobicContact CD2-CD1 3.7Å; L648-I657 HydrophobicContact CD2-CG1 4.26Å; L648-I657 HydrophobicContact CD2-CG2 4.34Å; L648-A664 HydrophobicContact CD1-CB 3.74Å; L648-V666 HydrophobicContact CD1-CG2 4.27Å; L648-V666 HydrophobicContact CD2-CG2 3.77Å; L648-M681 HydrophobicContact CD2-SD 4.08Å; L648-M681 HydrophobicContact CG-SD 4.33Å; L648-S682 WeakPolarHBondContact CA-O 3.49Å; L648-V683 HydrophobicContact CD1-CG2 4.38Å; L648-V683 HydrophobicContact CG-CG2 4.43Å
649T92.8Very high93.4Very high69 Ų6941 Ų4142%0.42321%0.212SC..EExtended strand (participates in β ladder)trans-133.9124.7-171-52.50000109.9M681 S682T649-M681 CarbonylContact O-C 3.58Å; T649-M681 WeakPolarHBondContact O-CA 3.44Å; T649-M681 WeakPolarHBondContact O-CG 3.47Å; T649-S682 PolarHBondContact N-O 3.2Å; T649-S682 PolarHBondContact O-N 3.05Å
650C93.2Very high93.2Very high22 Ų2244.1 Ų44.115%0.14923%0.228CC..EExtended strand (participates in β ladder)trans-86.7131.7165.8-174.20000108.5H653 V655 F679 Q680C650-H653 PolarHBondContact SG-N 3.27Å; C650-H653 PolarHBondContact SG-O 2.52Å; C650-H653 VanDerWaalsContact SG-O 3.36Å; C650-V655 HydrophobicContact CB-CG1 3.89Å; C650-V655 HydrophobicContact CB-CG2 3.75Å; C650-F679 WeakPolarHBondContact SG-CE2 3.44Å; C650-Q680 PolarHBondContact SG-O 2.76Å; C650-Q680 VanDerWaalsContact SG-O 3.38Å
651I90.9Very high93Very high94 Ų9446.7 Ų46.748%0.48224%0.243SC..SBendtrans-92.4-37.5-172.8-59.2164.3000110.5L596 Q680L596-I651 HydrophobicContact CD2-CD1 4.49Å; I651-Q680 HydrophobicContact CB-CB 4.15Å; I651-Q680 HydrophobicContact CD1-CB 4.27Å; I651-Q680 PolarHBondContact N-O 2.88Å
652T90.6Very high93Very high50 Ų5047.7 Ų47.731%0.30725%0.25SS..SBendtrans-104.9-19.5-170.456.40000115.2G678 F679 Q680T652-G678 WeakPolarHBondContact CB-O 3.42Å; T652-G678 PolarHBondContact OG1-O 3.32Å; T652-F679 WeakPolarHBondContact OG1-CA 3.48Å; T652-Q680 HydrophobicContact CG2-CB 3.99Å; T652-Q680 HydrophobicContact CG2-CG 4.03Å; T652-Q680 PolarHBondContact OG1-N 3.18Å
653H91.9Very high93.1Very high19 Ų1949.9 Ų49.99%0.08826%0.259CS..SBendtrans-131.5154.7-172.8-67.673.7000112.8F633 C650 V655 V668 V673 G678 F679F633-H653 AromaticContact CE1-CD2 4Å; F633-H653 AromaticContact CE1-NE2 3.75Å; C650-H653 PolarHBondContact SG-N 3.27Å; C650-H653 PolarHBondContact SG-O 2.52Å; C650-H653 VanDerWaalsContact SG-O 3.36Å; H653-V655 HydrophobicContact CB-CG1 4.44Å; H653-V668 HydrophobicContact CB-CG2 4.37Å; H653-V673 PolarHBondContact NE2-O 2.67Å; H653-G678 PolarHBondContact CE1-O 3Å; H653-G678 VanDerWaalsContact CE1-O 3.29Å; H653-F679 HydrophobicContact CB-CD2 4.23Å; H653-F679 HydrophobicContact CB-CE2 4.17Å; H653-F679 AromaticContact CG-CD2 3.9Å; H653-F679 AromaticContact ND1-CD2 3.53Å
654Q92.5Very high93.3Very high110 Ų11047.9 Ų47.951%0.51425%0.25SC..  trans-80.2128.2165.6-61.5-167.618.700110.5L669Q654-L669 HydrophobicContact CB-CD1 3.82Å; Q654-L669 HydrophobicContact CB-CG 4.36Å; Q654-L669 PolarHBondContact O-N 3.44Å
655V94.3Very high93.4Very high12 Ų1243.2 Ų43.27%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-130.6150.3-173.7-620000111.6C650 H653 I657 V666 S667 V668 F679 P1061C650-V655 HydrophobicContact CB-CG1 3.89Å; C650-V655 HydrophobicContact CB-CG2 3.75Å; H653-V655 HydrophobicContact CB-CG1 4.44Å; V655-I657 HydrophobicContact CG2-CD1 3.93Å; V655-I657 HydrophobicContact CG2-CG1 3.89Å; V655-V666 HydrophobicContact CB-CG1 3.71Å; V655-V666 HydrophobicContact CG1-CG1 3.85Å; V655-V666 HydrophobicContact CG2-CG1 3.91Å; V655-S667 CarbonylContact C-O 3.53Å; V655-S667 VanDerWaalsContact CA-O 3.31Å; V655-S667 WeakPolarHBondContact CA-O 3.44Å; V655-V668 HydrophobicContact CG1-CG2 4.14Å; V655-F679 HydrophobicContact CG1-CE2 4.24Å; V655-P1061 WeakPolarHBondContact O-CG 3.21Å
656K94.1Very high93.4Very high51 Ų5143.1 Ų43.122%0.22223%0.227CC..EExtended strand (participates in β ladder)trans-96.4143.3161.755.4178.9-172.4-173.40108.9S667 L669 W1058 T1059 L1060K656-S667 VanDerWaalsContact CE-OG 3.27Å; K656-S667 WeakPolarHBondContact CE-OG 3.33Å; K656-S667 WeakPolarHBondContact CG-O 3.32Å; K656-S667 PolarHBondContact N-O 2.87Å; K656-S667 PolarHBondContact O-N 2.99Å; K656-L669 HydrophobicContact CB-CD2 4.05Å; K656-L669 HydrophobicContact CD-CD2 4.41Å; K656-L669 HydrophobicContact CG-CD2 4.18Å; K656-W1058 VanDerWaalsContact C-CE3 3.49Å; K656-W1058 HydrophobicContact CB-CB 4.3Å; K656-W1058 HydrophobicContact CB-CD2 4.11Å; K656-W1058 HydrophobicContact CB-CE3 3.61Å; K656-W1058 HydrophobicContact CB-CG 4.43Å; K656-W1058 HydrophobicContact CB-CZ3 4.25Å; K656-W1058 HydrophobicContact CD-CB 4.44Å; K656-W1058 HydrophobicContact CD-CD2 3.53Å; K656-W1058 HydrophobicContact CD-CE3 3.73Å; K656-W1058 HydrophobicContact CD-CG 3.87Å; K656-W1058 HydrophobicContact CD-CH2 4.44Å; K656-W1058 HydrophobicContact CD-CZ2 4.29Å; K656-W1058 HydrophobicContact CD-CZ3 4.18Å; K656-W1058 HydrophobicContact CG-CD2 3.79Å; K656-W1058 HydrophobicContact CG-CE3 3.4Å; K656-W1058 VanDerWaalsContact CG-CE3 3.4Å; K656-W1058 HydrophobicContact CG-CG 4.42Å; K656-W1058 HydrophobicContact CG-CH2 4.29Å; K656-W1058 HydrophobicContact CG-CZ3 3.69Å; K656-W1058 VanDerWaalsContact O-CZ3 3.26Å; K656-W1058 WeakPolarHBondContact O-CZ3 3.45Å; K656-T1059 WeakPolarHBondContact CA-O 3.45Å; K656-L1060 HydrophobicContact CB-CD2 4.14Å
657I94.4Very high93.5Very high12 Ų1240.5 Ų40.56%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-131.8133.4-173.9-56.4164.3000110.6L648 V655 R659 V665 V666 T1059L648-I657 HydrophobicContact CD2-CD1 3.7Å; L648-I657 HydrophobicContact CD2-CG1 4.26Å; L648-I657 HydrophobicContact CD2-CG2 4.34Å; V655-I657 HydrophobicContact CG2-CD1 3.93Å; V655-I657 HydrophobicContact CG2-CG1 3.89Å; I657-R659 HydrophobicContact CG2-CB 4.2Å; I657-V665 CarbonylContact C-O 3.6Å; I657-V665 WeakPolarHBondContact CA-O 3.44Å; I657-V666 HydrophobicContact CG1-CG1 4.27Å; I657-V666 HydrophobicContact CG1-CG2 4.31Å; I657-V666 HydrophobicContact CG2-CG2 4.42Å; I657-T1059 PolarHBondContact N-O 2.86Å; I657-T1059 VanDerWaalsContact N-O 3.09Å; I657-T1059 WeakPolarHBondContact O-CB 3.46Å; I657-T1059 PolarHBondContact O-N 3.26Å; I657-T1059 PolarHBondContact O-OG1 3.32Å
658K94.3Very high93.6Very high8 Ų839.1 Ų39.14%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-102.7133.2160.1-57.6178.6177.9-173.20108A664 V665 D1051 L1053 I1056 W1058K658-A664 CarbonylContact O-C 3.58Å; K658-A664 WeakPolarHBondContact O-CA 3.42Å; K658-A664 WeakPolarHBondContact O-CB 3.38Å; K658-V665 HydrophobicContact CB-CB 4.25Å; K658-V665 HydrophobicContact CD-CB 4.39Å; K658-V665 PolarHBondContact N-O 2.98Å; K658-V665 PolarHBondContact O-N 3.26Å; K658-D1051 VanDerWaalsContact NZ-CG 3.31Å; K658-D1051 IonicContact NZ-OD1 3.19Å; K658-D1051 PolarHBondContact NZ-OD1 3.12Å; K658-D1051 IonicContact NZ-OD2 2.62Å; K658-D1051 PolarHBondContact NZ-OD2 2.99Å; K658-L1053 HydrophobicContact CB-CB 4.36Å; K658-L1053 HydrophobicContact CB-CD1 4.13Å; K658-L1053 HydrophobicContact CD-CB 4.04Å; K658-L1053 VanDerWaalsContact CD-O 3.29Å; K658-L1053 WeakPolarHBondContact CD-O 3.25Å; K658-L1053 PolarHBondContact NZ-O 2.92Å; K658-I1056 HydrophobicContact CB-CB 4.26Å; K658-I1056 HydrophobicContact CB-CG2 4.01Å; K658-I1056 HydrophobicContact CD-CB 4.45Å; K658-I1056 WeakPolarHBondContact CD-O 3.41Å; K658-I1056 WeakPolarHBondContact CE-O 3.47Å; K658-I1056 HydrophobicContact CG-CG2 4.4Å; K658-I1056 PolarHBondContact NZ-O 2.97Å; K658-W1058 HydrophobicContact CD-CD2 4.35Å; K658-W1058 HydrophobicContact CD-CE3 4.44Å; K658-W1058 HydrophobicContact CD-CH2 4.4Å; K658-W1058 HydrophobicContact CD-CZ2 4.29Å; K658-W1058 HydrophobicContact CD-CZ3 4.47Å; K658-W1058 HydrophobicContact CG-CD2 3.83Å; K658-W1058 HydrophobicContact CG-CE3 3.63Å; K658-W1058 HydrophobicContact CG-CG 4.44Å; K658-W1058 HydrophobicContact CG-CH2 4.3Å; K658-W1058 HydrophobicContact CG-CZ2 4.46Å; K658-W1058 HydrophobicContact CG-CZ3 3.88Å
659R91.4Very high93.5Very high97 Ų9740.4 Ų40.437%0.36621%0.206SC..EExtended strand (participates in β ladder)trans-143.5138.1-174.3-176.8168.3171.3-173.7-10.8112.7I645 S646 I657 A664I645-R659 VanDerWaalsContact C-NH2 3.33Å; I645-R659 PolarHBondContact O-NH2 2.92Å; S646-R659 VanDerWaalsContact C-NH2 3.28Å; S646-R659 PolarHBondContact O-NH2 3.02Å; I657-R659 HydrophobicContact CG2-CB 4.2Å; R659-A664 HydrophobicContact CB-CB 4.42Å; R659-A664 HydrophobicContact CG-CB 4.45Å
660M91.4Very high93.3Very high65 Ų6542.9 Ų42.932%0.3222%0.223SC..  trans-118.3-172.4162.7-56.9-162.8-51.400108.7K663 L1053 Y1055 I1056M660-K663 HydrophobicContact CE-CB 3.93Å; M660-K663 HydrophobicContact CE-CD 3.99Å; M660-K663 HydrophobicContact CE-CG 3.99Å; M660-K663 PolarHBondContact N-O 3.47Å; M660-L1053 HydrophobicContact CE-CD2 3.79Å; M660-L1053 HydrophobicContact CG-CD1 4.37Å; M660-L1053 HydrophobicContact CG-CD2 4.23Å; M660-L1053 HydrophobicContact SD-CD2 3.9Å; M660-Y1055 HydrophobicContact SD-CE2 4.24Å; M660-I1056 HydrophobicContact CG-CD1 3.31Å; M660-I1056 HydrophobicContact SD-CD1 3.84Å
661D92.1Very high92.8Very high103 Ų10345.5 Ų45.555%0.55125%0.253SS*.SBendtrans-60-54.3179.3-72.5-37.8000112.6Q644 I645Q644-D661 CarbonylContact C-O 3.57Å; Q644-D661 WeakPolarHBondContact CA-O 3.42Å; Q644-D661 HydrophobicContact CG-CB 4.09Å; Q644-D661 PolarHBondContact NE2-OD1 3.12Å; I645-D661 WeakPolarHBondContact CB-O 3.31Å; I645-D661 WeakPolarHBondContact CG1-O 3.05Å; I645-D661 PolarHBondContact N-O 2.82Å
662C92.9Very high92.6Very high26 Ų2643.6 Ų43.618%0.17624%0.243CC..SBendtrans-108.20.8-175-61.70000113.8M641 F643M641-C662 PolarHBondContact N-O 3.08Å; M641-C662 WeakPolarHBondContact O-CB 3.48Å; F643-C662 VanDerWaalsContact C-SG 3.52Å
663K95Very high92.3Very high56 Ų5645.4 Ų45.424%0.24325%0.253CS..EExtended strand (participates in β ladder)trans-135.1145.6-175.8-53.3-160.5-176.2-150.70112.8V639 E640 M660 F1052V639-K663 CarbonylContact O-C 3.52Å; V639-K663 WeakPolarHBondContact O-CA 3.4Å; E640-K663 HydrophobicContact CG-CD 4.33Å; E640-K663 HydrophobicContact CG-CG 4.48Å; E640-K663 WeakPolarHBondContact OE2-CE 3.33Å; E640-K663 IonicContact OE2-NZ 2.65Å; E640-K663 PolarHBondContact OE2-NZ 3.23Å; M660-K663 HydrophobicContact CE-CB 3.93Å; M660-K663 HydrophobicContact CE-CD 3.99Å; M660-K663 HydrophobicContact CE-CG 3.99Å; M660-K663 PolarHBondContact N-O 3.47Å; K663-F1052 HydrophobicContact CB-CE2 3.52Å; K663-F1052 HydrophobicContact CB-CZ 3.72Å; K663-F1052 HydrophobicContact CD-CD2 4.01Å; K663-F1052 HydrophobicContact CD-CE2 3.45Å; K663-F1052 VanDerWaalsContact CD-CE2 3.45Å; K663-F1052 HydrophobicContact CD-CZ 3.85Å; K663-F1052 HydrophobicContact CG-CE2 4.07Å; K663-F1052 HydrophobicContact CG-CZ 4.24Å
664A96.4Very high91.8Very high0 Ų044.7 Ų44.70%025%0.25CS..EExtended strand (participates in β ladder)trans-146.8156.7172.200000112.2V639 I645 L648 K658 R659V639-A664 HydrophobicContact CB-CB 4.18Å; V639-A664 PolarHBondContact N-O 3.08Å; V639-A664 PolarHBondContact O-N 3.29Å; I645-A664 HydrophobicContact CD1-CB 4.35Å; L648-A664 HydrophobicContact CD1-CB 3.74Å; K658-A664 CarbonylContact O-C 3.58Å; K658-A664 WeakPolarHBondContact O-CA 3.42Å; K658-A664 WeakPolarHBondContact O-CB 3.38Å; R659-A664 HydrophobicContact CB-CB 4.42Å; R659-A664 HydrophobicContact CG-CB 4.45Å
665V96.8Very high90.9Very high2 Ų241.3 Ų41.31%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-125.4127.6167.4-178.10000107.5I637 I657 K658 D1051 F1052 L1053 W1058I637-V665 CarbonylContact O-C 3.53Å; I637-V665 VanDerWaalsContact O-CA 3.28Å; I637-V665 WeakPolarHBondContact O-CA 3.12Å; I657-V665 CarbonylContact C-O 3.6Å; I657-V665 WeakPolarHBondContact CA-O 3.44Å; K658-V665 HydrophobicContact CB-CB 4.25Å; K658-V665 HydrophobicContact CD-CB 4.39Å; K658-V665 PolarHBondContact N-O 2.98Å; K658-V665 PolarHBondContact O-N 3.26Å; V665-D1051 HydrophobicContact CG1-CB 4.37Å; V665-F1052 HydrophobicContact CG2-CE2 4.29Å; V665-F1052 HydrophobicContact CG2-CZ 4.37Å; V665-L1053 HydrophobicContact CG2-CB 4.12Å; V665-L1053 HydrophobicContact CG2-CD1 4.02Å; V665-L1053 HydrophobicContact CG2-CG 4Å; V665-W1058 HydrophobicContact CG1-CH2 3.89Å; V665-W1058 WeakPolarHBondContact O-CZ3 3.38Å
666V96.5Very high89.8Confident0 Ų045.4 Ų45.40%027%0.274CS..EExtended strand (participates in β ladder)trans-120.3133.6-176.3-174.80000107.8D636 I637 L648 V655 I657 M681D636-V666 CarbonylContact C-O 3.49Å; D636-V666 WeakPolarHBondContact CA-O 3.3Å; I637-V666 HydrophobicContact CB-CB 4.29Å; I637-V666 PolarHBondContact N-O 3.43Å; I637-V666 PolarHBondContact O-N 3.43Å; L648-V666 HydrophobicContact CD1-CG2 4.27Å; L648-V666 HydrophobicContact CD2-CG2 3.77Å; V655-V666 HydrophobicContact CB-CG1 3.71Å; V655-V666 HydrophobicContact CG1-CG1 3.85Å; V655-V666 HydrophobicContact CG2-CG1 3.91Å; I657-V666 HydrophobicContact CG1-CG1 4.27Å; I657-V666 HydrophobicContact CG1-CG2 4.31Å; I657-V666 HydrophobicContact CG2-CG2 4.42Å; V666-M681 HydrophobicContact CB-SD 4.48Å; V666-M681 HydrophobicContact CG1-SD 4.38Å; V666-M681 HydrophobicContact CG2-SD 3.97Å
667S95.4Very high88.9Confident10 Ų1048.7 Ų48.77%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-137.8134.9178.2179.30000109.4L635 D636 V655 K656 W1058L635-S667 WeakPolarHBondContact O-CA 3.24Å; D636-S667 WeakPolarHBondContact OD1-CB 3.4Å; D636-S667 PolarHBondContact OD1-OG 2.98Å; V655-S667 CarbonylContact C-O 3.53Å; V655-S667 VanDerWaalsContact CA-O 3.31Å; V655-S667 WeakPolarHBondContact CA-O 3.44Å; K656-S667 VanDerWaalsContact CE-OG 3.27Å; K656-S667 WeakPolarHBondContact CE-OG 3.33Å; K656-S667 WeakPolarHBondContact CG-O 3.32Å; K656-S667 PolarHBondContact N-O 2.87Å; K656-S667 PolarHBondContact O-N 2.99Å; S667-W1058 VanDerWaalsContact CB-CH2 3.45Å
668V94.4Very high88.5Confident11 Ų1148.2 Ų48.27%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-68.3141.2177.9173.80000109.8F633 L635 H653 V655 Q672 F679F633-V668 HydrophobicContact CD1-CG1 4.39Å; F633-V668 HydrophobicContact CE1-CG1 4.13Å; F633-V668 HydrophobicContact CE1-CG2 4.26Å; L635-V668 HydrophobicContact CB-CB 4.44Å; L635-V668 HydrophobicContact CB-CG2 3.85Å; L635-V668 HydrophobicContact CD2-CG2 3.93Å; L635-V668 HydrophobicContact CG-CG2 4.45Å; L635-V668 PolarHBondContact O-N 3.28Å; H653-V668 HydrophobicContact CB-CG2 4.37Å; V655-V668 HydrophobicContact CG1-CG2 4.14Å; V668-Q672 HydrophobicContact CG1-CB 3.4Å; V668-Q672 VanDerWaalsContact CG1-CB 3.4Å; V668-Q672 HydrophobicContact CG1-CG 3.62Å; V668-F679 HydrophobicContact CG2-CD2 4.12Å; V668-F679 HydrophobicContact CG2-CE2 3.74Å
669L92.4Very high88.4Confident32 Ų3247.8 Ų47.817%0.16829%0.29CS..PPolyproline II helixtrans-67.2145.7177.6-67.9-178.1000111.4Q654 K656 G671 Q672 L1060 P1061Q654-L669 HydrophobicContact CB-CD1 3.82Å; Q654-L669 HydrophobicContact CB-CG 4.36Å; Q654-L669 PolarHBondContact O-N 3.44Å; K656-L669 HydrophobicContact CB-CD2 4.05Å; K656-L669 HydrophobicContact CD-CD2 4.41Å; K656-L669 HydrophobicContact CG-CD2 4.18Å; L669-G671 PolarHBondContact O-N 3.26Å; L669-Q672 HydrophobicContact CB-CG 4.3Å; L669-Q672 WeakPolarHBondContact O-CG 3.43Å; L669-Q672 PolarHBondContact O-N 2.98Å; L669-L1060 HydrophobicContact CD2-CD2 3.78Å; L669-P1061 HydrophobicContact CD1-CG 4.26Å
670P87.8Confident88.5Confident121 Ų12146.5 Ų46.579%0.78629%0.288SS*.THydrogen-bonded Turntrans-54.7139.6176.3-2534.1000112.5
671G83.4Confident88.6Confident76 Ų7643.4 Ų43.478%0.78427%0.273SS*.THydrogen-bonded Turntrans86.7-3.4177.500000115.5L669L669-G671 PolarHBondContact O-N 3.26Å
672Q86.1Confident88.8Confident54 Ų5439.5 Ų39.525%0.25225%0.253SS..  trans-69.4150.9167.6-62.3-77.4-61.500110.4V668 L669V668-Q672 HydrophobicContact CG1-CB 3.4Å; V668-Q672 VanDerWaalsContact CG1-CB 3.4Å; V668-Q672 HydrophobicContact CG1-CG 3.62Å; L669-Q672 HydrophobicContact CB-CG 4.3Å; L669-Q672 WeakPolarHBondContact O-CG 3.43Å; L669-Q672 PolarHBondContact O-N 2.98Å
673V84.3Confident88.9Confident88 Ų8838.4 Ų38.453%0.53325%0.246SC..  trans-123.2145179.8-65.70000110.4H653 G675H653-V673 PolarHBondContact NE2-O 2.67Å; V673-G675 PolarHBondContact O-N 3.36Å
674M82Confident88.9Confident5 Ų537.5 Ų37.53%0.02525%0.245CC..  trans-75105.4173.1-168.273.8165.300109.2L599 P600 A604 W606 F633 F679L599-M674 HydrophobicContact CB-CE 4.13Å; L599-M674 HydrophobicContact CD2-CE 3.93Å; L599-M674 HydrophobicContact CG-CE 3.92Å; L599-M674 WeakPolarHBondContact O-CE 3.31Å; P600-M674 WeakPolarHBondContact O-CE 3.42Å; A604-M674 HydrophobicContact CB-CB 3.75Å; A604-M674 HydrophobicContact CB-CG 3.69Å; W606-M674 VanDerWaalsContact CD1-O 3.31Å; W606-M674 PolarHBondContact NE1-O 3.1Å; W606-M674 VanDerWaalsContact NE1-O 3.17Å; F633-M674 HydrophobicContact CD1-CB 4.42Å; F633-M674 HydrophobicContact CD2-CB 4Å; F633-M674 HydrophobicContact CE1-CB 4.47Å; F633-M674 HydrophobicContact CE1-SD 4.37Å; F633-M674 HydrophobicContact CE2-CB 4.07Å; F633-M674 HydrophobicContact CE2-CG 4.38Å; F633-M674 HydrophobicContact CE2-SD 3.93Å; F633-M674 HydrophobicContact CG-CB 4.17Å; F633-M674 HydrophobicContact CZ-CB 4.3Å; F633-M674 HydrophobicContact CZ-SD 3.69Å; M674-F679 HydrophobicContact CE-CB 4.09Å; M674-F679 HydrophobicContact SD-CB 4.1Å
675G73Confident88.8Confident38 Ų3837.9 Ų37.939%0.39225%0.247SC..  trans-83.7-177.3177.100000113.8G601 V673 D677 G678G601-G675 WeakPolarHBondContact CA-O 3.46Å; V673-G675 PolarHBondContact O-N 3.36Å; G675-D677 PolarHBondContact O-N 3.07Å; G675-G678 PolarHBondContact O-N 3.41Å; G675-G678 VanDerWaalsContact O-N 3.12Å
676S72.7Confident88.6Confident99 Ų9940.3 Ų40.369%0.69226%0.264SS*.THydrogen-bonded Turntrans-56.4-37.5177.352.60000113.1G678S676-G678 PolarHBondContact O-N 3.45Å
677D74Confident88.3Confident119 Ų11944 Ų4464%0.63628%0.284SS*.THydrogen-bonded Turntrans-75.5-9.7-176.6-54.9-17.2000112.8G675 Q680G675-D677 PolarHBondContact O-N 3.07Å; D677-Q680 PolarHBondContact O-NE2 3.48Å
678G87.3Confident88.1Confident2 Ų244.1 Ų44.12%0.02128%0.284CS..  trans66.6-160179.500000114.9L599 T652 H653 G675 S676L599-G678 CarbonylContact O-C 3.54Å; L599-G678 VanDerWaalsContact O-CA 3.3Å; L599-G678 WeakPolarHBondContact O-CA 3.09Å; T652-G678 WeakPolarHBondContact CB-O 3.42Å; T652-G678 PolarHBondContact OG1-O 3.32Å; H653-G678 PolarHBondContact CE1-O 3Å; H653-G678 VanDerWaalsContact CE1-O 3.29Å; G675-G678 PolarHBondContact O-N 3.41Å; G675-G678 VanDerWaalsContact O-N 3.12Å; S676-G678 PolarHBondContact O-N 3.45Å
679F91.5Very high87.9Confident0 Ų046.8 Ų46.80%030%0.296CS..EExtended strand (participates in β ladder)trans-102.3126.3178.7-178.2-85.1000110.4F597 S598 L599 L635 I637 C650 T652 H653 V655 V668 M674 M681F597-F679 HydrophobicContact CD1-CD1 4.03Å; F597-F679 HydrophobicContact CD1-CE1 4.06Å; F597-F679 AromaticContact CE1-CD1 3.93Å; F597-F679 HydrophobicContact CE1-CD1 3.93Å; F597-F679 HydrophobicContact CE1-CE1 4.2Å; S598-F679 CarbonylContact C-O 3.56Å; S598-F679 WeakPolarHBondContact CA-O 3.32Å; L599-F679 HydrophobicContact CB-CB 4.22Å; L599-F679 PolarHBondContact N-O 2.78Å; L599-F679 PolarHBondContact O-N 2.82Å; L635-F679 HydrophobicContact CD1-CB 4Å; L635-F679 HydrophobicContact CD1-CD1 4.07Å; L635-F679 HydrophobicContact CD1-CD2 3.88Å; L635-F679 HydrophobicContact CD1-CE2 4.4Å; L635-F679 HydrophobicContact CD1-CG 3.7Å; L635-F679 HydrophobicContact CD2-CD1 4.45Å; L635-F679 HydrophobicContact CD2-CD2 4.1Å; L635-F679 HydrophobicContact CD2-CE1 4.17Å; L635-F679 HydrophobicContact CD2-CE2 3.78Å; L635-F679 HydrophobicContact CD2-CG 4.43Å; L635-F679 HydrophobicContact CD2-CZ 3.82Å; I637-F679 HydrophobicContact CD1-CD1 4.25Å; I637-F679 HydrophobicContact CD1-CE1 3.33Å; I637-F679 HydrophobicContact CD1-CZ 3.58Å; C650-F679 WeakPolarHBondContact SG-CE2 3.44Å; T652-F679 WeakPolarHBondContact OG1-CA 3.48Å; H653-F679 HydrophobicContact CB-CD2 4.23Å; H653-F679 HydrophobicContact CB-CE2 4.17Å; H653-F679 AromaticContact CG-CD2 3.9Å; H653-F679 AromaticContact ND1-CD2 3.53Å; V655-F679 HydrophobicContact CG1-CE2 4.24Å; V668-F679 HydrophobicContact CG2-CD2 4.12Å; V668-F679 HydrophobicContact CG2-CE2 3.74Å; M674-F679 HydrophobicContact CE-CB 4.09Å; M674-F679 HydrophobicContact SD-CB 4.1Å; F679-M681 HydrophobicContact CE1-CB 3.77Å; F679-M681 HydrophobicContact CZ-CB 4.27Å
680Q93.1Very high87.8Confident69 Ų6949.4 Ų49.432%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-131.4136.6178.1-59.5-178.68.400111.9F597 C650 I651 T652 D677F597-Q680 WeakPolarHBondContact O-CA 3.38Å; C650-Q680 PolarHBondContact SG-O 2.76Å; C650-Q680 VanDerWaalsContact SG-O 3.38Å; I651-Q680 HydrophobicContact CB-CB 4.15Å; I651-Q680 HydrophobicContact CD1-CB 4.27Å; I651-Q680 PolarHBondContact N-O 2.88Å; T652-Q680 HydrophobicContact CG2-CB 3.99Å; T652-Q680 HydrophobicContact CG2-CG 4.03Å; T652-Q680 PolarHBondContact OG1-N 3.18Å; D677-Q680 PolarHBondContact O-NE2 3.48Å
681M94.5Very high88Confident1 Ų145.9 Ų45.91%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-142.7141178.6-176.8177.271.500111L483 F597 I637 V639 L648 T649 V666 F679 V683L483-M681 HydrophobicContact CD1-CE 3.44Å; L483-M681 VanDerWaalsContact CD1-CE 3.44Å; F597-M681 PolarHBondContact N-O 2.91Å; F597-M681 PolarHBondContact O-N 3.22Å; I637-M681 HydrophobicContact CD1-CE 3.99Å; I637-M681 HydrophobicContact CD1-SD 4.25Å; I637-M681 HydrophobicContact CG2-CE 4.15Å; V639-M681 HydrophobicContact CG2-CE 4.02Å; L648-M681 HydrophobicContact CD2-SD 4.08Å; L648-M681 HydrophobicContact CG-SD 4.33Å; T649-M681 CarbonylContact O-C 3.58Å; T649-M681 WeakPolarHBondContact O-CA 3.44Å; T649-M681 WeakPolarHBondContact O-CG 3.47Å; V666-M681 HydrophobicContact CB-SD 4.48Å; V666-M681 HydrophobicContact CG1-SD 4.38Å; V666-M681 HydrophobicContact CG2-SD 3.97Å; F679-M681 HydrophobicContact CE1-CB 3.77Å; F679-M681 HydrophobicContact CZ-CB 4.27Å; M681-V683 HydrophobicContact CE-CG2 4.25Å
682S95.3Very high88.5Confident20 Ų2042.4 Ų42.414%0.1425%0.25CC..EExtended strand (participates in β ladder)trans-115.4140.2174.265.20000112I595 L648 T649I595-S682 WeakPolarHBondContact O-CA 3.48Å; L648-S682 WeakPolarHBondContact CA-O 3.49Å; T649-S682 PolarHBondContact N-O 3.2Å; T649-S682 PolarHBondContact O-N 3.05Å
683V96Very high88.9Confident3 Ų339.8 Ų39.82%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-125.7127175.6-172.70000109.2I595 V639 M641 I645 S647 L648 M681 L685I595-V683 HydrophobicContact CB-CB 4.44Å; I595-V683 PolarHBondContact N-O 3.46Å; I595-V683 PolarHBondContact O-N 3.21Å; V639-V683 HydrophobicContact CG1-CG2 4.44Å; M641-V683 HydrophobicContact CE-CB 4.37Å; M641-V683 HydrophobicContact CE-CG1 4.1Å; M641-V683 HydrophobicContact CE-CG2 4.43Å; M641-V683 HydrophobicContact CG-CG1 4.25Å; M641-V683 HydrophobicContact SD-CG1 4.39Å; I645-V683 HydrophobicContact CG1-CG1 4.45Å; I645-V683 HydrophobicContact CG2-CG1 4Å; S647-V683 WeakPolarHBondContact O-CA 3.38Å; L648-V683 HydrophobicContact CD1-CG2 4.38Å; L648-V683 HydrophobicContact CG-CG2 4.43Å; M681-V683 HydrophobicContact CE-CG2 4.25Å; V683-L685 HydrophobicContact CG1-CD2 4.27Å
684T94.6Very high89.4Confident38 Ų3835.7 Ų35.723%0.23321%0.213CC..EExtended strand (participates in β ladder)trans-113135.4176.2-44.20000109.5S594 S646 S647S594-T684 PolarHBondContact OG-OG1 3.29Å; S646-T684 PolarHBondContact N-O 3.31Å; S647-T684 PolarHBondContact N-O 3.07Å; S647-T684 PolarHBondContact O-N 3.17Å; S647-T684 WeakPolarHBondContact OG-CB 3.48Å; S647-T684 PolarHBondContact OG-OG1 3.24Å
685L93.5Very high90Very high8 Ų835.7 Ų35.74%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-104155.3178.7-54-177.3000111.2I595 M641 P642 I645 V683 V688I595-L685 HydrophobicContact CD1-CD1 3.94Å; I595-L685 HydrophobicContact CD1-CG 4.21Å; M641-L685 HydrophobicContact CB-CD2 3.73Å; M641-L685 HydrophobicContact CG-CD2 3.75Å; M641-L685 HydrophobicContact SD-CD1 4.35Å; M641-L685 HydrophobicContact SD-CD2 3.92Å; P642-L685 HydrophobicContact CG-CD1 4.19Å; I645-L685 HydrophobicContact CG1-CD2 4.45Å; V683-L685 HydrophobicContact CG1-CD2 4.27Å; L685-V688 HydrophobicContact CB-CB 4.21Å
686S92.1Very high91.1Very high52 Ų5234.1 Ų34.136%0.36420%0.196SC..SBendtrans-63.8-47.717135.30000112Q644 S646Q644-S686 WeakPolarHBondContact CB-OG 3.25Å; Q644-S686 PolarHBondContact N-OG 3.43Å; Q644-S686 PolarHBondContact O-N 2.61Å; Q644-S686 PolarHBondContact O-OG 2.95Å; S646-S686 WeakPolarHBondContact OG-CA 3.26Å; S646-S686 PolarHBondContact OG-N 2.94Å; S646-S686 VanDerWaalsContact OG-N 3.17Å
687D90.4Very high92.1Very high79 Ų7934.8 Ų34.842%0.42219%0.186SC..SBendtrans-120.552.2-173.5-63.3-68.8000112.6F643 H689 L690F643-D687 HydrophobicContact CB-CB 4.43Å; F643-D687 HydrophobicContact CD1-CB 4.22Å; F643-D687 HydrophobicContact CD2-CB 3.98Å; F643-D687 VanDerWaalsContact CD2-O 3.25Å; F643-D687 WeakPolarHBondContact CD2-O 3.48Å; F643-D687 HydrophobicContact CE2-CB 4.26Å; F643-D687 VanDerWaalsContact CE2-O 3.23Å; F643-D687 WeakPolarHBondContact CE2-O 3.43Å; F643-D687 HydrophobicContact CG-CB 3.96Å; D687-H689 PolarHBondContact O-N 2.72Å; D687-H689 VanDerWaalsContact O-N 3.11Å; D687-L690 HydrophobicContact CB-CB 4.45Å; D687-L690 HydrophobicContact CB-CD1 3.7Å; D687-L690 HydrophobicContact CB-CG 4Å; D687-L690 PolarHBondContact O-N 2.95Å
688V90.9Very high93.1Very high12 Ų1230.3 Ų30.37%0.07316%0.161CC..THydrogen-bonded Turntrans-59-27.4-173.371.40000114.4L685 R692 Y711L685-V688 HydrophobicContact CB-CB 4.21Å; V688-R692 PolarHBondContact O-NH1 2.91Å; V688-Y711 HydrophobicContact CG1-CD1 4.14Å; V688-Y711 HydrophobicContact CG1-CE1 4.13Å; V688-Y711 HydrophobicContact CG2-CD1 3.91Å; V688-Y711 HydrophobicContact CG2-CE1 4.18Å
689H91.3Very high93.4Very high66 Ų6632 Ų3231%0.30617%0.172SC..THydrogen-bonded Turntrans-87.5-11.8-176.2-60.6-66.6000114.3D687 P691 Y711 N713D687-H689 PolarHBondContact O-N 2.72Å; D687-H689 VanDerWaalsContact O-N 3.11Å; H689-P691 WeakPolarHBondContact O-CD 3.29Å; H689-Y711 VanDerWaalsContact CA-O 3.28Å; H689-Y711 WeakPolarHBondContact CA-O 3.49Å; H689-Y711 WeakPolarHBondContact CB-O 3.44Å; H689-Y711 AromaticContact CE1-CD1 3.62Å; H689-Y711 AromaticContact CE1-CE1 3.33Å; H689-Y711 WeakPolarHBondContact CE1-CE1 3.48Å; H689-Y711 AromaticContact ND1-CD1 3.25Å; H689-Y711 VanDerWaalsContact ND1-CD1 3.25Å; H689-Y711 WeakPolarHBondContact ND1-CD1 3.36Å; H689-Y711 AromaticContact ND1-CE1 3.5Å; H689-Y711 PolarHBondContact ND1-O 2.92Å; H689-N713 HydrophobicContact CB-CB 4.42Å
690L90.4Very high93.4Very high87 Ų8738.6 Ų38.646%0.45521%0.207SC..SBendtrans-69.3128.2179.1-72.2-176.5000110.4F643 D687 R692F643-L690 HydrophobicContact CE1-CD1 4.28Å; F643-L690 HydrophobicContact CE2-CB 3.87Å; F643-L690 HydrophobicContact CZ-CB 3.66Å; F643-L690 HydrophobicContact CZ-CD1 4.11Å; D687-L690 HydrophobicContact CB-CB 4.45Å; D687-L690 HydrophobicContact CB-CD1 3.7Å; D687-L690 HydrophobicContact CB-CG 4Å; D687-L690 PolarHBondContact O-N 2.95Å; L690-R692 PolarHBondContact O-NH1 3.07Å
691P92Very high93.3Very high47 Ų4740.4 Ų40.431%0.30521%0.214SC..  trans-58.1139.1172.3-25.836000111.2H689 F710 T957 V959H689-P691 WeakPolarHBondContact O-CD 3.29Å; P691-F710 HydrophobicContact CB-CD1 3.95Å; P691-F710 HydrophobicContact CB-CE1 4.05Å; P691-F710 HydrophobicContact CG-CD1 4.37Å; P691-T957 HydrophobicContact CG-CG2 4.24Å; P691-V959 HydrophobicContact CB-CG2 3.66Å
692R93.4Very high92.9Very high3 Ų347 Ų471%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-149.7154.5-171.560-163.1-174.2-1058.2112.3D485 F643 V688 L690 L708 V709D485-R692 VanDerWaalsContact CG-NE 3.32Å; D485-R692 IonicContact OD1-CZ 2.76Å; D485-R692 IonicContact OD1-NE 3.56Å; D485-R692 PolarHBondContact OD1-NE 3.24Å; D485-R692 VanDerWaalsContact OD1-NE 3.12Å; D485-R692 IonicContact OD1-NH2 2.69Å; D485-R692 PolarHBondContact OD1-NH2 2.97Å; D485-R692 WeakPolarHBondContact OD2-CD 3.34Å; D485-R692 IonicContact OD2-CZ 2.61Å; D485-R692 IonicContact OD2-NE 2.73Å; D485-R692 PolarHBondContact OD2-NE 3.01Å; D485-R692 IonicContact OD2-NH2 3.33Å; F643-R692 HydrophobicContact CE2-CB 4.49Å; F643-R692 HydrophobicContact CZ-CB 4.49Å; V688-R692 PolarHBondContact O-NH1 2.91Å; L690-R692 PolarHBondContact O-NH1 3.07Å; R692-L708 WeakPolarHBondContact O-CA 3.36Å; R692-V709 HydrophobicContact CG-CB 3.74Å; R692-V709 HydrophobicContact CG-CG2 4.22Å; R692-V709 PolarHBondContact N-O 3.5Å; R692-V709 PolarHBondContact O-N 2.82Å
693M94.4Very high92.7Very high0 Ų047.7 Ų47.70%025%0.254CS..EExtended strand (participates in β ladder)trans-133.3132.4-173.9-174.6174.8149.400111.3V695 C706 M707 L708 W907 C941 A944 V959 T961 Q965M693-V695 HydrophobicContact CE-CG2 3.36Å; M693-C706 HydrophobicContact CE-CB 4.25Å; M693-M707 CarbonylContact C-O 3.59Å; M693-M707 VanDerWaalsContact CA-O 3.26Å; M693-M707 WeakPolarHBondContact CA-O 3.36Å; M693-L708 HydrophobicContact CB-CD2 3.66Å; M693-L708 HydrophobicContact CG-CD2 3.76Å; M693-L708 HydrophobicContact CG-CG 4.38Å; M693-L708 HydrophobicContact SD-CD2 3.99Å; M693-W907 HydrophobicContact CE-CZ3 4.27Å; M693-W907 HydrophobicContact SD-CZ3 4.34Å; M693-C941 HydrophobicContact CE-CB 4.23Å; M693-A944 HydrophobicContact SD-CB 4.26Å; M693-V959 HydrophobicContact CB-CG1 3.75Å; M693-T961 WeakPolarHBondContact CE-OG1 3.49Å; M693-T961 WeakPolarHBondContact CG-OG1 3.47Å; M693-T961 PolarHBondContact SD-OG1 3.36Å; M693-Q965 VanDerWaalsContact O-CB 3.32Å; M693-Q965 WeakPolarHBondContact O-CB 3.44Å; M693-Q965 PolarHBondContact O-NE2 3.36Å
694W95.8Very high92.6Very high1 Ų148.4 Ų48.40%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-108.7144.3170.9-70.581.9000110.9M484 D485 E640 P642 C706 M707 Q965 T967 L972M484-W694 HydrophobicContact CE-CE3 4.39Å; M484-W694 HydrophobicContact CG-CD2 4.09Å; M484-W694 HydrophobicContact CG-CE3 3.78Å; M484-W694 HydrophobicContact CG-CH2 3.68Å; M484-W694 HydrophobicContact CG-CZ2 3.98Å; M484-W694 HydrophobicContact CG-CZ3 3.56Å; M484-W694 HydrophobicContact SD-CD2 4.13Å; M484-W694 HydrophobicContact SD-CE3 3.48Å; M484-W694 HydrophobicContact SD-CH2 4.35Å; M484-W694 HydrophobicContact SD-CZ3 3.61Å; D485-W694 HydrophobicContact CB-CZ2 4.01Å; D485-W694 PolarHBondContact OD2-NE1 3.32Å; E640-W694 HydrophobicContact CB-CH2 4.45Å; P642-W694 HydrophobicContact CB-CZ2 4.19Å; W694-C706 CarbonylContact O-C 3.48Å; W694-C706 VanDerWaalsContact O-CA 3.3Å; W694-C706 WeakPolarHBondContact O-CA 3.45Å; W694-M707 HydrophobicContact CB-CB 4.44Å; W694-M707 HydrophobicContact CB-CE 4.11Å; W694-M707 HydrophobicContact CG-CE 3.84Å; W694-M707 PolarHBondContact N-O 3.04Å; W694-M707 PolarHBondContact O-N 3.46Å; W694-Q965 WeakPolarHBondContact CA-O 3.28Å; W694-Q965 HydrophobicContact CD2-CB 4.05Å; W694-Q965 HydrophobicContact CD2-CG 4.23Å; W694-Q965 HydrophobicContact CE3-CB 4.08Å; W694-Q965 HydrophobicContact CG-CB 4.42Å; W694-Q965 HydrophobicContact CZ2-CG 4.29Å; W694-Q965 HydrophobicContact CZ3-CB 4.49Å; W694-T967 HydrophobicContact CE3-CG2 4.02Å; W694-T967 HydrophobicContact CZ3-CG2 3.87Å; W694-L972 HydrophobicContact CB-CD2 4.22Å
695V94.8Very high92.6Very high5 Ų546.6 Ų46.63%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-132.1120.2175.3-179.60000109.3M693 Q704 A705 T961 Q965 K966 T967M693-V695 HydrophobicContact CE-CG2 3.36Å; V695-Q704 HydrophobicContact CG1-CB 4.47Å; V695-A705 WeakPolarHBondContact CA-O 3.48Å; V695-T961 HydrophobicContact CB-CG2 4.17Å; V695-T961 HydrophobicContact CG2-CG2 3.81Å; V695-T961 WeakPolarHBondContact CG2-OG1 3.3Å; V695-Q965 PolarHBondContact N-O 3.07Å; V695-K966 CarbonylContact O-C 3.5Å; V695-K966 VanDerWaalsContact O-CA 3.32Å; V695-K966 WeakPolarHBondContact O-CA 3.42Å; V695-T967 PolarHBondContact O-N 3.3Å
696E95.2Very high92.7Very high6 Ų646.2 Ų46.23%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-105.3131.7173.2-173.7178.367.900109.7Q704 A705 T967 G969 T970 F971 L972 H973E696-Q704 WeakPolarHBondContact O-CA 3.33Å; E696-A705 PolarHBondContact N-O 2.84Å; E696-A705 PolarHBondContact O-N 3.03Å; E696-T967 WeakPolarHBondContact CA-O 3.44Å; E696-T967 WeakPolarHBondContact CA-OG1 3.45Å; E696-T967 WeakPolarHBondContact CB-OG1 3.48Å; E696-T967 WeakPolarHBondContact CG-OG1 3.48Å; E696-G969 VanDerWaalsContact CD-O 3.25Å; E696-G969 WeakPolarHBondContact CG-O 3.29Å; E696-G969 VanDerWaalsContact OE2-C 3.31Å; E696-T970 WeakPolarHBondContact OE1-CA 3.42Å; E696-T970 PolarHBondContact OE1-N 3Å; E696-T970 PolarHBondContact OE2-N 2.95Å; E696-F971 PolarHBondContact OE1-N 3.42Å; E696-F971 PolarHBondContact OE2-N 3.29Å; E696-L972 HydrophobicContact CB-CB 3.71Å; E696-L972 HydrophobicContact CB-CD2 3.95Å; E696-L972 HydrophobicContact CB-CG 4.27Å; E696-L972 VanDerWaalsContact CD-N 3.33Å; E696-L972 HydrophobicContact CG-CB 4.37Å; E696-L972 WeakPolarHBondContact OE1-CA 3.48Å; E696-L972 WeakPolarHBondContact OE1-CB 3.37Å; E696-L972 PolarHBondContact OE1-N 3.28Å; E696-L972 PolarHBondContact OE2-N 3.25Å; E696-H973 PolarHBondContact O-CE1 3.21Å; E696-H973 IonicContact OE1-CE1 2.71Å; E696-H973 IonicContact OE1-CG 2.82Å; E696-H973 PolarHBondContact OE1-N 3.11Å; E696-H973 IonicContact OE1-ND1 3.86Å; E696-H973 PolarHBondContact OE1-ND1 2.9Å
697K94.5Very high92.8Very high113 Ų11343.7 Ų43.749%0.49123%0.227SC..EExtended strand (participates in β ladder)trans-94.7131.5169.7-65.8-176.9-179.6-179.20110.2Q704 T967 R968 G969K697-Q704 HydrophobicContact CG-CG 4.18Å; K697-T967 PolarHBondContact N-O 3.48Å; K697-R968 WeakPolarHBondContact O-CA 3.13Å; K697-G969 PolarHBondContact O-N 3.28Å
698H94.2Very high93.1Very high24 Ų2440 Ų4011%0.11121%0.207CC..  trans-61.9139.4174-166.8-77.8000109.9D700 K701 S703 H973H698-D700 PolarHBondContact ND1-N 3.39Å; H698-D700 PolarHBondContact O-N 3.09Å; H698-K701 HydrophobicContact CB-CB 4.13Å; H698-K701 PolarHBondContact ND1-N 2.61Å; H698-K701 VanDerWaalsContact ND1-N 3.18Å; H698-S703 PolarHBondContact N-O 3.31Å; H698-H973 PolarHBondContact N-CE1 2.95Å; H698-H973 VanDerWaalsContact N-CE1 3.31Å
699P93Very high93.3Very high39 Ų3939.4 Ų39.425%0.25320%0.203SC..SBendtrans-62.9-40.1-177.821-32.7000113.3R968 G969 T970P699-R968 PolarHBondContact O-NH2 3.45Å; P699-G969 VanDerWaalsContact CD-O 3.32Å; P699-G969 WeakPolarHBondContact CD-O 3.43Å; P699-T970 HydrophobicContact CG-CG2 4.13Å
700D92.8Very high93.3Very high137 Ų13736.6 Ų36.673%0.73319%0.19SC*.SBendtrans-117.8-1.1-168.7-47.2-54.9000115H698H698-D700 PolarHBondContact ND1-N 3.39Å; H698-D700 PolarHBondContact O-N 3.09Å
701K89.3Confident93.4Very high107 Ų10732.5 Ų32.547%0.46517%0.169SC..SBendtrans-131.3152-174.6-63.3-179.7-178.2-178.40109.4H698 S703 E1013H698-K701 HydrophobicContact CB-CB 4.13Å; H698-K701 PolarHBondContact ND1-N 2.61Å; H698-K701 VanDerWaalsContact ND1-N 3.18Å; K701-S703 PolarHBondContact O-N 2.86Å; K701-E1013 VanDerWaalsContact NZ-CD 3.33Å; K701-E1013 IonicContact NZ-OE1 3.7Å; K701-E1013 PolarHBondContact NZ-OE1 3.16Å
702D87.8Confident93.2Very high140 Ų14031 Ų3175%0.74916%0.158SC*.SBendtrans-81.468.1171-166.620.9000110.1H940D702-H940 IonicContact OD1-CE1 3.74Å
703S90.3Very high93Very high34 Ų3435.3 Ų35.324%0.23818%0.182CC..  trans-133.2146.8178.9-172.60000110.4H698 K701H698-S703 PolarHBondContact N-O 3.31Å; K701-S703 PolarHBondContact O-N 2.86Å
704Q92.9Very high92.6Very high18 Ų1836.6 Ų36.68%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-133.4126.3179.2-67.9-176-4.200110.5V695 E696 K697 F937 V938V695-Q704 HydrophobicContact CG1-CB 4.47Å; E696-Q704 WeakPolarHBondContact O-CA 3.33Å; K697-Q704 HydrophobicContact CG-CG 4.18Å; Q704-F937 WeakPolarHBondContact O-CA 3.39Å; Q704-V938 PolarHBondContact O-N 2.94Å
705A95.1Very high91.8Very high0 Ų045.5 Ų45.50%023%0.229CC..EExtended strand (participates in β ladder)trans-101.2133.6170.500000109.3V695 E696 F937 L972 H973V695-A705 WeakPolarHBondContact CA-O 3.48Å; E696-A705 PolarHBondContact N-O 2.84Å; E696-A705 PolarHBondContact O-N 3.03Å; A705-F937 HydrophobicContact CB-CD1 4.23Å; A705-F937 HydrophobicContact CB-CE1 4.05Å; A705-L972 HydrophobicContact CB-CB 4.45Å; A705-L972 HydrophobicContact CB-CD2 4.42Å; A705-L972 HydrophobicContact CB-CG 3.93Å; A705-L972 WeakPolarHBondContact O-CD2 3.27Å; A705-H973 HydrophobicContact CB-CB 4.23Å
706C95.4Very high90.4Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-118.3144.1179.9-60.40000110M693 W694 W907 Y935 G936M693-C706 HydrophobicContact CE-CB 4.25Å; W694-C706 CarbonylContact O-C 3.48Å; W694-C706 VanDerWaalsContact O-CA 3.3Å; W694-C706 WeakPolarHBondContact O-CA 3.45Å; C706-W907 HydrophobicContact CB-CH2 3.82Å; C706-W907 HydrophobicContact CB-CZ3 3.62Å; C706-Y935 CarbonylContact O-C 3.58Å; C706-Y935 VanDerWaalsContact O-CA 3.3Å; C706-Y935 WeakPolarHBondContact O-CA 3.29Å; C706-G936 PolarHBondContact N-O 3.26Å; C706-G936 PolarHBondContact O-N 3.09Å
707M96Very high88.6Confident0 Ų055.3 Ų55.30%028%0.277CS..EExtended strand (participates in β ladder)trans-129.7127.7169.1172.2-176.672.300109.5D485 L487 M693 W694 V709 L933 V934 Y935 L972D485-M707 HydrophobicContact CB-CE 4.35Å; L487-M707 HydrophobicContact CD1-CE 3.77Å; L487-M707 HydrophobicContact CD1-SD 3.46Å; L487-M707 WeakPolarHBondContact CD1-SD 3.39Å; L487-M707 HydrophobicContact CD2-SD 3.65Å; L487-M707 HydrophobicContact CG-CE 3.98Å; L487-M707 HydrophobicContact CG-SD 3.63Å; M693-M707 CarbonylContact C-O 3.59Å; M693-M707 VanDerWaalsContact CA-O 3.26Å; M693-M707 WeakPolarHBondContact CA-O 3.36Å; W694-M707 HydrophobicContact CB-CB 4.44Å; W694-M707 HydrophobicContact CB-CE 4.11Å; W694-M707 HydrophobicContact CG-CE 3.84Å; W694-M707 PolarHBondContact N-O 3.04Å; W694-M707 PolarHBondContact O-N 3.46Å; M707-V709 HydrophobicContact CE-CG2 3.67Å; M707-V709 HydrophobicContact CG-CG2 4.02Å; M707-V709 HydrophobicContact SD-CG2 4.02Å; M707-L933 HydrophobicContact CG-CD2 4.26Å; M707-L933 HydrophobicContact SD-CD2 3.96Å; M707-V934 CarbonylContact C-O 3.5Å; M707-V934 WeakPolarHBondContact CA-O 3.36Å; M707-Y935 HydrophobicContact CB-CD1 4.08Å; M707-Y935 HydrophobicContact CB-CE1 4.17Å; M707-Y935 HydrophobicContact CG-CD1 4.26Å; M707-Y935 HydrophobicContact CG-CE1 3.99Å; M707-Y935 HydrophobicContact SD-CE1 3.97Å; M707-L972 HydrophobicContact CB-CD1 3.6Å; M707-L972 HydrophobicContact CB-CD2 4.14Å
708L95.7Very high86.4Confident1 Ų155.5 Ų55.51%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-101.2137166.1-69.1161.7000109.4R692 M693 F710 V905 W907 L933 V934 A944 V959R692-L708 WeakPolarHBondContact O-CA 3.36Å; M693-L708 HydrophobicContact CB-CD2 3.66Å; M693-L708 HydrophobicContact CG-CD2 3.76Å; M693-L708 HydrophobicContact CG-CG 4.38Å; M693-L708 HydrophobicContact SD-CD2 3.99Å; L708-F710 HydrophobicContact CB-CE2 3.76Å; L708-F710 HydrophobicContact CB-CZ 3.9Å; L708-F710 HydrophobicContact CD1-CE2 4.39Å; L708-F710 HydrophobicContact CD1-CZ 4.16Å; L708-F710 HydrophobicContact CD2-CZ 4.4Å; L708-F710 HydrophobicContact CG-CZ 4.39Å; L708-V905 HydrophobicContact CD1-CB 4.42Å; L708-V905 HydrophobicContact CD1-CG1 3.49Å; L708-V905 VanDerWaalsContact CD1-CG1 3.49Å; L708-V905 HydrophobicContact CD1-CG2 4.04Å; L708-W907 HydrophobicContact CD1-CE3 4.4Å; L708-W907 HydrophobicContact CD1-CH2 3.47Å; L708-W907 VanDerWaalsContact CD1-CH2 3.47Å; L708-W907 HydrophobicContact CD1-CZ2 3.85Å; L708-W907 HydrophobicContact CD1-CZ3 3.76Å; L708-W907 HydrophobicContact CG-CH2 3.8Å; L708-W907 HydrophobicContact CG-CZ3 4.04Å; L708-L933 WeakPolarHBondContact O-CA 3.37Å; L708-V934 HydrophobicContact CB-CB 4.21Å; L708-V934 PolarHBondContact N-O 2.87Å; L708-V934 PolarHBondContact O-N 2.96Å; L708-A944 HydrophobicContact CD1-CB 3.75Å; L708-A944 HydrophobicContact CD2-CB 3.95Å; L708-A944 HydrophobicContact CG-CB 4.4Å; L708-V959 HydrophobicContact CD2-CB 4.08Å; L708-V959 HydrophobicContact CD2-CG1 4.06Å; L708-V959 HydrophobicContact CD2-CG2 4.45Å
709V94.5Very high84.1Confident0 Ų059 Ų590%032%0.32CS..EExtended strand (participates in β ladder)trans-119121.2177-171.90000108.8L486 R692 M707 L933L486-V709 HydrophobicContact CD1-CG1 3.53Å; L486-V709 HydrophobicContact CG-CG1 4.13Å; R692-V709 HydrophobicContact CG-CB 3.74Å; R692-V709 HydrophobicContact CG-CG2 4.22Å; R692-V709 PolarHBondContact N-O 3.5Å; R692-V709 PolarHBondContact O-N 2.82Å; M707-V709 HydrophobicContact CE-CG2 3.67Å; M707-V709 HydrophobicContact CG-CG2 4.02Å; M707-V709 HydrophobicContact SD-CG2 4.02Å; V709-L933 HydrophobicContact CB-CD2 4.13Å; V709-L933 HydrophobicContact CG1-CD2 3.96Å; V709-L933 HydrophobicContact CG2-CD2 3.67Å
710F91.9Very high82Confident6 Ų659 Ų593%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-116.4125.1173.4-55.7-69.4000109.1P691 L708 V905 L926 H931 T932 V934 L946 V959P691-F710 HydrophobicContact CB-CD1 3.95Å; P691-F710 HydrophobicContact CB-CE1 4.05Å; P691-F710 HydrophobicContact CG-CD1 4.37Å; L708-F710 HydrophobicContact CB-CE2 3.76Å; L708-F710 HydrophobicContact CB-CZ 3.9Å; L708-F710 HydrophobicContact CD1-CE2 4.39Å; L708-F710 HydrophobicContact CD1-CZ 4.16Å; L708-F710 HydrophobicContact CD2-CZ 4.4Å; L708-F710 HydrophobicContact CG-CZ 4.39Å; F710-V905 HydrophobicContact CE2-CG2 4.19Å; F710-V905 HydrophobicContact CZ-CG2 4.24Å; F710-L926 HydrophobicContact CB-CD1 4.46Å; F710-H931 CarbonylContact O-C 3.59Å; F710-H931 VanDerWaalsContact O-CA 3.22Å; F710-H931 WeakPolarHBondContact O-CA 3.32Å; F710-T932 PolarHBondContact N-O 3.31Å; F710-T932 PolarHBondContact O-N 3.41Å; F710-V934 HydrophobicContact CD2-CG2 4.31Å; F710-V934 HydrophobicContact CE2-CG2 3.97Å; F710-L946 HydrophobicContact CD1-CD2 3.83Å; F710-L946 HydrophobicContact CE1-CB 3.95Å; F710-L946 HydrophobicContact CE1-CD1 4.05Å; F710-L946 HydrophobicContact CE1-CD2 3.69Å; F710-L946 HydrophobicContact CE1-CG 4.11Å; F710-L946 HydrophobicContact CE2-CD1 4.08Å; F710-L946 HydrophobicContact CZ-CB 4.11Å; F710-L946 HydrophobicContact CZ-CD1 3.77Å; F710-L946 HydrophobicContact CZ-CD2 4.28Å; F710-L946 HydrophobicContact CZ-CG 4.27Å; F710-V959 HydrophobicContact CE1-CG2 4.28Å
711Y91.7Very high79.9Confident2 Ų261 Ų611%0.00833%0.326CS..  trans-136.273.4173.7-175.2-117.5000108.9V590 G593 V688 H689 D929 H931V590-Y711 HydrophobicContact CB-CE2 4.06Å; V590-Y711 HydrophobicContact CG1-CD2 4.42Å; V590-Y711 HydrophobicContact CG1-CE1 3.92Å; V590-Y711 HydrophobicContact CG1-CE2 3.76Å; V590-Y711 VanDerWaalsContact CG1-CZ 3.48Å; G593-Y711 PolarHBondContact N-OH 3.32Å; V688-Y711 HydrophobicContact CG1-CD1 4.14Å; V688-Y711 HydrophobicContact CG1-CE1 4.13Å; V688-Y711 HydrophobicContact CG2-CD1 3.91Å; V688-Y711 HydrophobicContact CG2-CE1 4.18Å; H689-Y711 VanDerWaalsContact CA-O 3.28Å; H689-Y711 WeakPolarHBondContact CA-O 3.49Å; H689-Y711 WeakPolarHBondContact CB-O 3.44Å; H689-Y711 AromaticContact CE1-CD1 3.62Å; H689-Y711 AromaticContact CE1-CE1 3.33Å; H689-Y711 WeakPolarHBondContact CE1-CE1 3.48Å; H689-Y711 AromaticContact ND1-CD1 3.25Å; H689-Y711 VanDerWaalsContact ND1-CD1 3.25Å; H689-Y711 WeakPolarHBondContact ND1-CD1 3.36Å; H689-Y711 AromaticContact ND1-CE1 3.5Å; H689-Y711 PolarHBondContact ND1-O 2.92Å; Y711-D929 VanDerWaalsContact CE2-CA 3.49Å; Y711-D929 HydrophobicContact CE2-CB 4.39Å; Y711-D929 WeakPolarHBondContact CE2-O 3.26Å; Y711-H931 HydrophobicContact CD2-CB 3.78Å
712P89.1Confident78.4Confident14 Ų1457 Ų579%0.09132%0.316CS..  trans-69.7152-166.832.3-38.1000111.9F714 L926 F927 N928 D929 C930P712-F714 HydrophobicContact CB-CD1 4.3Å; P712-F714 HydrophobicContact CB-CD2 4.22Å; P712-F714 HydrophobicContact CB-CE1 3.76Å; P712-F714 HydrophobicContact CB-CE2 3.67Å; P712-F714 HydrophobicContact CB-CZ 3.42Å; P712-F714 VanDerWaalsContact CB-CZ 3.42Å; P712-F714 HydrophobicContact CG-CE2 3.91Å; P712-F714 HydrophobicContact CG-CZ 3.99Å; P712-L926 HydrophobicContact CG-CB 4.14Å; P712-F927 VanDerWaalsContact CG-O 3.3Å; P712-F927 WeakPolarHBondContact CG-O 3.42Å; P712-N928 WeakPolarHBondContact O-CA 3.41Å; P712-D929 PolarHBondContact O-N 2.93Å; P712-C930 WeakPolarHBondContact CD-O 3.26Å
713N88.6Confident77.8Confident94 Ų9452.9 Ų52.950%0.50330%0.297SS..  trans-135.485.7164.3-178.514.4000107H689H689-N713 HydrophobicContact CB-CB 4.42Å
714F86.8Confident77.8Confident27 Ų2752.1 Ų52.112%0.11829%0.29CS..  trans-73.6128177-53.2-57.1000109.2P712 P898 C900 L926 N928 L950 L955P712-F714 HydrophobicContact CB-CD1 4.3Å; P712-F714 HydrophobicContact CB-CD2 4.22Å; P712-F714 HydrophobicContact CB-CE1 3.76Å; P712-F714 HydrophobicContact CB-CE2 3.67Å; P712-F714 HydrophobicContact CB-CZ 3.42Å; P712-F714 VanDerWaalsContact CB-CZ 3.42Å; P712-F714 HydrophobicContact CG-CE2 3.91Å; P712-F714 HydrophobicContact CG-CZ 3.99Å; F714-P898 HydrophobicContact CB-CB 4.32Å; F714-P898 HydrophobicContact CB-CG 3.82Å; F714-P898 HydrophobicContact CD2-CG 4.4Å; F714-C900 HydrophobicContact CE1-CB 4.45Å; F714-C900 HydrophobicContact CE2-CB 3.81Å; F714-C900 HydrophobicContact CZ-CB 3.58Å; F714-L926 HydrophobicContact CE2-CB 4.33Å; F714-L926 HydrophobicContact CZ-CB 4.29Å; F714-N928 WeakPolarHBondContact CB-OD1 3.42Å; F714-N928 WeakPolarHBondContact CD2-OD1 3.35Å; F714-N928 WeakPolarHBondContact CG-OD1 3.25Å; F714-N928 PolarHBondContact N-ND2 3.39Å; F714-N928 PolarHBondContact N-OD1 2.98Å; F714-N928 PolarHBondContact O-ND2 3.36Å; F714-L950 HydrophobicContact CB-CD1 4.45Å; F714-L950 HydrophobicContact CB-CD2 4.36Å; F714-L950 HydrophobicContact CD1-CD1 4.29Å; F714-L950 HydrophobicContact CD1-CD2 3.86Å; F714-L950 HydrophobicContact CD2-CD1 4.02Å; F714-L950 HydrophobicContact CE1-CD2 4.39Å; F714-L950 HydrophobicContact CE2-CD1 4.33Å; F714-L950 HydrophobicContact CG-CD1 4Å; F714-L950 HydrophobicContact CG-CD2 4.16Å; F714-L955 HydrophobicContact CE1-CD2 4.2Å
715E77.8Confident77.9Confident189 Ų18951.4 Ų51.488%0.88329%0.287SS*.  trans-60.4142173.8-65.5-176.6171.700110.4
716F65.8Low77.9Confident97 Ų9751.4 Ų51.443%0.42529%0.287SS..  trans-134.9124.5-177.2167.3-100.9000110.2S718 S720 R951F716-S718 PolarHBondContact O-N 3.18Å; F716-S720 WeakPolarHBondContact CE2-OG 3.5Å; F716-S720 VanDerWaalsContact CZ-CB 3.45Å; F716-S720 WeakPolarHBondContact CZ-OG 3.49Å; F716-R951 VanDerWaalsContact CD2-NH2 3.25Å
717D56.9Low78Confident120 Ų12051.4 Ų51.464%0.64229%0.287SS*.  trans-68.8113167.3-68.3-35.4000109S719 S720D717-S719 PolarHBondContact O-N 3.06Å; D717-S720 PolarHBondContact O-N 3.33Å; D717-S720 PolarHBondContact O-OG 2.89Å
718S48.8Very low78Confident116 Ų11651.4 Ų51.481%0.81129%0.287SS*.THydrogen-bonded Turntrans-60.5-6.3178.253.30000114.4F716 S720F716-S718 PolarHBondContact O-N 3.18Å; S718-S720 PolarHBondContact O-N 2.73Å
719S45.4Very low77.9Confident97 Ų9751.4 Ų51.468%0.67829%0.287SS*.THydrogen-bonded Turntrans-77.39.8175.161.10000114.4D717 E721D717-S719 PolarHBondContact O-N 3.06Å; S719-E721 PolarHBondContact O-N 3.4Å
720S49.7Very low77.8Confident40 Ų4051.4 Ų51.428%0.2829%0.287SS..  trans-78.767.6176.4-41.30000110.6F716 D717 S718 G722F716-S720 WeakPolarHBondContact CE2-OG 3.5Å; F716-S720 VanDerWaalsContact CZ-CB 3.45Å; F716-S720 WeakPolarHBondContact CZ-OG 3.49Å; D717-S720 PolarHBondContact O-N 3.33Å; D717-S720 PolarHBondContact O-OG 2.89Å; S718-S720 PolarHBondContact O-N 2.73Å; S720-G722 PolarHBondContact O-N 2.65Å
721E48.7Very low77.6Confident178 Ų17851.5 Ų51.583%0.83229%0.288SS*.  trans-58.6119.1158.9-66.5-174.2164.300107.4S719S719-E721 PolarHBondContact O-N 3.4Å
722G58.6Low77.1Confident25 Ų2551.4 Ų51.426%0.25829%0.288SS..  trans127.823.1172.100000118.2S720 E724S720-G722 PolarHBondContact O-N 2.65Å; G722-E724 PolarHBondContact O-N 3.03Å; G722-E724 VanDerWaalsContact O-N 3.08Å
723S74.5Confident76.3Confident52 Ų5252 Ų5236%0.36429%0.29SS..  trans-63.2113.8168.1-69.50000110.3K759S723-K759 PolarHBondContact O-N 2.78Å
724E90.1Very high75.7Confident18 Ų1849.8 Ų49.88%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-104137.1176.1-170.4-171.115600109.2G722 V726 K759 A776 R819 N820G722-E724 PolarHBondContact O-N 3.03Å; G722-E724 VanDerWaalsContact O-N 3.08Å; E724-V726 HydrophobicContact CG-CG2 4.39Å; E724-V726 WeakPolarHBondContact OE1-CG2 3.33Å; E724-K759 CarbonylContact C-O 3.57Å; E724-K759 WeakPolarHBondContact CA-O 3.41Å; E724-K759 HydrophobicContact CG-CB 4.39Å; E724-A776 HydrophobicContact CG-CB 3.57Å; E724-R819 HydrophobicContact CB-CB 4.5Å; E724-R819 HydrophobicContact CB-CG 4.5Å; E724-R819 HydrophobicContact CG-CG 4.4Å; E724-R819 IonicContact OE1-CZ 2.74Å; E724-R819 IonicContact OE1-NE 3.53Å; E724-R819 PolarHBondContact OE1-NE 2.87Å; E724-R819 IonicContact OE1-NH2 3.8Å; E724-R819 PolarHBondContact OE1-NH2 3.41Å; E724-R819 IonicContact OE2-CZ 2.71Å; E724-R819 IonicContact OE2-NE 3.1Å; E724-R819 PolarHBondContact OE2-NE 3.46Å; E724-R819 IonicContact OE2-NH2 2.74Å; E724-R819 PolarHBondContact OE2-NH2 3.13Å; E724-N820 PolarHBondContact O-N 3.37Å; E724-N820 PolarHBondContact O-ND2 2.88Å
725V94.1Very high75.3Confident4 Ų448.5 Ų48.52%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-123.3124.4173.4176.90000109.2L727 L754 V758 K759 I760 N761 N820 M895V725-L727 HydrophobicContact CG1-CD2 4.05Å; V725-L754 HydrophobicContact CB-CD1 4.46Å; V725-L754 HydrophobicContact CG1-CD1 4.13Å; V725-L754 HydrophobicContact CG2-CD2 4.05Å; V725-V758 HydrophobicContact CB-CG1 4.02Å; V725-V758 HydrophobicContact CG2-CG1 3.59Å; V725-K759 PolarHBondContact N-O 2.85Å; V725-I760 VanDerWaalsContact O-CA 3.25Å; V725-I760 WeakPolarHBondContact O-CA 3.37Å; V725-N761 PolarHBondContact O-N 3.24Å; V725-N820 CarbonylContact C-O 3.58Å; V725-N820 VanDerWaalsContact CA-O 3.28Å; V725-N820 WeakPolarHBondContact CA-O 3.48Å; V725-N820 HydrophobicContact CG2-CB 4.27Å; V725-M895 HydrophobicContact CG1-SD 4.32Å
726V96Very high75.2Confident0 Ų045.2 Ų45.20%026%0.258CS..EExtended strand (participates in β ladder)trans-115.2116.9174.3-174.90000108.9E724 L728 N761 V763 L809 R819 N820 L821 L822E724-V726 HydrophobicContact CG-CG2 4.39Å; E724-V726 WeakPolarHBondContact OE1-CG2 3.33Å; V726-L728 HydrophobicContact CG1-CD2 3.92Å; V726-N761 WeakPolarHBondContact CA-O 3.49Å; V726-N761 HydrophobicContact CG1-CB 4.33Å; V726-N761 HydrophobicContact CG2-CB 4.27Å; V726-V763 HydrophobicContact CG1-CG2 3.71Å; V726-L809 HydrophobicContact CG1-CD1 4.18Å; V726-L809 HydrophobicContact CG2-CD2 4.45Å; V726-R819 HydrophobicContact CG2-CG 4.01Å; V726-N820 PolarHBondContact N-O 2.84Å; V726-L821 HydrophobicContact CB-CD2 3.78Å; V726-L821 HydrophobicContact CG1-CD2 4.47Å; V726-L821 HydrophobicContact CG2-CD2 4.16Å; V726-L821 WeakPolarHBondContact O-CA 3.37Å; V726-L822 PolarHBondContact O-N 3.37Å
727L97Very high75.9Confident0 Ų042.5 Ų42.50%026%0.258CS..EExtended strand (participates in β ladder)trans-83.6116.8175-56.6-176.2000108.9V725 L729 V750 I760 N761 I762 V763 I790 L822V725-L727 HydrophobicContact CG1-CD2 4.05Å; L727-L729 HydrophobicContact CB-CD1 3.73Å; L727-V750 HydrophobicContact CD2-CG1 3.97Å; L727-I760 HydrophobicContact CD1-CD1 4.19Å; L727-I760 HydrophobicContact CG-CD1 4.4Å; L727-N761 PolarHBondContact N-O 3.4Å; L727-I762 HydrophobicContact CB-CG1 4.35Å; L727-I762 HydrophobicContact CB-CG2 4.36Å; L727-I762 HydrophobicContact CD1-CD1 4.46Å; L727-I762 HydrophobicContact CD1-CG1 4.3Å; L727-I762 WeakPolarHBondContact O-CA 3.39Å; L727-V763 PolarHBondContact O-N 2.83Å; L727-I790 HydrophobicContact CD1-CD1 4.41Å; L727-L822 HydrophobicContact CD2-CB 3.93Å; L727-L822 HydrophobicContact CD2-CD2 3.88Å; L727-L822 HydrophobicContact CD2-CG 4.45Å
728L96.4Very high77.1Confident0 Ų042 Ų420%025%0.252CS..EExtended strand (participates in β ladder)trans-100.4102.4175.2-55.4176.9000108V726 V763 F765 L802 L806 L809 L821 L822 L823 L824 L848V726-L728 HydrophobicContact CG1-CD2 3.92Å; L728-V763 WeakPolarHBondContact CA-O 3.19Å; L728-V763 HydrophobicContact CD2-CB 3.72Å; L728-V763 HydrophobicContact CD2-CG1 4.37Å; L728-V763 HydrophobicContact CD2-CG2 3.9Å; L728-F765 HydrophobicContact CB-CD1 4.28Å; L728-F765 HydrophobicContact CB-CE1 4Å; L728-L802 HydrophobicContact CD1-CD1 3.92Å; L728-L806 HydrophobicContact CD1-CD2 3.94Å; L728-L809 HydrophobicContact CD2-CD1 4.13Å; L728-L821 HydrophobicContact CD1-CB 4.21Å; L728-L822 PolarHBondContact N-O 2.82Å; L728-L823 HydrophobicContact CB-CD1 4.13Å; L728-L823 WeakPolarHBondContact O-CA 3.4Å; L728-L824 PolarHBondContact O-N 2.78Å; L728-L848 HydrophobicContact CD1-CD1 4.44Å
729L94.3Very high78.7Confident1 Ų137.2 Ų37.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-97.9117.6178-73.177.4000108.9L727 A747 I762 V763 L764 F765 I790 L824L727-L729 HydrophobicContact CB-CD1 3.73Å; L729-A747 HydrophobicContact CD1-CB 4.4Å; L729-A747 HydrophobicContact CD2-CB 3.94Å; L729-A747 HydrophobicContact CG-CB 4.39Å; L729-I762 HydrophobicContact CD1-CG2 3.73Å; L729-V763 PolarHBondContact N-O 2.83Å; L729-L764 HydrophobicContact CB-CD2 3.73Å; L729-L764 HydrophobicContact CD2-CD2 4.09Å; L729-L764 HydrophobicContact CG-CD2 4.33Å; L729-L764 WeakPolarHBondContact O-CA 3.38Å; L729-F765 VanDerWaalsContact O-CD1 3.3Å; L729-F765 WeakPolarHBondContact O-CD1 3.45Å; L729-F765 PolarHBondContact O-N 2.88Å; L729-I790 HydrophobicContact CD2-CG1 4.44Å; L729-I790 HydrophobicContact CD2-CG2 4.09Å; L729-L824 HydrophobicContact CD1-CD1 4.38Å; L729-L824 HydrophobicContact CG-CD1 4.06Å
730D91.5Very high80.7Confident0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-71.2132.9171.5-175.9-6.7000109.4S732 L735 F765 T800 L824 S825D730-S732 WeakPolarHBondContact OD1-CB 3.37Å; D730-S732 PolarHBondContact OD1-N 3.32Å; D730-S732 PolarHBondContact OD1-OG 3.42Å; D730-S732 PolarHBondContact OD2-OG 2.83Å; D730-L735 HydrophobicContact CB-CD1 3.41Å; D730-L735 VanDerWaalsContact CB-CD1 3.41Å; D730-L735 VanDerWaalsContact CG-CD1 3.42Å; D730-L735 WeakPolarHBondContact O-CD1 3.35Å; D730-F765 CarbonylContact C-O 3.43Å; D730-F765 WeakPolarHBondContact CA-O 3.48Å; D730-F765 HydrophobicContact CB-CE1 3.86Å; D730-F765 HydrophobicContact CB-CE2 4.31Å; D730-F765 HydrophobicContact CB-CZ 3.61Å; D730-T800 WeakPolarHBondContact OD2-CG2 3.49Å; D730-L824 WeakPolarHBondContact CB-O 3.37Å; D730-L824 PolarHBondContact N-O 2.73Å; D730-S825 VanDerWaalsContact OD2-CB 3.32Å; D730-S825 WeakPolarHBondContact OD2-CB 3.48Å; D730-S825 PolarHBondContact OD2-OG 2.93Å
731T87.5Confident82.4Confident7 Ų734.5 Ų34.54%0.04319%0.191CC..  trans-126.217179.770.90000111.9L764 F765 C793 V796T731-L764 HydrophobicContact CG2-CB 3.87Å; T731-L764 HydrophobicContact CG2-CD2 4.35Å; T731-F765 PolarHBondContact N-O 3.39Å; T731-F765 PolarHBondContact OG1-O 3.31Å; T731-C793 WeakPolarHBondContact CG2-SG 3.09Å; T731-V796 PolarHBondContact O-N 3.28Å
732S80.6Confident84.1Confident1 Ų126.5 Ų26.51%0.00715%0.154CC..SBendtrans-64.1167177.562.10000112.6D730 S734 L735 S799 T800D730-S732 WeakPolarHBondContact OD1-CB 3.37Å; D730-S732 PolarHBondContact OD1-N 3.32Å; D730-S732 PolarHBondContact OD1-OG 3.42Å; D730-S732 PolarHBondContact OD2-OG 2.83Å; S732-S734 PolarHBondContact O-N 2.87Å; S732-S734 PolarHBondContact OG-OG 3.32Å; S732-L735 PolarHBondContact O-N 3.47Å; S732-L735 VanDerWaalsContact O-N 3.09Å; S732-S799 WeakPolarHBondContact CB-O 3.49Å; S732-T800 VanDerWaalsContact CB-OG1 3.22Å; S732-T800 WeakPolarHBondContact CB-OG1 3.32Å; S732-T800 PolarHBondContact OG-OG1 2.92Å; S732-T800 VanDerWaalsContact OG-OG1 3.05Å
733E73.8Confident85.6Confident27 Ų2725.3 Ų25.313%0.12614%0.142CC..G310 helixtrans-63.3-30.5-175.2178.762.9168.300113.5M216 L735 K736 S795 G798M216-E733 HydrophobicContact CB-CG 4.43Å; M216-E733 HydrophobicContact CE-CG 4.21Å; M216-E733 VanDerWaalsContact CE-OE1 3.28Å; M216-E733 WeakPolarHBondContact CE-OE1 3.22Å; M216-E733 WeakPolarHBondContact CE-OE2 3.48Å; M216-E733 HydrophobicContact SD-CB 3.72Å; M216-E733 HydrophobicContact SD-CG 3.54Å; M216-E733 VanDerWaalsContact SD-CG 3.54Å; E733-L735 PolarHBondContact O-N 3.36Å; E733-K736 VanDerWaalsContact O-CB 3.29Å; E733-K736 WeakPolarHBondContact O-CB 3.29Å; E733-K736 PolarHBondContact O-N 3.11Å; E733-K736 WeakPolarHBondContact OE1-CD 3.47Å; E733-K736 IonicContact OE1-NZ 2.75Å; E733-K736 PolarHBondContact OE1-NZ 3.41Å; E733-K736 WeakPolarHBondContact OE2-CD 3.15Å; E733-S795 PolarHBondContact OE2-OG 2.82Å; E733-G798 PolarHBondContact N-O 3.45Å; E733-G798 VanDerWaalsContact N-O 3.17Å
734S74.5Confident86.4Confident46 Ų4624.1 Ų24.132%0.32213%0.13SC..G310 helixtrans-61.2-19.7178.766.90000112.7S732 D826S732-S734 PolarHBondContact O-N 2.87Å; S732-S734 PolarHBondContact OG-OG 3.32Å; S734-D826 WeakPolarHBondContact CB-OD2 3.21Å; S734-D826 VanDerWaalsContact OG-CG 3.24Å; S734-D826 PolarHBondContact OG-OD1 3.23Å; S734-D826 PolarHBondContact OG-OD2 2.89Å
735L78.7Confident86.3Confident0 Ų024.6 Ų24.60%013%0.132CC..G310 helixtrans-93.41.8179.2-61.6-169.8000114.5D730 S732 E733 G737 L740 D826 F853D730-L735 HydrophobicContact CB-CD1 3.41Å; D730-L735 VanDerWaalsContact CB-CD1 3.41Å; D730-L735 VanDerWaalsContact CG-CD1 3.42Å; D730-L735 WeakPolarHBondContact O-CD1 3.35Å; S732-L735 PolarHBondContact O-N 3.47Å; S732-L735 VanDerWaalsContact O-N 3.09Å; E733-L735 PolarHBondContact O-N 3.36Å; L735-G737 PolarHBondContact O-N 2.92Å; L735-L740 WeakPolarHBondContact O-CB 3.29Å; L735-L740 PolarHBondContact O-N 3.25Å; L735-D826 HydrophobicContact CD2-CB 3.62Å; L735-F853 HydrophobicContact CD1-CE2 3.98Å; L735-F853 HydrophobicContact CD1-CZ 4.09Å; L735-F853 HydrophobicContact CD2-CD2 4.28Å; L735-F853 HydrophobicContact CD2-CE2 3.56Å; L735-F853 HydrophobicContact CD2-CZ 4.36Å; L735-F853 HydrophobicContact CG-CE2 4.38Å
736K77.3Confident86.2Confident120 Ų12024.5 Ų24.552%0.52213%0.131SC..THydrogen-bonded Turntrans-55.1140.7179.9-172.7177.7-167.61690112.8E733E733-K736 VanDerWaalsContact O-CB 3.29Å; E733-K736 WeakPolarHBondContact O-CB 3.29Å; E733-K736 PolarHBondContact O-N 3.11Å; E733-K736 WeakPolarHBondContact OE1-CD 3.47Å; E733-K736 IonicContact OE1-NZ 2.75Å; E733-K736 PolarHBondContact OE1-NZ 3.41Å; E733-K736 WeakPolarHBondContact OE2-CD 3.15Å
737G79.8Confident86.1Confident41 Ų4124.5 Ų24.542%0.42313%0.131SC..THydrogen-bonded Turntrans83.4-128.2177.200000112.6L735 S739L735-G737 PolarHBondContact O-N 2.92Å; G737-S739 VanDerWaalsContact C-N 3.34Å; G737-S739 PolarHBondContact O-N 3.21Å
738E81.1Confident85.8Confident109 Ų10925.5 Ų25.551%0.50914%0.137SC..Hα-helixtrans-62.5-39-172.6-170.3-179.7179.900112.1L740 Q741 L742E738-L740 PolarHBondContact O-N 2.85Å; E738-Q741 WeakPolarHBondContact O-CB 3.5Å; E738-Q741 PolarHBondContact O-N 3.5Å; E738-Q741 VanDerWaalsContact O-N 3.1Å; E738-L742 HydrophobicContact CG-CD1 4.27Å; E738-L742 HydrophobicContact CG-CG 4.26Å; E738-L742 WeakPolarHBondContact O-CG 3.43Å; E738-L742 PolarHBondContact O-N 3.09Å
739S84.2Confident85.6Confident16 Ų1627.2 Ų27.211%0.11215%0.145CC..Hα-helixtrans-59.4-43.4-176.1-56.70000113G737 Q741 L742 A743 F853G737-S739 VanDerWaalsContact C-N 3.34Å; G737-S739 PolarHBondContact O-N 3.21Å; S739-Q741 VanDerWaalsContact C-N 3.34Å; S739-Q741 PolarHBondContact O-N 3.21Å; S739-L742 WeakPolarHBondContact O-CB 3.01Å; S739-L742 PolarHBondContact O-N 3.1Å; S739-A743 PolarHBondContact O-N 3Å; S739-F853 WeakPolarHBondContact O-CE2 3.34Å
740L86.3Confident85.5Confident15 Ų1527.3 Ų27.38%0.07915%0.145CC..Hα-helixtrans-64.2-39.2176.1-173.363.5000112L735 E738 L742 A743 Q744L735-L740 WeakPolarHBondContact O-CB 3.29Å; L735-L740 PolarHBondContact O-N 3.25Å; E738-L740 PolarHBondContact O-N 2.85Å; L740-L742 VanDerWaalsContact C-N 3.31Å; L740-L742 PolarHBondContact O-N 3.21Å; L740-A743 WeakPolarHBondContact O-CB 3.32Å; L740-A743 PolarHBondContact O-N 3.34Å; L740-Q744 WeakPolarHBondContact O-CG 3.18Å; L740-Q744 PolarHBondContact O-N 2.98Å
741Q84.8Confident85.6Confident65 Ų6527.3 Ų27.330%0.30415%0.145SC..Hα-helixtrans-64.1-39.4176.3-63.1174.8-7.600111.1E738 S739 Q744 K745E738-Q741 WeakPolarHBondContact O-CB 3.5Å; E738-Q741 PolarHBondContact O-N 3.5Å; E738-Q741 VanDerWaalsContact O-N 3.1Å; S739-Q741 VanDerWaalsContact C-N 3.34Å; S739-Q741 PolarHBondContact O-N 3.21Å; Q741-Q744 PolarHBondContact O-N 2.79Å; Q741-K745 WeakPolarHBondContact O-CB 3.4Å; Q741-K745 WeakPolarHBondContact O-CG 3.43Å; Q741-K745 PolarHBondContact O-N 3.28Å
742L86.2Confident85.7Confident10 Ų1033 Ų335%0.05217%0.17CC..Hα-helixtrans-64-43.8174.1-63.2178000111.1E738 S739 L740 Q744 K745 I746 W884E738-L742 HydrophobicContact CG-CD1 4.27Å; E738-L742 HydrophobicContact CG-CG 4.26Å; E738-L742 WeakPolarHBondContact O-CG 3.43Å; E738-L742 PolarHBondContact O-N 3.09Å; S739-L742 WeakPolarHBondContact O-CB 3.01Å; S739-L742 PolarHBondContact O-N 3.1Å; L740-L742 VanDerWaalsContact C-N 3.31Å; L740-L742 PolarHBondContact O-N 3.21Å; L742-Q744 PolarHBondContact O-N 3.05Å; L742-K745 PolarHBondContact O-N 3.42Å; L742-I746 VanDerWaalsContact O-CG1 3.29Å; L742-I746 WeakPolarHBondContact O-CG1 3.4Å; L742-I746 PolarHBondContact O-N 3.12Å; L742-W884 HydrophobicContact CB-CH2 4.16Å; L742-W884 HydrophobicContact CD1-CH2 4.06Å; L742-W884 HydrophobicContact CD2-CH2 3.42Å; L742-W884 VanDerWaalsContact CD2-CH2 3.42Å; L742-W884 HydrophobicContact CD2-CZ3 3.83Å; L742-W884 HydrophobicContact CG-CH2 4.04Å
743A90Very high86.2Confident0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-57.1-48175.600000111.8S739 L740 I746 A747 F853S739-A743 PolarHBondContact O-N 3Å; L740-A743 WeakPolarHBondContact O-CB 3.32Å; L740-A743 PolarHBondContact O-N 3.34Å; A743-I746 PolarHBondContact O-N 3.31Å; A743-A747 WeakPolarHBondContact O-CB 3.26Å; A743-A747 PolarHBondContact O-N 3.25Å; A743-F853 HydrophobicContact CB-CE1 3.94Å; A743-F853 HydrophobicContact CB-CE2 3.79Å; A743-F853 HydrophobicContact CB-CZ 3.36Å
744Q90.4Very high87Confident26 Ų2635.3 Ų35.312%0.12118%0.183CC..Hα-helixtrans-60-46.2176.1-71.9173.7-17.900111.8L740 Q741 L742 I746 A747 L748 I790 C793L740-Q744 WeakPolarHBondContact O-CG 3.18Å; L740-Q744 PolarHBondContact O-N 2.98Å; Q741-Q744 PolarHBondContact O-N 2.79Å; L742-Q744 PolarHBondContact O-N 3.05Å; Q744-I746 PolarHBondContact O-N 3.21Å; Q744-A747 PolarHBondContact O-N 3.44Å; Q744-L748 WeakPolarHBondContact O-CB 3.18Å; Q744-L748 VanDerWaalsContact O-CG 3.27Å; Q744-L748 WeakPolarHBondContact O-CG 3.32Å; Q744-L748 PolarHBondContact O-N 3.01Å; Q744-I790 HydrophobicContact CB-CG2 4.19Å; Q744-I790 HydrophobicContact CG-CG2 4.2Å; Q744-I790 PolarHBondContact NE2-O 2.88Å; Q744-C793 PolarHBondContact NE2-O 3.09Å
745K88.3Confident87.6Confident28 Ų2839.4 Ų39.412%0.12219%0.194CC..Hα-helixtrans-59.6-45.7177.9-78.2-179.4174.3-1730111.4V446 D449 L450 Q741 L742 L748 Q749V446-K745 HydrophobicContact CG1-CG 3.8Å; D449-K745 IonicContact OD2-NZ 2.98Å; D449-K745 PolarHBondContact OD2-NZ 3.09Å; L450-K745 HydrophobicContact CD1-CB 3.93Å; L450-K745 HydrophobicContact CD1-CD 4.32Å; L450-K745 HydrophobicContact CD1-CG 4.43Å; Q741-K745 WeakPolarHBondContact O-CB 3.4Å; Q741-K745 WeakPolarHBondContact O-CG 3.43Å; Q741-K745 PolarHBondContact O-N 3.28Å; L742-K745 PolarHBondContact O-N 3.42Å; K745-L748 PolarHBondContact O-N 3.19Å; K745-Q749 WeakPolarHBondContact O-CG 3.15Å; K745-Q749 PolarHBondContact O-N 2.75Å
746I91.2Very high87.9Confident2 Ų244.4 Ų44.41%0.0122%0.221CC..Hα-helixtrans-65.5-43.9177.9-62.9162.5000110.6L742 A743 Q744 L748 Q749 V750 L824 F853 F876 W884 V888L742-I746 VanDerWaalsContact O-CG1 3.29Å; L742-I746 WeakPolarHBondContact O-CG1 3.4Å; L742-I746 PolarHBondContact O-N 3.12Å; A743-I746 PolarHBondContact O-N 3.31Å; Q744-I746 PolarHBondContact O-N 3.21Å; I746-L748 VanDerWaalsContact C-N 3.34Å; I746-L748 PolarHBondContact O-N 3Å; I746-Q749 PolarHBondContact O-N 2.6Å; I746-V750 HydrophobicContact CG2-CG2 4.38Å; I746-V750 VanDerWaalsContact O-CG2 3.32Å; I746-V750 WeakPolarHBondContact O-CG2 3.29Å; I746-V750 PolarHBondContact O-N 3.26Å; I746-L824 HydrophobicContact CB-CD2 4.07Å; I746-L824 HydrophobicContact CG2-CD2 3.56Å; I746-F853 HydrophobicContact CD1-CD1 4.15Å; I746-F876 HydrophobicContact CD1-CB 3.81Å; I746-F876 HydrophobicContact CD1-CD1 3.9Å; I746-F876 HydrophobicContact CD1-CD2 3.87Å; I746-F876 HydrophobicContact CD1-CE1 4.46Å; I746-F876 HydrophobicContact CD1-CE2 4.45Å; I746-F876 HydrophobicContact CD1-CG 3.57Å; I746-F876 HydrophobicContact CG1-CD1 4.18Å; I746-F876 HydrophobicContact CG1-CE1 4.43Å; I746-F876 HydrophobicContact CG1-CG 4.35Å; I746-F876 HydrophobicContact CG2-CE1 4.41Å; I746-F876 HydrophobicContact CG2-CE2 4.35Å; I746-F876 HydrophobicContact CG2-CZ 4.13Å; I746-W884 HydrophobicContact CD1-CZ3 4.22Å; I746-W884 HydrophobicContact CG1-CE3 4.18Å; I746-W884 HydrophobicContact CG1-CZ3 4.06Å; I746-V888 HydrophobicContact CG2-CG2 4.27Å
747A93.5Very high88.3Confident0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-58.7-43.5177.400000112.4L729 A743 Q744 V750 L751 I790 L824L729-A747 HydrophobicContact CD1-CB 4.4Å; L729-A747 HydrophobicContact CD2-CB 3.94Å; L729-A747 HydrophobicContact CG-CB 4.39Å; A743-A747 WeakPolarHBondContact O-CB 3.26Å; A743-A747 PolarHBondContact O-N 3.25Å; Q744-A747 PolarHBondContact O-N 3.44Å; A747-V750 PolarHBondContact O-N 3.5Å; A747-L751 WeakPolarHBondContact O-CB 3.07Å; A747-L751 PolarHBondContact O-N 3.14Å; A747-I790 HydrophobicContact CB-CD1 4.06Å; A747-I790 HydrophobicContact CB-CG2 4.08Å; A747-L824 HydrophobicContact CB-CD1 3.62Å
748L92.8Very high88.7Confident22 Ų2243 Ų4312%0.11521%0.21CC..Hα-helixtrans-65.6-38.2176.8-69.6171.4000112.1V446 Q744 K745 I746 L751 K752 K787 I790 K791V446-L748 HydrophobicContact CG1-CD1 4.22Å; Q744-L748 WeakPolarHBondContact O-CB 3.18Å; Q744-L748 VanDerWaalsContact O-CG 3.27Å; Q744-L748 WeakPolarHBondContact O-CG 3.32Å; Q744-L748 PolarHBondContact O-N 3.01Å; K745-L748 PolarHBondContact O-N 3.19Å; I746-L748 VanDerWaalsContact C-N 3.34Å; I746-L748 PolarHBondContact O-N 3Å; L748-L751 WeakPolarHBondContact O-CB 3.38Å; L748-L751 PolarHBondContact O-N 3.22Å; L748-K752 PolarHBondContact O-N 2.86Å; L748-K752 VanDerWaalsContact O-N 3.09Å; L748-K787 HydrophobicContact CD2-CB 4.32Å; L748-K787 HydrophobicContact CD2-CG 3.99Å; L748-I790 HydrophobicContact CD2-CB 4.4Å; L748-I790 HydrophobicContact CD2-CD1 4.2Å; L748-I790 HydrophobicContact CD2-CG2 4.25Å; L748-I790 HydrophobicContact CG-CG2 4.14Å; L748-K791 HydrophobicContact CD1-CG 4.45Å
749Q90.7Very high89.2Confident36 Ų3641.9 Ų41.917%0.16820%0.204CC..Hα-helixtrans-67.1-39.8175-74.2-67.2-10.100112.1L450 K745 I746 L751 K752 N753 V888L450-Q749 HydrophobicContact CD1-CG 4.12Å; K745-Q749 WeakPolarHBondContact O-CG 3.15Å; K745-Q749 PolarHBondContact O-N 2.75Å; I746-Q749 PolarHBondContact O-N 2.6Å; Q749-L751 VanDerWaalsContact C-N 3.35Å; Q749-K752 PolarHBondContact O-N 2.94Å; Q749-N753 PolarHBondContact O-N 3.15Å; Q749-N753 PolarHBondContact O-ND2 3.02Å; Q749-V888 HydrophobicContact CB-CG1 4.26Å; Q749-V888 HydrophobicContact CB-CG2 4.25Å
750V93.3Very high89.7Confident2 Ų241.1 Ų41.11%0.01220%0.198CC..Hα-helixtrans-60.5-47.8173.21720000109.9L727 I746 A747 K752 N753 L754 L822 V888 V892 M895L727-V750 HydrophobicContact CD2-CG1 3.97Å; I746-V750 HydrophobicContact CG2-CG2 4.38Å; I746-V750 VanDerWaalsContact O-CG2 3.32Å; I746-V750 WeakPolarHBondContact O-CG2 3.29Å; I746-V750 PolarHBondContact O-N 3.26Å; A747-V750 PolarHBondContact O-N 3.5Å; V750-K752 PolarHBondContact O-N 3.15Å; V750-N753 PolarHBondContact O-N 2.82Å; V750-L754 HydrophobicContact CG1-CD1 4.16Å; V750-L754 HydrophobicContact CG1-CG 4.24Å; V750-L754 WeakPolarHBondContact O-CG 3.47Å; V750-L754 PolarHBondContact O-N 3.27Å; V750-L822 HydrophobicContact CB-CD2 4.21Å; V750-L822 HydrophobicContact CG1-CD2 3.73Å; V750-L822 HydrophobicContact CG2-CD2 3.62Å; V750-V888 HydrophobicContact CB-CG1 4.48Å; V750-V888 HydrophobicContact CG2-CG1 3.85Å; V750-V892 HydrophobicContact CG1-CG2 4.19Å; V750-M895 HydrophobicContact CG1-CE 4.3Å
751L92.3Very high90.1Very high1 Ų140.6 Ų40.61%0.00520%0.195CC..Hα-helixtrans-57.4-34178.5-166.871.4000113A747 L748 Q749 I760 L779 Q783 A786 K787 I790A747-L751 WeakPolarHBondContact O-CB 3.07Å; A747-L751 PolarHBondContact O-N 3.14Å; L748-L751 WeakPolarHBondContact O-CB 3.38Å; L748-L751 PolarHBondContact O-N 3.22Å; Q749-L751 VanDerWaalsContact C-N 3.35Å; L751-I760 HydrophobicContact CD1-CD1 3.2Å; L751-L779 HydrophobicContact CD1-CD1 3.36Å; L751-L779 HydrophobicContact CG-CD1 4.14Å; L751-Q783 HydrophobicContact CD2-CG 4.35Å; L751-A786 HydrophobicContact CD1-CB 4.49Å; L751-A786 HydrophobicContact CD2-CB 4.28Å; L751-K787 HydrophobicContact CD2-CD 4.41Å; L751-K787 HydrophobicContact CD2-CG 3.46Å; L751-K787 VanDerWaalsContact CD2-CG 3.46Å; L751-I790 HydrophobicContact CD2-CD1 4.49Å
752K90.9Very high90.6Very high127 Ų12737.5 Ų37.555%0.55218%0.181SC*.Hα-helixtrans-72.4-31.5176.8-176.1177.3175.6175.10113E451 L748 Q749 V750E451-K752 IonicContact OE1-NZ 3.79Å; E451-K752 PolarHBondContact OE1-NZ 3.13Å; L748-K752 PolarHBondContact O-N 2.86Å; L748-K752 VanDerWaalsContact O-N 3.09Å; Q749-K752 PolarHBondContact O-N 2.94Å; V750-K752 PolarHBondContact O-N 3.15Å
753N91Very high91Very high67 Ų6737 Ų3736%0.35818%0.178SC..Hα-helixtrans-92.8-13.4-176-74.9-70.5000113.8Q749 V750 V888 V892Q749-N753 PolarHBondContact O-N 3.15Å; Q749-N753 PolarHBondContact O-ND2 3.02Å; V750-N753 PolarHBondContact O-N 2.82Å; N753-V888 HydrophobicContact CB-CG1 4.46Å; N753-V892 HydrophobicContact CB-CG2 4.08Å
754L91.1Very high91.1Very high9 Ų937.8 Ų37.85%0.04718%0.182CC..SBendtrans-68.3147.6173.8-72.6172.3000111.5V725 V750 I760 L779 V892 M895V725-L754 HydrophobicContact CB-CD1 4.46Å; V725-L754 HydrophobicContact CG1-CD1 4.13Å; V725-L754 HydrophobicContact CG2-CD2 4.05Å; V750-L754 HydrophobicContact CG1-CD1 4.16Å; V750-L754 HydrophobicContact CG1-CG 4.24Å; V750-L754 WeakPolarHBondContact O-CG 3.47Å; V750-L754 PolarHBondContact O-N 3.27Å; L754-I760 HydrophobicContact CD1-CD1 4.08Å; L754-L779 HydrophobicContact CB-CD2 3.77Å; L754-V892 HydrophobicContact CD2-CG1 4.1Å; L754-V892 HydrophobicContact CD2-CG2 4.43Å; L754-M895 HydrophobicContact CD2-CE 4.29Å
755K87.1Confident91Very high131 Ų13136.6 Ų36.657%0.5718%0.177SC*.  trans-71.7147.5173.2-61.2179.9-178.1177.10110.6D757 V758K755-D757 WeakPolarHBondContact CB-OD1 3.34Å; K755-D757 PolarHBondContact O-N 3.48Å; K755-V758 HydrophobicContact CB-CG2 4.19Å; K755-V758 WeakPolarHBondContact O-CB 3.41Å; K755-V758 PolarHBondContact O-N 3.4Å
756N84.1Confident90.7Very high105 Ų10535.4 Ų35.456%0.56117%0.173SC*.THydrogen-bonded Turntrans-66-21.7-174.9-67.9-12.2000114.5D780N756-D780 HydrophobicContact CB-CB 4.41Å; N756-D780 PolarHBondContact O-N 2.93Å
757D84.8Confident89.8Confident121 Ų12136.7 Ų36.765%0.64718%0.181SC*.THydrogen-bonded Turntrans-84.7-6.5-178.262.8-25000114K755K755-D757 WeakPolarHBondContact CB-OD1 3.34Å; K755-D757 PolarHBondContact O-N 3.48Å
758V89.3Confident88.8Confident12 Ų1240.1 Ų40.17%0.07320%0.199CC..SBendtrans-74.4138.9-179.2172.80000110.6V725 K755 L779V725-V758 HydrophobicContact CB-CG1 4.02Å; V725-V758 HydrophobicContact CG2-CG1 3.59Å; K755-V758 HydrophobicContact CB-CG2 4.19Å; K755-V758 WeakPolarHBondContact O-CB 3.41Å; K755-V758 PolarHBondContact O-N 3.4Å; V758-L779 WeakPolarHBondContact O-CB 3.06Å; V758-L779 PolarHBondContact O-N 2.87Å
759K91.3Very high88.3Confident85 Ų8542.1 Ų42.137%0.3721%0.208SC..EExtended strand (participates in β ladder)trans-80.5129.5169.5-65.3-177.2-177.41790109.6S723 E724 V725 A776 Q777S723-K759 PolarHBondContact O-N 2.78Å; E724-K759 CarbonylContact C-O 3.57Å; E724-K759 WeakPolarHBondContact CA-O 3.41Å; E724-K759 HydrophobicContact CG-CB 4.39Å; V725-K759 PolarHBondContact N-O 2.85Å; K759-A776 HydrophobicContact CB-CB 3.94Å; K759-Q777 CarbonylContact C-O 3.56Å; K759-Q777 VanDerWaalsContact CA-O 3.26Å; K759-Q777 WeakPolarHBondContact CA-O 3.35Å
760I93.9Very high88Confident0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-120.3141.9-178.2-163.9169.6000112.6V725 L727 L751 L754 A776 Q777 L779 V782V725-I760 VanDerWaalsContact O-CA 3.25Å; V725-I760 WeakPolarHBondContact O-CA 3.37Å; L727-I760 HydrophobicContact CD1-CD1 4.19Å; L727-I760 HydrophobicContact CG-CD1 4.4Å; L751-I760 HydrophobicContact CD1-CD1 3.2Å; L754-I760 HydrophobicContact CD1-CD1 4.08Å; I760-A776 WeakPolarHBondContact O-CA 3.5Å; I760-Q777 PolarHBondContact N-O 3.2Å; I760-Q777 PolarHBondContact O-N 3.4Å; I760-L779 HydrophobicContact CD1-CD1 4.22Å; I760-L779 HydrophobicContact CG2-CB 4.29Å; I760-L779 HydrophobicContact CG2-CD1 3.96Å; I760-V782 HydrophobicContact CG2-CG2 3.86Å
761N94.7Very high87.8Confident3 Ų347.2 Ų47.22%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-132.6159.6158.9-1616.8000110.1V725 V726 L727 E771 F773 A776V725-N761 PolarHBondContact O-N 3.24Å; V726-N761 WeakPolarHBondContact CA-O 3.49Å; V726-N761 HydrophobicContact CG1-CB 4.33Å; V726-N761 HydrophobicContact CG2-CB 4.27Å; L727-N761 PolarHBondContact N-O 3.4Å; N761-E771 PolarHBondContact ND2-OE2 2.77Å; N761-F773 PolarHBondContact ND2-O 3.11Å; N761-F773 VanDerWaalsContact ND2-O 3.15Å; N761-F773 WeakPolarHBondContact OD1-CD2 3.17Å; N761-F773 PolarHBondContact OD1-N 3.17Å; N761-F773 PolarHBondContact OD1-O 2.92Å; N761-A776 HydrophobicContact CB-CB 4.22Å
762I96.1Very high87.7Confident0 Ų048.4 Ų48.40%025%0.247CC..EExtended strand (participates in β ladder)trans-131.8126.1-179.9-53.8178.2000107.7L727 L729 L764 E771 A772 A786 F789 I790L727-I762 HydrophobicContact CB-CG1 4.35Å; L727-I762 HydrophobicContact CB-CG2 4.36Å; L727-I762 HydrophobicContact CD1-CD1 4.46Å; L727-I762 HydrophobicContact CD1-CG1 4.3Å; L727-I762 WeakPolarHBondContact O-CA 3.39Å; L729-I762 HydrophobicContact CD1-CG2 3.73Å; I762-L764 HydrophobicContact CG2-CD2 4.48Å; I762-E771 CarbonylContact O-C 3.56Å; I762-E771 WeakPolarHBondContact O-CA 3.39Å; I762-A772 HydrophobicContact CB-CB 3.98Å; I762-A772 PolarHBondContact O-N 3.49Å; I762-A786 HydrophobicContact CD1-CB 3.61Å; I762-F789 HydrophobicContact CB-CD1 4.04Å; I762-F789 HydrophobicContact CB-CE1 4.33Å; I762-F789 HydrophobicContact CG2-CD1 3.83Å; I762-F789 HydrophobicContact CG2-CE1 4.11Å; I762-I790 HydrophobicContact CD1-CD1 3.7Å; I762-I790 HydrophobicContact CD1-CG1 3.73Å; I762-I790 HydrophobicContact CG2-CG1 4.17Å
763V94.3Very high87.7Confident0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-119.4118.3179.4-171.80000108.1V726 L727 L728 L729 H769 T770 E771 P805V726-V763 HydrophobicContact CG1-CG2 3.71Å; L727-V763 PolarHBondContact O-N 2.83Å; L728-V763 WeakPolarHBondContact CA-O 3.19Å; L728-V763 HydrophobicContact CD2-CB 3.72Å; L728-V763 HydrophobicContact CD2-CG1 4.37Å; L728-V763 HydrophobicContact CD2-CG2 3.9Å; L729-V763 PolarHBondContact N-O 2.83Å; V763-H769 HydrophobicContact CG1-CB 3.92Å; V763-T770 CarbonylContact C-O 3.59Å; V763-T770 WeakPolarHBondContact CA-O 3.49Å; V763-E771 HydrophobicContact CG1-CG 4.31Å; V763-E771 HydrophobicContact CG2-CG 4Å; V763-P805 HydrophobicContact CG1-CB 3.9Å
764L92.3Very high87.2Confident16 Ų1644.5 Ų44.58%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-88.6129.5166.8-53.3-177000107.2L729 T731 I762 H769 T770 F789 C793L729-L764 HydrophobicContact CB-CD2 3.73Å; L729-L764 HydrophobicContact CD2-CD2 4.09Å; L729-L764 HydrophobicContact CG-CD2 4.33Å; L729-L764 WeakPolarHBondContact O-CA 3.38Å; T731-L764 HydrophobicContact CG2-CB 3.87Å; T731-L764 HydrophobicContact CG2-CD2 4.35Å; I762-L764 HydrophobicContact CG2-CD2 4.48Å; L764-H769 CarbonylContact O-C 3.54Å; L764-H769 WeakPolarHBondContact O-CA 3.39Å; L764-T770 PolarHBondContact N-O 3.16Å; L764-T770 PolarHBondContact O-N 2.63Å; L764-F789 HydrophobicContact CD1-CD1 4.42Å; L764-F789 HydrophobicContact CD1-CE1 3.92Å; L764-F789 HydrophobicContact CD1-CZ 4Å; L764-F789 HydrophobicContact CD2-CE1 4.21Å; L764-F789 HydrophobicContact CG-CD1 4.26Å; L764-F789 HydrophobicContact CG-CE1 3.56Å; L764-F789 HydrophobicContact CG-CZ 3.96Å; L764-C793 HydrophobicContact CD1-CB 3.92Å; L764-C793 HydrophobicContact CD2-CB 4.1Å
765F88.3Confident86.9Confident1 Ų145.5 Ų45.50%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-139.6146.5-179.678.9-82000113L728 L729 D730 T731 D768 H769 T800 L802 P805 L823L728-F765 HydrophobicContact CB-CD1 4.28Å; L728-F765 HydrophobicContact CB-CE1 4Å; L729-F765 VanDerWaalsContact O-CD1 3.3Å; L729-F765 WeakPolarHBondContact O-CD1 3.45Å; L729-F765 PolarHBondContact O-N 2.88Å; D730-F765 CarbonylContact C-O 3.43Å; D730-F765 WeakPolarHBondContact CA-O 3.48Å; D730-F765 HydrophobicContact CB-CE1 3.86Å; D730-F765 HydrophobicContact CB-CE2 4.31Å; D730-F765 HydrophobicContact CB-CZ 3.61Å; T731-F765 PolarHBondContact N-O 3.39Å; T731-F765 PolarHBondContact OG1-O 3.31Å; F765-D768 CarbonylContact C-O 3.52Å; F765-D768 VanDerWaalsContact CA-O 3.29Å; F765-D768 WeakPolarHBondContact CA-O 3.33Å; F765-H769 HydrophobicContact CB-CB 3.78Å; F765-T800 HydrophobicContact CE2-CG2 3.81Å; F765-T800 HydrophobicContact CZ-CG2 4.4Å; F765-L802 HydrophobicContact CE1-CD1 4.1Å; F765-L802 HydrophobicContact CE2-CB 3.91Å; F765-L802 HydrophobicContact CE2-CD1 4.03Å; F765-L802 HydrophobicContact CZ-CB 4.35Å; F765-L802 HydrophobicContact CZ-CD1 3.77Å; F765-P805 HydrophobicContact CB-CG 4.06Å; F765-P805 HydrophobicContact CD2-CG 4.46Å; F765-P805 HydrophobicContact CG-CG 4.12Å; F765-L823 HydrophobicContact CE1-CD1 3.62Å; F765-L823 HydrophobicContact CZ-CD1 3.53Å
766G81.8Confident87Confident3 Ų340 Ų403%0.03122%0.217CC..SBendtrans-148.6-112.9171.700000107.7D768 S799 E801G766-D768 VanDerWaalsContact C-N 3.35Å; G766-D768 PolarHBondContact N-O 3.4Å; G766-S799 CarbonylContact C-O 3.55Å; G766-S799 WeakPolarHBondContact CA-O 3.44Å; G766-S799 VanDerWaalsContact O-O 3.12Å; G766-E801 VanDerWaalsContact O-CB 3.28Å; G766-E801 WeakPolarHBondContact O-CB 2.88Å; G766-E801 PolarHBondContact O-N 2.99Å
767T72.4Confident87.3Confident29 Ų2938 Ų3818%0.17820%0.204CC..SBendtrans-66.8-40.8167.4-54.20000111.2G798 S799 R804T767-G798 WeakPolarHBondContact OG1-CA 3.49Å; T767-S799 PolarHBondContact N-O 2.9Å; T767-S799 VanDerWaalsContact N-O 3.1Å; T767-S799 PolarHBondContact OG1-N 3.3Å; T767-S799 VanDerWaalsContact OG1-N 3.14Å; T767-S799 PolarHBondContact OG1-OG 2.68Å; T767-S799 VanDerWaalsContact OG1-OG 3.13Å; T767-R804 PolarHBondContact O-NH1 3.1Å
768D72.1Confident87.6Confident73 Ų7337.1 Ų37.139%0.3919%0.194SC..SBendtrans-114.9174.5173.9-66.1-36.7000110.4N108 F765 G766 R804N108-D768 VanDerWaalsContact CG-OD2 3.23Å; N108-D768 PolarHBondContact ND2-OD1 3.32Å; N108-D768 PolarHBondContact ND2-OD2 3.26Å; F765-D768 CarbonylContact C-O 3.52Å; F765-D768 VanDerWaalsContact CA-O 3.29Å; F765-D768 WeakPolarHBondContact CA-O 3.33Å; G766-D768 VanDerWaalsContact C-N 3.35Å; G766-D768 PolarHBondContact N-O 3.4Å; D768-R804 IonicContact OD1-NH1 3.32Å; D768-R804 PolarHBondContact OD1-NH1 3.35Å
769H82.4Confident87.6Confident64 Ų6436.5 Ų36.530%0.29619%0.191SC..EExtended strand (participates in β ladder)trans-130.9149.4174.869.2-70.3000111.1V763 L764 F765 P805V763-H769 HydrophobicContact CG1-CB 3.92Å; L764-H769 CarbonylContact O-C 3.54Å; L764-H769 WeakPolarHBondContact O-CA 3.39Å; F765-H769 HydrophobicContact CB-CB 3.78Å; H769-P805 HydrophobicContact CB-CB 4.23Å; H769-P805 HydrophobicContact CB-CG 4.47Å
770T84.8Confident87.6Confident78 Ų7837 Ų3748%0.47920%0.198SC..EExtended strand (participates in β ladder)trans-132.7135.4175.356.40000108.8V763 L764V763-T770 CarbonylContact C-O 3.59Å; V763-T770 WeakPolarHBondContact CA-O 3.49Å; L764-T770 PolarHBondContact N-O 3.16Å; L764-T770 PolarHBondContact O-N 2.63Å
771E88.8Confident87.5Confident66 Ų6642.6 Ų42.631%0.30822%0.224SC..EExtended strand (participates in β ladder)trans-103.6141.3179.1-52.4-165.8-163.700110.3N761 I762 V763 F773N761-E771 PolarHBondContact ND2-OE2 2.77Å; I762-E771 CarbonylContact O-C 3.56Å; I762-E771 WeakPolarHBondContact O-CA 3.39Å; V763-E771 HydrophobicContact CG1-CG 4.31Å; V763-E771 HydrophobicContact CG2-CG 4Å; E771-F773 VanDerWaalsContact C-N 3.26Å; E771-F773 WeakPolarHBondContact CB-O 3.29Å; E771-F773 PolarHBondContact O-N 3.17Å
772A90.6Very high87.4Confident26 Ų2643.2 Ų43.222%0.21523%0.228CC..SBendtrans-64.5-36.6174.700000111.5I762 F789I762-A772 HydrophobicContact CB-CB 3.98Å; I762-A772 PolarHBondContact O-N 3.49Å; A772-F789 HydrophobicContact CB-CB 4.27Å; A772-F789 HydrophobicContact CB-CD1 3.52Å; A772-F789 HydrophobicContact CB-CD2 4.2Å; A772-F789 HydrophobicContact CB-CE1 3.72Å; A772-F789 HydrophobicContact CB-CE2 4.42Å; A772-F789 HydrophobicContact CB-CG 3.74Å; A772-F789 HydrophobicContact CB-CZ 4.19Å
773F89.6Confident87.2Confident32 Ų3246.4 Ų46.414%0.1424%0.243CC..SBendtrans-136.4148.1-176.3-44.6-66.4000109.5N761 E771 S775 Q777 V782 E785 A786N761-F773 PolarHBondContact ND2-O 3.11Å; N761-F773 VanDerWaalsContact ND2-O 3.15Å; N761-F773 WeakPolarHBondContact OD1-CD2 3.17Å; N761-F773 PolarHBondContact OD1-N 3.17Å; N761-F773 PolarHBondContact OD1-O 2.92Å; E771-F773 VanDerWaalsContact C-N 3.26Å; E771-F773 WeakPolarHBondContact CB-O 3.29Å; E771-F773 PolarHBondContact O-N 3.17Å; F773-S775 VanDerWaalsContact CB-O 3.28Å; F773-S775 WeakPolarHBondContact CB-O 3.47Å; F773-S775 PolarHBondContact O-N 3.31Å; F773-Q777 HydrophobicContact CB-CG 4.21Å; F773-Q777 HydrophobicContact CD1-CG 4.49Å; F773-Q777 HydrophobicContact CG-CG 4.19Å; F773-V782 HydrophobicContact CE1-CB 3.88Å; F773-V782 HydrophobicContact CE1-CG1 4.08Å; F773-V782 HydrophobicContact CE1-CG2 4.29Å; F773-V782 HydrophobicContact CE2-CB 4.23Å; F773-V782 HydrophobicContact CE2-CG2 3.75Å; F773-V782 HydrophobicContact CZ-CB 3.57Å; F773-V782 HydrophobicContact CZ-CG1 4.23Å; F773-V782 HydrophobicContact CZ-CG2 3.6Å; F773-E785 HydrophobicContact CE1-CB 4.03Å; F773-E785 HydrophobicContact CZ-CB 4.2Å; F773-A786 HydrophobicContact CE2-CB 4.48Å; F773-A786 HydrophobicContact CZ-CB 4.28Å
774L82.3Confident87.1Confident80 Ų8049.7 Ų49.742%0.41927%0.269SS..SBendtrans-63.4-23.1176.5-170.465.2000113.2M7 Y68 K69M7-L774 HydrophobicContact CE-CD1 3.64Å; M7-L774 HydrophobicContact CE-CG 3.91Å; M7-L774 HydrophobicContact CG-CD1 4.42Å; M7-L774 HydrophobicContact SD-CD1 3.55Å; M7-L774 VanDerWaalsContact SD-CD1 3.55Å; M7-L774 HydrophobicContact SD-CD2 4.34Å; M7-L774 HydrophobicContact SD-CG 4.02Å; Y68-L774 HydrophobicContact CD1-CD2 4.37Å; K69-L774 HydrophobicContact CD-CD2 4.14Å; K69-L774 HydrophobicContact CG-CD2 3.43Å; K69-L774 VanDerWaalsContact CG-CD2 3.43Å
775S84.2Confident87.2Confident30 Ų3053.8 Ų53.821%0.2129%0.288CS..SBendtrans-152.7158.9173.6650000109.2K69 F773 Q777K69-S775 PolarHBondContact NZ-OG 3.1Å; F773-S775 VanDerWaalsContact CB-O 3.28Å; F773-S775 WeakPolarHBondContact CB-O 3.47Å; F773-S775 PolarHBondContact O-N 3.31Å; S775-Q777 WeakPolarHBondContact O-CG 3.3Å; S775-Q777 PolarHBondContact O-N 3.05Å
776A88.8Confident87.4Confident16 Ų1653.8 Ų53.813%0.13229%0.288CS..  trans-57.8131.6175.400000112.1E724 K759 I760 N761E724-A776 HydrophobicContact CG-CB 3.57Å; K759-A776 HydrophobicContact CB-CB 3.94Å; I760-A776 WeakPolarHBondContact O-CA 3.5Å; N761-A776 HydrophobicContact CB-CB 4.22Å
777Q89.9Confident88Confident64 Ų6457.1 Ų57.130%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-116.1157.5-177.6-63.3-64.7-10.400110.2K759 I760 F773 S775 L779 V782K759-Q777 CarbonylContact C-O 3.56Å; K759-Q777 VanDerWaalsContact CA-O 3.26Å; K759-Q777 WeakPolarHBondContact CA-O 3.35Å; I760-Q777 PolarHBondContact N-O 3.2Å; I760-Q777 PolarHBondContact O-N 3.4Å; F773-Q777 HydrophobicContact CB-CG 4.21Å; F773-Q777 HydrophobicContact CD1-CG 4.49Å; F773-Q777 HydrophobicContact CG-CG 4.19Å; S775-Q777 WeakPolarHBondContact O-CG 3.3Å; S775-Q777 PolarHBondContact O-N 3.05Å; Q777-L779 PolarHBondContact O-N 3.26Å; Q777-V782 HydrophobicContact CB-CB 4.4Å; Q777-V782 HydrophobicContact CB-CG1 3.62Å; Q777-V782 HydrophobicContact CB-CG2 3.88Å; Q777-V782 HydrophobicContact CG-CG1 4.09Å
778K91.4Very high88.9Confident101 Ų10163.3 Ų63.344%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-64.4135.7177.8-65.5-178.1179.7170.90111.1D780 E781 V782K778-D780 VanDerWaalsContact C-N 3.3Å; K778-D780 WeakPolarHBondContact CB-OD1 3.44Å; K778-D780 PolarHBondContact O-N 3.43Å; K778-E781 HydrophobicContact CB-CG 4.42Å; K778-E781 PolarHBondContact O-N 2.73Å; K778-E781 VanDerWaalsContact O-N 3.13Å; K778-V782 WeakPolarHBondContact O-CG2 3.03Å; K778-V782 PolarHBondContact O-N 2.98Å
779L90.3Very high89.9Confident0 Ų061.9 Ų61.90%032%0.317CS..Hα-helixtrans-60.4-37.6-173.2176.359.7000113L751 L754 V758 I760 Q777 E781 V782 Q783L751-L779 HydrophobicContact CD1-CD1 3.36Å; L751-L779 HydrophobicContact CG-CD1 4.14Å; L754-L779 HydrophobicContact CB-CD2 3.77Å; V758-L779 WeakPolarHBondContact O-CB 3.06Å; V758-L779 PolarHBondContact O-N 2.87Å; I760-L779 HydrophobicContact CD1-CD1 4.22Å; I760-L779 HydrophobicContact CG2-CB 4.29Å; I760-L779 HydrophobicContact CG2-CD1 3.96Å; Q777-L779 PolarHBondContact O-N 3.26Å; L779-E781 VanDerWaalsContact C-N 3.26Å; L779-E781 PolarHBondContact O-N 3.11Å; L779-V782 PolarHBondContact O-N 3.14Å; L779-Q783 HydrophobicContact CD1-CB 4.37Å; L779-Q783 HydrophobicContact CD1-CG 4.14Å; L779-Q783 WeakPolarHBondContact O-CB 3.32Å; L779-Q783 PolarHBondContact O-N 3.36Å
780D89.9Confident90.3Very high96 Ų9658.9 Ų58.951%0.51330%0.303SS..Hα-helixtrans-61.4-31.6177.660.3-16.2000113.7N756 K778N756-D780 HydrophobicContact CB-CB 4.41Å; N756-D780 PolarHBondContact O-N 2.93Å; K778-D780 VanDerWaalsContact C-N 3.3Å; K778-D780 WeakPolarHBondContact CB-OD1 3.44Å; K778-D780 PolarHBondContact O-N 3.43Å
781E92.6Very high90.5Very high116 Ų11659.3 Ų59.354%0.54230%0.298SS..Hα-helixtrans-81.3-32.9-179.8-68.1170.9-165.900113K778 L779K778-E781 HydrophobicContact CB-CG 4.42Å; K778-E781 PolarHBondContact O-N 2.73Å; K778-E781 VanDerWaalsContact O-N 3.13Å; L779-E781 VanDerWaalsContact C-N 3.26Å; L779-E781 PolarHBondContact O-N 3.11Å
782V93.6Very high90.3Very high17 Ų1759.8 Ų59.810%0.10331%0.309CS..Hα-helixtrans-119.812.5-169.9-56.80000115.1I760 F773 Q777 K778 L779 A784 E785 A786I760-V782 HydrophobicContact CG2-CG2 3.86Å; F773-V782 HydrophobicContact CE1-CB 3.88Å; F773-V782 HydrophobicContact CE1-CG1 4.08Å; F773-V782 HydrophobicContact CE1-CG2 4.29Å; F773-V782 HydrophobicContact CE2-CB 4.23Å; F773-V782 HydrophobicContact CE2-CG2 3.75Å; F773-V782 HydrophobicContact CZ-CB 3.57Å; F773-V782 HydrophobicContact CZ-CG1 4.23Å; F773-V782 HydrophobicContact CZ-CG2 3.6Å; Q777-V782 HydrophobicContact CB-CB 4.4Å; Q777-V782 HydrophobicContact CB-CG1 3.62Å; Q777-V782 HydrophobicContact CB-CG2 3.88Å; Q777-V782 HydrophobicContact CG-CG1 4.09Å; K778-V782 WeakPolarHBondContact O-CG2 3.03Å; K778-V782 PolarHBondContact O-N 2.98Å; L779-V782 PolarHBondContact O-N 3.14Å; V782-A784 VanDerWaalsContact C-N 3.27Å; V782-A784 PolarHBondContact O-N 2.89Å; V782-E785 WeakPolarHBondContact CA-OE2 3.49Å; V782-E785 PolarHBondContact O-N 3.01Å; V782-A786 VanDerWaalsContact O-CB 3.24Å; V782-A786 WeakPolarHBondContact O-CB 3.29Å; V782-A786 PolarHBondContact O-N 3.5Å
783Q91.7Very high89.8Confident67 Ų6759 Ų5931%0.31330%0.301SS..Hα-helixtrans-57.8-38.6-173.5-160.8-176.830.300113L751 L779 K787L751-Q783 HydrophobicContact CD2-CG 4.35Å; L779-Q783 HydrophobicContact CD1-CB 4.37Å; L779-Q783 HydrophobicContact CD1-CG 4.14Å; L779-Q783 WeakPolarHBondContact O-CB 3.32Å; L779-Q783 PolarHBondContact O-N 3.36Å; Q783-K787 VanDerWaalsContact O-CG 3.32Å; Q783-K787 WeakPolarHBondContact O-CG 3.34Å; Q783-K787 PolarHBondContact O-N 3.13Å
784A92.1Very high89Confident68 Ų6859.9 Ų59.956%0.56231%0.312SS*.Hα-helixtrans-71.6-44.1-177.500000111.5V782 K787 K788V782-A784 VanDerWaalsContact C-N 3.27Å; V782-A784 PolarHBondContact O-N 2.89Å; A784-K787 PolarHBondContact O-N 2.77Å; A784-K788 WeakPolarHBondContact O-CB 3.28Å; A784-K788 PolarHBondContact O-N 2.91Å
785E93.4Very high88.1Confident103 Ų10357.4 Ų57.448%0.48130%0.301SS..Hα-helixtrans-62-45.4175.4-67.473.1-162.400110.6F773 V782 K787 K788 F789F773-E785 HydrophobicContact CE1-CB 4.03Å; F773-E785 HydrophobicContact CZ-CB 4.2Å; V782-E785 WeakPolarHBondContact CA-OE2 3.49Å; V782-E785 PolarHBondContact O-N 3.01Å; E785-K787 PolarHBondContact O-N 2.91Å; E785-K788 PolarHBondContact O-N 2.79Å; E785-F789 WeakPolarHBondContact O-CB 3.49Å; E785-F789 PolarHBondContact O-N 3.35Å
786A93Very high86.8Confident0 Ų059.1 Ų59.10%031%0.31CS..Hα-helixtrans-57.8-48.5175.700000112.1L751 I762 F773 V782 K788 F789 I790L751-A786 HydrophobicContact CD1-CB 4.49Å; L751-A786 HydrophobicContact CD2-CB 4.28Å; I762-A786 HydrophobicContact CD1-CB 3.61Å; F773-A786 HydrophobicContact CE2-CB 4.48Å; F773-A786 HydrophobicContact CZ-CB 4.28Å; V782-A786 VanDerWaalsContact O-CB 3.24Å; V782-A786 WeakPolarHBondContact O-CB 3.29Å; V782-A786 PolarHBondContact O-N 3.5Å; A786-K788 VanDerWaalsContact C-N 3.34Å; A786-K788 PolarHBondContact O-N 3.21Å; A786-F789 PolarHBondContact O-N 2.99Å; A786-I790 WeakPolarHBondContact O-CG1 3.28Å; A786-I790 PolarHBondContact O-N 2.87Å
787K93.2Very high85.1Confident73 Ų7359.7 Ų59.732%0.31732%0.317SS..Hα-helixtrans-60.3-44.1175.4-75.6177.2-178.4175.80111.7L748 L751 Q783 A784 E785 F789 I790 K791L748-K787 HydrophobicContact CD2-CB 4.32Å; L748-K787 HydrophobicContact CD2-CG 3.99Å; L751-K787 HydrophobicContact CD2-CD 4.41Å; L751-K787 HydrophobicContact CD2-CG 3.46Å; L751-K787 VanDerWaalsContact CD2-CG 3.46Å; Q783-K787 VanDerWaalsContact O-CG 3.32Å; Q783-K787 WeakPolarHBondContact O-CG 3.34Å; Q783-K787 PolarHBondContact O-N 3.13Å; A784-K787 PolarHBondContact O-N 2.77Å; E785-K787 PolarHBondContact O-N 2.91Å; K787-F789 VanDerWaalsContact C-N 3.33Å; K787-I790 PolarHBondContact O-N 3.23Å; K787-K791 WeakPolarHBondContact O-CB 3.24Å; K787-K791 VanDerWaalsContact O-CG 3.31Å; K787-K791 WeakPolarHBondContact O-CG 3.43Å; K787-K791 PolarHBondContact O-N 2.94Å
788K92.7Very high83.9Confident160 Ų16056.9 Ų56.970%0.69631%0.305SS*.Hα-helixtrans-62.6-42.1178.8-174.8-178177-173.90111.1A784 E785 A786 K791 S792A784-K788 WeakPolarHBondContact O-CB 3.28Å; A784-K788 PolarHBondContact O-N 2.91Å; E785-K788 PolarHBondContact O-N 2.79Å; A786-K788 VanDerWaalsContact C-N 3.34Å; A786-K788 PolarHBondContact O-N 3.21Å; K788-K791 PolarHBondContact O-N 2.78Å; K788-S792 WeakPolarHBondContact O-CB 3.33Å; K788-S792 PolarHBondContact O-N 3.15Å; K788-S792 PolarHBondContact O-OG 2.85Å
789F92.5Very high82.8Confident43 Ų4352.2 Ų52.219%0.18929%0.285CS..Hα-helixtrans-63.9-47.1178.6-168.7-105.2000111.8I762 L764 A772 E785 A786 K787 K791 S792 C793I762-F789 HydrophobicContact CB-CD1 4.04Å; I762-F789 HydrophobicContact CB-CE1 4.33Å; I762-F789 HydrophobicContact CG2-CD1 3.83Å; I762-F789 HydrophobicContact CG2-CE1 4.11Å; L764-F789 HydrophobicContact CD1-CD1 4.42Å; L764-F789 HydrophobicContact CD1-CE1 3.92Å; L764-F789 HydrophobicContact CD1-CZ 4Å; L764-F789 HydrophobicContact CD2-CE1 4.21Å; L764-F789 HydrophobicContact CG-CD1 4.26Å; L764-F789 HydrophobicContact CG-CE1 3.56Å; L764-F789 HydrophobicContact CG-CZ 3.96Å; A772-F789 HydrophobicContact CB-CB 4.27Å; A772-F789 HydrophobicContact CB-CD1 3.52Å; A772-F789 HydrophobicContact CB-CD2 4.2Å; A772-F789 HydrophobicContact CB-CE1 3.72Å; A772-F789 HydrophobicContact CB-CE2 4.42Å; A772-F789 HydrophobicContact CB-CG 3.74Å; A772-F789 HydrophobicContact CB-CZ 4.19Å; E785-F789 WeakPolarHBondContact O-CB 3.49Å; E785-F789 PolarHBondContact O-N 3.35Å; A786-F789 PolarHBondContact O-N 2.99Å; K787-F789 VanDerWaalsContact C-N 3.33Å; F789-K791 VanDerWaalsContact C-N 3.34Å; F789-K791 PolarHBondContact O-N 3.39Å; F789-S792 WeakPolarHBondContact CA-OG 3.49Å; F789-S792 PolarHBondContact O-N 3.34Å; F789-S792 VanDerWaalsContact O-N 3.14Å; F789-S792 PolarHBondContact O-OG 3.04Å; F789-C793 PolarHBondContact O-N 3.31Å
790I91.8Very high82.3Confident0 Ų052.4 Ų52.40%029%0.287CS..Hα-helixtrans-57.6-46.5173.9-65.7164.6000111.1L727 L729 Q744 A747 L748 L751 I762 A786 K787 S792 C793L727-I790 HydrophobicContact CD1-CD1 4.41Å; L729-I790 HydrophobicContact CD2-CG1 4.44Å; L729-I790 HydrophobicContact CD2-CG2 4.09Å; Q744-I790 HydrophobicContact CB-CG2 4.19Å; Q744-I790 HydrophobicContact CG-CG2 4.2Å; Q744-I790 PolarHBondContact NE2-O 2.88Å; A747-I790 HydrophobicContact CB-CD1 4.06Å; A747-I790 HydrophobicContact CB-CG2 4.08Å; L748-I790 HydrophobicContact CD2-CB 4.4Å; L748-I790 HydrophobicContact CD2-CD1 4.2Å; L748-I790 HydrophobicContact CD2-CG2 4.25Å; L748-I790 HydrophobicContact CG-CG2 4.14Å; L751-I790 HydrophobicContact CD2-CD1 4.49Å; I762-I790 HydrophobicContact CD1-CD1 3.7Å; I762-I790 HydrophobicContact CD1-CG1 3.73Å; I762-I790 HydrophobicContact CG2-CG1 4.17Å; A786-I790 WeakPolarHBondContact O-CG1 3.28Å; A786-I790 PolarHBondContact O-N 2.87Å; K787-I790 PolarHBondContact O-N 3.23Å; I790-S792 VanDerWaalsContact C-N 3.26Å; I790-S792 PolarHBondContact O-N 3.25Å; I790-C793 WeakPolarHBondContact O-CB 3.44Å; I790-C793 PolarHBondContact O-N 3.42Å
791K88.4Confident81.9Confident88 Ų8847.9 Ų47.938%0.38326%0.263SS..Hα-helixtrans-67.9-24.7-179.7-71.4-179-178.4-171.20112.9E447 L748 K787 K788 F789 C793E447-K791 IonicContact OE1-NZ 3.81Å; E447-K791 PolarHBondContact OE1-NZ 2.97Å; L748-K791 HydrophobicContact CD1-CG 4.45Å; K787-K791 WeakPolarHBondContact O-CB 3.24Å; K787-K791 VanDerWaalsContact O-CG 3.31Å; K787-K791 WeakPolarHBondContact O-CG 3.43Å; K787-K791 PolarHBondContact O-N 2.94Å; K788-K791 PolarHBondContact O-N 2.78Å; F789-K791 VanDerWaalsContact C-N 3.34Å; F789-K791 PolarHBondContact O-N 3.39Å; K791-C793 PolarHBondContact O-N 3.06Å
792S85.1Confident81.7Confident76 Ų7642.4 Ų42.453%0.53124%0.237SC..THydrogen-bonded Turntrans-78.6-8.317772.10000113.9K788 F789 I790 S794K788-S792 WeakPolarHBondContact O-CB 3.33Å; K788-S792 PolarHBondContact O-N 3.15Å; K788-S792 PolarHBondContact O-OG 2.85Å; F789-S792 WeakPolarHBondContact CA-OG 3.49Å; F789-S792 PolarHBondContact O-N 3.34Å; F789-S792 VanDerWaalsContact O-N 3.14Å; F789-S792 PolarHBondContact O-OG 3.04Å; I790-S792 VanDerWaalsContact C-N 3.26Å; I790-S792 PolarHBondContact O-N 3.25Å; S792-S794 PolarHBondContact O-N 2.8Å
793C78.9Confident81.3Confident9 Ų942.4 Ų42.46%0.06124%0.235CC..  trans-62.9122.4-179178.70000111.5T731 Q744 L764 F789 I790 K791T731-C793 WeakPolarHBondContact CG2-SG 3.09Å; Q744-C793 PolarHBondContact NE2-O 3.09Å; L764-C793 HydrophobicContact CD1-CB 3.92Å; L764-C793 HydrophobicContact CD2-CB 4.1Å; F789-C793 PolarHBondContact O-N 3.31Å; I790-C793 WeakPolarHBondContact O-CB 3.44Å; I790-C793 PolarHBondContact O-N 3.42Å; K791-C793 PolarHBondContact O-N 3.06Å
794S72.5Confident80.8Confident51 Ų5140.9 Ų40.936%0.35723%0.226SC..  trans-116.4153.7170.356.70000109.4S792 V796S792-S794 PolarHBondContact O-N 2.8Å; S794-V796 WeakPolarHBondContact O-CG2 3.41Å; S794-V796 PolarHBondContact O-N 2.96Å
795S63.2Low80.6Confident27 Ų2737.7 Ų37.719%0.18920%0.2CC..  trans-59.4111167.5179.20000107.8E733E733-S795 PolarHBondContact OE2-OG 2.82Å
796V58.5Low80.5Confident67 Ų6733.1 Ų33.141%0.40618%0.179SC..  trans-95.496.3171.8-173.30000102.8I433 T731 S794I433-V796 HydrophobicContact CD1-CG1 4.22Å; T731-V796 PolarHBondContact O-N 3.28Å; S794-V796 WeakPolarHBondContact O-CG2 3.41Å; S794-V796 PolarHBondContact O-N 2.96Å
797G52.7Low80.2Confident27 Ų2735.1 Ų35.128%0.27819%0.186SC..  trans-42144.9-174.900000113.4M216M216-G797 WeakPolarHBondContact SD-CA 3.5Å
798G63.9Low79.7Confident5 Ų532.8 Ų32.85%0.05218%0.181CC..SBendtrans139.3-169.5-17500000113.5E733 T767E733-G798 PolarHBondContact N-O 3.45Å; E733-G798 VanDerWaalsContact N-O 3.17Å; T767-G798 WeakPolarHBondContact OG1-CA 3.49Å
799S68.4Low79.5Confident3 Ų325.6 Ų25.62%0.02115%0.15CC..  trans-85.1-179.5-176.452.90000114R231 S732 G766 T767R231-S799 PolarHBondContact NH2-OG 2.82Å; S732-S799 WeakPolarHBondContact CB-O 3.49Å; G766-S799 CarbonylContact C-O 3.55Å; G766-S799 WeakPolarHBondContact CA-O 3.44Å; G766-S799 VanDerWaalsContact O-O 3.12Å; T767-S799 PolarHBondContact N-O 2.9Å; T767-S799 VanDerWaalsContact N-O 3.1Å; T767-S799 PolarHBondContact OG1-N 3.3Å; T767-S799 VanDerWaalsContact OG1-N 3.14Å; T767-S799 PolarHBondContact OG1-OG 2.68Å; T767-S799 VanDerWaalsContact OG1-OG 3.13Å
800T80.6Confident79.3Confident4 Ų424 Ų243%0.02514%0.144CC..  trans-110.981.4178.1-45.60000111.8D730 S732 F765 L802 H828 I829 Q830D730-T800 WeakPolarHBondContact OD2-CG2 3.49Å; S732-T800 VanDerWaalsContact CB-OG1 3.22Å; S732-T800 WeakPolarHBondContact CB-OG1 3.32Å; S732-T800 PolarHBondContact OG-OG1 2.92Å; S732-T800 VanDerWaalsContact OG-OG1 3.05Å; F765-T800 HydrophobicContact CE2-CG2 3.81Å; F765-T800 HydrophobicContact CZ-CG2 4.4Å; T800-L802 PolarHBondContact O-N 3.45Å; T800-H828 WeakPolarHBondContact CB-O 3.4Å; T800-H828 PolarHBondContact OG1-O 2.99Å; T800-I829 HydrophobicContact CG2-CG1 4.11Å; T800-Q830 PolarHBondContact O-N 3.08Å
801E80.4Confident79Confident2 Ų224.4 Ų24.41%0.00915%0.146CC..  trans-89.359.3-175.7-63.8-6511600113.5R231 G766 W803 R804 P805 Q830R231-E801 IonicContact CZ-OE1 2.68Å; R231-E801 IonicContact CZ-OE2 3.51Å; R231-E801 IonicContact NH1-OE1 2.82Å; R231-E801 PolarHBondContact NH1-OE1 2.84Å; R231-E801 IonicContact NH1-OE2 2.76Å; R231-E801 PolarHBondContact NH1-OE2 2.96Å; R231-E801 IonicContact NH2-OE1 2.98Å; R231-E801 PolarHBondContact NH2-OE1 3.24Å; R231-E801 IonicContact NH2-OE2 3.35Å; G766-E801 VanDerWaalsContact O-CB 3.28Å; G766-E801 WeakPolarHBondContact O-CB 2.88Å; G766-E801 PolarHBondContact O-N 2.99Å; E801-W803 PolarHBondContact O-N 2.94Å; E801-W803 VanDerWaalsContact O-N 3.1Å; E801-W803 PolarHBondContact OE2-NE1 2.91Å; E801-R804 HydrophobicContact CB-CG 4.17Å; E801-R804 PolarHBondContact O-N 3.24Å; E801-R804 VanDerWaalsContact O-N 3.13Å; E801-P805 VanDerWaalsContact O-CD 3.29Å; E801-P805 WeakPolarHBondContact O-CD 3.42Å; E801-Q830 WeakPolarHBondContact OE1-CB 3.02Å; E801-Q830 WeakPolarHBondContact OE1-CG 3.39Å
802L89.4Confident78.9Confident0 Ų021.4 Ų21.40%013%0.134CC..THydrogen-bonded Turntrans-57-30.6-177-179.962.2000113.9L728 F765 T800 R804 P805 L806 L823 I829 T835 L865L728-L802 HydrophobicContact CD1-CD1 3.92Å; F765-L802 HydrophobicContact CE1-CD1 4.1Å; F765-L802 HydrophobicContact CE2-CB 3.91Å; F765-L802 HydrophobicContact CE2-CD1 4.03Å; F765-L802 HydrophobicContact CZ-CB 4.35Å; F765-L802 HydrophobicContact CZ-CD1 3.77Å; T800-L802 PolarHBondContact O-N 3.45Å; L802-R804 PolarHBondContact O-N 3.47Å; L802-P805 HydrophobicContact CD1-CG 4.41Å; L802-P805 VanDerWaalsContact O-CD 3.22Å; L802-P805 WeakPolarHBondContact O-CD 3.47Å; L802-P805 VanDerWaalsContact O-CG 3.32Å; L802-P805 WeakPolarHBondContact O-CG 3.33Å; L802-L806 HydrophobicContact CD1-CD1 4.29Å; L802-L806 HydrophobicContact CD1-CG 4.09Å; L802-L806 HydrophobicContact CD2-CD1 4.03Å; L802-L806 HydrophobicContact CG-CD1 3.7Å; L802-L806 HydrophobicContact CG-CG 4Å; L802-L806 VanDerWaalsContact O-CG 3.29Å; L802-L806 WeakPolarHBondContact O-CG 3.38Å; L802-L806 PolarHBondContact O-N 3.41Å; L802-L823 HydrophobicContact CD1-CD1 3.92Å; L802-L823 HydrophobicContact CD2-CD1 4.36Å; L802-L823 HydrophobicContact CD2-CD2 3.66Å; L802-I829 HydrophobicContact CB-CD1 4.38Å; L802-I829 HydrophobicContact CB-CG2 4.05Å; L802-I829 HydrophobicContact CD2-CD1 3.67Å; L802-T835 HydrophobicContact CB-CG2 4.43Å; L802-T835 HydrophobicContact CD2-CG2 4.07Å; L802-T835 HydrophobicContact CG-CG2 4.26Å; L802-L865 HydrophobicContact CD2-CD1 4.08Å; L802-L865 HydrophobicContact CD2-CD2 4.35Å
803W84.6Confident79Confident18 Ų1818.9 Ų18.97%0.06812%0.116CC..Hα-helixtrans-61.5-28.1-17970.8-89.2000113.1V268 E801 R807 N831V268-W803 HydrophobicContact CG2-CH2 4.34Å; V268-W803 HydrophobicContact CG2-CZ2 4.12Å; E801-W803 PolarHBondContact O-N 2.94Å; E801-W803 VanDerWaalsContact O-N 3.1Å; E801-W803 PolarHBondContact OE2-NE1 2.91Å; W803-R807 HydrophobicContact CE3-CB 4.45Å; W803-R807 WeakPolarHBondContact O-CB 3.27Å; W803-R807 PolarHBondContact O-N 3.2Å; W803-N831 PolarHBondContact NE1-ND2 3.37Å
804R81.3Confident79.2Confident35 Ų3519 Ų1913%0.13212%0.117CC..Hα-helixtrans-64-59.6-179.3-71.3-179.1157.7-160.5-14.8112.6E104 T767 D768 E801 L802 L806 R807 A808E104-R804 VanDerWaalsContact CD-NH2 3.35Å; E104-R804 IonicContact OE1-CZ 3.56Å; E104-R804 IonicContact OE1-NE 2.74Å; E104-R804 IonicContact OE1-NH2 3.46Å; E104-R804 PolarHBondContact OE1-NH2 2.88Å; T767-R804 PolarHBondContact O-NH1 3.1Å; D768-R804 IonicContact OD1-NH1 3.32Å; D768-R804 PolarHBondContact OD1-NH1 3.35Å; E801-R804 HydrophobicContact CB-CG 4.17Å; E801-R804 PolarHBondContact O-N 3.24Å; E801-R804 VanDerWaalsContact O-N 3.13Å; L802-R804 PolarHBondContact O-N 3.47Å; R804-L806 VanDerWaalsContact C-N 3.31Å; R804-L806 PolarHBondContact O-N 3.13Å; R804-R807 WeakPolarHBondContact O-CB 3.5Å; R804-R807 PolarHBondContact O-N 3.26Å; R804-R807 VanDerWaalsContact O-N 3.13Å; R804-A808 PolarHBondContact O-N 3.25Å
805P88.9Confident79.4Confident1 Ų120.3 Ų20.31%0.00613%0.126CC..Hα-helixtrans-63.5-36.8176.425.6-35.3000111.9V763 F765 H769 E801 L802 R807 A808 L809V763-P805 HydrophobicContact CG1-CB 3.9Å; F765-P805 HydrophobicContact CB-CG 4.06Å; F765-P805 HydrophobicContact CD2-CG 4.46Å; F765-P805 HydrophobicContact CG-CG 4.12Å; H769-P805 HydrophobicContact CB-CB 4.23Å; H769-P805 HydrophobicContact CB-CG 4.47Å; E801-P805 VanDerWaalsContact O-CD 3.29Å; E801-P805 WeakPolarHBondContact O-CD 3.42Å; L802-P805 HydrophobicContact CD1-CG 4.41Å; L802-P805 VanDerWaalsContact O-CD 3.22Å; L802-P805 WeakPolarHBondContact O-CD 3.47Å; L802-P805 VanDerWaalsContact O-CG 3.32Å; L802-P805 WeakPolarHBondContact O-CG 3.33Å; P805-R807 PolarHBondContact O-N 2.78Å; P805-A808 PolarHBondContact O-N 2.95Å; P805-L809 WeakPolarHBondContact O-CB 3.29Å; P805-L809 WeakPolarHBondContact O-CD1 3.32Å; P805-L809 WeakPolarHBondContact O-CG 3.22Å; P805-L809 PolarHBondContact O-N 3.35Å
806L91Very high79.9Confident7 Ų721.5 Ų21.54%0.03714%0.137CC..Hα-helixtrans-60.1-37.5174.7-70.3-178.1000112.2L728 L802 R804 S810 L821 T835 L838 L839L728-L806 HydrophobicContact CD1-CD2 3.94Å; L802-L806 HydrophobicContact CD1-CD1 4.29Å; L802-L806 HydrophobicContact CD1-CG 4.09Å; L802-L806 HydrophobicContact CD2-CD1 4.03Å; L802-L806 HydrophobicContact CG-CD1 3.7Å; L802-L806 HydrophobicContact CG-CG 4Å; L802-L806 VanDerWaalsContact O-CG 3.29Å; L802-L806 WeakPolarHBondContact O-CG 3.38Å; L802-L806 PolarHBondContact O-N 3.41Å; R804-L806 VanDerWaalsContact C-N 3.31Å; R804-L806 PolarHBondContact O-N 3.13Å; L806-S810 VanDerWaalsContact O-CB 3.32Å; L806-S810 WeakPolarHBondContact O-CB 3.3Å; L806-S810 PolarHBondContact O-N 3.47Å; L806-L821 HydrophobicContact CD2-CD1 3.44Å; L806-L821 VanDerWaalsContact CD2-CD1 3.44Å; L806-T835 HydrophobicContact CD1-CG2 3.78Å; L806-L838 HydrophobicContact CB-CD2 3.58Å; L806-L838 HydrophobicContact CB-CG 4.49Å; L806-L839 HydrophobicContact CD1-CD1 4.3Å; L806-L839 HydrophobicContact CD1-CD2 3.8Å; L806-L839 HydrophobicContact CD1-CG 3.95Å; L806-L839 HydrophobicContact CD2-CD2 4.11Å
807R85.3Confident80.9Confident41 Ų4120.3 Ų20.316%0.15514%0.139CC..Hα-helixtrans-69.6-49.5179.3-179.2177.6170.8-130.1-20.2110F4 E271 W803 R804 P805 L809 S810 L811 L838F4-R807 VanDerWaalsContact CE1-NH2 3.33Å; E271-R807 VanDerWaalsContact CD-NE 3.31Å; E271-R807 VanDerWaalsContact CD-NH1 3.25Å; E271-R807 IonicContact OE1-CZ 2.8Å; E271-R807 IonicContact OE1-NE 3.14Å; E271-R807 PolarHBondContact OE1-NE 2.9Å; E271-R807 IonicContact OE1-NH1 3.88Å; E271-R807 IonicContact OE1-NH2 3.15Å; E271-R807 PolarHBondContact OE1-NH2 2.94Å; E271-R807 IonicContact OE2-CZ 3.64Å; E271-R807 IonicContact OE2-NE 2.8Å; E271-R807 PolarHBondContact OE2-NE 2.6Å; E271-R807 IonicContact OE2-NH1 3.92Å; E271-R807 PolarHBondContact OE2-NH1 3.25Å; E271-R807 IonicContact OE2-NH2 3.68Å; E271-R807 PolarHBondContact OE2-NH2 3.47Å; W803-R807 HydrophobicContact CE3-CB 4.45Å; W803-R807 WeakPolarHBondContact O-CB 3.27Å; W803-R807 PolarHBondContact O-N 3.2Å; R804-R807 WeakPolarHBondContact O-CB 3.5Å; R804-R807 PolarHBondContact O-N 3.26Å; R804-R807 VanDerWaalsContact O-N 3.13Å; P805-R807 PolarHBondContact O-N 2.78Å; R807-L809 VanDerWaalsContact C-N 3.27Å; R807-L809 PolarHBondContact O-N 2.82Å; R807-S810 WeakPolarHBondContact CA-OG 3.44Å; R807-S810 WeakPolarHBondContact O-CB 3.41Å; R807-S810 PolarHBondContact O-N 3.1Å; R807-S810 PolarHBondContact O-OG 3.49Å; R807-L811 HydrophobicContact CG-CD1 4.5Å; R807-L811 WeakPolarHBondContact O-CG 3.28Å; R807-L811 PolarHBondContact O-N 3.2Å; R807-L811 VanDerWaalsContact O-N 3.09Å; R807-L838 HydrophobicContact CB-CD2 3.94Å
808A83.6Confident82.4Confident25 Ų2520.8 Ų20.821%0.20714%0.136CC..Hα-helixtrans-52.1-47.917500000111.3R804 P805 S810 L811 L812R804-A808 PolarHBondContact O-N 3.25Å; P805-A808 PolarHBondContact O-N 2.95Å; A808-S810 PolarHBondContact O-N 3.11Å; A808-L811 PolarHBondContact O-N 3.35Å; A808-L812 PolarHBondContact O-N 2.65Å
809L88.9Confident83.7Confident9 Ų921.2 Ų21.25%0.04714%0.136CC..Hα-helixtrans-63.7-39.8176.8-67.6169.6000112.7V726 L728 P805 R807 L811 L812 R819 L821V726-L809 HydrophobicContact CG1-CD1 4.18Å; V726-L809 HydrophobicContact CG2-CD2 4.45Å; L728-L809 HydrophobicContact CD2-CD1 4.13Å; P805-L809 WeakPolarHBondContact O-CB 3.29Å; P805-L809 WeakPolarHBondContact O-CD1 3.32Å; P805-L809 WeakPolarHBondContact O-CG 3.22Å; P805-L809 PolarHBondContact O-N 3.35Å; R807-L809 VanDerWaalsContact C-N 3.27Å; R807-L809 PolarHBondContact O-N 2.82Å; L809-L811 PolarHBondContact O-N 3.32Å; L809-L812 CarbonylContact O-C 3.59Å; L809-L812 PolarHBondContact O-N 2.89Å; L809-L812 VanDerWaalsContact O-N 3.07Å; L809-R819 PolarHBondContact O-NH1 3.05Å; L809-L821 HydrophobicContact CD1-CD2 3.78Å
810S87Confident84.9Confident9 Ų921.1 Ų21.16%0.06314%0.136CC..Hα-helixtrans-65.9-23.8178.377.50000114.2L806 R807 A808 L812 P813 N842L806-S810 VanDerWaalsContact O-CB 3.32Å; L806-S810 WeakPolarHBondContact O-CB 3.3Å; L806-S810 PolarHBondContact O-N 3.47Å; R807-S810 WeakPolarHBondContact CA-OG 3.44Å; R807-S810 WeakPolarHBondContact O-CB 3.41Å; R807-S810 PolarHBondContact O-N 3.1Å; R807-S810 PolarHBondContact O-OG 3.49Å; A808-S810 PolarHBondContact O-N 3.11Å; S810-L812 VanDerWaalsContact C-N 3.31Å; S810-P813 WeakPolarHBondContact O-CD 3.43Å; S810-N842 WeakPolarHBondContact CB-ND2 3.33Å
811L86Confident85.6Confident9 Ų921.1 Ų21.15%0.04714%0.135CC..Hα-helixtrans-80.1-19.5176.2-63.3173.8000111.1F4 L6 R32 Y34 R807 A808 L809 P813F4-L811 HydrophobicContact CB-CD1 3.93Å; F4-L811 HydrophobicContact CB-CD2 4.17Å; F4-L811 HydrophobicContact CD2-CD2 3.74Å; F4-L811 HydrophobicContact CE2-CD2 4.27Å; F4-L811 HydrophobicContact CG-CD1 4.22Å; F4-L811 HydrophobicContact CG-CD2 3.88Å; L6-L811 HydrophobicContact CD2-CB 3.27Å; L6-L811 HydrophobicContact CD2-CD1 3.7Å; L6-L811 HydrophobicContact CD2-CG 4.12Å; L6-L811 HydrophobicContact CG-CB 4.24Å; L6-L811 HydrophobicContact CG-CD1 4.49Å; R32-L811 WeakPolarHBondContact CD-O 3.37Å; Y34-L811 VanDerWaalsContact CE1-O 3.26Å; Y34-L811 WeakPolarHBondContact CE1-O 3.49Å; Y34-L811 PolarHBondContact OH-O 3.43Å; R807-L811 HydrophobicContact CG-CD1 4.5Å; R807-L811 WeakPolarHBondContact O-CG 3.28Å; R807-L811 PolarHBondContact O-N 3.2Å; R807-L811 VanDerWaalsContact O-N 3.09Å; A808-L811 PolarHBondContact O-N 3.35Å; L809-L811 PolarHBondContact O-N 3.32Å; L811-P813 WeakPolarHBondContact O-CD 3.29Å
812L86.7Confident86.4Confident25 Ų2521 Ų2113%0.13114%0.135CC..SBendtrans-119.960.9176.4-66.6168.6000111.7L6 M7 L23 Y34 V65 A808 L809 S810 R819L6-L812 HydrophobicContact CD1-CD2 3.73Å; L6-L812 HydrophobicContact CD1-CG 4.06Å; L6-L812 HydrophobicContact CD2-CD1 4.13Å; L6-L812 HydrophobicContact CD2-CD2 4.5Å; L6-L812 HydrophobicContact CD2-CG 3.89Å; M7-L812 HydrophobicContact CE-CD1 3.94Å; L23-L812 HydrophobicContact CD2-CD2 4.3Å; Y34-L812 HydrophobicContact CE1-CD2 4.01Å; V65-L812 HydrophobicContact CG2-CD1 4.23Å; V65-L812 HydrophobicContact CG2-CD2 3.95Å; A808-L812 PolarHBondContact O-N 2.65Å; L809-L812 CarbonylContact O-C 3.59Å; L809-L812 PolarHBondContact O-N 2.89Å; L809-L812 VanDerWaalsContact O-N 3.07Å; S810-L812 VanDerWaalsContact C-N 3.31Å; L812-R819 VanDerWaalsContact O-CZ 3.31Å; L812-R819 PolarHBondContact O-NH1 3.09Å; L812-R819 PolarHBondContact O-NH2 3.41Å
813P86.8Confident86.8Confident23 Ų2321 Ų2115%0.14914%0.135CC..  trans-61.6146.1173.928.6-37.3000110.8Y34 S61 S810 L811 H845Y34-P813 VanDerWaalsContact OH-CD 3.29Å; Y34-P813 WeakPolarHBondContact OH-CD 3.28Å; S61-P813 WeakPolarHBondContact CB-O 3.46Å; S61-P813 PolarHBondContact OG-O 3.28Å; S810-P813 WeakPolarHBondContact O-CD 3.43Å; L811-P813 WeakPolarHBondContact O-CD 3.29Å; P813-H845 HydrophobicContact CB-CB 4.08Å
814P84.1Confident87.3Confident11 Ų1120.1 Ų20.17%0.07113%0.131CC..  trans-63.8142175.628.5-35.5000111.2A816 R819P814-A816 VanDerWaalsContact C-N 3.27Å; P814-A816 PolarHBondContact O-N 3.22Å; P814-R819 HydrophobicContact CG-CB 4.22Å
815S75.5Confident87.9Confident79 Ų7918.5 Ų18.555%0.55213%0.125SC*.SBendtrans-65.8-27.5174.853.90000113.4E62E62-S815 WeakPolarHBondContact OE1-CB 3.11Å; E62-S815 PolarHBondContact OE1-N 2.69Å; E62-S815 PolarHBondContact OE1-OG 3.05Å; E62-S815 WeakPolarHBondContact OE2-CB 3.14Å; E62-S815 PolarHBondContact OE2-N 2.64Å; E62-S815 PolarHBondContact OE2-OG 3.17Å; E62-S815 VanDerWaalsContact OE2-OG 3.06Å
816A74.8Confident87.9Confident52 Ų5218.5 Ų18.543%0.4313%0.125SC..SBendtrans-142.8148.4178.500000111P814P814-A816 VanDerWaalsContact C-N 3.27Å; P814-A816 PolarHBondContact O-N 3.22Å
817G78.6Confident87.7Confident42 Ų4218.2 Ų18.243%0.43312%0.124SC..SBendtrans75-157.5179.100000113.8
818V83.6Confident87.5Confident37 Ų3717.9 Ų17.922%0.22412%0.124CC..  trans-133133.9-177.4-1800000108.4R847V818-R847 HydrophobicContact CG1-CB 4.44Å; V818-R847 HydrophobicContact CG1-CG 3.8Å
819R91.8Very high87.5Confident13 Ų1317.5 Ų17.55%0.04912%0.118CC..EExtended strand (participates in β ladder)trans-78.5129.2172.5178.3179.2-70.2146.86.3110E724 V726 L809 L812 P814 L821 H845 S846 R847E724-R819 HydrophobicContact CB-CB 4.5Å; E724-R819 HydrophobicContact CB-CG 4.5Å; E724-R819 HydrophobicContact CG-CG 4.4Å; E724-R819 IonicContact OE1-CZ 2.74Å; E724-R819 IonicContact OE1-NE 3.53Å; E724-R819 PolarHBondContact OE1-NE 2.87Å; E724-R819 IonicContact OE1-NH2 3.8Å; E724-R819 PolarHBondContact OE1-NH2 3.41Å; E724-R819 IonicContact OE2-CZ 2.71Å; E724-R819 IonicContact OE2-NE 3.1Å; E724-R819 PolarHBondContact OE2-NE 3.46Å; E724-R819 IonicContact OE2-NH2 2.74Å; E724-R819 PolarHBondContact OE2-NH2 3.13Å; V726-R819 HydrophobicContact CG2-CG 4.01Å; L809-R819 PolarHBondContact O-NH1 3.05Å; L812-R819 VanDerWaalsContact O-CZ 3.31Å; L812-R819 PolarHBondContact O-NH1 3.09Å; L812-R819 PolarHBondContact O-NH2 3.41Å; P814-R819 HydrophobicContact CG-CB 4.22Å; R819-L821 HydrophobicContact CG-CD2 3.7Å; R819-L821 HydrophobicContact CG-CG 4.38Å; R819-H845 PolarHBondContact N-O 3.29Å; R819-S846 CarbonylContact O-C 3.51Å; R819-S846 VanDerWaalsContact O-CA 3.26Å; R819-S846 WeakPolarHBondContact O-CA 3.27Å; R819-R847 PolarHBondContact O-N 3.13Å
820N93.9Very high86.9Confident2 Ų218.2 Ų18.21%0.01112%0.121CC..EExtended strand (participates in β ladder)trans-102.9112.4174.2-57.4-74.5000109.4E724 V725 V726 R847 F849 M895E724-N820 PolarHBondContact O-N 3.37Å; E724-N820 PolarHBondContact O-ND2 2.88Å; V725-N820 CarbonylContact C-O 3.58Å; V725-N820 VanDerWaalsContact CA-O 3.28Å; V725-N820 WeakPolarHBondContact CA-O 3.48Å; V725-N820 HydrophobicContact CG2-CB 4.27Å; V726-N820 PolarHBondContact N-O 2.84Å; N820-R847 PolarHBondContact OD1-NE 2.79Å; N820-R847 PolarHBondContact OD1-NH2 2.87Å; N820-F849 HydrophobicContact CB-CD2 4.46Å; N820-F849 HydrophobicContact CB-CE2 4.2Å; N820-M895 HydrophobicContact CB-CB 4.24Å; N820-M895 HydrophobicContact CB-CG 4.11Å; N820-M895 HydrophobicContact CB-SD 4.12Å
821L96.3Very high86.2Confident3 Ų320.8 Ų20.82%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-91.5125.3176-52.5178.3000108.1V726 L728 L806 L809 R819 R847 L848 F849V726-L821 HydrophobicContact CB-CD2 3.78Å; V726-L821 HydrophobicContact CG1-CD2 4.47Å; V726-L821 HydrophobicContact CG2-CD2 4.16Å; V726-L821 WeakPolarHBondContact O-CA 3.37Å; L728-L821 HydrophobicContact CD1-CB 4.21Å; L806-L821 HydrophobicContact CD2-CD1 3.44Å; L806-L821 VanDerWaalsContact CD2-CD1 3.44Å; L809-L821 HydrophobicContact CD1-CD2 3.78Å; R819-L821 HydrophobicContact CG-CD2 3.7Å; R819-L821 HydrophobicContact CG-CG 4.38Å; L821-R847 WeakPolarHBondContact CB-O 3.42Å; L821-R847 PolarHBondContact N-O 2.83Å; L821-L848 HydrophobicContact CB-CD1 3.59Å; L821-L848 HydrophobicContact CD1-CD1 4.42Å; L821-F849 PolarHBondContact O-N 3.08Å
822L97.3Very high85.9Confident0 Ų021.6 Ų21.60%014%0.142CC..EExtended strand (participates in β ladder)trans-113.3105.5173.5-17468000109.8V726 L727 L728 V750 F849 M895V726-L822 PolarHBondContact O-N 3.37Å; L727-L822 HydrophobicContact CD2-CB 3.93Å; L727-L822 HydrophobicContact CD2-CD2 3.88Å; L727-L822 HydrophobicContact CD2-CG 4.45Å; L728-L822 PolarHBondContact N-O 2.82Å; V750-L822 HydrophobicContact CB-CD2 4.21Å; V750-L822 HydrophobicContact CG1-CD2 3.73Å; V750-L822 HydrophobicContact CG2-CD2 3.62Å; L822-F849 WeakPolarHBondContact CA-O 3.09Å; L822-F849 HydrophobicContact CD1-CB 3.54Å; L822-M895 HydrophobicContact CB-SD 4.2Å; L822-M895 HydrophobicContact CD1-SD 4.46Å; L822-M895 HydrophobicContact CD2-CE 4.29Å
823L97.4Very high85.4Confident0 Ų024.3 Ų24.30%017%0.168CC..EExtended strand (participates in β ladder)trans-86.1125.4178.2174.865.3000111.4L728 F765 L802 I829 L848 F849 T850 C851 L862 L865L728-L823 HydrophobicContact CB-CD1 4.13Å; L728-L823 WeakPolarHBondContact O-CA 3.4Å; F765-L823 HydrophobicContact CE1-CD1 3.62Å; F765-L823 HydrophobicContact CZ-CD1 3.53Å; L802-L823 HydrophobicContact CD1-CD1 3.92Å; L802-L823 HydrophobicContact CD2-CD1 4.36Å; L802-L823 HydrophobicContact CD2-CD2 3.66Å; L823-I829 HydrophobicContact CD2-CD1 4.41Å; L823-L848 HydrophobicContact CB-CD1 4.03Å; L823-F849 PolarHBondContact N-O 3.34Å; L823-T850 HydrophobicContact CB-CG2 4.18Å; L823-T850 HydrophobicContact CD2-CG2 3.97Å; L823-C851 PolarHBondContact O-N 2.96Å; L823-L862 HydrophobicContact CD2-CD2 3.99Å; L823-L865 HydrophobicContact CD2-CD1 3.76Å
824L95.6Very high84.9Confident0 Ų026 Ų260%018%0.184CC..EExtended strand (participates in β ladder)trans-111.9103.6171.2-65.9165.5000107.8L728 L729 D730 I746 A747 C851 F853L728-L824 PolarHBondContact O-N 2.78Å; L729-L824 HydrophobicContact CD1-CD1 4.38Å; L729-L824 HydrophobicContact CG-CD1 4.06Å; D730-L824 WeakPolarHBondContact CB-O 3.37Å; D730-L824 PolarHBondContact N-O 2.73Å; I746-L824 HydrophobicContact CB-CD2 4.07Å; I746-L824 HydrophobicContact CG2-CD2 3.56Å; A747-L824 HydrophobicContact CB-CD1 3.62Å; L824-C851 HydrophobicContact CD2-CB 3.43Å; L824-C851 VanDerWaalsContact CD2-CB 3.43Å; L824-C851 HydrophobicContact CG-CB 4.48Å; L824-F853 VanDerWaalsContact C-CE1 3.5Å; L824-F853 HydrophobicContact CB-CE1 3.82Å; L824-F853 HydrophobicContact CB-CZ 4.26Å; L824-F853 HydrophobicContact CD2-CE1 4.31Å
825S93Very high85.1Confident0 Ų025.4 Ų25.40%018%0.18CC..EExtended strand (participates in β ladder)trans-155.9161.7-173.9175.90000111.2D730 G827 C851 G852 F853D730-S825 VanDerWaalsContact OD2-CB 3.32Å; D730-S825 WeakPolarHBondContact OD2-CB 3.48Å; D730-S825 PolarHBondContact OD2-OG 2.93Å; S825-G827 VanDerWaalsContact C-N 3.31Å; S825-G827 PolarHBondContact OG-N 2.91Å; S825-C851 PolarHBondContact N-O 3.48Å; S825-G852 WeakPolarHBondContact O-CA 3.48Å; S825-F853 VanDerWaalsContact N-CE1 3.32Å
826D88.6Confident85.8Confident2 Ų222.3 Ų22.31%0.01116%0.157CC..  trans-83.1-6.1167.471.3-17.9000112.8S734 L735 H828 A857 N858S734-D826 WeakPolarHBondContact CB-OD2 3.21Å; S734-D826 VanDerWaalsContact OG-CG 3.24Å; S734-D826 PolarHBondContact OG-OD1 3.23Å; S734-D826 PolarHBondContact OG-OD2 2.89Å; L735-D826 HydrophobicContact CD2-CB 3.62Å; D826-H828 VanDerWaalsContact CG-ND1 3.32Å; D826-H828 PolarHBondContact OD1-N 2.87Å; D826-H828 IonicContact OD1-ND1 3.94Å; D826-H828 IonicContact OD2-CE1 3.44Å; D826-H828 IonicContact OD2-CG 2.78Å; D826-H828 IonicContact OD2-ND1 3.23Å; D826-H828 PolarHBondContact OD2-ND1 2.9Å; D826-A857 HydrophobicContact CB-CB 4.39Å; D826-A857 CarbonylContact O-C 3.57Å; D826-A857 WeakPolarHBondContact O-CA 3.39Å; D826-A857 VanDerWaalsContact O-CB 3.29Å; D826-A857 WeakPolarHBondContact O-CB 3.31Å; D826-N858 PolarHBondContact O-N 2.93Å
827G86.3Confident86.3Confident0 Ų024 Ų240%016%0.156CC..SBendtrans92.13.5170.200000116.5S825 I829 M861S825-G827 VanDerWaalsContact C-N 3.31Å; S825-G827 PolarHBondContact OG-N 2.91Å; G827-I829 VanDerWaalsContact C-N 3.32Å; G827-I829 PolarHBondContact O-N 3.13Å; G827-M861 WeakPolarHBondContact O-CB 3.43Å; G827-M861 WeakPolarHBondContact O-CG 3.47Å
828H82.8Confident86.7Confident35 Ų3523.6 Ų23.616%0.16214%0.144CC..  trans-80.574.8178.1-66.798.9000112T800 D826 T856T800-H828 WeakPolarHBondContact CB-O 3.4Å; T800-H828 PolarHBondContact OG1-O 2.99Å; D826-H828 VanDerWaalsContact CG-ND1 3.32Å; D826-H828 PolarHBondContact OD1-N 2.87Å; D826-H828 IonicContact OD1-ND1 3.94Å; D826-H828 IonicContact OD2-CE1 3.44Å; D826-H828 IonicContact OD2-CG 2.78Å; D826-H828 IonicContact OD2-ND1 3.23Å; D826-H828 PolarHBondContact OD2-ND1 2.9Å; H828-T856 PolarHBondContact CE1-O 2.77Å
829I83.3Confident87.1Confident17 Ų1722.2 Ų22.29%0.08714%0.136CC..  trans-95.4135.8-169.9-62.6170.8000112.3T800 L802 L823 G827 T835 M861 L865T800-I829 HydrophobicContact CG2-CG1 4.11Å; L802-I829 HydrophobicContact CB-CD1 4.38Å; L802-I829 HydrophobicContact CB-CG2 4.05Å; L802-I829 HydrophobicContact CD2-CD1 3.67Å; L823-I829 HydrophobicContact CD2-CD1 4.41Å; G827-I829 VanDerWaalsContact C-N 3.32Å; G827-I829 PolarHBondContact O-N 3.13Å; I829-T835 HydrophobicContact CG2-CG2 4.44Å; I829-M861 HydrophobicContact CB-CG 4.33Å; I829-M861 HydrophobicContact CD1-CG 4.08Å; I829-M861 HydrophobicContact CG1-CG 4.44Å; I829-L865 HydrophobicContact CD1-CD1 3.07Å; I829-L865 HydrophobicContact CD1-CD2 4.26Å; I829-L865 HydrophobicContact CD1-CG 4.12Å
830Q75.7Confident86.9Confident24 Ų2426.8 Ų26.811%0.11215%0.153CC..THydrogen-bonded Turntrans-83.4152.2173.4-61.3-60.2-24.100111.6N210 T800 E801 A832N210-Q830 PolarHBondContact OD1-NE2 3.2Å; T800-Q830 PolarHBondContact O-N 3.08Å; E801-Q830 WeakPolarHBondContact OE1-CB 3.02Å; E801-Q830 WeakPolarHBondContact OE1-CG 3.39Å; Q830-A832 VanDerWaalsContact C-N 3.29Å; Q830-A832 PolarHBondContact O-N 3.37Å
831N72.7Confident86.5Confident63 Ų6331.7 Ų31.734%0.33718%0.179SC..THydrogen-bonded Turntrans53.939.2-177.4-61.6-34.7000114.2W803 A833 A834 T835W803-N831 PolarHBondContact NE1-ND2 3.37Å; N831-A833 VanDerWaalsContact C-N 3.26Å; N831-A833 PolarHBondContact O-N 3.48Å; N831-A834 HydrophobicContact CB-CB 4.42Å; N831-A834 PolarHBondContact O-N 2.91Å; N831-T835 PolarHBondContact O-N 2.95Å; N831-T835 PolarHBondContact O-OG1 2.71Å; N831-T835 VanDerWaalsContact O-OG1 3.12Å
832A79.6Confident86.1Confident25 Ų2532.9 Ų32.921%0.20719%0.185CC..Hα-helixtrans-48.3-41.4-173.900000114.8Q830 T835 L836 M861Q830-A832 VanDerWaalsContact C-N 3.29Å; Q830-A832 PolarHBondContact O-N 3.37Å; A832-T835 PolarHBondContact O-N 2.9Å; A832-L836 WeakPolarHBondContact O-CB 3Å; A832-L836 VanDerWaalsContact O-CG 3.26Å; A832-L836 WeakPolarHBondContact O-CG 3.45Å; A832-L836 PolarHBondContact O-N 3Å; A832-M861 HydrophobicContact CB-CE 3.41Å; A832-M861 VanDerWaalsContact CB-CE 3.41Å; A832-M861 HydrophobicContact CB-SD 3.96Å
833A76.3Confident85.5Confident82 Ų8234.6 Ų34.668%0.67820%0.199SC*.Hα-helixtrans-61.7-45.9179.200000112.6N831 L836 Q837N831-A833 VanDerWaalsContact C-N 3.26Å; N831-A833 PolarHBondContact O-N 3.48Å; A833-L836 PolarHBondContact O-N 3.39Å; A833-Q837 WeakPolarHBondContact O-CB 3.22Å; A833-Q837 PolarHBondContact O-N 3.32Å
834A76.6Confident84.6Confident58 Ų5841.5 Ų41.548%0.47923%0.232SC..Hα-helixtrans-67-41.5177.300000111.2N831 L836 Q837 L838N831-A834 HydrophobicContact CB-CB 4.42Å; N831-A834 PolarHBondContact O-N 2.91Å; A834-L836 PolarHBondContact O-N 2.8Å; A834-Q837 PolarHBondContact O-N 2.85Å; A834-L838 VanDerWaalsContact O-CB 3.32Å; A834-L838 WeakPolarHBondContact O-CB 3.22Å; A834-L838 PolarHBondContact O-N 3.3Å
835T88Confident84.1Confident0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-58.5-47.6175.3-52.20000111.6L802 L806 I829 N831 A832 L838 L839 L865L802-T835 HydrophobicContact CB-CG2 4.43Å; L802-T835 HydrophobicContact CD2-CG2 4.07Å; L802-T835 HydrophobicContact CG-CG2 4.26Å; L806-T835 HydrophobicContact CD1-CG2 3.78Å; I829-T835 HydrophobicContact CG2-CG2 4.44Å; N831-T835 PolarHBondContact O-N 2.95Å; N831-T835 PolarHBondContact O-OG1 2.71Å; N831-T835 VanDerWaalsContact O-OG1 3.12Å; A832-T835 PolarHBondContact O-N 2.9Å; T835-L838 PolarHBondContact O-N 2.91Å; T835-L839 WeakPolarHBondContact O-CG 3.47Å; T835-L839 PolarHBondContact O-N 3.18Å; T835-L839 VanDerWaalsContact O-N 3.08Å; T835-L865 HydrophobicContact CG2-CD2 3.81Å
836L89.3Confident84Confident13 Ų1345.7 Ų45.77%0.06825%0.252CS..Hα-helixtrans-64.6-40.4178.2-72.6169.1000111.8A832 A833 A834 L839 R840 A864 L865 A868A832-L836 WeakPolarHBondContact O-CB 3Å; A832-L836 VanDerWaalsContact O-CG 3.26Å; A832-L836 WeakPolarHBondContact O-CG 3.45Å; A832-L836 PolarHBondContact O-N 3Å; A833-L836 PolarHBondContact O-N 3.39Å; A834-L836 PolarHBondContact O-N 2.8Å; L836-L839 PolarHBondContact O-N 3.33Å; L836-R840 WeakPolarHBondContact O-CG 3.31Å; L836-R840 PolarHBondContact O-N 3Å; L836-R840 VanDerWaalsContact O-N 3.11Å; L836-A864 HydrophobicContact CD2-CB 4.29Å; L836-L865 HydrophobicContact CD2-CD2 4.08Å; L836-A868 HydrophobicContact CD2-CB 3.66Å
837Q85.1Confident84.2Confident88 Ų8847 Ų4741%0.41126%0.257SS..Hα-helixtrans-64.2-45.7177-172.958.63300111.4A833 A834 L839 R840 D841A833-Q837 WeakPolarHBondContact O-CB 3.22Å; A833-Q837 PolarHBondContact O-N 3.32Å; A834-Q837 PolarHBondContact O-N 2.85Å; Q837-L839 VanDerWaalsContact C-N 3.27Å; Q837-L839 PolarHBondContact O-N 3.49Å; Q837-R840 PolarHBondContact O-N 3.48Å; Q837-R840 VanDerWaalsContact O-N 3.15Å; Q837-D841 PolarHBondContact NE2-OD1 3.1Å; Q837-D841 VanDerWaalsContact O-CG 3.3Å; Q837-D841 PolarHBondContact O-N 3.03Å
838L87.5Confident84.6Confident33 Ų3347 Ų4717%0.17326%0.257CS..Hα-helixtrans-58.4-39.4177.4-177.467.3000112L806 R807 A834 T835 N842L806-L838 HydrophobicContact CB-CD2 3.58Å; L806-L838 HydrophobicContact CB-CG 4.49Å; R807-L838 HydrophobicContact CB-CD2 3.94Å; A834-L838 VanDerWaalsContact O-CB 3.32Å; A834-L838 WeakPolarHBondContact O-CB 3.22Å; A834-L838 PolarHBondContact O-N 3.3Å; T835-L838 PolarHBondContact O-N 2.91Å; L838-N842 PolarHBondContact O-N 2.63Å; L838-N842 PolarHBondContact O-ND2 3.42Å
839L91.9Very high85.2Confident9 Ų945.4 Ų45.45%0.04725%0.25CC..Hα-helixtrans-65.5-45.8175.4-72.5167.5000112.2L806 T835 L836 Q837 D841 N842 A843 L848 L865 A868L806-L839 HydrophobicContact CD1-CD1 4.3Å; L806-L839 HydrophobicContact CD1-CD2 3.8Å; L806-L839 HydrophobicContact CD1-CG 3.95Å; L806-L839 HydrophobicContact CD2-CD2 4.11Å; T835-L839 WeakPolarHBondContact O-CG 3.47Å; T835-L839 PolarHBondContact O-N 3.18Å; T835-L839 VanDerWaalsContact O-N 3.08Å; L836-L839 PolarHBondContact O-N 3.33Å; Q837-L839 VanDerWaalsContact C-N 3.27Å; Q837-L839 PolarHBondContact O-N 3.49Å; L839-D841 VanDerWaalsContact C-N 3.33Å; L839-D841 PolarHBondContact O-N 3.3Å; L839-N842 CarbonylContact O-C 3.32Å; L839-N842 PolarHBondContact O-N 3.47Å; L839-A843 PolarHBondContact O-N 3.16Å; L839-L848 HydrophobicContact CD1-CD2 3.47Å; L839-L848 VanDerWaalsContact CD1-CD2 3.47Å; L839-L848 HydrophobicContact CD2-CB 3.97Å; L839-L848 HydrophobicContact CD2-CD2 3.75Å; L839-L848 HydrophobicContact CD2-CG 4.41Å; L839-L848 HydrophobicContact CG-CD2 4.27Å; L839-L865 HydrophobicContact CD1-CB 4.4Å; L839-L865 HydrophobicContact CD1-CD2 3.63Å; L839-A868 HydrophobicContact CB-CB 4.28Å
840R88.4Confident85.9Confident109 Ų10944.6 Ų44.641%0.41125%0.245SC..Hα-helixtrans-60.9-43.4178.5-70.3171.4-173.8144.12111.8L836 Q837 N842 A843 A868L836-R840 WeakPolarHBondContact O-CG 3.31Å; L836-R840 PolarHBondContact O-N 3Å; L836-R840 VanDerWaalsContact O-N 3.11Å; Q837-R840 PolarHBondContact O-N 3.48Å; Q837-R840 VanDerWaalsContact O-N 3.15Å; R840-N842 PolarHBondContact O-N 3.27Å; R840-A843 PolarHBondContact O-N 2.88Å; R840-A868 HydrophobicContact CG-CB 4.22Å
841D86.1Confident86.8Confident104 Ų10443.5 Ų43.556%0.55624%0.24SC*.Hα-helixtrans-65.3-21.3-179.4-70.1-13.2000113Q837 L839Q837-D841 PolarHBondContact NE2-OD1 3.1Å; Q837-D841 VanDerWaalsContact O-CG 3.3Å; Q837-D841 PolarHBondContact O-N 3.03Å; L839-D841 VanDerWaalsContact C-N 3.33Å; L839-D841 PolarHBondContact O-N 3.3Å
842N86.7Confident87.7Confident29 Ų2940.5 Ų40.516%0.15522%0.224CC..Hα-helixtrans-116.37.9-176.2-65.6-76.8000113.9S810 L838 L839 R840 Q844 H845 S846S810-N842 WeakPolarHBondContact CB-ND2 3.33Å; L838-N842 PolarHBondContact O-N 2.63Å; L838-N842 PolarHBondContact O-ND2 3.42Å; L839-N842 CarbonylContact O-C 3.32Å; L839-N842 PolarHBondContact O-N 3.47Å; R840-N842 PolarHBondContact O-N 3.27Å; N842-Q844 PolarHBondContact O-N 3Å; N842-H845 PolarHBondContact O-N 3.19Å; N842-S846 PolarHBondContact O-N 2.99Å
843A84.3Confident88Confident35 Ų3539.3 Ų39.329%0.28921%0.214SC..THydrogen-bonded Turntrans-60.2-21.1-176.600000113.9L839 R840 H845 S846L839-A843 PolarHBondContact O-N 3.16Å; R840-A843 PolarHBondContact O-N 2.88Å; A843-H845 VanDerWaalsContact C-N 3.34Å; A843-S846 WeakPolarHBondContact CA-O 3.46Å
844Q79.4Confident88.2Confident146 Ų14636.5 Ų36.568%0.68219%0.19SC*.THydrogen-bonded Turntrans-69.5-29.8175-66.9-171-16.900113.3N842N842-Q844 PolarHBondContact O-N 3Å
845H84.9Confident88Confident77 Ų7738.9 Ų38.936%0.35620%0.203SC..THydrogen-bonded Turntrans-114.3-20.2-173.9-60.7-63.1000113.1P813 R819 N842 A843P813-H845 HydrophobicContact CB-CB 4.08Å; R819-H845 PolarHBondContact N-O 3.29Å; N842-H845 PolarHBondContact O-N 3.19Å; A843-H845 VanDerWaalsContact C-N 3.34Å
846S89.9Confident87.3Confident11 Ų1143.3 Ų43.38%0.07723%0.23CC..EExtended strand (participates in β ladder)trans-132138.2-178.9-59.80000111.4R819 N842 A843R819-S846 CarbonylContact O-C 3.51Å; R819-S846 VanDerWaalsContact O-CA 3.26Å; R819-S846 WeakPolarHBondContact O-CA 3.27Å; N842-S846 PolarHBondContact O-N 2.99Å; A843-S846 WeakPolarHBondContact CA-O 3.46Å
847R92.8Very high87Confident30 Ų3043.3 Ų43.311%0.11323%0.232CC..EExtended strand (participates in β ladder)trans-112.6135.5169.5-69-179-60.21780.4110.6V818 R819 N820 L821 F849 G869 M895 S897V818-R847 HydrophobicContact CG1-CB 4.44Å; V818-R847 HydrophobicContact CG1-CG 3.8Å; R819-R847 PolarHBondContact O-N 3.13Å; N820-R847 PolarHBondContact OD1-NE 2.79Å; N820-R847 PolarHBondContact OD1-NH2 2.87Å; L821-R847 WeakPolarHBondContact CB-O 3.42Å; L821-R847 PolarHBondContact N-O 2.83Å; R847-F849 HydrophobicContact CB-CE2 3.81Å; R847-F849 HydrophobicContact CB-CZ 4.48Å; R847-G869 CarbonylContact C-O 3.47Å; R847-G869 WeakPolarHBondContact CA-O 3.38Å; R847-M895 PolarHBondContact NH2-O 2.8Å; R847-S897 PolarHBondContact NH1-O 3.12Å; R847-S897 PolarHBondContact NH2-O 2.88Å
848L95.3Very high87Confident0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-108.6116.2178.2-176.766.6000112L728 L821 L823 L839 T850 L865 A866 G869 G871L728-L848 HydrophobicContact CD1-CD1 4.44Å; L821-L848 HydrophobicContact CB-CD1 3.59Å; L821-L848 HydrophobicContact CD1-CD1 4.42Å; L823-L848 HydrophobicContact CB-CD1 4.03Å; L839-L848 HydrophobicContact CD1-CD2 3.47Å; L839-L848 VanDerWaalsContact CD1-CD2 3.47Å; L839-L848 HydrophobicContact CD2-CB 3.97Å; L839-L848 HydrophobicContact CD2-CD2 3.75Å; L839-L848 HydrophobicContact CD2-CG 4.41Å; L839-L848 HydrophobicContact CG-CD2 4.27Å; L848-T850 HydrophobicContact CD2-CG2 4.14Å; L848-T850 HydrophobicContact CG-CG2 4.02Å; L848-L865 HydrophobicContact CD2-CB 3.8Å; L848-L865 HydrophobicContact CD2-CD2 4.48Å; L848-A866 WeakPolarHBondContact O-CA 3.07Å; L848-G869 PolarHBondContact N-O 2.7Å; L848-G871 WeakPolarHBondContact O-CA 3.42Å
849F96.3Very high87Confident0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-100.6137.8170-62.2-92.4000108.8N820 L821 L822 L823 R847 A872 R894 M895 F927N820-F849 HydrophobicContact CB-CD2 4.46Å; N820-F849 HydrophobicContact CB-CE2 4.2Å; L821-F849 PolarHBondContact O-N 3.08Å; L822-F849 WeakPolarHBondContact CA-O 3.09Å; L822-F849 HydrophobicContact CD1-CB 3.54Å; L823-F849 PolarHBondContact N-O 3.34Å; R847-F849 HydrophobicContact CB-CE2 3.81Å; R847-F849 HydrophobicContact CB-CZ 4.48Å; F849-A872 WeakPolarHBondContact CA-O 3.18Å; F849-A872 HydrophobicContact CD1-CB 4.09Å; F849-A872 HydrophobicContact CE1-CB 4.29Å; F849-R894 HydrophobicContact CE1-CB 3.77Å; F849-R894 HydrophobicContact CZ-CB 4.47Å; F849-M895 HydrophobicContact CD1-CG 4.2Å; F849-M895 HydrophobicContact CD2-CG 3.55Å; F849-M895 HydrophobicContact CD2-SD 4.19Å; F849-M895 HydrophobicContact CE1-CG 4.2Å; F849-M895 HydrophobicContact CE2-CB 4.34Å; F849-M895 HydrophobicContact CE2-CG 3.55Å; F849-M895 HydrophobicContact CG-CG 3.89Å; F849-M895 HydrophobicContact CZ-CB 4.46Å; F849-M895 HydrophobicContact CZ-CG 3.88Å; F849-F927 AromaticContact CE1-CE1 3.88Å; F849-F927 HydrophobicContact CE1-CE1 3.88Å; F849-F927 HydrophobicContact CE1-CE2 4.32Å; F849-F927 AromaticContact CE1-CZ 3.61Å; F849-F927 HydrophobicContact CE1-CZ 3.61Å; F849-F927 AromaticContact CZ-CE1 3.77Å; F849-F927 HydrophobicContact CZ-CE1 3.77Å; F849-F927 AromaticContact CZ-CZ 3.84Å; F849-F927 HydrophobicContact CZ-CZ 3.84Å
850T96.4Very high86.9Confident0 Ų042.2 Ų42.20%022%0.224CC..EExtended strand (participates in β ladder)trans-123.8137.2-17760.80000110.8L823 L848 L862 L865 A866 A872 Y873 E874L823-T850 HydrophobicContact CB-CG2 4.18Å; L823-T850 HydrophobicContact CD2-CG2 3.97Å; L848-T850 HydrophobicContact CD2-CG2 4.14Å; L848-T850 HydrophobicContact CG-CG2 4.02Å; T850-L862 WeakPolarHBondContact CG2-O 3.36Å; T850-L862 PolarHBondContact OG1-O 3.31Å; T850-L865 HydrophobicContact CG2-CB 3.97Å; T850-L865 HydrophobicContact CG2-CD1 4.42Å; T850-A866 HydrophobicContact CG2-CB 4.1Å; T850-A866 WeakPolarHBondContact OG1-CB 3.38Å; T850-A872 PolarHBondContact N-O 3.24Å; T850-Y873 WeakPolarHBondContact O-CA 3.43Å; T850-Y873 WeakPolarHBondContact OG1-CD2 3.46Å; T850-E874 PolarHBondContact O-N 3.17Å
851C95.8Very high86.9Confident1 Ų137.9 Ų37.91%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-125.7107.5-179.6-72.30000108L823 L824 S825 E874 F876L823-C851 PolarHBondContact O-N 2.96Å; L824-C851 HydrophobicContact CD2-CB 3.43Å; L824-C851 VanDerWaalsContact CD2-CB 3.43Å; L824-C851 HydrophobicContact CG-CB 4.48Å; S825-C851 PolarHBondContact N-O 3.48Å; C851-E874 WeakPolarHBondContact CA-O 3.44Å; C851-F876 HydrophobicContact CB-CD2 4.16Å; C851-F876 HydrophobicContact CB-CE2 3.75Å
852G92.2Very high87.2Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-90.7143.4178.100000112.6S825 L862 E874 F875 F876S825-G852 WeakPolarHBondContact O-CA 3.48Å; G852-L862 VanDerWaalsContact CA-CD1 3.48Å; G852-E874 PolarHBondContact N-O 3.3Å; G852-F875 WeakPolarHBondContact O-CD2 3.41Å; G852-F876 PolarHBondContact O-N 3.07Å
853F85.8Confident87.4Confident0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-144.7167.4171.642.2-89.2000108.9L735 S739 A743 I746 L824 S825 A857 F876L735-F853 HydrophobicContact CD1-CE2 3.98Å; L735-F853 HydrophobicContact CD1-CZ 4.09Å; L735-F853 HydrophobicContact CD2-CD2 4.28Å; L735-F853 HydrophobicContact CD2-CE2 3.56Å; L735-F853 HydrophobicContact CD2-CZ 4.36Å; L735-F853 HydrophobicContact CG-CE2 4.38Å; S739-F853 WeakPolarHBondContact O-CE2 3.34Å; A743-F853 HydrophobicContact CB-CE1 3.94Å; A743-F853 HydrophobicContact CB-CE2 3.79Å; A743-F853 HydrophobicContact CB-CZ 3.36Å; I746-F853 HydrophobicContact CD1-CD1 4.15Å; L824-F853 VanDerWaalsContact C-CE1 3.5Å; L824-F853 HydrophobicContact CB-CE1 3.82Å; L824-F853 HydrophobicContact CB-CZ 4.26Å; L824-F853 HydrophobicContact CD2-CE1 4.31Å; S825-F853 VanDerWaalsContact N-CE1 3.32Å; F853-A857 WeakPolarHBondContact O-CB 2.96Å; F853-F876 HydrophobicContact CB-CB 4.47Å
854S78.8Confident87.8Confident23 Ų2332.2 Ų32.216%0.16117%0.171CC..SBendtrans83.8146.8-167.7-173.10000114.7T856 F875S854-T856 VanDerWaalsContact C-N 3.25Å; S854-T856 PolarHBondContact O-N 2.99Å; S854-T856 PolarHBondContact OG-N 3.38Å; S854-T856 PolarHBondContact OG-OG1 3.34Å; S854-F875 WeakPolarHBondContact O-CE2 3.44Å; S854-F875 VanDerWaalsContact O-CZ 3.25Å; S854-F875 WeakPolarHBondContact O-CZ 3.32Å
855S72.2Confident88.4Confident109 Ų10925.2 Ų25.276%0.76214%0.138SC*.THydrogen-bonded Turntrans-69.2-23.4173.153.80000112.9
856T74.6Confident88.8Confident92 Ų9221.6 Ų21.656%0.56412%0.122SC*.THydrogen-bonded Turntrans-942.5-179.155.20000113.6H828 S854 N858H828-T856 PolarHBondContact CE1-O 2.77Å; S854-T856 VanDerWaalsContact C-N 3.25Å; S854-T856 PolarHBondContact O-N 2.99Å; S854-T856 PolarHBondContact OG-N 3.38Å; S854-T856 PolarHBondContact OG-OG1 3.34Å; T856-N858 PolarHBondContact O-N 3.08Å
857A83.3Confident88.8Confident13 Ų1323.6 Ų23.611%0.10713%0.13CC..  trans-57.5136.6-173.100000113.6D826 F853 R859 F875D826-A857 HydrophobicContact CB-CB 4.39Å; D826-A857 CarbonylContact O-C 3.57Å; D826-A857 WeakPolarHBondContact O-CA 3.39Å; D826-A857 VanDerWaalsContact O-CB 3.29Å; D826-A857 WeakPolarHBondContact O-CB 3.31Å; F853-A857 WeakPolarHBondContact O-CB 2.96Å; A857-R859 VanDerWaalsContact C-N 3.26Å; A857-R859 HydrophobicContact CB-CG 4.44Å; A857-R859 PolarHBondContact O-N 2.83Å; A857-F875 HydrophobicContact CB-CE2 4.03Å
858N84.8Confident88.7Confident24 Ų2422.9 Ų22.913%0.12813%0.13CC..  trans-75.580.4168.2-169.4-22.8000110.1D826 T856 H860 M861 L862 E993D826-N858 PolarHBondContact O-N 2.93Å; T856-N858 PolarHBondContact O-N 3.08Å; N858-H860 PolarHBondContact O-N 3.24Å; N858-H860 PolarHBondContact OD1-N 3.39Å; N858-M861 HydrophobicContact CB-CB 4.22Å; N858-M861 PolarHBondContact O-N 2.89Å; N858-M861 WeakPolarHBondContact OD1-CB 3.49Å; N858-M861 PolarHBondContact OD1-N 3.23Å; N858-L862 PolarHBondContact O-N 3.49Å; N858-E993 PolarHBondContact ND2-OE2 2.77Å
859R88Confident88.4Confident71 Ų7122.9 Ų22.927%0.26813%0.131SC..Hα-helixtrans-63.6-29-179.7-54.3-176.1-176.3173.4-1.4112.7A857 R863 Y873 F875 D986A857-R859 VanDerWaalsContact C-N 3.26Å; A857-R859 HydrophobicContact CB-CG 4.44Å; A857-R859 PolarHBondContact O-N 2.83Å; R859-R863 WeakPolarHBondContact O-CG 3.39Å; R859-R863 PolarHBondContact O-N 2.85Å; R859-R863 PolarHBondContact O-NH1 2.65Å; R859-Y873 WeakPolarHBondContact CB-OH 3.29Å; R859-Y873 WeakPolarHBondContact CG-OH 3.37Å; R859-F875 HydrophobicContact CG-CD2 4.39Å; R859-F875 HydrophobicContact CG-CE2 4.45Å; R859-F875 VanDerWaalsContact NH2-CZ 3.31Å; R859-D986 IonicContact NH1-OD1 3.97Å; R859-D986 PolarHBondContact NH1-OD1 3.34Å
860H88.3Confident88.2Confident12 Ų1223.2 Ų23.26%0.05613%0.133CC..Hα-helixtrans-62.8-52.4176.5171-83.1000110.3N858 L862 R863 A864 N988 D990 I991 E993 H996N858-H860 PolarHBondContact O-N 3.24Å; N858-H860 PolarHBondContact OD1-N 3.39Å; H860-L862 PolarHBondContact O-N 2.61Å; H860-R863 PolarHBondContact O-N 3.46Å; H860-A864 PolarHBondContact O-N 3.49Å; H860-N988 PolarHBondContact CD2-OD1 3.49Å; H860-N988 PolarHBondContact NE2-OD1 3.02Å; H860-N988 VanDerWaalsContact NE2-OD1 3.12Å; H860-D990 PolarHBondContact NE2-O 3.41Å; H860-I991 PolarHBondContact CE1-O 3.05Å; H860-I991 VanDerWaalsContact CE1-O 3.29Å; H860-E993 PolarHBondContact CE1-N 2.95Å; H860-H996 AromaticContact CD2-CD2 3.78Å; H860-H996 AromaticContact CD2-CG 3.44Å; H860-H996 VanDerWaalsContact CD2-CG 3.44Å; H860-H996 AromaticContact CD2-ND1 3.66Å; H860-H996 AromaticContact NE2-CG 3.92Å
861M89.1Confident88Confident19 Ų1923.2 Ų23.29%0.09413%0.133CC..Hα-helixtrans-59.2-47.7178.9-175.355.363.400112G827 I829 A832 N858 R863 A864 L865G827-M861 WeakPolarHBondContact O-CB 3.43Å; G827-M861 WeakPolarHBondContact O-CG 3.47Å; I829-M861 HydrophobicContact CB-CG 4.33Å; I829-M861 HydrophobicContact CD1-CG 4.08Å; I829-M861 HydrophobicContact CG1-CG 4.44Å; A832-M861 HydrophobicContact CB-CE 3.41Å; A832-M861 VanDerWaalsContact CB-CE 3.41Å; A832-M861 HydrophobicContact CB-SD 3.96Å; N858-M861 HydrophobicContact CB-CB 4.22Å; N858-M861 PolarHBondContact O-N 2.89Å; N858-M861 WeakPolarHBondContact OD1-CB 3.49Å; N858-M861 PolarHBondContact OD1-N 3.23Å; M861-R863 VanDerWaalsContact C-N 3.27Å; M861-R863 PolarHBondContact O-N 3.22Å; M861-A864 PolarHBondContact O-N 3.41Å; M861-A864 VanDerWaalsContact O-N 3.13Å; M861-L865 HydrophobicContact CG-CD1 4.33Å; M861-L865 HydrophobicContact CG-CG 4.44Å; M861-L865 VanDerWaalsContact O-CG 3.29Å; M861-L865 WeakPolarHBondContact O-CG 3.43Å; M861-L865 PolarHBondContact O-N 3.04Å; M861-L865 HydrophobicContact SD-CG 4.34Å
862L92.9Very high87.8Confident0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-60.7-35.4180-68.2170.4000112.9L823 T850 G852 N858 H860 L865 A866 Y873L823-L862 HydrophobicContact CD2-CD2 3.99Å; T850-L862 WeakPolarHBondContact CG2-O 3.36Å; T850-L862 PolarHBondContact OG1-O 3.31Å; G852-L862 VanDerWaalsContact CA-CD1 3.48Å; N858-L862 PolarHBondContact O-N 3.49Å; H860-L862 PolarHBondContact O-N 2.61Å; L862-L865 HydrophobicContact CD2-CD1 4.39Å; L862-A866 PolarHBondContact O-N 2.96Å; L862-A866 VanDerWaalsContact O-N 3.14Å; L862-Y873 HydrophobicContact CB-CD2 3.7Å; L862-Y873 HydrophobicContact CB-CE2 3.54Å; L862-Y873 HydrophobicContact CD1-CE2 3.98Å; L862-Y873 HydrophobicContact CG-CE2 4.43Å
863R91.4Very high87.9Confident42 Ų4224.4 Ų24.416%0.15814%0.139CC..Hα-helixtrans-70.3-44.7173.2-73.4-176-168.9108.6-6.9112R859 H860 M861 L865 A866 Q867 Y873 D986R859-R863 WeakPolarHBondContact O-CG 3.39Å; R859-R863 PolarHBondContact O-N 2.85Å; R859-R863 PolarHBondContact O-NH1 2.65Å; H860-R863 PolarHBondContact O-N 3.46Å; M861-R863 VanDerWaalsContact C-N 3.27Å; M861-R863 PolarHBondContact O-N 3.22Å; R863-L865 VanDerWaalsContact C-N 3.28Å; R863-L865 PolarHBondContact O-N 2.74Å; R863-A866 PolarHBondContact O-N 3.45Å; R863-Q867 WeakPolarHBondContact O-CB 3.46Å; R863-Q867 PolarHBondContact O-N 3.08Å; R863-Y873 HydrophobicContact CG-CD1 3.45Å; R863-Y873 VanDerWaalsContact CG-CD1 3.45Å; R863-Y873 HydrophobicContact CG-CD2 4.06Å; R863-Y873 HydrophobicContact CG-CE1 3.9Å; R863-Y873 HydrophobicContact CG-CE2 4.45Å; R863-Y873 HydrophobicContact CG-CG 3.51Å; R863-Y873 VanDerWaalsContact NE-CE1 3.29Å; R863-D986 PolarHBondContact NH1-O 2.98Å; R863-D986 PolarHBondContact NH2-O 2.97Å
864A90.7Very high88.2Confident6 Ų625.4 Ų25.45%0.0514%0.144CC..Hα-helixtrans-58.8-41.517800000111.7L836 H860 M861 A868L836-A864 HydrophobicContact CD2-CB 4.29Å; H860-A864 PolarHBondContact O-N 3.49Å; M861-A864 PolarHBondContact O-N 3.41Å; M861-A864 VanDerWaalsContact O-N 3.13Å; A864-A868 VanDerWaalsContact O-CB 3.28Å; A864-A868 WeakPolarHBondContact O-CB 3.43Å; A864-A868 PolarHBondContact O-N 3.35Å
865L93Very high88.8Confident0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-62.2-49.9173.6-71.4172000112.9L802 L823 I829 T835 L836 L839 L848 T850 M861 L862 R863 Q867 A868 G869L802-L865 HydrophobicContact CD2-CD1 4.08Å; L802-L865 HydrophobicContact CD2-CD2 4.35Å; L823-L865 HydrophobicContact CD2-CD1 3.76Å; I829-L865 HydrophobicContact CD1-CD1 3.07Å; I829-L865 HydrophobicContact CD1-CD2 4.26Å; I829-L865 HydrophobicContact CD1-CG 4.12Å; T835-L865 HydrophobicContact CG2-CD2 3.81Å; L836-L865 HydrophobicContact CD2-CD2 4.08Å; L839-L865 HydrophobicContact CD1-CB 4.4Å; L839-L865 HydrophobicContact CD1-CD2 3.63Å; L848-L865 HydrophobicContact CD2-CB 3.8Å; L848-L865 HydrophobicContact CD2-CD2 4.48Å; T850-L865 HydrophobicContact CG2-CB 3.97Å; T850-L865 HydrophobicContact CG2-CD1 4.42Å; M861-L865 HydrophobicContact CG-CD1 4.33Å; M861-L865 HydrophobicContact CG-CG 4.44Å; M861-L865 VanDerWaalsContact O-CG 3.29Å; M861-L865 WeakPolarHBondContact O-CG 3.43Å; M861-L865 PolarHBondContact O-N 3.04Å; M861-L865 HydrophobicContact SD-CG 4.34Å; L862-L865 HydrophobicContact CD2-CD1 4.39Å; R863-L865 VanDerWaalsContact C-N 3.28Å; R863-L865 PolarHBondContact O-N 2.74Å; L865-Q867 VanDerWaalsContact C-N 3.27Å; L865-Q867 PolarHBondContact O-N 2.9Å; L865-A868 PolarHBondContact O-N 3Å; L865-G869 PolarHBondContact O-N 3.48Å
866A93.1Very high89.6Confident1 Ų120.6 Ų20.61%0.00811%0.106CC..Hα-helixtrans-60.8-40.7179.200000111.4L848 T850 L862 R863 G869 G870 G871L848-A866 WeakPolarHBondContact O-CA 3.07Å; T850-A866 HydrophobicContact CG2-CB 4.1Å; T850-A866 WeakPolarHBondContact OG1-CB 3.38Å; L862-A866 PolarHBondContact O-N 2.96Å; L862-A866 VanDerWaalsContact O-N 3.14Å; R863-A866 PolarHBondContact O-N 3.45Å; A866-G869 CarbonylContact O-C 3.6Å; A866-G870 PolarHBondContact O-N 3.14Å; A866-G870 VanDerWaalsContact O-N 3.15Å; A866-G871 PolarHBondContact O-N 3.34Å
867Q89.8Confident90Very high52 Ų5218.8 Ų18.824%0.2439%0.093CC..Hα-helixtrans-64.6-48.2176.1-171.8-176.71.800111.5R863 L865 G869 G870R863-Q867 WeakPolarHBondContact O-CB 3.46Å; R863-Q867 PolarHBondContact O-N 3.08Å; L865-Q867 VanDerWaalsContact C-N 3.27Å; L865-Q867 PolarHBondContact O-N 2.9Å; Q867-G869 VanDerWaalsContact C-N 3.28Å; Q867-G869 PolarHBondContact O-N 3.4Å; Q867-G870 PolarHBondContact O-N 3.44Å; Q867-G870 VanDerWaalsContact O-N 3.16Å
868A90.1Very high89.7Confident15 Ų1520.7 Ų20.712%0.12411%0.106CC..Hα-helixtrans-62.3-35.4179.500000112.7L836 L839 R840 A864 L865L836-A868 HydrophobicContact CD2-CB 3.66Å; L839-A868 HydrophobicContact CB-CB 4.28Å; R840-A868 HydrophobicContact CG-CB 4.22Å; A864-A868 VanDerWaalsContact O-CB 3.28Å; A864-A868 WeakPolarHBondContact O-CB 3.43Å; A864-A868 PolarHBondContact O-N 3.35Å; L865-A868 PolarHBondContact O-N 3Å
869G90.8Very high89.2Confident1 Ų127.8 Ų27.81%0.0114%0.135CC..THydrogen-bonded Turntrans-90.512.7176.300000114.7R847 L848 L865 A866 Q867 G871R847-G869 CarbonylContact C-O 3.47Å; R847-G869 WeakPolarHBondContact CA-O 3.38Å; L848-G869 PolarHBondContact N-O 2.7Å; L865-G869 PolarHBondContact O-N 3.48Å; A866-G869 CarbonylContact O-C 3.6Å; Q867-G869 VanDerWaalsContact C-N 3.28Å; Q867-G869 PolarHBondContact O-N 3.4Å; G869-G871 PolarHBondContact O-N 3.45Å; G869-G871 VanDerWaalsContact O-N 3.13Å
870G90.3Very high88.5Confident6 Ų624.9 Ų24.96%0.06213%0.127CC..EExtended strand (participates in β ladder)trans6322.917600000115.3A866 Q867 S925A866-G870 PolarHBondContact O-N 3.14Å; A866-G870 VanDerWaalsContact O-N 3.15Å; Q867-G870 PolarHBondContact O-N 3.44Å; Q867-G870 VanDerWaalsContact O-N 3.16Å; G870-S925 VanDerWaalsContact CA-OG 3.3Å; G870-S925 WeakPolarHBondContact CA-OG 3.28Å; G870-S925 WeakPolarHBondContact O-CB 3.31Å; G870-S925 PolarHBondContact O-OG 3.42Å; G870-S925 VanDerWaalsContact O-OG 3.06Å
871G92.5Very high88Confident0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-108.6-151.1177.700000113.5L848 A866 G869 S925L848-G871 WeakPolarHBondContact O-CA 3.42Å; A866-G871 PolarHBondContact O-N 3.34Å; G869-G871 PolarHBondContact O-N 3.45Å; G869-G871 VanDerWaalsContact O-N 3.13Å; G871-S925 PolarHBondContact O-OG 3.12Å
872A92.6Very high87.4Confident5 Ų529.1 Ų29.14%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-138.2149.1-179.500000112.3F849 T850 Q891 F927F849-A872 WeakPolarHBondContact CA-O 3.18Å; F849-A872 HydrophobicContact CD1-CB 4.09Å; F849-A872 HydrophobicContact CE1-CB 4.29Å; T850-A872 PolarHBondContact N-O 3.24Å; A872-Q891 PolarHBondContact O-NE2 3.16Å; A872-Q891 VanDerWaalsContact O-NE2 3.08Å; A872-F927 HydrophobicContact CB-CE2 3.96Å
873Y93.1Very high86.8Confident22 Ų2230.5 Ų30.59%0.08615%0.154CC..EExtended strand (participates in β ladder)trans-100.9137.6178.1167.4-101.8000111.5T850 R859 L862 R863 F875T850-Y873 WeakPolarHBondContact O-CA 3.43Å; T850-Y873 WeakPolarHBondContact OG1-CD2 3.46Å; R859-Y873 WeakPolarHBondContact CB-OH 3.29Å; R859-Y873 WeakPolarHBondContact CG-OH 3.37Å; L862-Y873 HydrophobicContact CB-CD2 3.7Å; L862-Y873 HydrophobicContact CB-CE2 3.54Å; L862-Y873 HydrophobicContact CD1-CE2 3.98Å; L862-Y873 HydrophobicContact CG-CE2 4.43Å; R863-Y873 HydrophobicContact CG-CD1 3.45Å; R863-Y873 VanDerWaalsContact CG-CD1 3.45Å; R863-Y873 HydrophobicContact CG-CD2 4.06Å; R863-Y873 HydrophobicContact CG-CE1 3.9Å; R863-Y873 HydrophobicContact CG-CE2 4.45Å; R863-Y873 HydrophobicContact CG-CG 3.51Å; R863-Y873 VanDerWaalsContact NE-CE1 3.29Å; Y873-F875 HydrophobicContact CE1-CB 4.12Å; Y873-F875 WeakPolarHBondContact OH-CB 3.4Å; Y873-F875 WeakPolarHBondContact OH-CD2 3.48Å
874E93Very high86.5Confident21 Ų2128.9 Ų28.910%0.09815%0.147CC..EExtended strand (participates in β ladder)trans-132.6146.2167.3-72.5-67.7167.900111T850 C851 G852 F876 R890 Q891 R894T850-E874 PolarHBondContact O-N 3.17Å; C851-E874 WeakPolarHBondContact CA-O 3.44Å; G852-E874 PolarHBondContact N-O 3.3Å; E874-F876 HydrophobicContact CB-CE2 4.09Å; E874-R890 IonicContact OE1-NH1 3.12Å; E874-R890 PolarHBondContact OE1-NH1 3.09Å; E874-R890 IonicContact OE2-NH1 2.72Å; E874-Q891 HydrophobicContact CB-CG 4.17Å; E874-Q891 HydrophobicContact CG-CG 3.52Å; E874-R894 IonicContact OE1-CZ 2.61Å; E874-R894 IonicContact OE1-NH1 3.34Å; E874-R894 PolarHBondContact OE1-NH1 2.9Å; E874-R894 IonicContact OE1-NH2 3.32Å; E874-R894 PolarHBondContact OE1-NH2 3.5Å
875F91.1Very high86.3Confident28 Ų2831.7 Ų31.712%0.12317%0.171CC..EExtended strand (participates in β ladder)trans-115.6128.7176.5-173.3-106.4000111.4G852 S854 A857 R859 Y873 D877 K887G852-F875 WeakPolarHBondContact O-CD2 3.41Å; S854-F875 WeakPolarHBondContact O-CE2 3.44Å; S854-F875 VanDerWaalsContact O-CZ 3.25Å; S854-F875 WeakPolarHBondContact O-CZ 3.32Å; A857-F875 HydrophobicContact CB-CE2 4.03Å; R859-F875 HydrophobicContact CG-CD2 4.39Å; R859-F875 HydrophobicContact CG-CE2 4.45Å; R859-F875 VanDerWaalsContact NH2-CZ 3.31Å; Y873-F875 HydrophobicContact CE1-CB 4.12Å; Y873-F875 WeakPolarHBondContact OH-CB 3.4Å; Y873-F875 WeakPolarHBondContact OH-CD2 3.48Å; F875-D877 HydrophobicContact CD1-CB 4.19Å; F875-D877 HydrophobicContact CE1-CB 3.84Å; F875-K887 PolarHBondContact O-NZ 3.13Å
876F88.8Confident85.9Confident2 Ų235.5 Ų35.51%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-103.390.1-179.8-67.4-92.8000109.7I746 C851 G852 F853 E874 W884 K887 V888I746-F876 HydrophobicContact CD1-CB 3.81Å; I746-F876 HydrophobicContact CD1-CD1 3.9Å; I746-F876 HydrophobicContact CD1-CD2 3.87Å; I746-F876 HydrophobicContact CD1-CE1 4.46Å; I746-F876 HydrophobicContact CD1-CE2 4.45Å; I746-F876 HydrophobicContact CD1-CG 3.57Å; I746-F876 HydrophobicContact CG1-CD1 4.18Å; I746-F876 HydrophobicContact CG1-CE1 4.43Å; I746-F876 HydrophobicContact CG1-CG 4.35Å; I746-F876 HydrophobicContact CG2-CE1 4.41Å; I746-F876 HydrophobicContact CG2-CE2 4.35Å; I746-F876 HydrophobicContact CG2-CZ 4.13Å; C851-F876 HydrophobicContact CB-CD2 4.16Å; C851-F876 HydrophobicContact CB-CE2 3.75Å; G852-F876 PolarHBondContact O-N 3.07Å; F853-F876 HydrophobicContact CB-CB 4.47Å; E874-F876 HydrophobicContact CB-CE2 4.09Å; F876-W884 HydrophobicContact CB-CD2 4.33Å; F876-W884 HydrophobicContact CB-CH2 4.39Å; F876-W884 HydrophobicContact CB-CZ2 3.88Å; F876-W884 HydrophobicContact CD1-CB 4.06Å; F876-W884 AromaticContact CD1-CD1 3.92Å; F876-W884 AromaticContact CD1-CD2 3.78Å; F876-W884 HydrophobicContact CD1-CD2 3.78Å; F876-W884 HydrophobicContact CD1-CE3 4.27Å; F876-W884 AromaticContact CD1-CG 3.67Å; F876-W884 HydrophobicContact CD1-CG 3.67Å; F876-W884 HydrophobicContact CE1-CB 4.24Å; F876-W884 HydrophobicContact CE1-CG 4.34Å; F876-K887 HydrophobicContact CE1-CB 3.77Å; F876-K887 HydrophobicContact CE1-CD 4.47Å; F876-K887 HydrophobicContact CZ-CB 3.93Å; F876-V888 HydrophobicContact CE1-CG2 3.89Å; F876-V888 HydrophobicContact CZ-CG2 4.02Å
877D82.6Confident85.8Confident54 Ų5437.1 Ų37.129%0.28920%0.195SC..  trans-73127.6175.6-166-30.7000110.2F875 K879 A880 W884F875-D877 HydrophobicContact CD1-CB 4.19Å; F875-D877 HydrophobicContact CE1-CB 3.84Å; D877-K879 PolarHBondContact O-N 2.84Å; D877-K879 WeakPolarHBondContact OD1-CB 3.46Å; D877-K879 PolarHBondContact OD1-N 3.39Å; D877-A880 HydrophobicContact CB-CB 4.19Å; D877-A880 CarbonylContact O-C 3.56Å; D877-A880 PolarHBondContact O-N 3.22Å; D877-W884 PolarHBondContact O-NE1 2.8Å
878S77.3Confident85.9Confident53 Ų5334.8 Ų34.837%0.37119%0.185SC..G310 helixtrans-63.6-21.6177.5590000113.1K881S878-K881 WeakPolarHBondContact O-CE 3.37Å; S878-K881 WeakPolarHBondContact O-CG 3.46Å
879K74.4Confident85.9Confident173 Ų17340 Ų4075%0.75221%0.207SC*.G310 helixtrans-79.3-22.3174-60.9176.4-177.7174.60113D877D877-K879 PolarHBondContact O-N 2.84Å; D877-K879 WeakPolarHBondContact OD1-CB 3.46Å; D877-K879 PolarHBondContact OD1-N 3.39Å
880A73.6Confident85.8Confident11 Ų1143.5 Ų43.59%0.09122%0.22CC..G310 helixtrans-115.140.3-175.200000112.7D877 H882 T883 W884D877-A880 HydrophobicContact CB-CB 4.19Å; D877-A880 CarbonylContact O-C 3.56Å; D877-A880 PolarHBondContact O-N 3.22Å; A880-H882 PolarHBondContact O-N 2.93Å; A880-H882 VanDerWaalsContact O-N 3.14Å; A880-T883 HydrophobicContact CB-CG2 4.45Å; A880-T883 PolarHBondContact O-N 3.15Å; A880-T883 PolarHBondContact O-OG1 2.84Å; A880-W884 VanDerWaalsContact O-CD1 3.26Å
881K77.9Confident85.8Confident66 Ų6643.3 Ų43.329%0.28722%0.217SC..G310 helixtrans-53.5-32.1-178-78.4174.3-174.2179.60114.3V453 S878 T883 W884V453-K881 HydrophobicContact CB-CB 4.4Å; V453-K881 HydrophobicContact CG1-CB 3.9Å; V453-K881 HydrophobicContact CG2-CB 4.18Å; S878-K881 WeakPolarHBondContact O-CE 3.37Å; S878-K881 WeakPolarHBondContact O-CG 3.46Å; K881-T883 PolarHBondContact O-N 2.91Å; K881-W884 HydrophobicContact CG-CD2 4.34Å; K881-W884 HydrophobicContact CG-CH2 4.38Å; K881-W884 HydrophobicContact CG-CZ2 3.97Å; K881-W884 VanDerWaalsContact O-CB 3.29Å; K881-W884 WeakPolarHBondContact O-CB 3.35Å; K881-W884 VanDerWaalsContact O-CG 3.31Å; K881-W884 PolarHBondContact O-N 2.71Å; K881-W884 VanDerWaalsContact O-N 3.11Å
882H76Confident85.8Confident54 Ų5443.8 Ų43.825%0.2522%0.22CC..G310 helixtrans-59.8-24.5176.971.3-83.1000113.8V453 N455 P456 A880V453-H882 HydrophobicContact CG1-CB 4.41Å; N455-H882 HydrophobicContact CB-CB 4.36Å; N455-H882 PolarHBondContact OD1-CE1 3.47Å; N455-H882 PolarHBondContact OD1-NE2 3.4Å; P456-H882 WeakPolarHBondContact CD-ND1 3.4Å; A880-H882 PolarHBondContact O-N 2.93Å; A880-H882 VanDerWaalsContact O-N 3.14Å
883T79.9Confident85.7Confident28 Ų2847.4 Ų47.417%0.17224%0.235CC..G310 helixtrans-84.1-8.417966.40000113.9A880 K881 A885 E886 K887A880-T883 HydrophobicContact CB-CG2 4.45Å; A880-T883 PolarHBondContact O-N 3.15Å; A880-T883 PolarHBondContact O-OG1 2.84Å; K881-T883 PolarHBondContact O-N 2.91Å; T883-A885 PolarHBondContact O-N 2.93Å; T883-E886 PolarHBondContact O-N 3.18Å; T883-K887 WeakPolarHBondContact O-CG 3.32Å; T883-K887 PolarHBondContact O-N 3.46Å; T883-K887 VanDerWaalsContact O-N 3.17Å; T883-K887 PolarHBondContact OG1-NZ 3.45Å
884W86.2Confident85.6Confident8 Ų848.1 Ų48.13%0.0324%0.237CC..Hα-helixtrans-69.7-39.4-165.6-72.518.9000113.1L450 L742 I746 F876 D877 A880 K881 E886 K887 V888L450-W884 HydrophobicContact CD1-CE3 4.47Å; L450-W884 HydrophobicContact CD2-CD2 4.32Å; L450-W884 HydrophobicContact CD2-CE3 3.67Å; L450-W884 HydrophobicContact CD2-CZ3 4.3Å; L742-W884 HydrophobicContact CB-CH2 4.16Å; L742-W884 HydrophobicContact CD1-CH2 4.06Å; L742-W884 HydrophobicContact CD2-CH2 3.42Å; L742-W884 VanDerWaalsContact CD2-CH2 3.42Å; L742-W884 HydrophobicContact CD2-CZ3 3.83Å; L742-W884 HydrophobicContact CG-CH2 4.04Å; I746-W884 HydrophobicContact CD1-CZ3 4.22Å; I746-W884 HydrophobicContact CG1-CE3 4.18Å; I746-W884 HydrophobicContact CG1-CZ3 4.06Å; F876-W884 HydrophobicContact CB-CD2 4.33Å; F876-W884 HydrophobicContact CB-CH2 4.39Å; F876-W884 HydrophobicContact CB-CZ2 3.88Å; F876-W884 HydrophobicContact CD1-CB 4.06Å; F876-W884 AromaticContact CD1-CD1 3.92Å; F876-W884 AromaticContact CD1-CD2 3.78Å; F876-W884 HydrophobicContact CD1-CD2 3.78Å; F876-W884 HydrophobicContact CD1-CE3 4.27Å; F876-W884 AromaticContact CD1-CG 3.67Å; F876-W884 HydrophobicContact CD1-CG 3.67Å; F876-W884 HydrophobicContact CE1-CB 4.24Å; F876-W884 HydrophobicContact CE1-CG 4.34Å; D877-W884 PolarHBondContact O-NE1 2.8Å; A880-W884 VanDerWaalsContact O-CD1 3.26Å; K881-W884 HydrophobicContact CG-CD2 4.34Å; K881-W884 HydrophobicContact CG-CH2 4.38Å; K881-W884 HydrophobicContact CG-CZ2 3.97Å; K881-W884 VanDerWaalsContact O-CB 3.29Å; K881-W884 WeakPolarHBondContact O-CB 3.35Å; K881-W884 VanDerWaalsContact O-CG 3.31Å; K881-W884 PolarHBondContact O-N 2.71Å; K881-W884 VanDerWaalsContact O-N 3.11Å; W884-E886 PolarHBondContact O-N 2.87Å; W884-K887 PolarHBondContact O-N 2.62Å; W884-V888 WeakPolarHBondContact O-CG2 3.3Å; W884-V888 PolarHBondContact O-N 3.14Å
885A86.3Confident85.4Confident65 Ų6547.2 Ų47.254%0.53723%0.233SC..Hα-helixtrans-58.6-47.3178.600000111.4T883 K887 V888 E889T883-A885 PolarHBondContact O-N 2.93Å; A885-K887 PolarHBondContact O-N 3.1Å; A885-V888 PolarHBondContact O-N 2.89Å; A885-E889 PolarHBondContact O-N 3.17Å
886E84.6Confident85.2Confident81 Ų8148.6 Ų48.638%0.37925%0.246SC..Hα-helixtrans-63.5-40177.3-169.1-174.1141.800111.8R591 T883 W884 E889 R890R591-E886 IonicContact NH2-OE1 2.89Å; R591-E886 IonicContact NH2-OE2 3.73Å; R591-E886 PolarHBondContact NH2-OE2 2.97Å; R591-E886 VanDerWaalsContact NH2-OE2 3.15Å; T883-E886 PolarHBondContact O-N 3.18Å; W884-E886 PolarHBondContact O-N 2.87Å; E886-E889 PolarHBondContact O-N 3.25Å; E886-R890 VanDerWaalsContact O-CB 3.29Å; E886-R890 WeakPolarHBondContact O-CB 3.26Å; E886-R890 PolarHBondContact O-N 3.04Å; E886-R890 IonicContact OE1-CZ 2.71Å; E886-R890 IonicContact OE1-NH2 3.9Å; E886-R890 PolarHBondContact OE1-NH2 3.38Å
887K90.3Very high85Confident34 Ų3449.1 Ų49.115%0.14825%0.25CC..Hα-helixtrans-63.4-41.3176.6-74.3175.9174.3171.90112.4F875 F876 T883 W884 A885 R890 Q891F875-K887 PolarHBondContact O-NZ 3.13Å; F876-K887 HydrophobicContact CE1-CB 3.77Å; F876-K887 HydrophobicContact CE1-CD 4.47Å; F876-K887 HydrophobicContact CZ-CB 3.93Å; T883-K887 WeakPolarHBondContact O-CG 3.32Å; T883-K887 PolarHBondContact O-N 3.46Å; T883-K887 VanDerWaalsContact O-N 3.17Å; T883-K887 PolarHBondContact OG1-NZ 3.45Å; W884-K887 PolarHBondContact O-N 2.62Å; A885-K887 PolarHBondContact O-N 3.1Å; K887-R890 PolarHBondContact O-N 3.48Å; K887-Q891 PolarHBondContact O-N 2.84Å
888V92.3Very high85.2Confident4 Ų447 Ų472%0.02424%0.239CC..Hα-helixtrans-63.7-49.7175.6169.80000110.7I746 Q749 V750 N753 F876 W884 A885 R890 Q891 V892I746-V888 HydrophobicContact CG2-CG2 4.27Å; Q749-V888 HydrophobicContact CB-CG1 4.26Å; Q749-V888 HydrophobicContact CB-CG2 4.25Å; V750-V888 HydrophobicContact CB-CG1 4.48Å; V750-V888 HydrophobicContact CG2-CG1 3.85Å; N753-V888 HydrophobicContact CB-CG1 4.46Å; F876-V888 HydrophobicContact CE1-CG2 3.89Å; F876-V888 HydrophobicContact CZ-CG2 4.02Å; W884-V888 WeakPolarHBondContact O-CG2 3.3Å; W884-V888 PolarHBondContact O-N 3.14Å; A885-V888 PolarHBondContact O-N 2.89Å; V888-R890 VanDerWaalsContact C-N 3.27Å; V888-R890 PolarHBondContact O-N 3.04Å; V888-Q891 PolarHBondContact O-N 3.3Å; V888-V892 HydrophobicContact CG1-CG2 4.41Å; V888-V892 WeakPolarHBondContact O-CG2 3.24Å; V888-V892 PolarHBondContact O-N 3.23Å
889E89.8Confident85.6Confident124 Ų12445 Ų4558%0.57923%0.227SC*.Hα-helixtrans-57.4-43.4178.5-173.2-178.6-17900111.2A885 E886 Q891 V892 K893A885-E889 PolarHBondContact O-N 3.17Å; E886-E889 PolarHBondContact O-N 3.25Å; E889-Q891 PolarHBondContact O-N 3.32Å; E889-V892 PolarHBondContact O-N 3.04Å; E889-K893 WeakPolarHBondContact O-CB 3.41Å; E889-K893 PolarHBondContact O-N 2.9Å
890R88.7Confident86.4Confident75 Ų7536.8 Ų36.828%0.28319%0.192SC..Hα-helixtrans-61.3-44.3176.9-164.1-174.2-55139.3-1.6112.4E874 E886 K887 V888 K893 R894E874-R890 IonicContact OE1-NH1 3.12Å; E874-R890 PolarHBondContact OE1-NH1 3.09Å; E874-R890 IonicContact OE2-NH1 2.72Å; E886-R890 VanDerWaalsContact O-CB 3.29Å; E886-R890 WeakPolarHBondContact O-CB 3.26Å; E886-R890 PolarHBondContact O-N 3.04Å; E886-R890 IonicContact OE1-CZ 2.71Å; E886-R890 IonicContact OE1-NH2 3.9Å; E886-R890 PolarHBondContact OE1-NH2 3.38Å; K887-R890 PolarHBondContact O-N 3.48Å; V888-R890 VanDerWaalsContact C-N 3.27Å; V888-R890 PolarHBondContact O-N 3.04Å; R890-K893 PolarHBondContact O-N 3.46Å; R890-R894 VanDerWaalsContact CD-NH2 3.26Å; R890-R894 VanDerWaalsContact O-CG 3.31Å; R890-R894 WeakPolarHBondContact O-CG 3.47Å; R890-R894 PolarHBondContact O-N 3.19Å
891Q91.8Very high87.2Confident1 Ų137.4 Ų37.41%0.00520%0.195CC..Hα-helixtrans-65-42.4176.1-77-72.178.400112A872 E874 K887 V888 E889 K893 R894 M895A872-Q891 PolarHBondContact O-NE2 3.16Å; A872-Q891 VanDerWaalsContact O-NE2 3.08Å; E874-Q891 HydrophobicContact CB-CG 4.17Å; E874-Q891 HydrophobicContact CG-CG 3.52Å; K887-Q891 PolarHBondContact O-N 2.84Å; V888-Q891 PolarHBondContact O-N 3.3Å; E889-Q891 PolarHBondContact O-N 3.32Å; Q891-K893 VanDerWaalsContact C-N 3.33Å; Q891-K893 PolarHBondContact O-N 2.94Å; Q891-R894 PolarHBondContact O-N 3.09Å; Q891-M895 WeakPolarHBondContact O-CG 3.41Å; Q891-M895 PolarHBondContact O-N 3.12Å
892V92Very high87.6Confident11 Ų1138.6 Ų38.67%0.06721%0.212CC..Hα-helixtrans-62.7-40.3176.6172.10000111.5V750 N753 L754 V888 E889 M895 S896V750-V892 HydrophobicContact CG1-CG2 4.19Å; N753-V892 HydrophobicContact CB-CG2 4.08Å; L754-V892 HydrophobicContact CD2-CG1 4.1Å; L754-V892 HydrophobicContact CD2-CG2 4.43Å; V888-V892 HydrophobicContact CG1-CG2 4.41Å; V888-V892 WeakPolarHBondContact O-CG2 3.24Å; V888-V892 PolarHBondContact O-N 3.23Å; E889-V892 PolarHBondContact O-N 3.04Å; V892-M895 HydrophobicContact CB-CE 4.39Å; V892-M895 HydrophobicContact CG2-CE 3.91Å; V892-M895 PolarHBondContact O-N 2.84Å; V892-S896 WeakPolarHBondContact O-CB 3.42Å; V892-S896 PolarHBondContact O-N 3.43Å; V892-S896 PolarHBondContact O-OG 3.09Å
893K89.3Confident88.4Confident80 Ų8036.6 Ų36.635%0.34820%0.203SC..Hα-helixtrans-63.2-40.3174.7-170.6173.9-177.6177.50112.1E889 R890 Q891 S896 S897 D929E889-K893 WeakPolarHBondContact O-CB 3.41Å; E889-K893 PolarHBondContact O-N 2.9Å; R890-K893 PolarHBondContact O-N 3.46Å; Q891-K893 VanDerWaalsContact C-N 3.33Å; Q891-K893 PolarHBondContact O-N 2.94Å; K893-S896 PolarHBondContact O-N 3.46Å; K893-S897 WeakPolarHBondContact O-CB 3.44Å; K893-S897 PolarHBondContact O-N 3.11Å; K893-S897 VanDerWaalsContact O-N 3.17Å; K893-S897 PolarHBondContact O-OG 3.15Å; K893-D929 VanDerWaalsContact CE-OD2 3.27Å; K893-D929 WeakPolarHBondContact CE-OD2 3.29Å; K893-D929 IonicContact NZ-OD2 2.89Å; K893-D929 PolarHBondContact NZ-OD2 3.46Å
894R90.7Very high89Confident37 Ų3737.7 Ų37.714%0.1421%0.212CC..Hα-helixtrans-65.4-44.2174.6-68.9170.5-179.1155.9-0.1112.2F849 E874 R890 Q891 S896 S897 F927F849-R894 HydrophobicContact CE1-CB 3.77Å; F849-R894 HydrophobicContact CZ-CB 4.47Å; E874-R894 IonicContact OE1-CZ 2.61Å; E874-R894 IonicContact OE1-NH1 3.34Å; E874-R894 PolarHBondContact OE1-NH1 2.9Å; E874-R894 IonicContact OE1-NH2 3.32Å; E874-R894 PolarHBondContact OE1-NH2 3.5Å; R890-R894 VanDerWaalsContact CD-NH2 3.26Å; R890-R894 VanDerWaalsContact O-CG 3.31Å; R890-R894 WeakPolarHBondContact O-CG 3.47Å; R890-R894 PolarHBondContact O-N 3.19Å; Q891-R894 PolarHBondContact O-N 3.09Å; R894-S896 PolarHBondContact O-N 2.76Å; R894-S897 WeakPolarHBondContact CA-OG 3.47Å; R894-S897 PolarHBondContact O-N 3.34Å; R894-S897 PolarHBondContact O-OG 3.39Å; R894-S897 VanDerWaalsContact O-OG 3.04Å; R894-F927 HydrophobicContact CB-CB 4.38Å; R894-F927 HydrophobicContact CB-CD1 3.89Å; R894-F927 HydrophobicContact CB-CD2 4.13Å; R894-F927 HydrophobicContact CB-CE1 4.2Å; R894-F927 HydrophobicContact CB-CE2 4.43Å; R894-F927 HydrophobicContact CB-CG 3.86Å; R894-F927 HydrophobicContact CB-CZ 4.47Å; R894-F927 HydrophobicContact CG-CB 3.98Å; R894-F927 HydrophobicContact CG-CD1 4.33Å; R894-F927 HydrophobicContact CG-CD2 3.83Å; R894-F927 HydrophobicContact CG-CE2 4.44Å; R894-F927 HydrophobicContact CG-CG 3.77Å; R894-F927 WeakPolarHBondContact O-CD1 3.42Å
895M90Very high89.4Confident2 Ų238.3 Ų38.31%0.0122%0.217CC..Hα-helixtrans-60.1-37175.3-71.6-169.8-66.700112.1V725 V750 L754 N820 L822 R847 F849 Q891 V892 S897V725-M895 HydrophobicContact CG1-SD 4.32Å; V750-M895 HydrophobicContact CG1-CE 4.3Å; L754-M895 HydrophobicContact CD2-CE 4.29Å; N820-M895 HydrophobicContact CB-CB 4.24Å; N820-M895 HydrophobicContact CB-CG 4.11Å; N820-M895 HydrophobicContact CB-SD 4.12Å; L822-M895 HydrophobicContact CB-SD 4.2Å; L822-M895 HydrophobicContact CD1-SD 4.46Å; L822-M895 HydrophobicContact CD2-CE 4.29Å; R847-M895 PolarHBondContact NH2-O 2.8Å; F849-M895 HydrophobicContact CD1-CG 4.2Å; F849-M895 HydrophobicContact CD2-CG 3.55Å; F849-M895 HydrophobicContact CD2-SD 4.19Å; F849-M895 HydrophobicContact CE1-CG 4.2Å; F849-M895 HydrophobicContact CE2-CB 4.34Å; F849-M895 HydrophobicContact CE2-CG 3.55Å; F849-M895 HydrophobicContact CG-CG 3.89Å; F849-M895 HydrophobicContact CZ-CB 4.46Å; F849-M895 HydrophobicContact CZ-CG 3.88Å; Q891-M895 WeakPolarHBondContact O-CG 3.41Å; Q891-M895 PolarHBondContact O-N 3.12Å; V892-M895 HydrophobicContact CB-CE 4.39Å; V892-M895 HydrophobicContact CG2-CE 3.91Å; V892-M895 PolarHBondContact O-N 2.84Å; M895-S897 VanDerWaalsContact C-N 3.32Å; M895-S897 PolarHBondContact O-N 3.21Å
896S86.3Confident89.7Confident58 Ų5841.9 Ų41.941%0.40622%0.22SC..Hα-helixtrans-79.9-9.5-179.2-55.70000114.3V892 K893 R894V892-S896 WeakPolarHBondContact O-CB 3.42Å; V892-S896 PolarHBondContact O-N 3.43Å; V892-S896 PolarHBondContact O-OG 3.09Å; K893-S896 PolarHBondContact O-N 3.46Å; R894-S896 PolarHBondContact O-N 2.76Å
897S85.9Confident90Very high12 Ų1239 Ų398%0.08421%0.206CC..SBendtrans-108155.6-177.255.30000112R847 K893 R894 M895R847-S897 PolarHBondContact NH1-O 3.12Å; R847-S897 PolarHBondContact NH2-O 2.88Å; K893-S897 WeakPolarHBondContact O-CB 3.44Å; K893-S897 PolarHBondContact O-N 3.11Å; K893-S897 VanDerWaalsContact O-N 3.17Å; K893-S897 PolarHBondContact O-OG 3.15Å; R894-S897 WeakPolarHBondContact CA-OG 3.47Å; R894-S897 PolarHBondContact O-N 3.34Å; R894-S897 PolarHBondContact O-OG 3.39Å; R894-S897 VanDerWaalsContact O-OG 3.04Å; M895-S897 VanDerWaalsContact C-N 3.32Å; M895-S897 PolarHBondContact O-N 3.21Å
898P85.8Confident89.8Confident9 Ų940.5 Ų40.56%0.05821%0.214CC..  trans-59.6140.7167.326.7-35.4000110.3F714F714-P898 HydrophobicContact CB-CB 4.32Å; F714-P898 HydrophobicContact CB-CG 3.82Å; F714-P898 HydrophobicContact CD2-CG 4.4Å
899G86.9Confident89Confident12 Ų1242.7 Ų42.712%0.12422%0.224CC..EExtended strand (participates in β ladder)trans-116.4137.8178.400000111.2L926G899-L926 CarbonylContact C-O 3.53Å; G899-L926 VanDerWaalsContact CA-O 3.29Å; G899-L926 WeakPolarHBondContact CA-O 3.33Å
900C89.4Confident87.9Confident1 Ų144.7 Ų44.71%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-99.1111.2167.8-178.50000108.5F714 V903 S925 L926 D949 L950F714-C900 HydrophobicContact CE1-CB 4.45Å; F714-C900 HydrophobicContact CE2-CB 3.81Å; F714-C900 HydrophobicContact CZ-CB 3.58Å; C900-V903 WeakPolarHBondContact O-CG2 3.31Å; C900-S925 CarbonylContact O-C 3.53Å; C900-S925 WeakPolarHBondContact O-CA 3.46Å; C900-S925 WeakPolarHBondContact O-CB 3.31Å; C900-L926 HydrophobicContact CB-CB 4.21Å; C900-L926 PolarHBondContact N-O 3.41Å; C900-L926 PolarHBondContact O-N 3.34Å; C900-D949 CarbonylContact C-O 3.55Å; C900-D949 VanDerWaalsContact CA-O 3.27Å; C900-D949 WeakPolarHBondContact CA-O 3.43Å; C900-L950 HydrophobicContact CB-CD1 4.17Å
901S90.3Very high86.7Confident23 Ų2344.7 Ų44.716%0.16124%0.236CC..EExtended strand (participates in β ladder)trans-91.8179.6179.952.40000112.2V903 G948 D949S901-V903 PolarHBondContact O-N 3.08Å; S901-V903 VanDerWaalsContact O-N 3.11Å; S901-G948 WeakPolarHBondContact O-CA 3.46Å; S901-D949 PolarHBondContact N-O 3.36Å; S901-D949 PolarHBondContact O-N 2.89Å; S901-D949 PolarHBondContact OG-O 2.97Å
902S87.8Confident85.3Confident91 Ų9150.3 Ų50.364%0.63627%0.273SS*.EExtended strand (participates in β ladder)trans53.536175-57.70000113.8
903V91.8Very high83.9Confident12 Ų1260.5 Ų60.57%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-72.7131.6-171.3-174.90000109.4C900 S901 L923 N924 L926 L946 L947C900-V903 WeakPolarHBondContact O-CG2 3.31Å; S901-V903 PolarHBondContact O-N 3.08Å; S901-V903 VanDerWaalsContact O-N 3.11Å; V903-L923 HydrophobicContact CB-CB 4.09Å; V903-L923 HydrophobicContact CG1-CB 4.1Å; V903-L923 HydrophobicContact CG1-CD1 3.93Å; V903-N924 WeakPolarHBondContact CG2-O 3.3Å; V903-L926 HydrophobicContact CG1-CD1 4.14Å; V903-L926 HydrophobicContact CG1-CG 4.14Å; V903-L926 HydrophobicContact CG2-CD1 4.41Å; V903-L926 HydrophobicContact CG2-CG 3.9Å; V903-L946 HydrophobicContact CG1-CD1 3.62Å; V903-L947 CarbonylContact C-O 3.57Å; V903-L947 VanDerWaalsContact CA-O 3.31Å; V903-L947 WeakPolarHBondContact CA-O 3.17Å
904S93.3Very high83Confident52 Ų5258.8 Ų58.836%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-147.5155174.162.20000111.5L947S904-L947 PolarHBondContact N-O 3.15Å; S904-L947 PolarHBondContact O-N 3.22Å
905V94.1Very high82.5Confident20 Ų2061.8 Ų61.812%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-116.8125.3178.31700000109.1L708 F710 W907 L923 A944 T945 L946L708-V905 HydrophobicContact CD1-CB 4.42Å; L708-V905 HydrophobicContact CD1-CG1 3.49Å; L708-V905 VanDerWaalsContact CD1-CG1 3.49Å; L708-V905 HydrophobicContact CD1-CG2 4.04Å; F710-V905 HydrophobicContact CE2-CG2 4.19Å; F710-V905 HydrophobicContact CZ-CG2 4.24Å; V905-W907 HydrophobicContact CG1-CD2 4.04Å; V905-W907 HydrophobicContact CG1-CG 4.3Å; V905-W907 HydrophobicContact CG1-CZ2 4.18Å; V905-L923 HydrophobicContact CB-CD1 4.35Å; V905-L923 HydrophobicContact CG2-CD1 3.66Å; V905-A944 HydrophobicContact CG1-CB 4.13Å; V905-T945 WeakPolarHBondContact CA-O 3.32Å; V905-L946 HydrophobicContact CG2-CD1 4.13Å
906K92.9Very high82.3Confident141 Ų14163.9 Ų63.961%0.61335%0.348SS*.EExtended strand (participates in β ladder)trans-101.6105.3169.6-174.6177.7-179177.50109.4A944 T945K906-A944 CarbonylContact O-C 3.4Å; K906-A944 WeakPolarHBondContact O-CA 3.49Å; K906-T945 PolarHBondContact N-O 2.94Å; K906-T945 PolarHBondContact O-N 2.91Å
907W91.3Very high82.6Confident20 Ų2063.8 Ų63.88%0.07635%0.345CS..EExtended strand (participates in β ladder)trans-71.7133.6173.4-60.196.2000110.8M693 C706 L708 V905 P916 Q918 V934 V938 A944M693-W907 HydrophobicContact CE-CZ3 4.27Å; M693-W907 HydrophobicContact SD-CZ3 4.34Å; C706-W907 HydrophobicContact CB-CH2 3.82Å; C706-W907 HydrophobicContact CB-CZ3 3.62Å; L708-W907 HydrophobicContact CD1-CE3 4.4Å; L708-W907 HydrophobicContact CD1-CH2 3.47Å; L708-W907 VanDerWaalsContact CD1-CH2 3.47Å; L708-W907 HydrophobicContact CD1-CZ2 3.85Å; L708-W907 HydrophobicContact CD1-CZ3 3.76Å; L708-W907 HydrophobicContact CG-CH2 3.8Å; L708-W907 HydrophobicContact CG-CZ3 4.04Å; V905-W907 HydrophobicContact CG1-CD2 4.04Å; V905-W907 HydrophobicContact CG1-CG 4.3Å; V905-W907 HydrophobicContact CG1-CZ2 4.18Å; W907-P916 HydrophobicContact CB-CB 4.36Å; W907-P916 HydrophobicContact CB-CG 4.38Å; W907-P916 HydrophobicContact CG-CB 4.05Å; W907-P916 HydrophobicContact CG-CG 4.31Å; W907-Q918 HydrophobicContact CZ2-CG 4.48Å; W907-V934 HydrophobicContact CZ2-CG1 4.13Å; W907-V938 HydrophobicContact CB-CG1 4Å; W907-V938 HydrophobicContact CD2-CG1 4.45Å; W907-V938 HydrophobicContact CD2-CG2 3.76Å; W907-V938 HydrophobicContact CE3-CG1 4.46Å; W907-V938 HydrophobicContact CE3-CG2 3.94Å; W907-V938 HydrophobicContact CG-CG1 4.3Å; W907-V938 HydrophobicContact CG-CG2 4.11Å; W907-V938 HydrophobicContact CZ2-CG2 4.4Å; W907-V938 HydrophobicContact CZ3-CG2 4.31Å; W907-A944 HydrophobicContact CE3-CB 3.9Å; W907-A944 HydrophobicContact CZ3-CB 4.24Å
908Q86Confident83Confident66 Ų6664.4 Ų64.431%0.30835%0.347SS..EExtended strand (participates in β ladder)trans-93.6103.7174.1-60.8-172.715.600109.6Q943 T945Q908-Q943 HydrophobicContact CB-CB 4.11Å; Q908-Q943 WeakPolarHBondContact CB-O 3.31Å; Q908-Q943 HydrophobicContact CG-CB 4.23Å; Q908-Q943 PolarHBondContact N-O 2.98Å; Q908-T945 PolarHBondContact NE2-OG1 3.21Å
909Q75.4Confident83.4Confident50 Ų5064 Ų6423%0.23435%0.345CS..  trans-101.2136.9177.8-62.6179.8-23.700110.2N911 A914 P916 V938Q909-N911 VanDerWaalsContact C-N 3.3Å; Q909-A914 PolarHBondContact NE2-O 3Å; Q909-A914 VanDerWaalsContact NE2-O 3.08Å; Q909-A914 PolarHBondContact OE1-O 3.16Å; Q909-A914 VanDerWaalsContact OE1-O 3.12Å; Q909-P916 VanDerWaalsContact NE2-CD 3.3Å; Q909-V938 HydrophobicContact CG-CG1 3.68Å
910F66.8Low83.7Confident165 Ų16565.4 Ų65.472%0.72435%0.351SS*.SBendtrans-78.5-14.8172-71.3-84.9000112.9H940F910-H940 WeakPolarHBondContact CD2-O 3.44Å
911N64Low83.8Confident75 Ų7570.6 Ų70.640%0.40137%0.374SS..  trans-128111.7178.3-175.9-1.8000111Q909 R913Q909-N911 VanDerWaalsContact C-N 3.3Å; N911-R913 PolarHBondContact O-N 2.86Å; N911-R913 WeakPolarHBondContact OD1-CB 3.44Å; N911-R913 PolarHBondContact OD1-N 3.21Å
912P61.1Low83.6Confident119 Ų11972.4 Ų72.477%0.77338%0.38SS*.THydrogen-bonded Turntrans-76.3-0.1-176.130-34.6000114.7A914P912-A914 PolarHBondContact O-N 3.44Å
913R63.3Low83.7Confident226 Ų22668.5 Ų68.585%0.85335%0.352SS*.THydrogen-bonded Turntrans-77.2-14.9-174.4-72.7-177.5175.8163-0.2115.1N911N911-R913 PolarHBondContact O-N 2.86Å; N911-R913 WeakPolarHBondContact OD1-CB 3.44Å; N911-R913 PolarHBondContact OD1-N 3.21Å
914A69.2Low83.5Confident43 Ų4371.1 Ų71.136%0.35537%0.365SS..SBendtrans-128.5104.2179.800000110Q909 P912Q909-A914 PolarHBondContact NE2-O 3Å; Q909-A914 VanDerWaalsContact NE2-O 3.08Å; Q909-A914 PolarHBondContact OE1-O 3.16Å; Q909-A914 VanDerWaalsContact OE1-O 3.12Å; P912-A914 PolarHBondContact O-N 3.44Å
915P80.3Confident83.4Confident101 Ų10169 Ų6966%0.65635%0.351SS*.  trans-62.4148.6-179.426.9-33.9000110.9V917P915-V917 PolarHBondContact O-N 3.45Å
916P87.5Confident83.3Confident45 Ų4568.3 Ų68.329%0.29235%0.346SS..  trans-65.3131.917926.7-31.5000110.1W907 Q909 V938W907-P916 HydrophobicContact CB-CB 4.36Å; W907-P916 HydrophobicContact CB-CG 4.38Å; W907-P916 HydrophobicContact CG-CB 4.05Å; W907-P916 HydrophobicContact CG-CG 4.31Å; Q909-P916 VanDerWaalsContact NE2-CD 3.3Å; P916-V938 HydrophobicContact CB-CG1 4.22Å; P916-V938 HydrophobicContact CB-CG2 3.83Å
917V92.6Very high83.2Confident56 Ų5661.7 Ų61.734%0.33932%0.317SS..EExtended strand (participates in β ladder)trans-94.3105170.5-177.30000107P915 G936 F937 L980 F1006P915-V917 PolarHBondContact O-N 3.45Å; V917-G936 CarbonylContact O-C 3.56Å; V917-G936 WeakPolarHBondContact O-CA 3.48Å; V917-F937 HydrophobicContact CB-CB 4.43Å; V917-F937 PolarHBondContact N-O 2.91Å; V917-F937 PolarHBondContact O-N 2.96Å; V917-L980 HydrophobicContact CG1-CD1 3.82Å; V917-L980 HydrophobicContact CG1-CD2 3.6Å; V917-L980 HydrophobicContact CG1-CG 4.39Å; V917-F1006 HydrophobicContact CG1-CE1 4.18Å; V917-F1006 HydrophobicContact CG1-CZ 4.07Å
918Q94.1Very high83.1Confident26 Ų2661.7 Ų61.712%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-113142.6-171.4-179.4-172.4-67.100111.6W907 P920 V934 Y935W907-Q918 HydrophobicContact CZ2-CG 4.48Å; Q918-P920 PolarHBondContact NE2-O 2.65Å; Q918-V934 HydrophobicContact CG-CG1 3.56Å; Q918-Y935 CarbonylContact C-O 3.6Å; Q918-Y935 VanDerWaalsContact CA-O 3.3Å; Q918-Y935 WeakPolarHBondContact CA-O 3.47Å; Q918-Y935 WeakPolarHBondContact CG-O 3.14Å
919A94.3Very high82.9Confident1 Ų161.2 Ų61.21%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-128.8136.6163.500000111Y935 A979 L980 D983A919-Y935 PolarHBondContact N-O 3.37Å; A919-Y935 PolarHBondContact O-N 3.35Å; A919-A979 VanDerWaalsContact CB-C 3.49Å; A919-A979 HydrophobicContact CB-CB 3.86Å; A919-A979 WeakPolarHBondContact CB-O 3.2Å; A919-L980 HydrophobicContact CB-CB 4.48Å; A919-L980 HydrophobicContact CB-CD2 3.79Å; A919-L980 HydrophobicContact CB-CG 3.91Å; A919-D983 HydrophobicContact CB-CB 4.04Å
920P92.8Very high83.5Confident40 Ų4059.7 Ų59.726%0.2631%0.313SS..SBendcis-69.9149-7.720.4-17.3000111.4Q918 Q922 L923Q918-P920 PolarHBondContact NE2-O 2.65Å; P920-Q922 VanDerWaalsContact C-N 3.35Å; P920-L923 HydrophobicContact CG-CD2 3.76Å
921K90.6Very high84.6Confident110 Ų11054.3 Ų54.348%0.47829%0.29SS..SBendtrans-64.6-40.8-180-178.862.3175.4-174.70111.8D983 L989K921-D983 VanDerWaalsContact CB-OD2 3.3Å; K921-D983 WeakPolarHBondContact CB-OD2 3.31Å; K921-D983 PolarHBondContact N-OD2 2.89Å; K921-L989 HydrophobicContact CB-CD2 4.43Å
922Q87.1Confident85.8Confident61 Ų6152.4 Ų52.429%0.28528%0.281SS..SBendtrans-111125.1174.7-66.6-67.6-21.200108.6P920 N988P920-Q922 VanDerWaalsContact C-N 3.35Å; Q922-N988 VanDerWaalsContact CG-O 3.26Å; Q922-N988 WeakPolarHBondContact CG-O 3.25Å
923L89.2Confident87.4Confident9 Ų947.6 Ų47.65%0.04725%0.249CC..PPolyproline II helixtrans-90137178-56.6-177.3000110.1V903 V905 P920 V934V903-L923 HydrophobicContact CB-CB 4.09Å; V903-L923 HydrophobicContact CG1-CB 4.1Å; V903-L923 HydrophobicContact CG1-CD1 3.93Å; V905-L923 HydrophobicContact CB-CD1 4.35Å; V905-L923 HydrophobicContact CG2-CD1 3.66Å; P920-L923 HydrophobicContact CG-CD2 3.76Å; L923-V934 HydrophobicContact CD1-CG2 4.11Å; L923-V934 HydrophobicContact CD2-CG1 4.25Å; L923-V934 HydrophobicContact CD2-CG2 3.62Å
924N87.9Confident89Confident67 Ų6736.8 Ų36.836%0.35821%0.208SC..PPolyproline II helixtrans-81.9169.8172.6-66.1-19.4000110.7V903V903-N924 WeakPolarHBondContact CG2-O 3.3Å
925S91.5Very high90.2Very high9 Ų935 Ų356%0.06319%0.192CC..PPolyproline II helixtrans-61.8142174-51.60000111.5G870 G871 C900 F927G870-S925 VanDerWaalsContact CA-OG 3.3Å; G870-S925 WeakPolarHBondContact CA-OG 3.28Å; G870-S925 WeakPolarHBondContact O-CB 3.31Å; G870-S925 PolarHBondContact O-OG 3.42Å; G870-S925 VanDerWaalsContact O-OG 3.06Å; G871-S925 PolarHBondContact O-OG 3.12Å; C900-S925 CarbonylContact O-C 3.53Å; C900-S925 WeakPolarHBondContact O-CA 3.46Å; C900-S925 WeakPolarHBondContact O-CB 3.31Å; S925-F927 WeakPolarHBondContact O-CD2 3.11Å; S925-F927 VanDerWaalsContact O-CE2 3.31Å; S925-F927 WeakPolarHBondContact O-CE2 3.36Å
926L92.4Very high90.9Very high4 Ų430.1 Ų30.12%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-90141.1177-54.8177.3000110.2F710 P712 F714 G899 C900 V903 T932 L946F710-L926 HydrophobicContact CB-CD1 4.46Å; P712-L926 HydrophobicContact CG-CB 4.14Å; F714-L926 HydrophobicContact CE2-CB 4.33Å; F714-L926 HydrophobicContact CZ-CB 4.29Å; G899-L926 CarbonylContact C-O 3.53Å; G899-L926 VanDerWaalsContact CA-O 3.29Å; G899-L926 WeakPolarHBondContact CA-O 3.33Å; C900-L926 HydrophobicContact CB-CB 4.21Å; C900-L926 PolarHBondContact N-O 3.41Å; C900-L926 PolarHBondContact O-N 3.34Å; V903-L926 HydrophobicContact CG1-CD1 4.14Å; V903-L926 HydrophobicContact CG1-CG 4.14Å; V903-L926 HydrophobicContact CG2-CD1 4.41Å; V903-L926 HydrophobicContact CG2-CG 3.9Å; L926-T932 HydrophobicContact CD2-CG2 3.96Å; L926-T932 WeakPolarHBondContact CD2-OG1 3.1Å; L926-L946 HydrophobicContact CD1-CD2 4.05Å
927F90.8Very high91.2Very high3 Ų329.3 Ų29.31%0.01315%0.152CC..EExtended strand (participates in β ladder)trans-132.3152.4-178.9-63.7-85000110.4P712 F849 A872 R894 S925 C930P712-F927 VanDerWaalsContact CG-O 3.3Å; P712-F927 WeakPolarHBondContact CG-O 3.42Å; F849-F927 AromaticContact CE1-CE1 3.88Å; F849-F927 HydrophobicContact CE1-CE1 3.88Å; F849-F927 HydrophobicContact CE1-CE2 4.32Å; F849-F927 AromaticContact CE1-CZ 3.61Å; F849-F927 HydrophobicContact CE1-CZ 3.61Å; F849-F927 AromaticContact CZ-CE1 3.77Å; F849-F927 HydrophobicContact CZ-CE1 3.77Å; F849-F927 AromaticContact CZ-CZ 3.84Å; F849-F927 HydrophobicContact CZ-CZ 3.84Å; A872-F927 HydrophobicContact CB-CE2 3.96Å; R894-F927 HydrophobicContact CB-CB 4.38Å; R894-F927 HydrophobicContact CB-CD1 3.89Å; R894-F927 HydrophobicContact CB-CD2 4.13Å; R894-F927 HydrophobicContact CB-CE1 4.2Å; R894-F927 HydrophobicContact CB-CE2 4.43Å; R894-F927 HydrophobicContact CB-CG 3.86Å; R894-F927 HydrophobicContact CB-CZ 4.47Å; R894-F927 HydrophobicContact CG-CB 3.98Å; R894-F927 HydrophobicContact CG-CD1 4.33Å; R894-F927 HydrophobicContact CG-CD2 3.83Å; R894-F927 HydrophobicContact CG-CE2 4.44Å; R894-F927 HydrophobicContact CG-CG 3.77Å; R894-F927 WeakPolarHBondContact O-CD1 3.42Å; S925-F927 WeakPolarHBondContact O-CD2 3.11Å; S925-F927 VanDerWaalsContact O-CE2 3.31Å; S925-F927 WeakPolarHBondContact O-CE2 3.36Å; F927-C930 HydrophobicContact CB-CB 4.25Å; F927-C930 WeakPolarHBondContact O-CB 3.2Å; F927-C930 PolarHBondContact O-N 3.08Å
928N88.8Confident91.2Very high19 Ų1926.6 Ų26.610%0.10214%0.136CC..THydrogen-bonded Turntrans-57.1142.8178.3-70.93.9000111.5P712 F714 C930P712-N928 WeakPolarHBondContact O-CA 3.41Å; F714-N928 WeakPolarHBondContact CB-OD1 3.42Å; F714-N928 WeakPolarHBondContact CD2-OD1 3.35Å; F714-N928 WeakPolarHBondContact CG-OD1 3.25Å; F714-N928 PolarHBondContact N-ND2 3.39Å; F714-N928 PolarHBondContact N-OD1 2.98Å; F714-N928 PolarHBondContact O-ND2 3.36Å; N928-C930 PolarHBondContact O-N 3.35Å
929D82Confident90.8Very high56 Ų5627.8 Ų27.830%0.29915%0.146SC..THydrogen-bonded Turntrans54.817-178.2-54.9-33.2000115.1Y711 P712 K893Y711-D929 VanDerWaalsContact CE2-CA 3.49Å; Y711-D929 HydrophobicContact CE2-CB 4.39Å; Y711-D929 WeakPolarHBondContact CE2-O 3.26Å; P712-D929 PolarHBondContact O-N 2.93Å; K893-D929 VanDerWaalsContact CE-OD2 3.27Å; K893-D929 WeakPolarHBondContact CE-OD2 3.29Å; K893-D929 IonicContact NZ-OD2 2.89Å; K893-D929 PolarHBondContact NZ-OD2 3.46Å
930C87.6Confident90.4Very high18 Ų1831.7 Ų31.712%0.12216%0.164CC..  trans-109.7116.3171.4-65.40000108.4P712 F927 N928P712-C930 WeakPolarHBondContact CD-O 3.26Å; F927-C930 HydrophobicContact CB-CB 4.25Å; F927-C930 WeakPolarHBondContact O-CB 3.2Å; F927-C930 PolarHBondContact O-N 3.08Å; N928-C930 PolarHBondContact O-N 3.35Å
931H88.7Confident90.1Very high53 Ų5329.8 Ų29.825%0.24515%0.152CC..  trans-76.9148.5175.270.3-87.9000110.6L486 V590 F710 Y711L486-H931 HydrophobicContact CD1-CB 4.04Å; V590-H931 HydrophobicContact CG2-CB 4.46Å; F710-H931 CarbonylContact O-C 3.59Å; F710-H931 VanDerWaalsContact O-CA 3.22Å; F710-H931 WeakPolarHBondContact O-CA 3.32Å; Y711-H931 HydrophobicContact CD2-CB 3.78Å
932T90.9Very high89.8Confident35 Ų3526.7 Ų26.722%0.21514%0.142CC..EExtended strand (participates in β ladder)trans-133127.4173-62.80000108.5F710 L926 V934F710-T932 PolarHBondContact N-O 3.31Å; F710-T932 PolarHBondContact O-N 3.41Å; L926-T932 HydrophobicContact CD2-CG2 3.96Å; L926-T932 WeakPolarHBondContact CD2-OG1 3.1Å; T932-V934 HydrophobicContact CG2-CG2 4.36Å
933L94.1Very high90Very high17 Ų1726.9 Ų26.99%0.08914%0.143CC..EExtended strand (participates in β ladder)trans-105.9131.3177.5-64.3173.2000109L486 L487 E587 M707 L708 V709 Y935L486-L933 HydrophobicContact CB-CD2 4.45Å; L486-L933 HydrophobicContact CD1-CD2 4.15Å; L487-L933 HydrophobicContact CD2-CD1 4.45Å; E587-L933 HydrophobicContact CB-CD1 4.25Å; E587-L933 HydrophobicContact CG-CD1 3.86Å; M707-L933 HydrophobicContact CG-CD2 4.26Å; M707-L933 HydrophobicContact SD-CD2 3.96Å; L708-L933 WeakPolarHBondContact O-CA 3.37Å; V709-L933 HydrophobicContact CB-CD2 4.13Å; V709-L933 HydrophobicContact CG1-CD2 3.96Å; V709-L933 HydrophobicContact CG2-CD2 3.67Å; L933-Y935 HydrophobicContact CB-CD2 4.49Å; L933-Y935 HydrophobicContact CB-CE2 3.76Å; L933-Y935 WeakPolarHBondContact CD1-OH 3.38Å
934V95.8Very high90.2Very high0 Ų026.5 Ų26.50%014%0.141CC..EExtended strand (participates in β ladder)trans-123.4117.2173.8-173.40000108.3M707 L708 F710 W907 Q918 L923 T932M707-V934 CarbonylContact C-O 3.5Å; M707-V934 WeakPolarHBondContact CA-O 3.36Å; L708-V934 HydrophobicContact CB-CB 4.21Å; L708-V934 PolarHBondContact N-O 2.87Å; L708-V934 PolarHBondContact O-N 2.96Å; F710-V934 HydrophobicContact CD2-CG2 4.31Å; F710-V934 HydrophobicContact CE2-CG2 3.97Å; W907-V934 HydrophobicContact CZ2-CG1 4.13Å; Q918-V934 HydrophobicContact CG-CG1 3.56Å; L923-V934 HydrophobicContact CD1-CG2 4.11Å; L923-V934 HydrophobicContact CD2-CG1 4.25Å; L923-V934 HydrophobicContact CD2-CG2 3.62Å; T932-V934 HydrophobicContact CG2-CG2 4.36Å
935Y96.1Very high90.4Very high4 Ų423.7 Ų23.72%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-101.5153.9179.4-59.8-88.6000110.7L487 E587 C706 M707 Q918 A919 L933 L972 L975 A979L487-Y935 HydrophobicContact CD2-CE1 4.43Å; L487-Y935 WeakPolarHBondContact CD2-OH 3.48Å; E587-Y935 VanDerWaalsContact OE1-CE2 3.22Å; E587-Y935 WeakPolarHBondContact OE1-CE2 3.42Å; E587-Y935 PolarHBondContact OE1-OH 2.96Å; C706-Y935 CarbonylContact O-C 3.58Å; C706-Y935 VanDerWaalsContact O-CA 3.3Å; C706-Y935 WeakPolarHBondContact O-CA 3.29Å; M707-Y935 HydrophobicContact CB-CD1 4.08Å; M707-Y935 HydrophobicContact CB-CE1 4.17Å; M707-Y935 HydrophobicContact CG-CD1 4.26Å; M707-Y935 HydrophobicContact CG-CE1 3.99Å; M707-Y935 HydrophobicContact SD-CE1 3.97Å; Q918-Y935 CarbonylContact C-O 3.6Å; Q918-Y935 VanDerWaalsContact CA-O 3.3Å; Q918-Y935 WeakPolarHBondContact CA-O 3.47Å; Q918-Y935 WeakPolarHBondContact CG-O 3.14Å; A919-Y935 PolarHBondContact N-O 3.37Å; A919-Y935 PolarHBondContact O-N 3.35Å; L933-Y935 HydrophobicContact CB-CD2 4.49Å; L933-Y935 HydrophobicContact CB-CE2 3.76Å; L933-Y935 WeakPolarHBondContact CD1-OH 3.38Å; Y935-L972 HydrophobicContact CD1-CD1 3.87Å; Y935-L972 HydrophobicContact CE1-CD1 3.89Å; Y935-L975 HydrophobicContact CE1-CB 4.01Å; Y935-A979 HydrophobicContact CD2-CB 3.41Å; Y935-A979 VanDerWaalsContact CD2-CB 3.41Å; Y935-A979 HydrophobicContact CE2-CB 3.95Å; Y935-A979 HydrophobicContact CG-CB 3.91Å
936G95Very high90.4Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-166149.5165.800000115.2C706 V917 V938C706-G936 PolarHBondContact N-O 3.26Å; C706-G936 PolarHBondContact O-N 3.09Å; V917-G936 CarbonylContact O-C 3.56Å; V917-G936 WeakPolarHBondContact O-CA 3.48Å; G936-V938 PolarHBondContact O-N 2.76Å
937F93.8Very high90.5Very high27 Ų2726.2 Ų26.212%0.11814%0.139CC..EExtended strand (participates in β ladder)trans-82.8104162.6-66.9-61.1000108.3Q704 A705 V917 H973 T976 A977 L980 L1010 F1014Q704-F937 WeakPolarHBondContact O-CA 3.39Å; A705-F937 HydrophobicContact CB-CD1 4.23Å; A705-F937 HydrophobicContact CB-CE1 4.05Å; V917-F937 HydrophobicContact CB-CB 4.43Å; V917-F937 PolarHBondContact N-O 2.91Å; V917-F937 PolarHBondContact O-N 2.96Å; F937-H973 HydrophobicContact CE1-CB 4.35Å; F937-H973 AromaticContact CE1-CD2 3.72Å; F937-T976 HydrophobicContact CD1-CG2 4.06Å; F937-T976 HydrophobicContact CD2-CG2 3.88Å; F937-T976 HydrophobicContact CE1-CG2 3.89Å; F937-T976 HydrophobicContact CE2-CG2 3.72Å; F937-T976 HydrophobicContact CG-CG2 4.05Å; F937-T976 HydrophobicContact CZ-CG2 3.72Å; F937-A977 HydrophobicContact CZ-CB 4.41Å; F937-L980 HydrophobicContact CD2-CD1 3.58Å; F937-L980 HydrophobicContact CE2-CD1 3.57Å; F937-L1010 HydrophobicContact CE2-CD1 3.68Å; F937-L1010 HydrophobicContact CZ-CD1 4.13Å; F937-F1014 HydrophobicContact CE1-CZ 4.38Å; F937-F1014 AromaticContact CZ-CE2 3.87Å; F937-F1014 HydrophobicContact CZ-CE2 3.87Å; F937-F1014 HydrophobicContact CZ-CZ 4.16Å
938V91.4Very high90.5Very high0 Ų026.5 Ų26.50%014%0.143CC..  trans-132.796.2-173.2-165.40000109Q704 W907 Q909 P916 G936 H940 C941Q704-V938 PolarHBondContact O-N 2.94Å; W907-V938 HydrophobicContact CB-CG1 4Å; W907-V938 HydrophobicContact CD2-CG1 4.45Å; W907-V938 HydrophobicContact CD2-CG2 3.76Å; W907-V938 HydrophobicContact CE3-CG1 4.46Å; W907-V938 HydrophobicContact CE3-CG2 3.94Å; W907-V938 HydrophobicContact CG-CG1 4.3Å; W907-V938 HydrophobicContact CG-CG2 4.11Å; W907-V938 HydrophobicContact CZ2-CG2 4.4Å; W907-V938 HydrophobicContact CZ3-CG2 4.31Å; Q909-V938 HydrophobicContact CG-CG1 3.68Å; P916-V938 HydrophobicContact CB-CG1 4.22Å; P916-V938 HydrophobicContact CB-CG2 3.83Å; G936-V938 PolarHBondContact O-N 2.76Å; V938-H940 PolarHBondContact O-N 3.35Å; V938-C941 HydrophobicContact CB-CB 3.72Å; V938-C941 HydrophobicContact CG1-CB 3.47Å; V938-C941 VanDerWaalsContact CG1-CB 3.47Å; V938-C941 WeakPolarHBondContact O-CB 3.48Å; V938-C941 PolarHBondContact O-N 2.82Å
939P86.3Confident90.5Very high51 Ų5127.8 Ų27.833%0.33115%0.15SC..THydrogen-bonded Turntrans-59.7132.5-178.1-24.534.1000112.3C941P939-C941 PolarHBondContact O-N 3.04Å
940H84.9Confident90.7Very high82 Ų8227 Ų2738%0.3815%0.145SC..THydrogen-bonded Turntrans55.434178.4-46.9-63.5000114.4D702 F910 V938D702-H940 IonicContact OD1-CE1 3.74Å; F910-H940 WeakPolarHBondContact CD2-O 3.44Å; V938-H940 PolarHBondContact O-N 3.35Å
941C86.8Confident90.1Very high0 Ų032.8 Ų32.80%016%0.164CC..  trans-86.8135.6179.2-162.60000111.8M693 V938 P939 Q943M693-C941 HydrophobicContact CE-CB 4.23Å; V938-C941 HydrophobicContact CB-CB 3.72Å; V938-C941 HydrophobicContact CG1-CB 3.47Å; V938-C941 VanDerWaalsContact CG1-CB 3.47Å; V938-C941 WeakPolarHBondContact O-CB 3.48Å; V938-C941 PolarHBondContact O-N 2.82Å; P939-C941 PolarHBondContact O-N 3.04Å; C941-Q943 PolarHBondContact SG-O 2.98Å; C941-Q943 VanDerWaalsContact SG-O 3.35Å
942T84.3Confident89.5Confident45 Ų4532.6 Ų32.628%0.27618%0.177SC..  trans-134.5-5.8172.756.40000113.1T961T942-T961 PolarHBondContact O-N 3.41Å; T942-T961 PolarHBondContact O-OG1 3.45Å
943Q91.3Very high89.2Confident66 Ų6638 Ų3831%0.30820%0.2SC..EExtended strand (participates in β ladder)trans-145.7146.3-177.6-62-175.61.300110.7Q908 C941 V959Q908-Q943 HydrophobicContact CB-CB 4.11Å; Q908-Q943 WeakPolarHBondContact CB-O 3.31Å; Q908-Q943 HydrophobicContact CG-CB 4.23Å; Q908-Q943 PolarHBondContact N-O 2.98Å; C941-Q943 PolarHBondContact SG-O 2.98Å; C941-Q943 VanDerWaalsContact SG-O 3.35Å; Q943-V959 CarbonylContact C-O 3.5Å; Q943-V959 VanDerWaalsContact CA-O 3.28Å; Q943-V959 WeakPolarHBondContact CA-O 3.41Å
944A93Very high88.9Confident1 Ų146.3 Ų46.31%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-138.1158.7170.700000109.7M693 L708 V905 K906 W907 M958 V959M693-A944 HydrophobicContact SD-CB 4.26Å; L708-A944 HydrophobicContact CD1-CB 3.75Å; L708-A944 HydrophobicContact CD2-CB 3.95Å; L708-A944 HydrophobicContact CG-CB 4.4Å; V905-A944 HydrophobicContact CG1-CB 4.13Å; K906-A944 CarbonylContact O-C 3.4Å; K906-A944 WeakPolarHBondContact O-CA 3.49Å; W907-A944 HydrophobicContact CE3-CB 3.9Å; W907-A944 HydrophobicContact CZ3-CB 4.24Å; A944-M958 WeakPolarHBondContact O-CA 3.49Å; A944-V959 PolarHBondContact N-O 2.91Å; A944-V959 PolarHBondContact O-N 3.47Å
945T93.1Very high88.6Confident8 Ų848.5 Ų48.55%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-124.5119.9176-55.40000109.1V905 K906 Q908 L947 Q956 T957V905-T945 WeakPolarHBondContact CA-O 3.32Å; K906-T945 PolarHBondContact N-O 2.94Å; K906-T945 PolarHBondContact O-N 2.91Å; Q908-T945 PolarHBondContact NE2-OG1 3.21Å; T945-L947 HydrophobicContact CG2-CD2 4.13Å; T945-Q956 HydrophobicContact CG2-CG 3.77Å; T945-T957 CarbonylContact C-O 3.47Å; T945-T957 WeakPolarHBondContact CA-O 3.43Å
946L92.3Very high88.4Confident7 Ų755.2 Ų55.24%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-79.9131.6169.5-177.370.2000108.8F710 V903 V905 L926 Q956 T957F710-L946 HydrophobicContact CD1-CD2 3.83Å; F710-L946 HydrophobicContact CE1-CB 3.95Å; F710-L946 HydrophobicContact CE1-CD1 4.05Å; F710-L946 HydrophobicContact CE1-CD2 3.69Å; F710-L946 HydrophobicContact CE1-CG 4.11Å; F710-L946 HydrophobicContact CE2-CD1 4.08Å; F710-L946 HydrophobicContact CZ-CB 4.11Å; F710-L946 HydrophobicContact CZ-CD1 3.77Å; F710-L946 HydrophobicContact CZ-CD2 4.28Å; F710-L946 HydrophobicContact CZ-CG 4.27Å; V903-L946 HydrophobicContact CG1-CD1 3.62Å; V905-L946 HydrophobicContact CG2-CD1 4.13Å; L926-L946 HydrophobicContact CD1-CD2 4.05Å; L946-Q956 WeakPolarHBondContact O-CA 3.39Å; L946-T957 PolarHBondContact N-O 3.39Å; L946-T957 PolarHBondContact O-N 3.22Å
947L93.5Very high88.2Confident59 Ų5957.4 Ų57.431%0.30929%0.294SS..EExtended strand (participates in β ladder)trans-120.3144.2171.8-57.3171.9000108.2V903 S904 T945 L955 Q956V903-L947 CarbonylContact C-O 3.57Å; V903-L947 VanDerWaalsContact CA-O 3.31Å; V903-L947 WeakPolarHBondContact CA-O 3.17Å; S904-L947 PolarHBondContact N-O 3.15Å; S904-L947 PolarHBondContact O-N 3.22Å; T945-L947 HydrophobicContact CG2-CD2 4.13Å; L947-L955 CarbonylContact C-O 3.59Å; L947-L955 VanDerWaalsContact CA-O 3.31Å; L947-L955 WeakPolarHBondContact CA-O 3.5Å; L947-Q956 HydrophobicContact CD2-CB 4.07Å; L947-Q956 HydrophobicContact CD2-CG 3.72Å
948G91.8Very high88Confident9 Ų961.5 Ų61.59%0.09332%0.315CS..EExtended strand (participates in β ladder)trans-170.4176.1174.900000111.9S901 E954 L955S901-G948 WeakPolarHBondContact O-CA 3.46Å; G948-E954 WeakPolarHBondContact O-CA 3.46Å; G948-L955 PolarHBondContact N-O 3.34Å; G948-L955 PolarHBondContact O-N 3.1Å
949D88.1Confident88.1Confident46 Ų4661.8 Ų61.825%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-118.6117.5175.8-178.6-9.2000109.3C900 S901 G952 Q953C900-D949 CarbonylContact C-O 3.55Å; C900-D949 VanDerWaalsContact CA-O 3.27Å; C900-D949 WeakPolarHBondContact CA-O 3.43Å; S901-D949 PolarHBondContact N-O 3.36Å; S901-D949 PolarHBondContact O-N 2.89Å; S901-D949 PolarHBondContact OG-O 2.97Å; D949-G952 WeakPolarHBondContact OD1-CA 3.46Å; D949-G952 PolarHBondContact OD1-N 3.49Å; D949-Q953 PolarHBondContact OD1-N 2.68Å
950L85.8Confident88.2Confident40 Ų4062.5 Ų62.521%0.20932%0.323CS..EExtended strand (participates in β ladder)trans-110.3100.6174.2-174.668.2000108.9F714 C900 G952 Q953F714-L950 HydrophobicContact CB-CD1 4.45Å; F714-L950 HydrophobicContact CB-CD2 4.36Å; F714-L950 HydrophobicContact CD1-CD1 4.29Å; F714-L950 HydrophobicContact CD1-CD2 3.86Å; F714-L950 HydrophobicContact CD2-CD1 4.02Å; F714-L950 HydrophobicContact CE1-CD2 4.39Å; F714-L950 HydrophobicContact CE2-CD1 4.33Å; F714-L950 HydrophobicContact CG-CD1 4Å; F714-L950 HydrophobicContact CG-CD2 4.16Å; C900-L950 HydrophobicContact CB-CD1 4.17Å; L950-G952 PolarHBondContact O-N 2.85Å; L950-Q953 PolarHBondContact N-O 2.88Å; L950-Q953 WeakPolarHBondContact O-CB 3.17Å; L950-Q953 PolarHBondContact O-N 2.78Å; L950-Q953 VanDerWaalsContact O-N 3.14Å
951R75.5Confident88.3Confident139 Ų13959.2 Ų59.253%0.52531%0.309SS..THydrogen-bonded Turntrans57.540.5177.8-58.9178.2168.1-169.1-9.9114F716 Q953F716-R951 VanDerWaalsContact CD2-NH2 3.25Å; R951-Q953 VanDerWaalsContact C-N 3.32Å
952G76.4Confident88.4Confident49 Ų4962.4 Ų62.451%0.50533%0.329SS..THydrogen-bonded Turntrans83.35.3-178.300000114D949 L950D949-G952 WeakPolarHBondContact OD1-CA 3.46Å; D949-G952 PolarHBondContact OD1-N 3.49Å; L950-G952 PolarHBondContact O-N 2.85Å
953Q83Confident88.4Confident149 Ų14967.1 Ų67.170%0.69635%0.347SS*.EExtended strand (participates in β ladder)trans-108127.8175.1-60.4-175.1700110.2D949 L950 R951 L955D949-Q953 PolarHBondContact OD1-N 2.68Å; L950-Q953 PolarHBondContact N-O 2.88Å; L950-Q953 WeakPolarHBondContact O-CB 3.17Å; L950-Q953 PolarHBondContact O-N 2.78Å; L950-Q953 VanDerWaalsContact O-N 3.14Å; R951-Q953 VanDerWaalsContact C-N 3.32Å; Q953-L955 PolarHBondContact O-N 3.03Å
954E89.1Confident88Confident190 Ų19068.9 Ų68.989%0.88836%0.358SS*.EExtended strand (participates in β ladder)trans-66.3119.4175-69.5-172.6165.300110.8G948G948-E954 WeakPolarHBondContact O-CA 3.46Å
955L89Confident87.8Confident46 Ų4669.2 Ų69.224%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-92.7122.6170.3-179.368.6000108.9F714 L947 G948 Q953F714-L955 HydrophobicContact CE1-CD2 4.2Å; L947-L955 CarbonylContact C-O 3.59Å; L947-L955 VanDerWaalsContact CA-O 3.31Å; L947-L955 WeakPolarHBondContact CA-O 3.5Å; G948-L955 PolarHBondContact N-O 3.34Å; G948-L955 PolarHBondContact O-N 3.1Å; Q953-L955 PolarHBondContact O-N 3.03Å
956Q91.9Very high87.8Confident145 Ų14572.4 Ų72.468%0.67837%0.373SS*.EExtended strand (participates in β ladder)trans-128.7116.8172.2-178.617417.700109.9T945 L946 L947T945-Q956 HydrophobicContact CG2-CG 3.77Å; L946-Q956 WeakPolarHBondContact O-CA 3.39Å; L947-Q956 HydrophobicContact CD2-CB 4.07Å; L947-Q956 HydrophobicContact CD2-CG 3.72Å
957T89.9Confident87.8Confident46 Ų4673.4 Ų73.428%0.28238%0.38SS..EExtended strand (participates in β ladder)trans-131123.4179.9-59.70000110.8P691 T945 L946P691-T957 HydrophobicContact CG-CG2 4.24Å; T945-T957 CarbonylContact C-O 3.47Å; T945-T957 WeakPolarHBondContact CA-O 3.43Å; L946-T957 PolarHBondContact N-O 3.39Å; L946-T957 PolarHBondContact O-N 3.22Å
958M91.3Very high87.8Confident113 Ų11379.4 Ų79.456%0.55740%0.398SS*.EExtended strand (participates in β ladder)trans-87.9136.6174.1-172.6-179.6-62.100110.4A944A944-M958 WeakPolarHBondContact O-CA 3.49Å
959V91.8Very high87.8Confident7 Ų779.9 Ų79.94%0.04240%0.402CS..EExtended strand (participates in β ladder)trans-119.3129.3176.4-169.70000108.3P691 M693 L708 F710 Q943 A944P691-V959 HydrophobicContact CB-CG2 3.66Å; M693-V959 HydrophobicContact CB-CG1 3.75Å; L708-V959 HydrophobicContact CD2-CB 4.08Å; L708-V959 HydrophobicContact CD2-CG1 4.06Å; L708-V959 HydrophobicContact CD2-CG2 4.45Å; F710-V959 HydrophobicContact CE1-CG2 4.28Å; Q943-V959 CarbonylContact C-O 3.5Å; Q943-V959 VanDerWaalsContact CA-O 3.28Å; Q943-V959 WeakPolarHBondContact CA-O 3.41Å; A944-V959 PolarHBondContact N-O 2.91Å; A944-V959 PolarHBondContact O-N 3.47Å
960S89.2Confident88.1Confident65 Ų6579.8 Ų79.846%0.45540%0.404SS..EExtended strand (participates in β ladder)trans-120.8142.6178.460.30000111.4
961T88.3Confident88.4Confident14 Ų1478.7 Ų78.79%0.08640%0.398CS..  trans-82.3123.1176.6-49.80000111.3M693 V695 T942 Q965 K966M693-T961 WeakPolarHBondContact CE-OG1 3.49Å; M693-T961 WeakPolarHBondContact CG-OG1 3.47Å; M693-T961 PolarHBondContact SD-OG1 3.36Å; V695-T961 HydrophobicContact CB-CG2 4.17Å; V695-T961 HydrophobicContact CG2-CG2 3.81Å; V695-T961 WeakPolarHBondContact CG2-OG1 3.3Å; T942-T961 PolarHBondContact O-N 3.41Å; T942-T961 PolarHBondContact O-OG1 3.45Å; T961-Q965 HydrophobicContact CG2-CB 3.81Å; T961-K966 HydrophobicContact CG2-CG 3.83Å
962T87.1Confident89.3Confident67 Ų6772.1 Ų72.141%0.41137%0.373SS..  trans-80.4166.1170.668.10000111.7L964 Q965T962-L964 PolarHBondContact O-N 3.38Å; T962-Q965 VanDerWaalsContact N-OE1 3.09Å; T962-Q965 PolarHBondContact O-N 2.87Å; T962-Q965 WeakPolarHBondContact OG1-CG 3.48Å; T962-Q965 PolarHBondContact OG1-OE1 3.22Å
963E84.9Confident90.1Very high144 Ų14469.8 Ų69.867%0.67335%0.348SS*.G310 helixtrans-60.7-30.3175.7-65.7-55.1128.900113Q965 K966E963-Q965 PolarHBondContact O-N 2.98Å; E963-K966 PolarHBondContact O-N 3.3Å; E963-K966 IonicContact OE1-NZ 3.38Å; E963-K966 PolarHBondContact OE1-NZ 3.03Å; E963-K966 IonicContact OE2-NZ 3.24Å
964L82.7Confident90.7Very high102 Ų10264.3 Ų64.353%0.53432%0.322SS..G310 helixtrans-67.8-21.4176.6-67.2175.3000113T962T962-L964 PolarHBondContact O-N 3.38Å
965Q89.7Confident90.8Very high8 Ų855.5 Ų55.54%0.03728%0.281CS..G310 helixtrans-100.77.9-178.2-63.8165.8-69.300112.4P642 M693 W694 V695 T961 T962 E963P642-Q965 HydrophobicContact CB-CG 4.48Å; M693-Q965 VanDerWaalsContact O-CB 3.32Å; M693-Q965 WeakPolarHBondContact O-CB 3.44Å; M693-Q965 PolarHBondContact O-NE2 3.36Å; W694-Q965 WeakPolarHBondContact CA-O 3.28Å; W694-Q965 HydrophobicContact CD2-CB 4.05Å; W694-Q965 HydrophobicContact CD2-CG 4.23Å; W694-Q965 HydrophobicContact CE3-CB 4.08Å; W694-Q965 HydrophobicContact CG-CB 4.42Å; W694-Q965 HydrophobicContact CZ2-CG 4.29Å; W694-Q965 HydrophobicContact CZ3-CB 4.49Å; V695-Q965 PolarHBondContact N-O 3.07Å; T961-Q965 HydrophobicContact CG2-CB 3.81Å; T962-Q965 VanDerWaalsContact N-OE1 3.09Å; T962-Q965 PolarHBondContact O-N 2.87Å; T962-Q965 WeakPolarHBondContact OG1-CG 3.48Å; T962-Q965 PolarHBondContact OG1-OE1 3.22Å; E963-Q965 PolarHBondContact O-N 2.98Å
966K91.9Very high91.1Very high75 Ų7553.3 Ų53.333%0.32627%0.27SS..EExtended strand (participates in β ladder)trans-98.4119.8172.5-67.9177.2-172.9170.80109.4V695 T961 E963V695-K966 CarbonylContact O-C 3.5Å; V695-K966 VanDerWaalsContact O-CA 3.32Å; V695-K966 WeakPolarHBondContact O-CA 3.42Å; T961-K966 HydrophobicContact CG2-CG 3.83Å; E963-K966 PolarHBondContact O-N 3.3Å; E963-K966 IonicContact OE1-NZ 3.38Å; E963-K966 PolarHBondContact OE1-NZ 3.03Å; E963-K966 IonicContact OE2-NZ 3.24Å
967T92.6Very high91.2Very high29 Ų2946.4 Ų46.418%0.17824%0.238CC..EExtended strand (participates in β ladder)trans-120.1165179.760.70000110.9M484 W694 V695 E696 K697M484-T967 HydrophobicContact SD-CG2 3.83Å; W694-T967 HydrophobicContact CE3-CG2 4.02Å; W694-T967 HydrophobicContact CZ3-CG2 3.87Å; V695-T967 PolarHBondContact O-N 3.3Å; E696-T967 WeakPolarHBondContact CA-O 3.44Å; E696-T967 WeakPolarHBondContact CA-OG1 3.45Å; E696-T967 WeakPolarHBondContact CB-OG1 3.48Å; E696-T967 WeakPolarHBondContact CG-OG1 3.48Å; K697-T967 PolarHBondContact N-O 3.48Å
968R93.3Very high91.3Very high185 Ų18545.7 Ų45.770%0.69823%0.23SC*.EExtended strand (participates in β ladder)trans-128.5123.7172.6-176.4177.7178.5-118.9-2.9108.4K697 P699K697-R968 WeakPolarHBondContact O-CA 3.13Å; P699-R968 PolarHBondContact O-NH2 3.45Å
969G93Very high91.4Very high18 Ų1841.1 Ų41.119%0.18621%0.21CC..SBendtrans161.7-165.1-172.500000112.3E696 K697 P699 H973E696-G969 VanDerWaalsContact CD-O 3.25Å; E696-G969 WeakPolarHBondContact CG-O 3.29Å; E696-G969 VanDerWaalsContact OE2-C 3.31Å; K697-G969 PolarHBondContact O-N 3.28Å; P699-G969 VanDerWaalsContact CD-O 3.32Å; P699-G969 WeakPolarHBondContact CD-O 3.43Å; G969-H973 PolarHBondContact O-ND1 3.39Å
970T93Very high91.5Very high45 Ų4541.5 Ų41.528%0.27621%0.212SC..SBendtrans-125.2917758.20000112.4E696 P699 K974E696-T970 WeakPolarHBondContact OE1-CA 3.42Å; E696-T970 PolarHBondContact OE1-N 3Å; E696-T970 PolarHBondContact OE2-N 2.95Å; P699-T970 HydrophobicContact CG-CG2 4.13Å; T970-K974 WeakPolarHBondContact O-CB 3.48Å; T970-K974 VanDerWaalsContact O-CG 3.22Å; T970-K974 WeakPolarHBondContact O-CG 3.29Å; T970-K974 PolarHBondContact O-N 3.42Å
971F92.6Very high91.7Very high17 Ų1738.4 Ų38.48%0.07519%0.19CC..Hα-helixtrans-67.8-53.6-175.5172.4-152.5000111M484 L487 S488 Q489 V585 E696 H973 K974 L975M484-F971 HydrophobicContact CB-CD1 4.48Å; M484-F971 HydrophobicContact CB-CE1 3.81Å; M484-F971 HydrophobicContact CE-CD1 4.13Å; M484-F971 HydrophobicContact CE-CE1 4.18Å; L487-F971 HydrophobicContact CB-CE1 4.08Å; L487-F971 HydrophobicContact CB-CE2 4.26Å; L487-F971 HydrophobicContact CB-CZ 3.51Å; S488-F971 WeakPolarHBondContact O-CE2 3.46Å; Q489-F971 HydrophobicContact CB-CD2 3.78Å; Q489-F971 HydrophobicContact CB-CE1 4.36Å; Q489-F971 HydrophobicContact CB-CE2 3.62Å; Q489-F971 HydrophobicContact CB-CG 4.27Å; Q489-F971 HydrophobicContact CB-CZ 3.92Å; V585-F971 HydrophobicContact CB-CD2 4.46Å; V585-F971 HydrophobicContact CB-CE2 4.12Å; V585-F971 HydrophobicContact CG1-CD2 3.69Å; V585-F971 HydrophobicContact CG1-CE2 3.74Å; E696-F971 PolarHBondContact OE1-N 3.42Å; E696-F971 PolarHBondContact OE2-N 3.29Å; F971-H973 VanDerWaalsContact C-N 3.33Å; F971-K974 PolarHBondContact O-N 2.8Å; F971-L975 HydrophobicContact CD2-CD1 4.12Å; F971-L975 HydrophobicContact CE2-CD1 3.53Å; F971-L975 HydrophobicContact CE2-CG 4.47Å; F971-L975 HydrophobicContact CZ-CD1 4.14Å; F971-L975 PolarHBondContact O-N 3.09Å
972L94.3Very high91.7Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-70.5-30.8176.6177.456.6000112M484 L487 W694 E696 A705 M707 Y935 L975 T976M484-L972 HydrophobicContact CE-CB 4.26Å; L487-L972 HydrophobicContact CD1-CD1 3.93Å; W694-L972 HydrophobicContact CB-CD2 4.22Å; E696-L972 HydrophobicContact CB-CB 3.71Å; E696-L972 HydrophobicContact CB-CD2 3.95Å; E696-L972 HydrophobicContact CB-CG 4.27Å; E696-L972 VanDerWaalsContact CD-N 3.33Å; E696-L972 HydrophobicContact CG-CB 4.37Å; E696-L972 WeakPolarHBondContact OE1-CA 3.48Å; E696-L972 WeakPolarHBondContact OE1-CB 3.37Å; E696-L972 PolarHBondContact OE1-N 3.28Å; E696-L972 PolarHBondContact OE2-N 3.25Å; A705-L972 HydrophobicContact CB-CB 4.45Å; A705-L972 HydrophobicContact CB-CD2 4.42Å; A705-L972 HydrophobicContact CB-CG 3.93Å; A705-L972 WeakPolarHBondContact O-CD2 3.27Å; M707-L972 HydrophobicContact CB-CD1 3.6Å; M707-L972 HydrophobicContact CB-CD2 4.14Å; Y935-L972 HydrophobicContact CD1-CD1 3.87Å; Y935-L972 HydrophobicContact CE1-CD1 3.89Å; L972-L975 PolarHBondContact O-N 3.41Å; L972-T976 WeakPolarHBondContact O-CB 3.34Å; L972-T976 PolarHBondContact O-N 2.89Å; L972-T976 PolarHBondContact O-OG1 3.02Å
973H94.6Very high91.9Very high0 Ų040.6 Ų40.60%019%0.19CC..Hα-helixtrans-60.4-44.7172.6-70.673.1000111.8E696 H698 A705 F937 G969 F971 T976 A977 F1014E696-H973 PolarHBondContact O-CE1 3.21Å; E696-H973 IonicContact OE1-CE1 2.71Å; E696-H973 IonicContact OE1-CG 2.82Å; E696-H973 PolarHBondContact OE1-N 3.11Å; E696-H973 IonicContact OE1-ND1 3.86Å; E696-H973 PolarHBondContact OE1-ND1 2.9Å; H698-H973 PolarHBondContact N-CE1 2.95Å; H698-H973 VanDerWaalsContact N-CE1 3.31Å; A705-H973 HydrophobicContact CB-CB 4.23Å; F937-H973 HydrophobicContact CE1-CB 4.35Å; F937-H973 AromaticContact CE1-CD2 3.72Å; G969-H973 PolarHBondContact O-ND1 3.39Å; F971-H973 VanDerWaalsContact C-N 3.33Å; H973-T976 PolarHBondContact O-N 2.99Å; H973-A977 WeakPolarHBondContact O-CB 3.37Å; H973-A977 PolarHBondContact O-N 3.31Å; H973-F1014 HydrophobicContact CB-CD1 4.08Å; H973-F1014 HydrophobicContact CB-CE1 3.48Å; H973-F1014 VanDerWaalsContact CB-CE1 3.48Å; H973-F1014 HydrophobicContact CB-CZ 3.98Å
974K93.8Very high92.2Very high34 Ų3434.2 Ų34.215%0.14816%0.16CC..Hα-helixtrans-61.8-43.9176.8-76.3172170.3-160.90111.7C519 V585 T970 F971 A977 R978 F1014 I1016C519-K974 HydrophobicContact CB-CD 3.8Å; C519-K974 HydrophobicContact CB-CG 4.44Å; C519-K974 PolarHBondContact O-NZ 3.35Å; C519-K974 PolarHBondContact SG-NZ 3Å; C519-K974 VanDerWaalsContact SG-NZ 3.42Å; V585-K974 HydrophobicContact CG2-CB 4.5Å; T970-K974 WeakPolarHBondContact O-CB 3.48Å; T970-K974 VanDerWaalsContact O-CG 3.22Å; T970-K974 WeakPolarHBondContact O-CG 3.29Å; T970-K974 PolarHBondContact O-N 3.42Å; F971-K974 PolarHBondContact O-N 2.8Å; K974-A977 PolarHBondContact O-N 3.05Å; K974-R978 PolarHBondContact O-N 3.29Å; K974-F1014 HydrophobicContact CG-CB 4.18Å; K974-F1014 HydrophobicContact CG-CD1 4.21Å; K974-I1016 HydrophobicContact CB-CD1 4.22Å; K974-I1016 WeakPolarHBondContact O-CD1 3.03Å
975L93.2Very high92.4Very high5 Ų531 Ų313%0.02614%0.143CC..Hα-helixtrans-67-39.3176-80.7162.8000112.9L487 V585 Y935 F971 L972 A977 R978 A979L487-L975 HydrophobicContact CB-CD1 3.77Å; L487-L975 HydrophobicContact CD1-CD1 3.51Å; L487-L975 HydrophobicContact CD2-CD1 3.65Å; L487-L975 HydrophobicContact CG-CD1 3.81Å; V585-L975 HydrophobicContact CB-CD1 4.37Å; V585-L975 HydrophobicContact CB-CD2 4.05Å; V585-L975 HydrophobicContact CB-CG 3.96Å; V585-L975 HydrophobicContact CG2-CD2 3.83Å; V585-L975 HydrophobicContact CG2-CG 3.88Å; Y935-L975 HydrophobicContact CE1-CB 4.01Å; F971-L975 HydrophobicContact CD2-CD1 4.12Å; F971-L975 HydrophobicContact CE2-CD1 3.53Å; F971-L975 HydrophobicContact CE2-CG 4.47Å; F971-L975 HydrophobicContact CZ-CD1 4.14Å; F971-L975 PolarHBondContact O-N 3.09Å; L972-L975 PolarHBondContact O-N 3.41Å; L975-A977 VanDerWaalsContact C-N 3.31Å; L975-A977 PolarHBondContact O-N 2.99Å; L975-R978 PolarHBondContact O-N 3.05Å; L975-A979 WeakPolarHBondContact O-CB 3.14Å; L975-A979 PolarHBondContact O-N 2.96Å
976T95.1Very high92Very high0 Ų033.7 Ų33.70%016%0.157CC..Hα-helixtrans-60.9-43.2174.1-58.70000110.9F937 L972 H973 A979 L980F937-T976 HydrophobicContact CD1-CG2 4.06Å; F937-T976 HydrophobicContact CD2-CG2 3.88Å; F937-T976 HydrophobicContact CE1-CG2 3.89Å; F937-T976 HydrophobicContact CE2-CG2 3.72Å; F937-T976 HydrophobicContact CG-CG2 4.05Å; F937-T976 HydrophobicContact CZ-CG2 3.72Å; L972-T976 WeakPolarHBondContact O-CB 3.34Å; L972-T976 PolarHBondContact O-N 2.89Å; L972-T976 PolarHBondContact O-OG1 3.02Å; H973-T976 PolarHBondContact O-N 2.99Å; T976-A979 PolarHBondContact O-N 3.42Å; T976-L980 HydrophobicContact CG2-CD1 4.24Å; T976-L980 WeakPolarHBondContact O-CG 3.24Å; T976-L980 PolarHBondContact O-N 2.97Å
977A94Very high91.7Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-63-45.4174.700000112.1F937 H973 K974 L975 A979 L980 I981 L1010 F1014 I1016F937-A977 HydrophobicContact CZ-CB 4.41Å; H973-A977 WeakPolarHBondContact O-CB 3.37Å; H973-A977 PolarHBondContact O-N 3.31Å; K974-A977 PolarHBondContact O-N 3.05Å; L975-A977 VanDerWaalsContact C-N 3.31Å; L975-A977 PolarHBondContact O-N 2.99Å; A977-A979 VanDerWaalsContact C-N 3.35Å; A977-A979 PolarHBondContact O-N 2.96Å; A977-L980 PolarHBondContact O-N 3.26Å; A977-I981 VanDerWaalsContact O-CG1 3.27Å; A977-I981 WeakPolarHBondContact O-CG1 3.46Å; A977-I981 PolarHBondContact O-N 3.23Å; A977-L1010 HydrophobicContact CB-CD1 3.88Å; A977-L1010 HydrophobicContact CB-CD2 4.08Å; A977-L1010 HydrophobicContact CB-CG 3.77Å; A977-F1014 HydrophobicContact CB-CB 4Å; A977-F1014 HydrophobicContact CB-CD2 3.53Å; A977-F1014 HydrophobicContact CB-CE2 4.29Å; A977-F1014 HydrophobicContact CB-CG 3.89Å; A977-I1016 HydrophobicContact CB-CD1 3.65Å
978R91.8Very high91.3Very high32 Ų3229.7 Ų29.712%0.12114%0.141CC..Hα-helixtrans-60.9-42.6175.2177.658.3177.3152.15.2111.8A517 K974 L975 L980 I981 R982 E985 I1016A517-R978 HydrophobicContact CB-CB 4.29Å; A517-R978 HydrophobicContact CB-CG 3.77Å; K974-R978 PolarHBondContact O-N 3.29Å; L975-R978 PolarHBondContact O-N 3.05Å; R978-L980 VanDerWaalsContact C-N 3.34Å; R978-L980 PolarHBondContact O-N 2.9Å; R978-I981 PolarHBondContact O-N 3.36Å; R978-R982 WeakPolarHBondContact O-CB 3.39Å; R978-R982 PolarHBondContact O-N 3.33Å; R978-E985 IonicContact NH1-OE2 2.77Å; R978-I1016 HydrophobicContact CB-CD1 4.24Å; R978-I1016 HydrophobicContact CB-CG2 4.34Å
979A92.9Very high91Very high17 Ų1721.3 Ų21.314%0.1411%0.11CC..Hα-helixtrans-62.2-41.6178.200000111.6A919 Y935 L975 T976 A977 R982 D983A919-A979 VanDerWaalsContact CB-C 3.49Å; A919-A979 HydrophobicContact CB-CB 3.86Å; A919-A979 WeakPolarHBondContact CB-O 3.2Å; Y935-A979 HydrophobicContact CD2-CB 3.41Å; Y935-A979 VanDerWaalsContact CD2-CB 3.41Å; Y935-A979 HydrophobicContact CE2-CB 3.95Å; Y935-A979 HydrophobicContact CG-CB 3.91Å; L975-A979 WeakPolarHBondContact O-CB 3.14Å; L975-A979 PolarHBondContact O-N 2.96Å; T976-A979 PolarHBondContact O-N 3.42Å; A977-A979 VanDerWaalsContact C-N 3.35Å; A977-A979 PolarHBondContact O-N 2.96Å; A979-R982 PolarHBondContact O-N 3.5Å; A979-D983 VanDerWaalsContact O-CB 3.31Å; A979-D983 WeakPolarHBondContact O-CB 3.37Å; A979-D983 PolarHBondContact O-N 3.1Å
980L94.1Very high90.7Very high15 Ų1522 Ų228%0.07911%0.109CC..Hα-helixtrans-66.6-42.2175.3-75.5163.3000112.9V917 A919 F937 T976 A977 R978 R982 D983 Y984 L1010V917-L980 HydrophobicContact CG1-CD1 3.82Å; V917-L980 HydrophobicContact CG1-CD2 3.6Å; V917-L980 HydrophobicContact CG1-CG 4.39Å; A919-L980 HydrophobicContact CB-CB 4.48Å; A919-L980 HydrophobicContact CB-CD2 3.79Å; A919-L980 HydrophobicContact CB-CG 3.91Å; F937-L980 HydrophobicContact CD2-CD1 3.58Å; F937-L980 HydrophobicContact CE2-CD1 3.57Å; T976-L980 HydrophobicContact CG2-CD1 4.24Å; T976-L980 WeakPolarHBondContact O-CG 3.24Å; T976-L980 PolarHBondContact O-N 2.97Å; A977-L980 PolarHBondContact O-N 3.26Å; R978-L980 VanDerWaalsContact C-N 3.34Å; R978-L980 PolarHBondContact O-N 2.9Å; L980-R982 VanDerWaalsContact C-N 3.33Å; L980-D983 PolarHBondContact O-N 2.91Å; L980-Y984 WeakPolarHBondContact O-CB 3.27Å; L980-Y984 PolarHBondContact O-N 3.27Å; L980-L1010 HydrophobicContact CB-CD2 3.86Å; L980-L1010 HydrophobicContact CD1-CD2 4.06Å
981I92.1Very high89.8Confident0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-61.4-44.8174.5-66.9166.4000110.1A977 R978 Y984 E985 I1007 L1010 I1016A977-I981 VanDerWaalsContact O-CG1 3.27Å; A977-I981 WeakPolarHBondContact O-CG1 3.46Å; A977-I981 PolarHBondContact O-N 3.23Å; R978-I981 PolarHBondContact O-N 3.36Å; I981-Y984 WeakPolarHBondContact O-CB 3.29Å; I981-Y984 PolarHBondContact O-N 2.79Å; I981-E985 HydrophobicContact CG2-CG 4.36Å; I981-E985 WeakPolarHBondContact O-CB 3.41Å; I981-E985 VanDerWaalsContact O-CG 3.3Å; I981-E985 WeakPolarHBondContact O-CG 3.06Å; I981-E985 PolarHBondContact O-N 3.39Å; I981-I1007 HydrophobicContact CG1-CD1 4.36Å; I981-I1007 HydrophobicContact CG1-CG2 4.25Å; I981-L1010 HydrophobicContact CG1-CD2 4.35Å; I981-I1016 HydrophobicContact CD1-CB 4.06Å; I981-I1016 HydrophobicContact CD1-CG2 3.73Å
982R89.1Confident89Confident110 Ų11026.1 Ų26.142%0.41513%0.132SC..Hα-helixtrans-66.2-40178.2-173.5-178.1179.5-171.32112.4R978 A979 L980 Y984 E985 D986 G987R978-R982 WeakPolarHBondContact O-CB 3.39Å; R978-R982 PolarHBondContact O-N 3.33Å; A979-R982 PolarHBondContact O-N 3.5Å; L980-R982 VanDerWaalsContact C-N 3.33Å; R982-Y984 PolarHBondContact O-N 3.37Å; R982-E985 PolarHBondContact O-N 3.3Å; R982-D986 PolarHBondContact O-N 3.07Å; R982-G987 PolarHBondContact O-N 3.4Å
983D91.4Very high88.1Confident16 Ų1628 Ų289%0.08614%0.141CC..Hα-helixtrans-67.9-28.4176.4-165.446.7000111.8A919 K921 A979 L980 G987A919-D983 HydrophobicContact CB-CB 4.04Å; K921-D983 VanDerWaalsContact CB-OD2 3.3Å; K921-D983 WeakPolarHBondContact CB-OD2 3.31Å; K921-D983 PolarHBondContact N-OD2 2.89Å; A979-D983 VanDerWaalsContact O-CB 3.31Å; A979-D983 WeakPolarHBondContact O-CB 3.37Å; A979-D983 PolarHBondContact O-N 3.1Å; L980-D983 PolarHBondContact O-N 2.91Å; D983-G987 CarbonylContact O-C 3.59Å; D983-G987 WeakPolarHBondContact O-CA 3.48Å; D983-G987 PolarHBondContact O-N 3.35Å; D983-G987 WeakPolarHBondContact OD1-CA 3.26Å
984Y91.4Very high87Confident11 Ų1128.7 Ų28.74%0.04315%0.147CC..Hα-helixtrans-70.7-46.7168.6175.8-79.9000112.7L980 I981 R982 K1000 L1003 I1007 F1020L980-Y984 WeakPolarHBondContact O-CB 3.27Å; L980-Y984 PolarHBondContact O-N 3.27Å; I981-Y984 WeakPolarHBondContact O-CB 3.29Å; I981-Y984 PolarHBondContact O-N 2.79Å; R982-Y984 PolarHBondContact O-N 3.37Å; Y984-K1000 HydrophobicContact CD2-CG 4.39Å; Y984-K1000 HydrophobicContact CE2-CB 3.9Å; Y984-K1000 HydrophobicContact CE2-CG 4.08Å; Y984-K1000 WeakPolarHBondContact CE2-O 3.41Å; Y984-K1000 VanDerWaalsContact O-CE 3.23Å; Y984-K1000 WeakPolarHBondContact O-CE 3.46Å; Y984-K1000 PolarHBondContact OH-O 2.66Å; Y984-L1003 HydrophobicContact CD2-CB 3.76Å; Y984-L1003 HydrophobicContact CD2-CD1 4.44Å; Y984-L1003 HydrophobicContact CE2-CB 3.78Å; Y984-I1007 HydrophobicContact CD1-CG1 4.24Å; Y984-I1007 HydrophobicContact CD2-CD1 4.23Å; Y984-I1007 HydrophobicContact CD2-CG1 3.49Å; Y984-I1007 VanDerWaalsContact CD2-CG1 3.49Å; Y984-I1007 HydrophobicContact CE2-CG1 3.99Å; Y984-I1007 HydrophobicContact CG-CD1 4.13Å; Y984-I1007 HydrophobicContact CG-CG1 3.62Å; Y984-F1020 HydrophobicContact CD1-CE2 4.42Å; Y984-F1020 AromaticContact CE1-CE2 3.5Å; Y984-F1020 HydrophobicContact CE1-CE2 3.5Å; Y984-F1020 VanDerWaalsContact CE1-CE2 3.5Å; Y984-F1020 AromaticContact CE1-CZ 3.87Å; Y984-F1020 HydrophobicContact CE1-CZ 3.87Å; Y984-F1020 AromaticContact CZ-CE2 3.7Å; Y984-F1020 AromaticContact CZ-CZ 3.98Å; Y984-F1020 WeakPolarHBondContact OH-CE2 3.45Å; Y984-F1020 WeakPolarHBondContact OH-CZ 3.42Å
985E86.3Confident86.3Confident35 Ų3528.4 Ų28.416%0.16415%0.146CC..Hα-helixtrans-69.9-47.4-175.5-73.1172.1162.300111.6R978 I981 R982 S1018 Q1019R978-E985 IonicContact NH1-OE2 2.77Å; I981-E985 HydrophobicContact CG2-CG 4.36Å; I981-E985 WeakPolarHBondContact O-CB 3.41Å; I981-E985 VanDerWaalsContact O-CG 3.3Å; I981-E985 WeakPolarHBondContact O-CG 3.06Å; I981-E985 PolarHBondContact O-N 3.39Å; R982-E985 PolarHBondContact O-N 3.3Å; E985-S1018 WeakPolarHBondContact OE1-CA 3.43Å; E985-Q1019 HydrophobicContact CG-CG 4.28Å; E985-Q1019 PolarHBondContact OE1-N 3.07Å
986D82.6Confident85.9Confident64 Ų6428.5 Ų28.534%0.34215%0.146SC..THydrogen-bonded Turntrans-121.1-13.1-171.4-74.6-48.5000113.7R859 R863 R982R859-D986 IonicContact NH1-OD1 3.97Å; R859-D986 PolarHBondContact NH1-OD1 3.34Å; R863-D986 PolarHBondContact NH1-O 2.98Å; R863-D986 PolarHBondContact NH2-O 2.97Å; R982-D986 PolarHBondContact O-N 3.07Å
987G84.1Confident85.1Confident11 Ų1130.2 Ų30.211%0.11316%0.155CC..SBendtrans-78.4-165.2-170.900000115.1R982 D983 H996R982-G987 PolarHBondContact O-N 3.4Å; D983-G987 CarbonylContact O-C 3.59Å; D983-G987 WeakPolarHBondContact O-CA 3.48Å; D983-G987 PolarHBondContact O-N 3.35Å; D983-G987 WeakPolarHBondContact OD1-CA 3.26Å; G987-H996 PolarHBondContact O-CE1 3.14Å; G987-H996 VanDerWaalsContact O-CE1 3.28Å
988N85.2Confident84.3Confident8 Ų830.3 Ų30.34%0.04316%0.155CC..  trans-124.5101.2175.1-168.84000111.8H860 Q922 D990H860-N988 PolarHBondContact CD2-OD1 3.49Å; H860-N988 PolarHBondContact NE2-OD1 3.02Å; H860-N988 VanDerWaalsContact NE2-OD1 3.12Å; Q922-N988 VanDerWaalsContact CG-O 3.26Å; Q922-N988 WeakPolarHBondContact CG-O 3.25Å; N988-D990 PolarHBondContact OD1-N 3.15Å; N988-D990 PolarHBondContact OD1-O 3.19Å
989L87.1Confident83.9Confident9 Ų931.5 Ų31.55%0.04716%0.161CC..SBendtrans-81.6-19.3-178.7-54.9179000115K921 H996 K999 K1000 L1003K921-L989 HydrophobicContact CB-CD2 4.43Å; L989-H996 PolarHBondContact N-ND1 2.79Å; L989-H996 VanDerWaalsContact N-ND1 3.14Å; L989-K999 HydrophobicContact CB-CB 4.16Å; L989-K999 HydrophobicContact CB-CD 4.13Å; L989-K999 HydrophobicContact CD1-CB 4.12Å; L989-K999 WeakPolarHBondContact O-CD 3.22Å; L989-K999 PolarHBondContact O-NZ 3.28Å; L989-K1000 HydrophobicContact CD1-CG 3.7Å; L989-L1003 HydrophobicContact CD1-CD1 3.94Å; L989-L1003 HydrophobicContact CD2-CD1 4.32Å
990D85.3Confident83.5Confident33 Ų3332.5 Ų32.518%0.17616%0.162CC..  trans-156.4154.3179.7-160-89.8000112.6H860 N988 T992 E995 H996 K999H860-D990 PolarHBondContact NE2-O 3.41Å; N988-D990 PolarHBondContact OD1-N 3.15Å; N988-D990 PolarHBondContact OD1-O 3.19Å; D990-T992 PolarHBondContact O-N 3.44Å; D990-T992 PolarHBondContact OD1-N 3.22Å; D990-T992 PolarHBondContact OD1-OG1 3.2Å; D990-T992 VanDerWaalsContact OD1-OG1 3.08Å; D990-E995 HydrophobicContact CB-CB 3.87Å; D990-H996 HydrophobicContact CB-CB 4.25Å; D990-K999 HydrophobicContact CB-CD 4.22Å; D990-K999 IonicContact OD2-NZ 2.97Å; D990-K999 PolarHBondContact OD2-NZ 3.06Å
991I75.2Confident82.8Confident79 Ų7933.4 Ų33.441%0.40517%0.172SC..SBendtrans-65.7-30.3178.1-60.9170.3000111.4H860H860-I991 PolarHBondContact CE1-O 3.05Å; H860-I991 VanDerWaalsContact CE1-O 3.29Å
992T76Confident82.4Confident70 Ų7037.7 Ų37.743%0.42919%0.192SC..SBendtrans-99.5142.3-18065.50000111.7D990 A994 E995 H996D990-T992 PolarHBondContact O-N 3.44Å; D990-T992 PolarHBondContact OD1-N 3.22Å; D990-T992 PolarHBondContact OD1-OG1 3.2Å; D990-T992 VanDerWaalsContact OD1-OG1 3.08Å; T992-A994 PolarHBondContact O-N 2.67Å; T992-E995 VanDerWaalsContact OG1-CB 3.3Å; T992-E995 WeakPolarHBondContact OG1-CB 3.5Å; T992-E995 WeakPolarHBondContact OG1-CG 3.28Å; T992-H996 VanDerWaalsContact O-CB 3.25Å; T992-H996 WeakPolarHBondContact O-CB 3.35Å; T992-H996 PolarHBondContact O-N 3.4Å
993E75.5Confident82.4Confident38 Ų3835.5 Ų35.518%0.17819%0.188CC..Hα-helixtrans-64.4-40.3-177-169.6-179.7140.500112.2S148 N858 H860 H996 E997S148-E993 WeakPolarHBondContact CB-OE1 2.81Å; S148-E993 PolarHBondContact OG-OE1 3.41Å; N858-E993 PolarHBondContact ND2-OE2 2.77Å; H860-E993 PolarHBondContact CE1-N 2.95Å; E993-H996 WeakPolarHBondContact O-CB 3.49Å; E993-H996 PolarHBondContact O-N 3.06Å; E993-E997 PolarHBondContact O-N 2.86Å
994A71.7Confident82.3Confident16 Ų1639 Ų3913%0.13220%0.203CC..Hα-helixtrans-64.6-46.4179.300000112.6L155 T992 H996 E997 G998L155-A994 HydrophobicContact CD1-CB 4.32Å; T992-A994 PolarHBondContact O-N 2.67Å; A994-H996 VanDerWaalsContact C-N 3.33Å; A994-E997 PolarHBondContact O-N 2.96Å; A994-G998 PolarHBondContact O-N 3.44Å
995E78.5Confident82.3Confident28 Ų2842.1 Ų42.113%0.13123%0.226CC..Hα-helixtrans-70.7-30.3176.2-69.4-69.2163.800112.1R159 D990 T992 G998 K999R159-E995 IonicContact CZ-OE2 3.95Å; R159-E995 IonicContact NH1-OE1 2.64Å; R159-E995 IonicContact NH1-OE2 3.07Å; R159-E995 PolarHBondContact NH1-OE2 2.76Å; R159-E995 IonicContact NH2-OE2 2.69Å; D990-E995 HydrophobicContact CB-CB 3.87Å; T992-E995 VanDerWaalsContact OG1-CB 3.3Å; T992-E995 WeakPolarHBondContact OG1-CB 3.5Å; T992-E995 WeakPolarHBondContact OG1-CG 3.28Å; E995-G998 PolarHBondContact O-N 2.96Å; E995-K999 WeakPolarHBondContact O-CB 3.42Å; E995-K999 WeakPolarHBondContact O-CG 3.36Å; E995-K999 PolarHBondContact O-N 2.76Å
996H83.8Confident82.6Confident6 Ų644 Ų443%0.02823%0.234CC..Hα-helixtrans-58.6-48.7172.4173.679.8000111H860 G987 L989 D990 T992 E993 A994 K999 K1000H860-H996 AromaticContact CD2-CD2 3.78Å; H860-H996 AromaticContact CD2-CG 3.44Å; H860-H996 VanDerWaalsContact CD2-CG 3.44Å; H860-H996 AromaticContact CD2-ND1 3.66Å; H860-H996 AromaticContact NE2-CG 3.92Å; G987-H996 PolarHBondContact O-CE1 3.14Å; G987-H996 VanDerWaalsContact O-CE1 3.28Å; L989-H996 PolarHBondContact N-ND1 2.79Å; L989-H996 VanDerWaalsContact N-ND1 3.14Å; D990-H996 HydrophobicContact CB-CB 4.25Å; T992-H996 VanDerWaalsContact O-CB 3.25Å; T992-H996 WeakPolarHBondContact O-CB 3.35Å; T992-H996 PolarHBondContact O-N 3.4Å; E993-H996 WeakPolarHBondContact O-CB 3.49Å; E993-H996 PolarHBondContact O-N 3.06Å; A994-H996 VanDerWaalsContact C-N 3.33Å; H996-K999 PolarHBondContact O-N 3.02Å; H996-K1000 WeakPolarHBondContact NE2-CE 3.11Å; H996-K1000 PolarHBondContact NE2-NZ 3.47Å; H996-K1000 PolarHBondContact O-N 3.44Å
997E79.4Confident83.1Confident37 Ų3741 Ų4117%0.17322%0.218CC..Hα-helixtrans-68.2-38176.5-69.6-58.8128.900112.3R149 E993 A994 K999 K1000 A1001R149-E997 HydrophobicContact CG-CG 4Å; E993-E997 PolarHBondContact O-N 2.86Å; A994-E997 PolarHBondContact O-N 2.96Å; E997-K999 PolarHBondContact O-N 2.93Å; E997-K1000 WeakPolarHBondContact O-CB 3.47Å; E997-K1000 PolarHBondContact O-N 3.42Å; E997-K1000 IonicContact OE1-NZ 3.73Å; E997-K1000 PolarHBondContact OE1-NZ 2.84Å; E997-A1001 PolarHBondContact O-N 3.32Å
998G76.8Confident83.5Confident1 Ų141.5 Ų41.51%0.0122%0.218CC..Hα-helixtrans-59.5-45.117300000112.9A994 E995 K1000 A1001 E1002A994-G998 PolarHBondContact O-N 3.44Å; E995-G998 PolarHBondContact O-N 2.96Å; G998-K1000 PolarHBondContact O-N 2.85Å; G998-A1001 WeakPolarHBondContact O-CB 3.25Å; G998-A1001 PolarHBondContact O-N 2.92Å; G998-E1002 WeakPolarHBondContact O-CG 3.33Å; G998-E1002 PolarHBondContact O-N 3.21Å; G998-E1002 VanDerWaalsContact O-N 3.12Å
999K83.4Confident83.9Confident58 Ų5845.5 Ų45.525%0.25224%0.239SC..Hα-helixtrans-66.1-34.9175.8-77.1175.9178.5167.10112.8L989 D990 E995 H996 E997 A1001 E1002 L1003L989-K999 HydrophobicContact CB-CB 4.16Å; L989-K999 HydrophobicContact CB-CD 4.13Å; L989-K999 HydrophobicContact CD1-CB 4.12Å; L989-K999 WeakPolarHBondContact O-CD 3.22Å; L989-K999 PolarHBondContact O-NZ 3.28Å; D990-K999 HydrophobicContact CB-CD 4.22Å; D990-K999 IonicContact OD2-NZ 2.97Å; D990-K999 PolarHBondContact OD2-NZ 3.06Å; E995-K999 WeakPolarHBondContact O-CB 3.42Å; E995-K999 WeakPolarHBondContact O-CG 3.36Å; E995-K999 PolarHBondContact O-N 2.76Å; H996-K999 PolarHBondContact O-N 3.02Å; E997-K999 PolarHBondContact O-N 2.93Å; K999-A1001 VanDerWaalsContact C-N 3.35Å; K999-E1002 PolarHBondContact O-N 3.25Å; K999-L1003 WeakPolarHBondContact O-CB 3.38Å; K999-L1003 WeakPolarHBondContact O-CG 3.49Å; K999-L1003 PolarHBondContact O-N 3.2Å
1000K85.1Confident84.2Confident37 Ų3745.3 Ų45.316%0.16124%0.238CC..Hα-helixtrans-60.2-46.9171.1-78.8-175.4-178.2154.40110.6Y984 L989 H996 E997 G998 E1002 L1003 K1004Y984-K1000 HydrophobicContact CD2-CG 4.39Å; Y984-K1000 HydrophobicContact CE2-CB 3.9Å; Y984-K1000 HydrophobicContact CE2-CG 4.08Å; Y984-K1000 WeakPolarHBondContact CE2-O 3.41Å; Y984-K1000 VanDerWaalsContact O-CE 3.23Å; Y984-K1000 WeakPolarHBondContact O-CE 3.46Å; Y984-K1000 PolarHBondContact OH-O 2.66Å; L989-K1000 HydrophobicContact CD1-CG 3.7Å; H996-K1000 WeakPolarHBondContact NE2-CE 3.11Å; H996-K1000 PolarHBondContact NE2-NZ 3.47Å; H996-K1000 PolarHBondContact O-N 3.44Å; E997-K1000 WeakPolarHBondContact O-CB 3.47Å; E997-K1000 PolarHBondContact O-N 3.42Å; E997-K1000 IonicContact OE1-NZ 3.73Å; E997-K1000 PolarHBondContact OE1-NZ 2.84Å; G998-K1000 PolarHBondContact O-N 2.85Å; K1000-E1002 VanDerWaalsContact C-N 3.27Å; K1000-E1002 PolarHBondContact O-N 3.12Å; K1000-L1003 PolarHBondContact O-N 2.71Å; K1000-K1004 PolarHBondContact O-N 3.33Å
1001A79.4Confident84.6Confident35 Ų3543.8 Ų43.829%0.28923%0.23SC..Hα-helixtrans-57.7-42.1177.800000112E997 G998 K999 K1004E997-A1001 PolarHBondContact O-N 3.32Å; G998-A1001 WeakPolarHBondContact O-CB 3.25Å; G998-A1001 PolarHBondContact O-N 2.92Å; K999-A1001 VanDerWaalsContact C-N 3.35Å; A1001-K1004 WeakPolarHBondContact O-CB 3.21Å
1002E84.1Confident85.4Confident90 Ų9044.8 Ų44.842%0.42123%0.231SC..Hα-helixtrans-66.7-41177.3-68.5173.7-173.700113.6R159 G998 K999 K1000 K1004R159-E1002 IonicContact CZ-OE1 2.81Å; R159-E1002 IonicContact NE-OE1 2.82Å; R159-E1002 IonicContact NH2-OE1 3.3Å; R159-E1002 PolarHBondContact NH2-OE1 2.72Å; G998-E1002 WeakPolarHBondContact O-CG 3.33Å; G998-E1002 PolarHBondContact O-N 3.21Å; G998-E1002 VanDerWaalsContact O-N 3.12Å; K999-E1002 PolarHBondContact O-N 3.25Å; K1000-E1002 VanDerWaalsContact C-N 3.27Å; K1000-E1002 PolarHBondContact O-N 3.12Å; E1002-K1004 VanDerWaalsContact C-N 3.32Å; E1002-K1004 PolarHBondContact O-N 3.11Å
1003L89.1Confident86.2Confident63 Ų6345.8 Ų45.833%0.3323%0.231SC..Hα-helixtrans-79.8-12.8-177.7-70.8174.6000113.4Y984 L989 K999 K1000 S1005 F1006 I1007Y984-L1003 HydrophobicContact CD2-CB 3.76Å; Y984-L1003 HydrophobicContact CD2-CD1 4.44Å; Y984-L1003 HydrophobicContact CE2-CB 3.78Å; L989-L1003 HydrophobicContact CD1-CD1 3.94Å; L989-L1003 HydrophobicContact CD2-CD1 4.32Å; K999-L1003 WeakPolarHBondContact O-CB 3.38Å; K999-L1003 WeakPolarHBondContact O-CG 3.49Å; K999-L1003 PolarHBondContact O-N 3.2Å; K1000-L1003 PolarHBondContact O-N 2.71Å; L1003-S1005 VanDerWaalsContact C-N 3.33Å; L1003-S1005 PolarHBondContact O-N 3.47Å; L1003-F1006 HydrophobicContact CD2-CD1 4.14Å; L1003-F1006 WeakPolarHBondContact O-CB 3.45Å; L1003-F1006 PolarHBondContact O-N 3.4Å; L1003-F1006 VanDerWaalsContact O-N 3.1Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.28Å; L1003-I1007 PolarHBondContact O-N 2.88Å
1004K89.1Confident86.9Confident91 Ų9144.5 Ų44.540%0.39623%0.225SC..Hα-helixtrans-51.6-47.3-175179.9176.1178.4-1760113.5K1000 A1001 E1002 I1007 I1008 F1020K1000-K1004 PolarHBondContact O-N 3.33Å; A1001-K1004 WeakPolarHBondContact O-CB 3.21Å; E1002-K1004 VanDerWaalsContact C-N 3.32Å; E1002-K1004 PolarHBondContact O-N 3.11Å; K1004-I1007 PolarHBondContact O-N 2.84Å; K1004-I1008 HydrophobicContact CG-CD1 4.25Å; K1004-I1008 WeakPolarHBondContact O-CG1 3.4Å; K1004-I1008 PolarHBondContact O-N 2.96Å; K1004-I1008 VanDerWaalsContact O-N 3.08Å; K1004-F1020 HydrophobicContact CB-CE2 4.45Å; K1004-F1020 HydrophobicContact CD-CE1 4.21Å; K1004-F1020 HydrophobicContact CD-CZ 4.06Å; K1004-F1020 HydrophobicContact CG-CD2 4.23Å; K1004-F1020 HydrophobicContact CG-CE1 4.27Å; K1004-F1020 HydrophobicContact CG-CE2 3.79Å; K1004-F1020 HydrophobicContact CG-CZ 3.79Å
1005S89.7Confident87.8Confident75 Ų7545.5 Ų45.552%0.52423%0.231SC..Hα-helixtrans-65.3-45.3178.854.30000111.7L1003 I1007 I1008 D1009L1003-S1005 VanDerWaalsContact C-N 3.33Å; L1003-S1005 PolarHBondContact O-N 3.47Å; S1005-I1007 VanDerWaalsContact C-N 3.3Å; S1005-I1007 PolarHBondContact O-N 2.82Å; S1005-I1008 PolarHBondContact O-N 2.88Å; S1005-I1008 VanDerWaalsContact O-N 3.16Å; S1005-D1009 PolarHBondContact O-N 3.1Å
1006F92.8Very high88.3Confident74 Ų7444.2 Ų44.233%0.32523%0.225SC..Hα-helixtrans-57.4-41.6174.9172.2-106.7000112.1V917 L1003 D1009 L1010V917-F1006 HydrophobicContact CG1-CE1 4.18Å; V917-F1006 HydrophobicContact CG1-CZ 4.07Å; L1003-F1006 HydrophobicContact CD2-CD1 4.14Å; L1003-F1006 WeakPolarHBondContact O-CB 3.45Å; L1003-F1006 PolarHBondContact O-N 3.4Å; L1003-F1006 VanDerWaalsContact O-N 3.1Å; F1006-D1009 PolarHBondContact O-N 2.6Å; F1006-L1010 HydrophobicContact CE1-CD2 4.18Å; F1006-L1010 HydrophobicContact CZ-CD2 4.25Å; F1006-L1010 WeakPolarHBondContact O-CB 3.27Å; F1006-L1010 PolarHBondContact O-N 3.4Å
1007I94.3Very high88.4Confident3 Ų344.6 Ų44.62%0.01523%0.227CC..Hα-helixtrans-64.8-41.3176.4-68.9-53.2000112.1I981 Y984 L1003 K1004 S1005 S1011 F1020I981-I1007 HydrophobicContact CG1-CD1 4.36Å; I981-I1007 HydrophobicContact CG1-CG2 4.25Å; Y984-I1007 HydrophobicContact CD1-CG1 4.24Å; Y984-I1007 HydrophobicContact CD2-CD1 4.23Å; Y984-I1007 HydrophobicContact CD2-CG1 3.49Å; Y984-I1007 VanDerWaalsContact CD2-CG1 3.49Å; Y984-I1007 HydrophobicContact CE2-CG1 3.99Å; Y984-I1007 HydrophobicContact CG-CD1 4.13Å; Y984-I1007 HydrophobicContact CG-CG1 3.62Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.28Å; L1003-I1007 PolarHBondContact O-N 2.88Å; K1004-I1007 PolarHBondContact O-N 2.84Å; S1005-I1007 VanDerWaalsContact C-N 3.3Å; S1005-I1007 PolarHBondContact O-N 2.82Å; I1007-S1011 WeakPolarHBondContact O-CB 3.43Å; I1007-S1011 PolarHBondContact O-N 3.24Å; I1007-F1020 HydrophobicContact CG2-CD2 4.15Å; I1007-F1020 HydrophobicContact CG2-CE2 4.44Å
1008I92.2Very high88.7Confident20 Ų2042.9 Ų42.910%0.10322%0.219CC..Hα-helixtrans-63.4-45.1175.8-68.9165.5000110.6K1004 S1005 S1011 K1012 F1020 T1021K1004-I1008 HydrophobicContact CG-CD1 4.25Å; K1004-I1008 WeakPolarHBondContact O-CG1 3.4Å; K1004-I1008 PolarHBondContact O-N 2.96Å; K1004-I1008 VanDerWaalsContact O-N 3.08Å; S1005-I1008 PolarHBondContact O-N 2.88Å; S1005-I1008 VanDerWaalsContact O-N 3.16Å; I1008-S1011 WeakPolarHBondContact O-CB 3.24Å; I1008-S1011 PolarHBondContact O-N 3.02Å; I1008-K1012 HydrophobicContact CG2-CD 4.04Å; I1008-K1012 VanDerWaalsContact O-CG 3.32Å; I1008-K1012 WeakPolarHBondContact O-CG 3.49Å; I1008-K1012 PolarHBondContact O-N 2.94Å; I1008-F1020 HydrophobicContact CD1-CB 4Å; I1008-F1020 HydrophobicContact CD1-CG 4.34Å; I1008-F1020 HydrophobicContact CG1-CB 3.62Å; I1008-F1020 HydrophobicContact CG1-CD2 4.13Å; I1008-F1020 HydrophobicContact CG1-CG 4.15Å; I1008-T1021 HydrophobicContact CG2-CG2 4.28Å
1009D94.2Very high89.1Confident92 Ų9247.2 Ų47.249%0.49224%0.239SC..Hα-helixtrans-65.9-42.9179.7-73-27000111.8S1005 F1006 S1011 K1012 E1013S1005-D1009 PolarHBondContact O-N 3.1Å; F1006-D1009 PolarHBondContact O-N 2.6Å; D1009-S1011 VanDerWaalsContact C-N 3.35Å; D1009-S1011 PolarHBondContact O-N 3.45Å; D1009-K1012 PolarHBondContact O-N 2.86Å; D1009-E1013 WeakPolarHBondContact O-CB 3.32Å; D1009-E1013 PolarHBondContact O-N 2.79Å
1010L93.5Very high89.3Confident6 Ų646.3 Ų46.33%0.03124%0.235CC..Hα-helixtrans-62.4-42.5176.7-171.668.3000111.9F937 A977 L980 I981 F1006 E1013 F1014F937-L1010 HydrophobicContact CE2-CD1 3.68Å; F937-L1010 HydrophobicContact CZ-CD1 4.13Å; A977-L1010 HydrophobicContact CB-CD1 3.88Å; A977-L1010 HydrophobicContact CB-CD2 4.08Å; A977-L1010 HydrophobicContact CB-CG 3.77Å; L980-L1010 HydrophobicContact CB-CD2 3.86Å; L980-L1010 HydrophobicContact CD1-CD2 4.06Å; I981-L1010 HydrophobicContact CG1-CD2 4.35Å; F1006-L1010 HydrophobicContact CE1-CD2 4.18Å; F1006-L1010 HydrophobicContact CZ-CD2 4.25Å; F1006-L1010 WeakPolarHBondContact O-CB 3.27Å; F1006-L1010 PolarHBondContact O-N 3.4Å; L1010-E1013 PolarHBondContact O-N 3.33Å; L1010-F1014 HydrophobicContact CD1-CD2 3.6Å; L1010-F1014 HydrophobicContact CD1-CE2 3.56Å; L1010-F1014 HydrophobicContact CG-CD2 4.28Å; L1010-F1014 PolarHBondContact O-N 3.32Å; L1010-F1014 VanDerWaalsContact O-N 3.11Å
1011S92.5Very high89.5Confident0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-59.7-45.6175.1166.60000112.1V534 I1007 I1008 D1009 S1015 I1016 T1021V534-S1011 WeakPolarHBondContact CG1-OG 3.25Å; I1007-S1011 WeakPolarHBondContact O-CB 3.43Å; I1007-S1011 PolarHBondContact O-N 3.24Å; I1008-S1011 WeakPolarHBondContact O-CB 3.24Å; I1008-S1011 PolarHBondContact O-N 3.02Å; D1009-S1011 VanDerWaalsContact C-N 3.35Å; D1009-S1011 PolarHBondContact O-N 3.45Å; S1011-S1015 CarbonylContact O-C 3.57Å; S1011-S1015 WeakPolarHBondContact O-CA 3.45Å; S1011-S1015 PolarHBondContact O-N 2.82Å; S1011-I1016 WeakPolarHBondContact CA-O 3.24Å; S1011-I1016 VanDerWaalsContact CB-O 3.25Å; S1011-I1016 WeakPolarHBondContact CB-O 3.32Å; S1011-I1016 PolarHBondContact O-N 2.72Å; S1011-I1016 PolarHBondContact OG-O 2.82Å; S1011-T1021 WeakPolarHBondContact OG-CB 3.31Å; S1011-T1021 VanDerWaalsContact OG-CG2 3.25Å; S1011-T1021 WeakPolarHBondContact OG-CG2 3.47Å; S1011-T1021 PolarHBondContact OG-OG1 3.22Å
1012K92.7Very high89.8Confident101 Ų10143 Ų4344%0.43922%0.215SC..Hα-helixtrans-67.3-44.3176.2-69.8168.661.7-167.20112.3I1008 D1009 F1014 S1015I1008-K1012 HydrophobicContact CG2-CD 4.04Å; I1008-K1012 VanDerWaalsContact O-CG 3.32Å; I1008-K1012 WeakPolarHBondContact O-CG 3.49Å; I1008-K1012 PolarHBondContact O-N 2.94Å; D1009-K1012 PolarHBondContact O-N 2.86Å; K1012-F1014 PolarHBondContact O-N 3.21Å; K1012-S1015 PolarHBondContact O-N 2.8Å
1013E92.1Very high89.9Confident90 Ų9039 Ų3942%0.42120%0.196SC..Hα-helixtrans-60.9-45.7-177.2178.8173.4-17700112.1K701 D1009 L1010K701-E1013 VanDerWaalsContact NZ-CD 3.33Å; K701-E1013 IonicContact NZ-OE1 3.7Å; K701-E1013 PolarHBondContact NZ-OE1 3.16Å; D1009-E1013 WeakPolarHBondContact O-CB 3.32Å; D1009-E1013 PolarHBondContact O-N 2.79Å; L1010-E1013 PolarHBondContact O-N 3.33Å
1014F91.3Very high89.7Confident11 Ų1136.1 Ų36.15%0.04818%0.181CC..Hα-helixtrans-98.84-175.9-66.1-69.2000113.9F937 H973 K974 A977 L1010 K1012 I1016F937-F1014 HydrophobicContact CE1-CZ 4.38Å; F937-F1014 AromaticContact CZ-CE2 3.87Å; F937-F1014 HydrophobicContact CZ-CE2 3.87Å; F937-F1014 HydrophobicContact CZ-CZ 4.16Å; H973-F1014 HydrophobicContact CB-CD1 4.08Å; H973-F1014 HydrophobicContact CB-CE1 3.48Å; H973-F1014 VanDerWaalsContact CB-CE1 3.48Å; H973-F1014 HydrophobicContact CB-CZ 3.98Å; K974-F1014 HydrophobicContact CG-CB 4.18Å; K974-F1014 HydrophobicContact CG-CD1 4.21Å; A977-F1014 HydrophobicContact CB-CB 4Å; A977-F1014 HydrophobicContact CB-CD2 3.53Å; A977-F1014 HydrophobicContact CB-CE2 4.29Å; A977-F1014 HydrophobicContact CB-CG 3.89Å; L1010-F1014 HydrophobicContact CD1-CD2 3.6Å; L1010-F1014 HydrophobicContact CD1-CE2 3.56Å; L1010-F1014 HydrophobicContact CG-CD2 4.28Å; L1010-F1014 PolarHBondContact O-N 3.32Å; L1010-F1014 VanDerWaalsContact O-N 3.11Å; K1012-F1014 PolarHBondContact O-N 3.21Å; F1014-I1016 HydrophobicContact CB-CD1 3.74Å; F1014-I1016 HydrophobicContact CB-CG1 4.23Å
1015S90.4Very high89.4Confident37 Ų3732 Ų3226%0.25916%0.164SC..THydrogen-bonded Turntrans55.745.7-177.6-59.70000113.2C519 S1011 K1012 F1023C519-S1015 VanDerWaalsContact CA-O 3.31Å; C519-S1015 WeakPolarHBondContact CA-O 3.4Å; S1011-S1015 CarbonylContact O-C 3.57Å; S1011-S1015 WeakPolarHBondContact O-CA 3.45Å; S1011-S1015 PolarHBondContact O-N 2.82Å; K1012-S1015 PolarHBondContact O-N 2.8Å; S1015-F1023 VanDerWaalsContact O-CZ 3.29Å; S1015-F1023 WeakPolarHBondContact O-CZ 3.13Å
1016I88.8Confident88.9Confident1 Ų131.4 Ų31.41%0.00515%0.154CC..  trans-113.9130.7-178.8-65.1162.7000108.5A517 C519 K974 A977 R978 I981 S1011 F1014A517-I1016 HydrophobicContact CB-CG2 4.47Å; C519-I1016 HydrophobicContact CB-CG1 4.37Å; K974-I1016 HydrophobicContact CB-CD1 4.22Å; K974-I1016 WeakPolarHBondContact O-CD1 3.03Å; A977-I1016 HydrophobicContact CB-CD1 3.65Å; R978-I1016 HydrophobicContact CB-CD1 4.24Å; R978-I1016 HydrophobicContact CB-CG2 4.34Å; I981-I1016 HydrophobicContact CD1-CB 4.06Å; I981-I1016 HydrophobicContact CD1-CG2 3.73Å; S1011-I1016 WeakPolarHBondContact CA-O 3.24Å; S1011-I1016 VanDerWaalsContact CB-O 3.25Å; S1011-I1016 WeakPolarHBondContact CB-O 3.32Å; S1011-I1016 PolarHBondContact O-N 2.72Å; S1011-I1016 PolarHBondContact OG-O 2.82Å; F1014-I1016 HydrophobicContact CB-CD1 3.74Å; F1014-I1016 HydrophobicContact CB-CG1 4.23Å
1017L85.3Confident88.1Confident15 Ų1529 Ų298%0.07914%0.144CC..  trans-66.7137.6175.5-69176.3000111.9M557 F1023M557-L1017 HydrophobicContact CE-CD1 3.4Å; M557-L1017 VanDerWaalsContact CE-CD1 3.4Å; M557-L1017 HydrophobicContact SD-CD1 3.98Å; L1017-F1023 HydrophobicContact CD1-CD2 3.84Å; L1017-F1023 HydrophobicContact CD1-CE2 4.25Å; L1017-F1023 HydrophobicContact CD2-CB 4.48Å; L1017-F1023 HydrophobicContact CD2-CD2 3.49Å; L1017-F1023 VanDerWaalsContact CD2-CD2 3.49Å; L1017-F1023 HydrophobicContact CD2-CE2 4.05Å; L1017-F1023 HydrophobicContact CD2-CG 4.22Å; L1017-F1023 HydrophobicContact CG-CD2 3.55Å; L1017-F1023 HydrophobicContact CG-CE2 3.73Å
1018S86.9Confident87Confident1 Ų135.6 Ų35.61%0.00718%0.175CC..  trans-123.2169.8163.869.40000109.7E985 F1020 T1021E985-S1018 WeakPolarHBondContact OE1-CA 3.43Å; S1018-F1020 PolarHBondContact O-N 2.72Å; S1018-F1020 PolarHBondContact OG-N 3.39Å; S1018-T1021 PolarHBondContact N-OG1 3.28Å; S1018-T1021 PolarHBondContact O-N 3.15Å; S1018-T1021 VanDerWaalsContact O-N 3.11Å; S1018-T1021 VanDerWaalsContact O-O 3.11Å; S1018-T1021 PolarHBondContact O-OG1 3.02Å; S1018-T1021 PolarHBondContact OG-OG1 3.42Å
1019Q84.6Confident85.8Confident92 Ų9239.5 Ų39.543%0.4319%0.188SC..THydrogen-bonded Turntrans-54.6-18.6172.663.7175.114.200115.1E985E985-Q1019 HydrophobicContact CG-CG 4.28Å; E985-Q1019 PolarHBondContact OE1-N 3.07Å
1020F88.1Confident84.1Confident39 Ų3941.4 Ų41.417%0.17120%0.198CC..THydrogen-bonded Turntrans-100.1-8.7-177.9-55.7-57.7000114.9K537 Y984 K1004 I1007 I1008 S1018K537-F1020 WeakPolarHBondContact CB-O 3.29Å; K537-F1020 PolarHBondContact N-O 3.26Å; Y984-F1020 HydrophobicContact CD1-CE2 4.42Å; Y984-F1020 AromaticContact CE1-CE2 3.5Å; Y984-F1020 HydrophobicContact CE1-CE2 3.5Å; Y984-F1020 VanDerWaalsContact CE1-CE2 3.5Å; Y984-F1020 AromaticContact CE1-CZ 3.87Å; Y984-F1020 HydrophobicContact CE1-CZ 3.87Å; Y984-F1020 AromaticContact CZ-CE2 3.7Å; Y984-F1020 AromaticContact CZ-CZ 3.98Å; Y984-F1020 WeakPolarHBondContact OH-CE2 3.45Å; Y984-F1020 WeakPolarHBondContact OH-CZ 3.42Å; K1004-F1020 HydrophobicContact CB-CE2 4.45Å; K1004-F1020 HydrophobicContact CD-CE1 4.21Å; K1004-F1020 HydrophobicContact CD-CZ 4.06Å; K1004-F1020 HydrophobicContact CG-CD2 4.23Å; K1004-F1020 HydrophobicContact CG-CE1 4.27Å; K1004-F1020 HydrophobicContact CG-CE2 3.79Å; K1004-F1020 HydrophobicContact CG-CZ 3.79Å; I1007-F1020 HydrophobicContact CG2-CD2 4.15Å; I1007-F1020 HydrophobicContact CG2-CE2 4.44Å; I1008-F1020 HydrophobicContact CD1-CB 4Å; I1008-F1020 HydrophobicContact CD1-CG 4.34Å; I1008-F1020 HydrophobicContact CG1-CB 3.62Å; I1008-F1020 HydrophobicContact CG1-CD2 4.13Å; I1008-F1020 HydrophobicContact CG1-CG 4.15Å; S1018-F1020 PolarHBondContact O-N 2.72Å; S1018-F1020 PolarHBondContact OG-N 3.39Å
1021T89.3Confident81.9Confident2 Ų247.6 Ų47.61%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-127.7154.7-17055.90000111.7V534 K535 I1008 S1011 S1018V534-T1021 HydrophobicContact CG1-CG2 4.16Å; K535-T1021 CarbonylContact O-C 3.5Å; K535-T1021 VanDerWaalsContact O-CA 3.26Å; K535-T1021 WeakPolarHBondContact O-CA 3.39Å; K535-T1021 WeakPolarHBondContact O-CB 3.36Å; I1008-T1021 HydrophobicContact CG2-CG2 4.28Å; S1011-T1021 WeakPolarHBondContact OG-CB 3.31Å; S1011-T1021 VanDerWaalsContact OG-CG2 3.25Å; S1011-T1021 WeakPolarHBondContact OG-CG2 3.47Å; S1011-T1021 PolarHBondContact OG-OG1 3.22Å; S1018-T1021 PolarHBondContact N-OG1 3.28Å; S1018-T1021 PolarHBondContact O-N 3.15Å; S1018-T1021 VanDerWaalsContact O-N 3.11Å; S1018-T1021 VanDerWaalsContact O-O 3.11Å; S1018-T1021 PolarHBondContact O-OG1 3.02Å; S1018-T1021 PolarHBondContact OG-OG1 3.42Å
1022S86Confident79.8Confident0 Ų050.9 Ų50.90%028%0.276CS..EExtended strand (participates in β ladder)trans-135.3149.4179.4-62.40000109.6K535 K537 M557 D558K535-S1022 PolarHBondContact N-O 3.14Å; K535-S1022 PolarHBondContact O-N 3.38Å; K537-S1022 WeakPolarHBondContact CG-OG 3.33Å; M557-S1022 WeakPolarHBondContact O-CA 3.48Å; M557-S1022 VanDerWaalsContact O-CB 3.23Å; M557-S1022 WeakPolarHBondContact O-CB 3.31Å; D558-S1022 WeakPolarHBondContact OD1-CB 3.25Å; D558-S1022 PolarHBondContact OD1-OG 3.4Å
1023F85Confident77.5Confident5 Ų554.4 Ų54.42%0.02229%0.291CS..EExtended strand (participates in β ladder)trans-79.4132.1169.5-92.1-72000108.9E533 V534 M557 S1015 L1017E533-F1023 CarbonylContact O-C 3.6Å; E533-F1023 WeakPolarHBondContact O-CA 3.46Å; V534-F1023 HydrophobicContact CG2-CD1 3.58Å; V534-F1023 HydrophobicContact CG2-CD2 4.08Å; V534-F1023 HydrophobicContact CG2-CE1 3.27Å; V534-F1023 HydrophobicContact CG2-CE2 3.78Å; V534-F1023 HydrophobicContact CG2-CG 3.97Å; V534-F1023 HydrophobicContact CG2-CZ 3.37Å; M557-F1023 HydrophobicContact CB-CB 3.95Å; M557-F1023 PolarHBondContact N-O 3.32Å; M557-F1023 PolarHBondContact O-N 3.1Å; M557-F1023 HydrophobicContact SD-CB 4.33Å; M557-F1023 HydrophobicContact SD-CD2 4.06Å; S1015-F1023 VanDerWaalsContact O-CZ 3.29Å; S1015-F1023 WeakPolarHBondContact O-CZ 3.13Å; L1017-F1023 HydrophobicContact CD1-CD2 3.84Å; L1017-F1023 HydrophobicContact CD1-CE2 4.25Å; L1017-F1023 HydrophobicContact CD2-CB 4.48Å; L1017-F1023 HydrophobicContact CD2-CD2 3.49Å; L1017-F1023 VanDerWaalsContact CD2-CD2 3.49Å; L1017-F1023 HydrophobicContact CD2-CE2 4.05Å; L1017-F1023 HydrophobicContact CD2-CG 4.22Å; L1017-F1023 HydrophobicContact CG-CD2 3.55Å; L1017-F1023 HydrophobicContact CG-CE2 3.73Å
1024V85.3Confident75.2Confident3 Ų355.4 Ų55.42%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-130.7135.6171.362.60000109.6E533 K535 A540 Y555 L556 I1026E533-V1024 PolarHBondContact N-O 3.24Å; E533-V1024 PolarHBondContact O-N 3.18Å; K535-V1024 HydrophobicContact CB-CG1 4.24Å; K535-V1024 HydrophobicContact CD-CG1 3.73Å; K535-V1024 HydrophobicContact CG-CG1 3.94Å; A540-V1024 HydrophobicContact CB-CB 4.14Å; A540-V1024 HydrophobicContact CB-CG1 4.18Å; Y555-V1024 CarbonylContact O-C 3.5Å; Y555-V1024 VanDerWaalsContact O-CA 3.29Å; Y555-V1024 WeakPolarHBondContact O-CA 3.43Å; L556-V1024 HydrophobicContact CD1-CB 4.42Å; V1024-I1026 HydrophobicContact CG2-CG1 4.3Å
1025A81.7Confident73.3Confident6 Ų659.1 Ų59.15%0.0533%0.326CS..EExtended strand (participates in β ladder)trans-131.5138172.500000109.3V530 V531 A554 Y555V530-A1025 HydrophobicContact CG1-CB 3.52Å; V531-A1025 WeakPolarHBondContact O-CB 3.49Å; A554-A1025 CarbonylContact C-O 3.59Å; A554-A1025 WeakPolarHBondContact CA-O 3.37Å; Y555-A1025 HydrophobicContact CD2-CB 3.94Å; Y555-A1025 WeakPolarHBondContact CD2-O 3.36Å; Y555-A1025 PolarHBondContact N-O 3.02Å; Y555-A1025 PolarHBondContact O-N 3.39Å
1026I79.7Confident71.1Confident61 Ų6164.6 Ų64.631%0.31335%0.353SS..EExtended strand (participates in β ladder)trans-124.4126.3-176.1-59173.9000108.6E543 A547 H552 V1024 E1028E543-I1026 HydrophobicContact CB-CD1 4.17Å; A547-I1026 HydrophobicContact CB-CD1 4.24Å; A547-I1026 HydrophobicContact CB-CG1 4.24Å; A547-I1026 HydrophobicContact CB-CG2 3.86Å; H552-I1026 HydrophobicContact CB-CG2 4.48Å; V1024-I1026 HydrophobicContact CG2-CG1 4.3Å; I1026-E1028 HydrophobicContact CG2-CG 4.45Å
1027E75.8Confident69.5Low23 Ų2366.3 Ų66.311%0.10737%0.371CS..EExtended strand (participates in β ladder)trans-98.9100.9172.3-172.5-139.8161.200108.8K528 V530 H552 G553 Y555 R1029K528-E1027 HydrophobicContact CD-CG 4.07Å; K528-E1027 VanDerWaalsContact CD-OE1 3.31Å; K528-E1027 WeakPolarHBondContact CD-OE1 3.41Å; K528-E1027 IonicContact NZ-OE1 3.66Å; K528-E1027 PolarHBondContact NZ-OE1 3.5Å; V530-E1027 HydrophobicContact CG2-CB 4.11Å; V530-E1027 HydrophobicContact CG2-CG 4.21Å; H552-E1027 WeakPolarHBondContact CB-O 3.48Å; G553-E1027 PolarHBondContact N-O 2.78Å; G553-E1027 PolarHBondContact O-N 3.36Å; Y555-E1027 HydrophobicContact CE2-CB 4.15Å; E1027-R1029 PolarHBondContact O-N 3.42Å; E1027-R1029 IonicContact OE1-NE 3.84Å; E1027-R1029 IonicContact OE2-CZ 3.17Å; E1027-R1029 IonicContact OE2-NE 3.26Å; E1027-R1029 PolarHBondContact OE2-NE 3.26Å; E1027-R1029 IonicContact OE2-NH2 2.87Å; E1027-R1029 PolarHBondContact OE2-NH2 3Å; E1027-R1029 VanDerWaalsContact OE2-NH2 3.1Å
1028E70.8Confident68.2Low143 Ų14372.4 Ų72.467%0.66841%0.408SS*.  trans-68.1127.8173.6-64.9-171.7165.900110.4K528 I1026K528-E1028 PolarHBondContact NZ-O 3.03Å; I1026-E1028 HydrophobicContact CG2-CG 4.45Å
1029R68.7Low67.3Low102 Ų10274.5 Ų74.539%0.38542%0.419SS..  trans-109.3102.9179.2-67.7-176.8-178.9-177.8-2.6109.2H552 E1027H552-R1029 PolarHBondContact ND1-N 3.18Å; E1027-R1029 PolarHBondContact O-N 3.42Å; E1027-R1029 IonicContact OE1-NE 3.84Å; E1027-R1029 IonicContact OE2-CZ 3.17Å; E1027-R1029 IonicContact OE2-NE 3.26Å; E1027-R1029 PolarHBondContact OE2-NE 3.26Å; E1027-R1029 IonicContact OE2-NH2 2.87Å; E1027-R1029 PolarHBondContact OE2-NH2 3Å; E1027-R1029 VanDerWaalsContact OE2-NH2 3.1Å
1030D58Low67Low131 Ų13174.4 Ų74.470%0.70142%0.422SS*.  trans-81.1124.8169.4-85.9-17.3000110.3G1032D1030-G1032 PolarHBondContact O-N 3.02Å
1031S47.1Very low66.6Low137 Ų13773.9 Ų73.996%0.95842%0.42SS*.THydrogen-bonded Turntrans-76.536.1-172.762.30000115
1032G47.7Very low66.3Low69 Ų6978.2 Ų78.271%0.71145%0.448SS*.THydrogen-bonded Turntrans-169.59.9-172.500000120.7D1030D1030-G1032 PolarHBondContact O-N 3.02Å
1033K45.2Very low66.2Low174 Ų17484 Ų8476%0.75747%0.474SS*.  trans-118.5126.8172.1-73.1-178.6-179.1171.10110.8D1035K1033-D1035 PolarHBondContact O-N 3.45Å
1034P44.4Very low66.2Low111 Ų11185.5 Ų85.572%0.72148%0.481SS*.  trans-65126.7166.525.6-28.5000108.9D1036P1034-D1036 PolarHBondContact O-N 2.95Å
1035D51.3Low66.2Low89 Ų8986.2 Ų86.248%0.47649%0.485SS..  trans-80.2100.8175.7-112.4-27.4000108.8K528 K1033K528-D1035 WeakPolarHBondContact CE-OD2 3.35Å; K528-D1035 WeakPolarHBondContact CG-OD2 3.37Å; K1033-D1035 PolarHBondContact O-N 3.45Å
1036D43.4Very low66.4Low152 Ų15289.2 Ų89.281%0.81351%0.51SS*.  trans-10017.2175.2-89.1-18.9000112.3P1034 V1038P1034-D1036 PolarHBondContact O-N 2.95Å; D1036-V1038 PolarHBondContact O-N 2.88Å; D1036-V1038 VanDerWaalsContact O-N 3.1Å
1037G55.2Low66.7Low38 Ų3892.1 Ų92.139%0.39252%0.522SS..  trans-77.792.6-177.600000113.2G527 I1039G527-G1037 WeakPolarHBondContact CA-O 3.41Å; G1037-I1039 PolarHBondContact O-N 3.25Å
1038V58.3Low67.3Low143 Ų14393.2 Ų93.287%0.86753%0.527SS*.  trans-67.4114.6163.8-179.20000108.5D1036 D1040D1036-V1038 PolarHBondContact O-N 2.88Å; D1036-V1038 VanDerWaalsContact O-N 3.1Å; V1038-D1040 PolarHBondContact O-N 2.87Å
1039I67.4Low68Low45 Ų4591.3 Ų91.323%0.23152%0.522CS..  trans-74.9120174.9-63152.6000108.8F524 G527 G1037 I1041 L1044F524-I1039 HydrophobicContact CB-CD1 3.64Å; G527-I1039 VanDerWaalsContact N-CD1 3.28Å; G1037-I1039 PolarHBondContact O-N 3.25Å; I1039-I1041 VanDerWaalsContact C-N 3.35Å; I1039-I1041 HydrophobicContact CG2-CG1 4.18Å; I1039-I1041 PolarHBondContact O-N 3.29Å; I1039-L1044 HydrophobicContact CG2-CD1 3.52Å
1040D78.8Confident69Low90 Ų9086.9 Ų86.948%0.48151%0.506SS..  trans-78.584.4172.5-170.5-13.5000109.8V1038 P1042 K1043 L1044V1038-D1040 PolarHBondContact O-N 2.87Å; D1040-P1042 VanDerWaalsContact OD1-CD 3.26Å; D1040-P1042 WeakPolarHBondContact OD1-CD 3.39Å; D1040-K1043 HydrophobicContact CB-CB 3.93Å; D1040-K1043 VanDerWaalsContact CG-CB 3.46Å; D1040-K1043 WeakPolarHBondContact O-CB 3.43Å; D1040-K1043 PolarHBondContact O-N 2.81Å; D1040-K1043 PolarHBondContact OD1-N 2.9Å; D1040-L1044 PolarHBondContact O-N 3.21Å
1041I79.3Confident70.5Confident28 Ų2882.5 Ų82.514%0.14448%0.482CS..Hα-helixtrans-56.2-46.9-179.6-58.7177.4000111.8K495 L579 I1039 K1043 L1044 I1045K495-I1041 HydrophobicContact CD-CD1 3.97Å; K495-I1041 HydrophobicContact CG-CD1 4.4Å; L579-I1041 HydrophobicContact CD1-CG2 3.96Å; L579-I1041 HydrophobicContact CD2-CB 4.47Å; L579-I1041 HydrophobicContact CD2-CG1 4.2Å; L579-I1041 HydrophobicContact CD2-CG2 3.94Å; I1039-I1041 VanDerWaalsContact C-N 3.35Å; I1039-I1041 HydrophobicContact CG2-CG1 4.18Å; I1039-I1041 PolarHBondContact O-N 3.29Å; I1041-K1043 VanDerWaalsContact C-N 3.26Å; I1041-K1043 PolarHBondContact O-N 2.93Å; I1041-L1044 PolarHBondContact O-N 2.99Å; I1041-I1045 HydrophobicContact CG2-CD1 3.7Å; I1041-I1045 HydrophobicContact CG2-CG1 4.41Å; I1041-I1045 WeakPolarHBondContact O-CG1 3.48Å; I1041-I1045 PolarHBondContact O-N 3.48Å; I1041-I1045 VanDerWaalsContact O-N 3.1Å
1042P82.3Confident72.6Confident92 Ų9278.6 Ų78.660%0.59745%0.448SS*.Hα-helixtrans-54.1-40.1174.8-28.534.7000113.9D1040 I1045 A1046D1040-P1042 VanDerWaalsContact OD1-CD 3.26Å; D1040-P1042 WeakPolarHBondContact OD1-CD 3.39Å; P1042-I1045 PolarHBondContact O-N 3.26Å; P1042-A1046 WeakPolarHBondContact O-CB 3.12Å; P1042-A1046 PolarHBondContact O-N 3.02Å
1043K85.6Confident74.6Confident123 Ų12375.3 Ų75.354%0.53541%0.414SS..Hα-helixtrans-64.7-45.4177.5-174.5-176.1173.4-169.30112.3D1040 I1041 I1045 A1046 E1047D1040-K1043 HydrophobicContact CB-CB 3.93Å; D1040-K1043 VanDerWaalsContact CG-CB 3.46Å; D1040-K1043 WeakPolarHBondContact O-CB 3.43Å; D1040-K1043 PolarHBondContact O-N 2.81Å; D1040-K1043 PolarHBondContact OD1-N 2.9Å; I1041-K1043 VanDerWaalsContact C-N 3.26Å; I1041-K1043 PolarHBondContact O-N 2.93Å; K1043-I1045 VanDerWaalsContact C-N 3.27Å; K1043-I1045 PolarHBondContact O-N 3.38Å; K1043-A1046 PolarHBondContact O-N 3.04Å; K1043-A1046 VanDerWaalsContact O-N 3.14Å; K1043-E1047 WeakPolarHBondContact CE-OE1 3.42Å; K1043-E1047 WeakPolarHBondContact O-CG 3.41Å; K1043-E1047 PolarHBondContact O-N 2.9Å
1044L85.3Confident76.7Confident35 Ų3571.7 Ų71.718%0.18341%0.409CS..Hα-helixtrans-60.4-36.9177.1-68.8173.9000112.4F524 L579 I1039 D1040 I1041F524-L1044 HydrophobicContact CD1-CD1 4.01Å; F524-L1044 HydrophobicContact CD2-CD1 4.32Å; F524-L1044 HydrophobicContact CE1-CD1 3.83Å; F524-L1044 HydrophobicContact CE1-CD2 4.22Å; F524-L1044 HydrophobicContact CE2-CD1 4.19Å; F524-L1044 HydrophobicContact CG-CD1 4.25Å; F524-L1044 HydrophobicContact CZ-CD1 3.94Å; F524-L1044 HydrophobicContact CZ-CD2 4.25Å; L579-L1044 HydrophobicContact CD2-CD1 3.98Å; I1039-L1044 HydrophobicContact CG2-CD1 3.52Å; D1040-L1044 PolarHBondContact O-N 3.21Å; I1041-L1044 PolarHBondContact O-N 2.99Å
1045I85.1Confident78.8Confident18 Ų1873.9 Ų73.99%0.09240%0.403CS..Hα-helixtrans-71.4-37.7176.5-63.3160.6000110.9H478 F493 I1041 P1042 K1043 E1047 E1048H478-I1045 HydrophobicContact CB-CD1 4.09Å; H478-I1045 HydrophobicContact CB-CG1 4.37Å; H478-I1045 HydrophobicContact CB-CG2 4.19Å; H478-I1045 WeakPolarHBondContact CD2-CD1 3.35Å; F493-I1045 HydrophobicContact CB-CG1 4.47Å; F493-I1045 HydrophobicContact CD1-CG1 4.22Å; F493-I1045 HydrophobicContact CD2-CG1 4.21Å; F493-I1045 HydrophobicContact CE1-CG1 4.46Å; F493-I1045 HydrophobicContact CE2-CG1 4.48Å; F493-I1045 HydrophobicContact CG-CG1 4.06Å; I1041-I1045 HydrophobicContact CG2-CD1 3.7Å; I1041-I1045 HydrophobicContact CG2-CG1 4.41Å; I1041-I1045 WeakPolarHBondContact O-CG1 3.48Å; I1041-I1045 PolarHBondContact O-N 3.48Å; I1041-I1045 VanDerWaalsContact O-N 3.1Å; P1042-I1045 PolarHBondContact O-N 3.26Å; K1043-I1045 VanDerWaalsContact C-N 3.27Å; K1043-I1045 PolarHBondContact O-N 3.38Å; I1045-E1047 VanDerWaalsContact C-N 3.33Å; I1045-E1048 PolarHBondContact O-N 3.47Å
1046A84.8Confident80.7Confident69 Ų6971.5 Ų71.557%0.5739%0.39SS*.Hα-helixtrans-72.2-24.3-179.800000113.5P1042 K1043 E1048P1042-A1046 WeakPolarHBondContact O-CB 3.12Å; P1042-A1046 PolarHBondContact O-N 3.02Å; K1043-A1046 PolarHBondContact O-N 3.04Å; K1043-A1046 VanDerWaalsContact O-N 3.14Å; A1046-E1048 PolarHBondContact O-N 2.59Å
1047E87.3Confident82.9Confident122 Ų12270 Ų7057%0.5739%0.387SS*.Hα-helixtrans-64.2-27.3173.2-76.2171.9-174.300112.3K1043 I1045 D1049K1043-E1047 WeakPolarHBondContact CE-OE1 3.42Å; K1043-E1047 WeakPolarHBondContact O-CG 3.41Å; K1043-E1047 PolarHBondContact O-N 2.9Å; I1045-E1047 VanDerWaalsContact C-N 3.33Å; E1047-D1049 VanDerWaalsContact C-N 3.35Å; E1047-D1049 PolarHBondContact O-N 2.82Å
1048E87.5Confident84.6Confident47 Ų4772.1 Ų72.122%0.2238%0.383CS..SBendtrans-92.658.8175.3-60.4-66.9177.300111.6K480 I491 F493 K581 I1045 A1046K480-E1048 WeakPolarHBondContact CD-O 3.38Å; K480-E1048 HydrophobicContact CG-CB 4.12Å; K480-E1048 WeakPolarHBondContact CG-O 3.11Å; I491-E1048 HydrophobicContact CD1-CB 4.34Å; I491-E1048 HydrophobicContact CD1-CG 4.05Å; I491-E1048 VanDerWaalsContact CD1-OE2 3.24Å; I491-E1048 WeakPolarHBondContact CD1-OE2 3.42Å; I491-E1048 HydrophobicContact CG2-CG 4.47Å; F493-E1048 HydrophobicContact CE2-CG 4.27Å; F493-E1048 HydrophobicContact CZ-CB 4.49Å; F493-E1048 HydrophobicContact CZ-CG 3.85Å; K581-E1048 WeakPolarHBondContact CE-OE1 3.23Å; K581-E1048 IonicContact NZ-OE1 3.9Å; K581-E1048 PolarHBondContact NZ-OE1 2.87Å; I1045-E1048 PolarHBondContact O-N 3.47Å; A1046-E1048 PolarHBondContact O-N 2.59Å
1049D86.2Confident86Confident103 Ų10367.9 Ų67.955%0.55136%0.358SS*.  trans-72135.5178.2-167.714.8000112.1E1047 D1051E1047-D1049 VanDerWaalsContact C-N 3.35Å; E1047-D1049 PolarHBondContact O-N 2.82Å; D1049-D1051 PolarHBondContact OD1-N 2.91Å
1050V89.4Confident86.9Confident8 Ų869.2 Ų69.25%0.04837%0.365CS..  trans-118-7.1178.8-61.90000111.9K480 K482 D636 S638 F1052K480-V1050 HydrophobicContact CB-CG1 3.99Å; K480-V1050 HydrophobicContact CD-CG1 4.42Å; K480-V1050 HydrophobicContact CD-CG2 4.22Å; K482-V1050 HydrophobicContact CG-CG1 4.13Å; D636-V1050 HydrophobicContact CB-CG2 3.49Å; D636-V1050 VanDerWaalsContact CB-CG2 3.49Å; S638-V1050 WeakPolarHBondContact CB-O 3.24Å; V1050-F1052 PolarHBondContact O-N 3.48Å
1051D89.6Confident86.6Confident39 Ų3967.1 Ų67.121%0.20936%0.356CS..  trans-80.585.8179.7-172.87.6000111.7K658 V665 D1049 L1053K658-D1051 VanDerWaalsContact NZ-CG 3.31Å; K658-D1051 IonicContact NZ-OD1 3.19Å; K658-D1051 PolarHBondContact NZ-OD1 3.12Å; K658-D1051 IonicContact NZ-OD2 2.62Å; K658-D1051 PolarHBondContact NZ-OD2 2.99Å; V665-D1051 HydrophobicContact CG1-CB 4.37Å; D1049-D1051 PolarHBondContact OD1-N 2.91Å; D1051-L1053 PolarHBondContact O-N 3.05Å; D1051-L1053 WeakPolarHBondContact OD1-CA 3.4Å; D1051-L1053 PolarHBondContact OD1-N 2.95Å
1052F89.8Confident85.6Confident56 Ų5673.1 Ų73.125%0.24638%0.384CS..  trans-80.92.5171.962.9-116.7000113.4E640 K663 V665 V1050 P1054E640-F1052 HydrophobicContact CG-CE1 3.64Å; E640-F1052 HydrophobicContact CG-CZ 3.84Å; K663-F1052 HydrophobicContact CB-CE2 3.52Å; K663-F1052 HydrophobicContact CB-CZ 3.72Å; K663-F1052 HydrophobicContact CD-CD2 4.01Å; K663-F1052 HydrophobicContact CD-CE2 3.45Å; K663-F1052 VanDerWaalsContact CD-CE2 3.45Å; K663-F1052 HydrophobicContact CD-CZ 3.85Å; K663-F1052 HydrophobicContact CG-CE2 4.07Å; K663-F1052 HydrophobicContact CG-CZ 4.24Å; V665-F1052 HydrophobicContact CG2-CE2 4.29Å; V665-F1052 HydrophobicContact CG2-CZ 4.37Å; V1050-F1052 PolarHBondContact O-N 3.48Å; F1052-P1054 WeakPolarHBondContact O-CD 3.4Å
1053L91.4Very high84.5Confident0 Ų071.6 Ų71.60%037%0.37CS..  trans-11750.5177.8-57.8176.8000112.1K658 M660 V665 D1051 Y1055 I1056K658-L1053 HydrophobicContact CB-CB 4.36Å; K658-L1053 HydrophobicContact CB-CD1 4.13Å; K658-L1053 HydrophobicContact CD-CB 4.04Å; K658-L1053 VanDerWaalsContact CD-O 3.29Å; K658-L1053 WeakPolarHBondContact CD-O 3.25Å; K658-L1053 PolarHBondContact NZ-O 2.92Å; M660-L1053 HydrophobicContact CE-CD2 3.79Å; M660-L1053 HydrophobicContact CG-CD1 4.37Å; M660-L1053 HydrophobicContact CG-CD2 4.23Å; M660-L1053 HydrophobicContact SD-CD2 3.9Å; V665-L1053 HydrophobicContact CG2-CB 4.12Å; V665-L1053 HydrophobicContact CG2-CD1 4.02Å; V665-L1053 HydrophobicContact CG2-CG 4Å; D1051-L1053 PolarHBondContact O-N 3.05Å; D1051-L1053 WeakPolarHBondContact OD1-CA 3.4Å; D1051-L1053 PolarHBondContact OD1-N 2.95Å; L1053-Y1055 HydrophobicContact CD2-CE1 4.2Å; L1053-Y1055 HydrophobicContact CD2-CE2 4.28Å; L1053-Y1055 WeakPolarHBondContact CD2-OH 3.42Å; L1053-Y1055 PolarHBondContact O-N 2.68Å; L1053-I1056 HydrophobicContact CB-CB 4.32Å; L1053-I1056 HydrophobicContact CB-CD1 4.4Å; L1053-I1056 HydrophobicContact CB-CG1 4.34Å; L1053-I1056 HydrophobicContact CD1-CD1 4.2Å; L1053-I1056 HydrophobicContact CD2-CD1 4.17Å; L1053-I1056 HydrophobicContact CG-CD1 4.48Å; L1053-I1056 PolarHBondContact O-N 2.75Å; L1053-I1056 VanDerWaalsContact O-N 3.12Å
1054P88.4Confident83Confident98 Ų9870.6 Ų70.664%0.63637%0.366SS*.THydrogen-bonded Turntrans-63.8-20.5-177.728.2-35.7000112.6F1052F1052-P1054 WeakPolarHBondContact O-CD 3.4Å
1055Y88.5Confident81.3Confident156 Ų15676.1 Ų76.161%0.61239%0.391SS*.THydrogen-bonded Turntrans-84.9-7.2-179.755.1-91.4000114.6M660 L1053M660-Y1055 HydrophobicContact SD-CE2 4.24Å; L1053-Y1055 HydrophobicContact CD2-CE1 4.2Å; L1053-Y1055 HydrophobicContact CD2-CE2 4.28Å; L1053-Y1055 WeakPolarHBondContact CD2-OH 3.42Å; L1053-Y1055 PolarHBondContact O-N 2.68Å
1056I90.9Very high79.5Confident39 Ų3982 Ų8220%0.242%0.416CS..SBendtrans-102.4135.8177.8-58.8-170.6000109.8K658 M660 L1053K658-I1056 HydrophobicContact CB-CB 4.26Å; K658-I1056 HydrophobicContact CB-CG2 4.01Å; K658-I1056 HydrophobicContact CD-CB 4.45Å; K658-I1056 WeakPolarHBondContact CD-O 3.41Å; K658-I1056 WeakPolarHBondContact CE-O 3.47Å; K658-I1056 HydrophobicContact CG-CG2 4.4Å; K658-I1056 PolarHBondContact NZ-O 2.97Å; M660-I1056 HydrophobicContact CG-CD1 3.31Å; M660-I1056 HydrophobicContact SD-CD1 3.84Å; L1053-I1056 HydrophobicContact CB-CB 4.32Å; L1053-I1056 HydrophobicContact CB-CD1 4.4Å; L1053-I1056 HydrophobicContact CB-CG1 4.34Å; L1053-I1056 HydrophobicContact CD1-CD1 4.2Å; L1053-I1056 HydrophobicContact CD2-CD1 4.17Å; L1053-I1056 HydrophobicContact CG-CD1 4.48Å; L1053-I1056 PolarHBondContact O-N 2.75Å; L1053-I1056 VanDerWaalsContact O-N 3.12Å
1057T89.3Confident77.8Confident122 Ų12284.6 Ų84.675%0.74842%0.418SS*.PPolyproline II helixtrans-74.8147.3175.444.90000112.1
1058W91.8Very high76.1Confident81 Ų8188.3 Ų88.331%0.30743%0.427SS..PPolyproline II helixtrans-67.6138.9175.7-69.1105.3000111.6K656 K658 V665 S667K656-W1058 VanDerWaalsContact C-CE3 3.49Å; K656-W1058 HydrophobicContact CB-CB 4.3Å; K656-W1058 HydrophobicContact CB-CD2 4.11Å; K656-W1058 HydrophobicContact CB-CE3 3.61Å; K656-W1058 HydrophobicContact CB-CG 4.43Å; K656-W1058 HydrophobicContact CB-CZ3 4.25Å; K656-W1058 HydrophobicContact CD-CB 4.44Å; K656-W1058 HydrophobicContact CD-CD2 3.53Å; K656-W1058 HydrophobicContact CD-CE3 3.73Å; K656-W1058 HydrophobicContact CD-CG 3.87Å; K656-W1058 HydrophobicContact CD-CH2 4.44Å; K656-W1058 HydrophobicContact CD-CZ2 4.29Å; K656-W1058 HydrophobicContact CD-CZ3 4.18Å; K656-W1058 HydrophobicContact CG-CD2 3.79Å; K656-W1058 HydrophobicContact CG-CE3 3.4Å; K656-W1058 VanDerWaalsContact CG-CE3 3.4Å; K656-W1058 HydrophobicContact CG-CG 4.42Å; K656-W1058 HydrophobicContact CG-CH2 4.29Å; K656-W1058 HydrophobicContact CG-CZ3 3.69Å; K656-W1058 VanDerWaalsContact O-CZ3 3.26Å; K656-W1058 WeakPolarHBondContact O-CZ3 3.45Å; K658-W1058 HydrophobicContact CD-CD2 4.35Å; K658-W1058 HydrophobicContact CD-CE3 4.44Å; K658-W1058 HydrophobicContact CD-CH2 4.4Å; K658-W1058 HydrophobicContact CD-CZ2 4.29Å; K658-W1058 HydrophobicContact CD-CZ3 4.47Å; K658-W1058 HydrophobicContact CG-CD2 3.83Å; K658-W1058 HydrophobicContact CG-CE3 3.63Å; K658-W1058 HydrophobicContact CG-CG 4.44Å; K658-W1058 HydrophobicContact CG-CH2 4.3Å; K658-W1058 HydrophobicContact CG-CZ2 4.46Å; K658-W1058 HydrophobicContact CG-CZ3 3.88Å; V665-W1058 HydrophobicContact CG1-CH2 3.89Å; V665-W1058 WeakPolarHBondContact O-CZ3 3.38Å; S667-W1058 VanDerWaalsContact CB-CH2 3.45Å
1059T88.1Confident74.3Confident54 Ų5494.2 Ų94.233%0.33145%0.448SS..BIsolated β-bridgetrans-100.9124.2168.1-18.90000108.4K656 I657 D1063K656-T1059 WeakPolarHBondContact CA-O 3.45Å; I657-T1059 PolarHBondContact N-O 2.86Å; I657-T1059 VanDerWaalsContact N-O 3.09Å; I657-T1059 WeakPolarHBondContact O-CB 3.46Å; I657-T1059 PolarHBondContact O-N 3.26Å; I657-T1059 PolarHBondContact O-OG1 3.32Å; T1059-D1063 HydrophobicContact CG2-CB 4.41Å
1060L85Confident72.4Confident74 Ų7494.9 Ų94.939%0.38745%0.448SS..PPolyproline II helixtrans-92159.4178.9-69.8162000111.5K656 L669 E1062 D1063K656-L1060 HydrophobicContact CB-CD2 4.14Å; L669-L1060 HydrophobicContact CD2-CD2 3.78Å; L1060-E1062 VanDerWaalsContact C-N 3.27Å; L1060-E1062 PolarHBondContact O-N 3.49Å; L1060-D1063 PolarHBondContact N-OD2 2.76Å; L1060-D1063 VanDerWaalsContact N-OD2 3.17Å; L1060-D1063 PolarHBondContact O-N 3.08Å
1061P72Confident70.3Confident45 Ų4597.7 Ų97.729%0.29247%0.468SS..Hα-helixtrans-56.2-39.4175.6-24.934.1000113.4V655 L669 D1063 K1064V655-P1061 WeakPolarHBondContact O-CG 3.21Å; L669-P1061 HydrophobicContact CD1-CG 4.26Å; P1061-D1063 VanDerWaalsContact C-N 3.3Å; P1061-D1063 PolarHBondContact O-N 3.23Å; P1061-K1064 WeakPolarHBondContact O-CB 3.38Å; P1061-K1064 PolarHBondContact O-N 3.07Å; P1061-K1064 VanDerWaalsContact O-N 3.16Å
1062E59.9Low68.3Low155 Ų15598.6 Ų98.672%0.72448%0.477SS*.Hα-helixtrans-66.1-30179.5-62.7-179.5-178.800112.9L1060 K1064 E1065 K1066L1060-E1062 VanDerWaalsContact C-N 3.27Å; L1060-E1062 PolarHBondContact O-N 3.49Å; E1062-K1064 VanDerWaalsContact C-N 3.29Å; E1062-K1064 PolarHBondContact O-N 3.19Å; E1062-E1065 PolarHBondContact O-N 2.77Å; E1062-K1066 PolarHBondContact O-N 2.69Å
1063D59.4Low66.3Low59 Ų59100 Ų10032%0.31649%0.487SS..Hα-helixtrans-69.5-28.6176.2-62.6-37.8000111.5T1059 L1060 P1061 M1067T1059-D1063 HydrophobicContact CG2-CB 4.41Å; L1060-D1063 PolarHBondContact N-OD2 2.76Å; L1060-D1063 VanDerWaalsContact N-OD2 3.17Å; L1060-D1063 PolarHBondContact O-N 3.08Å; P1061-D1063 VanDerWaalsContact C-N 3.3Å; P1061-D1063 PolarHBondContact O-N 3.23Å; D1063-M1067 WeakPolarHBondContact O-CB 3.37Å; D1063-M1067 WeakPolarHBondContact O-CG 3.35Å; D1063-M1067 PolarHBondContact O-N 3.06Å
1064K53.4Low64.4Low102 Ų102104.6 Ų104.644%0.44351%0.51SS..Hα-helixtrans-70-33.3176-71.8-175.2176.8177.90112.4P1061 E1062 R1068P1061-K1064 WeakPolarHBondContact O-CB 3.38Å; P1061-K1064 PolarHBondContact O-N 3.07Å; P1061-K1064 VanDerWaalsContact O-N 3.16Å; E1062-K1064 VanDerWaalsContact C-N 3.29Å; E1062-K1064 PolarHBondContact O-N 3.19Å; K1064-R1068 VanDerWaalsContact O-CB 3.3Å; K1064-R1068 WeakPolarHBondContact O-CB 3.14Å; K1064-R1068 WeakPolarHBondContact O-CG 3.49Å; K1064-R1068 PolarHBondContact O-N 2.91Å
1065E49.6Very low62.6Low152 Ų152103.7 Ų103.771%0.7150%0.503SS*.Hα-helixtrans-70.7-42.9174.5-75.2-167.3158.400111.3E1062 R1068 Y1069E1062-E1065 PolarHBondContact O-N 2.77Å; E1065-R1068 PolarHBondContact O-N 3.34Å; E1065-Y1069 WeakPolarHBondContact O-CB 3.39Å; E1065-Y1069 PolarHBondContact O-N 2.93Å
1066K46.7Very low60.6Low142 Ų142102.8 Ų102.862%0.61750%0.504SS*.Hα-helixtrans-62-44.6172.1-80.4-179.7178.1169.60112.5E1062 Y1069 E1070E1062-K1066 PolarHBondContact O-N 2.69Å; K1066-Y1069 WeakPolarHBondContact O-CB 3.29Å; K1066-Y1069 PolarHBondContact O-N 2.97Å; K1066-E1070 WeakPolarHBondContact O-CB 3.48Å; K1066-E1070 WeakPolarHBondContact O-CG 3.49Å; K1066-E1070 PolarHBondContact O-N 3.47Å
1067M49.9Very low58.6Low122 Ų122107.6 Ų107.660%0.60153%0.526SS*.Hα-helixtrans-68.7-33.2176.7-76.6-159.917800113.2D1063 S1071D1063-M1067 WeakPolarHBondContact O-CB 3.37Å; D1063-M1067 WeakPolarHBondContact O-CG 3.35Å; D1063-M1067 PolarHBondContact O-N 3.06Å; M1067-S1071 WeakPolarHBondContact O-CA 3.34Å; M1067-S1071 WeakPolarHBondContact O-CB 3.44Å; M1067-S1071 PolarHBondContact O-N 3.19Å
1068R51.5Low56.8Low201 Ų201104.9 Ų104.976%0.75851%0.509SS*.Hα-helixtrans-65.8-40.5170.1-89.2-176.5177.21790.1111.2K1064 E1065 S1072K1064-R1068 VanDerWaalsContact O-CB 3.3Å; K1064-R1068 WeakPolarHBondContact O-CB 3.14Å; K1064-R1068 WeakPolarHBondContact O-CG 3.49Å; K1064-R1068 PolarHBondContact O-N 2.91Å; E1065-R1068 PolarHBondContact O-N 3.34Å; R1068-S1072 VanDerWaalsContact O-CB 3.25Å; R1068-S1072 WeakPolarHBondContact O-CB 3.39Å; R1068-S1072 PolarHBondContact O-N 3.06Å; R1068-S1072 PolarHBondContact O-OG 3.2Å
1069Y49Very low54.5Low171 Ų171110.2 Ų110.267%0.67153%0.529SS*.Hα-helixtrans-64.7-48.3177.3-150.1-94.5000110.9E1065 K1066 S1072 L1073E1065-Y1069 WeakPolarHBondContact O-CB 3.39Å; E1065-Y1069 PolarHBondContact O-N 2.93Å; K1066-Y1069 WeakPolarHBondContact O-CB 3.29Å; K1066-Y1069 PolarHBondContact O-N 2.97Å; Y1069-S1072 PolarHBondContact O-N 3.06Å; Y1069-S1072 PolarHBondContact O-OG 3.18Å; Y1069-L1073 HydrophobicContact CD1-CD1 3.82Å; Y1069-L1073 HydrophobicContact CE1-CD1 4.07Å; Y1069-L1073 PolarHBondContact O-N 3.39Å
1070E46.7Very low52.7Low116 Ų116112.1 Ų112.154%0.54254%0.541SS..Hα-helixtrans-65.7-40.9175.8-72.4176.7174.900112.8K1066 S1072 L1073 I1074K1066-E1070 WeakPolarHBondContact O-CB 3.48Å; K1066-E1070 WeakPolarHBondContact O-CG 3.49Å; K1066-E1070 PolarHBondContact O-N 3.47Å; E1070-S1072 VanDerWaalsContact C-N 3.34Å; E1070-S1072 PolarHBondContact O-N 3.09Å; E1070-L1073 WeakPolarHBondContact O-CB 3.33Å; E1070-L1073 PolarHBondContact O-N 3.38Å; E1070-I1074 VanDerWaalsContact O-CG1 3.25Å; E1070-I1074 WeakPolarHBondContact O-CG1 3.43Å; E1070-I1074 PolarHBondContact O-N 2.94Å
1071S46Very low50.8Low68 Ų68116.6 Ų116.648%0.47655%0.554SS.*Hα-helixtrans-66.5-34.3175.1-175.50000112.2M1067 I1074 T1075M1067-S1071 WeakPolarHBondContact O-CA 3.34Å; M1067-S1071 WeakPolarHBondContact O-CB 3.44Å; M1067-S1071 PolarHBondContact O-N 3.19Å; S1071-I1074 PolarHBondContact O-N 3.11Å; S1071-T1075 WeakPolarHBondContact O-CB 3.47Å; S1071-T1075 PolarHBondContact O-N 2.88Å; S1071-T1075 PolarHBondContact O-OG1 3.22Å
1072S46.5Very low49.4Very low57 Ų57120.3 Ų120.340%0.39957%0.566SS.*Hα-helixtrans-68.5-37.1172.7720000112.8R1068 Y1069 E1070 T1075 Q1076R1068-S1072 VanDerWaalsContact O-CB 3.25Å; R1068-S1072 WeakPolarHBondContact O-CB 3.39Å; R1068-S1072 PolarHBondContact O-N 3.06Å; R1068-S1072 PolarHBondContact O-OG 3.2Å; Y1069-S1072 PolarHBondContact O-N 3.06Å; Y1069-S1072 PolarHBondContact O-OG 3.18Å; E1070-S1072 VanDerWaalsContact C-N 3.34Å; E1070-S1072 PolarHBondContact O-N 3.09Å; S1072-T1075 VanDerWaalsContact CA-OG1 3.32Å; S1072-T1075 WeakPolarHBondContact CA-OG1 3Å; S1072-T1075 PolarHBondContact O-OG1 3.3Å; S1072-Q1076 VanDerWaalsContact O-CB 3.31Å; S1072-Q1076 WeakPolarHBondContact O-CB 3.36Å; S1072-Q1076 PolarHBondContact O-N 3.24Å
1073L48.9Very low48.7Very low85 Ų85119.9 Ų119.945%0.44556%0.564SS.*Hα-helixtrans-63.3-45.4170.6-90148000111.2Y1069 E1070 Q1076 E1077Y1069-L1073 HydrophobicContact CD1-CD1 3.82Å; Y1069-L1073 HydrophobicContact CE1-CD1 4.07Å; Y1069-L1073 PolarHBondContact O-N 3.39Å; E1070-L1073 WeakPolarHBondContact O-CB 3.33Å; E1070-L1073 PolarHBondContact O-N 3.38Å; L1073-Q1076 PolarHBondContact O-N 2.76Å; L1073-E1077 PolarHBondContact O-N 3.34Å
1074I51Low47.9Very low97 Ų97120.6 Ų120.650%0.49757%0.573SS.*Hα-helixtrans-67.5-40.7177.8-65.1163000111.3E1070 S1071 Q1076 E1077 V1078E1070-I1074 VanDerWaalsContact O-CG1 3.25Å; E1070-I1074 WeakPolarHBondContact O-CG1 3.43Å; E1070-I1074 PolarHBondContact O-N 2.94Å; S1071-I1074 PolarHBondContact O-N 3.11Å; I1074-Q1076 VanDerWaalsContact C-N 3.27Å; I1074-Q1076 PolarHBondContact O-N 2.93Å; I1074-E1077 PolarHBondContact O-N 3.41Å; I1074-V1078 HydrophobicContact CG2-CG2 4.09Å; I1074-V1078 VanDerWaalsContact O-CB 3.3Å; I1074-V1078 WeakPolarHBondContact O-CB 3.4Å; I1074-V1078 WeakPolarHBondContact O-CG2 3.28Å; I1074-V1078 PolarHBondContact O-N 3.45Å
1075T50.3Low47.3Very low80 Ų80120.3 Ų120.349%0.49158%0.576SS.*Hα-helixtrans-69-25.7175.3320000112.8S1071 S1072 R1079S1071-T1075 WeakPolarHBondContact O-CB 3.47Å; S1071-T1075 PolarHBondContact O-N 2.88Å; S1071-T1075 PolarHBondContact O-OG1 3.22Å; S1072-T1075 VanDerWaalsContact CA-OG1 3.32Å; S1072-T1075 WeakPolarHBondContact CA-OG1 3Å; S1072-T1075 PolarHBondContact O-OG1 3.3Å; T1075-R1079 VanDerWaalsContact O-CB 3.23Å; T1075-R1079 WeakPolarHBondContact O-CB 3.48Å; T1075-R1079 WeakPolarHBondContact O-CG 3.46Å; T1075-R1079 PolarHBondContact O-N 3.34Å
1076Q46.7Very low46.8Very low136 Ų136118.1 Ų118.164%0.63657%0.569SS**Hα-helixtrans-73.3-42.6172.2-157.9167.611.400111.1S1072 L1073 I1074 R1079 T1080S1072-Q1076 VanDerWaalsContact O-CB 3.31Å; S1072-Q1076 WeakPolarHBondContact O-CB 3.36Å; S1072-Q1076 PolarHBondContact O-N 3.24Å; L1073-Q1076 PolarHBondContact O-N 2.76Å; I1074-Q1076 VanDerWaalsContact C-N 3.27Å; I1074-Q1076 PolarHBondContact O-N 2.93Å; Q1076-R1079 PolarHBondContact O-N 3.16Å; Q1076-T1080 PolarHBondContact O-N 2.92Å; Q1076-T1080 VanDerWaalsContact O-N 3.13Å; Q1076-T1080 PolarHBondContact O-OG1 3.05Å
1077E49.4Very low46.4Very low140 Ų140120 Ų12065%0.65458%0.577SS**Hα-helixtrans-65.3-42.3172.7-74.1-175157.900112.4L1073 I1074 T1080 Y1081L1073-E1077 PolarHBondContact O-N 3.34Å; I1074-E1077 PolarHBondContact O-N 3.41Å; E1077-T1080 WeakPolarHBondContact O-CB 3.26Å; E1077-T1080 PolarHBondContact O-N 2.96Å; E1077-Y1081 PolarHBondContact O-N 3.13Å
1078V50.3Low45.7Very low66 Ų66122.9 Ų122.940%0.459%0.587SS.*Hα-helixtrans-69.4-34.4177174.60000111.7I1074 T1080 Y1081 F1082I1074-V1078 HydrophobicContact CG2-CG2 4.09Å; I1074-V1078 VanDerWaalsContact O-CB 3.3Å; I1074-V1078 WeakPolarHBondContact O-CB 3.4Å; I1074-V1078 WeakPolarHBondContact O-CG2 3.28Å; I1074-V1078 PolarHBondContact O-N 3.45Å; V1078-T1080 VanDerWaalsContact C-N 3.31Å; V1078-T1080 PolarHBondContact O-N 3.39Å; V1078-Y1081 CarbonylContact O-C 3.48Å; V1078-Y1081 PolarHBondContact O-N 3.46Å; V1078-F1082 HydrophobicContact CG1-CD2 3.62Å; V1078-F1082 HydrophobicContact CG1-CE2 3.92Å; V1078-F1082 WeakPolarHBondContact O-CB 3.44Å; V1078-F1082 PolarHBondContact O-N 2.73Å
1079R44.6Very low44.9Very low193 Ų193116.7 Ų116.773%0.72857%0.574SS**Hα-helixtrans-63.4-36.4170.5-96-179.2168.1169.2-2.2112.4T1075 Q1076 Y1081 F1082 Q1083T1075-R1079 VanDerWaalsContact O-CB 3.23Å; T1075-R1079 WeakPolarHBondContact O-CB 3.48Å; T1075-R1079 WeakPolarHBondContact O-CG 3.46Å; T1075-R1079 PolarHBondContact O-N 3.34Å; Q1076-R1079 PolarHBondContact O-N 3.16Å; R1079-Y1081 VanDerWaalsContact C-N 3.3Å; R1079-F1082 PolarHBondContact O-N 2.81Å; R1079-Q1083 WeakPolarHBondContact O-CB 3.46Å; R1079-Q1083 WeakPolarHBondContact O-CG 3.48Å; R1079-Q1083 PolarHBondContact O-N 3.46Å
1080T49.1Very low44.1Very low94 Ų94118.5 Ų118.558%0.57758%0.581SS**Hα-helixtrans-68.4-33.6176.5-40.50000110.8Q1076 E1077 V1078Q1076-T1080 PolarHBondContact O-N 2.92Å; Q1076-T1080 VanDerWaalsContact O-N 3.13Å; Q1076-T1080 PolarHBondContact O-OG1 3.05Å; E1077-T1080 WeakPolarHBondContact O-CB 3.26Å; E1077-T1080 PolarHBondContact O-N 2.96Å; V1078-T1080 VanDerWaalsContact C-N 3.31Å; V1078-T1080 PolarHBondContact O-N 3.39Å
1081Y46.1Very low43.4Very low168 Ų168122 Ų12266%0.65960%0.595SS**Hα-helixtrans-78-34.1174.1-146.2-92.4000113.5E1077 V1078 R1079 S1084 L1085E1077-Y1081 PolarHBondContact O-N 3.13Å; V1078-Y1081 CarbonylContact O-C 3.48Å; V1078-Y1081 PolarHBondContact O-N 3.46Å; R1079-Y1081 VanDerWaalsContact C-N 3.3Å; Y1081-S1084 PolarHBondContact O-OG 3.15Å; Y1081-L1085 HydrophobicContact CD1-CD1 3.91Å; Y1081-L1085 HydrophobicContact CE1-CD1 4Å; Y1081-L1085 PolarHBondContact O-N 3.33Å
1082F42.9Very low42.8Very low122 Ų122127.9 Ų127.954%0.53561%0.612SS.*Hα-helixtrans-78.5-29176.9-98.1-90.6000113.4V1078 R1079 S1084 L1085 L1086V1078-F1082 HydrophobicContact CG1-CD2 3.62Å; V1078-F1082 HydrophobicContact CG1-CE2 3.92Å; V1078-F1082 WeakPolarHBondContact O-CB 3.44Å; V1078-F1082 PolarHBondContact O-N 2.73Å; R1079-F1082 PolarHBondContact O-N 2.81Å; F1082-S1084 PolarHBondContact O-N 3.39Å; F1082-L1085 PolarHBondContact O-N 3.11Å; F1082-L1086 WeakPolarHBondContact O-CB 3.32Å; F1082-L1086 PolarHBondContact O-N 2.92Å
1083Q43.9Very low42.1Very low147 Ų147130.7 Ų130.769%0.68763%0.628SS**Hα-helixtrans-64.9-27.7171.3-85-176.1-2700112.6R1079R1079-Q1083 WeakPolarHBondContact O-CB 3.46Å; R1079-Q1083 WeakPolarHBondContact O-CG 3.48Å; R1079-Q1083 PolarHBondContact O-N 3.46Å
1084S42.8Very low41.5Very low73 Ų73132.6 Ų132.651%0.5164%0.643SS.*Hα-helixtrans-80-26173.350.70000113.4Y1081 F1082Y1081-S1084 PolarHBondContact O-OG 3.15Å; F1082-S1084 PolarHBondContact O-N 3.39Å
1085L40.9Very low40.5Very low96 Ų96138.5 Ų138.550%0.50366%0.66SS.*Hα-helixtrans-84-31.1173.4-96.8122.3000114.3Y1081 F1082 F1087 F1088 S1089Y1081-L1085 HydrophobicContact CD1-CD1 3.91Å; Y1081-L1085 HydrophobicContact CE1-CD1 4Å; Y1081-L1085 PolarHBondContact O-N 3.33Å; F1082-L1085 PolarHBondContact O-N 3.11Å; L1085-F1087 PolarHBondContact O-N 3.04Å; L1085-F1088 PolarHBondContact O-N 3.05Å; L1085-S1089 PolarHBondContact O-N 2.98Å
1086L40Very low39.5Very low106 Ų106144.7 Ų144.756%0.55568%0.676SS**Hα-helixtrans-67.7-22.1176.9-88.9153.8000113.1F1082 F1088F1082-L1086 WeakPolarHBondContact O-CB 3.32Å; F1082-L1086 PolarHBondContact O-N 2.92Å; L1086-F1088 VanDerWaalsContact C-N 3.26Å; L1086-F1088 PolarHBondContact O-N 3.24Å
1087F37.7Very low38.7Very low182 Ų182148.4 Ų148.480%0.79869%0.69SS**Hα-helixtrans-70.9-20.9170.8-133.4-90.4000112.9L1085L1085-F1087 PolarHBondContact O-N 3.04Å
1088F35.9Very low37.6Very low182 Ų182153.4 Ų153.480%0.79870%0.703SS**Hα-helixtrans-95.1-25.8178.6-107.1-90.8000113.7L1085 L1086L1085-F1088 PolarHBondContact O-N 3.05Å; L1086-F1088 VanDerWaalsContact C-N 3.26Å; L1086-F1088 PolarHBondContact O-N 3.24Å
1089S33.9Very low36.9Very low72 Ų72156.6 Ų156.650%0.50373%0.725SS.*Hα-helixtrans-85.2-21.7-177.3-172.30000114L1085 F1091 F1092L1085-S1089 PolarHBondContact O-N 2.98Å; S1089-F1091 PolarHBondContact O-N 2.6Å; S1089-F1091 VanDerWaalsContact O-N 3.13Å; S1089-F1092 PolarHBondContact O-N 3.12Å
1090Y32.7Very low36.1Very low208 Ų208150.6 Ų150.682%0.81672%0.724SS**THydrogen-bonded Turntrans-70.2-7.3-179.2-148.6-96.4000114.2
1091F32.7Very low35.2Very low191 Ų191153 Ų15384%0.83874%0.738SS**THydrogen-bonded Turntrans-93.1-6.9179.7-114.2-88.9000115.1S1089S1089-F1091 PolarHBondContact O-N 2.6Å; S1089-F1091 VanDerWaalsContact O-N 3.13Å
1092F32.6Very low35.1Very low190 Ų190149.9 Ų149.983%0.83374%0.738SS**SBendtrans-121-0.6-169.6-109.5-89000117.1S1089S1089-F1092 PolarHBondContact O-N 3.12Å
1093T32.2Very low34.6Very low117 Ų117153.2 Ų153.272%0.71875%0.752SS**  trans-119.549.1-175.2-38.10000112.6
1094V34.8Very low33.8Very low125 Ų125154.9 Ų154.976%0.75877%0.765SS**SBendtrans-134.365.4164.4-172.50000108.5
1095Y31.1Very low33.2Very low220 Ų220162.7 Ų162.786%0.86378%0.783SS**SBendtrans-168.9134.1152.7-99.3-73.3000108.4
1096Y29.1Very low33.5Very low210 Ų210164 Ų16482%0.82480%0.797SS**  trans9582176.5-67.5-84.6000118.4
1097F29.3Very low33Very low214 Ų214164 Ų16494%0.93981%0.813SS**  trans-150.8106.3134.8-101.9-79.2000110.5
1098R27.6Very low32.6Very low246 Ų246158.8 Ų158.893%0.92881%0.81SS**  trans-144.8128.1153.4-100.4-166.1-180-174.81107.6
1099P34.2Very low32.3Very low133 Ų133161.5 Ų161.586%0.86482%0.815SS**  trans-95.4146.3-175.635.3-31.2000112.8
1100G28.6Very low32.1Very low67 Ų67166.1 Ų166.169%0.69183%0.832SS**  trans173.696.6168.400000116.4
1101V30.4Very low31.9Very low145 Ų145167 Ų16788%0.87983%0.834SS**  trans68.8160149.7-127.70000118.2
1102P44Very low32.9Very low102 Ų102163.5 Ų163.566%0.66283%0.831SS**  -134.7-177.3-103.844.8-25.6000116.2
1103K32.1Very low32.6Very low192 Ų192158.8 Ų158.884%0.83583%0.827SS**  trans73.7120.4158.6-68.4-179.7179.4176.50118.5
1104L27.8Very low32.5Very low181 Ų181158 Ų15895%0.94883%0.827SS**  -162.7141.6119.9-101151.4000111.4
1105R28.8Very low32.4Very low238 Ų238156.6 Ų156.690%0.89882%0.822SS**  trans-78.9170.4-177.1-98.9-169.3-167.7-1754.6112.4
1106P48.7Very low32.5Very low122 Ų122155.8 Ų155.879%0.79282%0.823SS**  trans-98.9152.8-152.638.6-34000114.2
1107A28.9Very low32.6Very low108 Ų108149 Ų14989%0.89382%0.817SS**  trans-156.7141.9159.300000105.4
1108G29Very low33.7Very low71 Ų71144.9 Ų144.973%0.73281%0.812SS**  cis-171.5176.95.400000106.1
1109W30.3Very low34Very low240 Ų240137.7 Ų137.791%0.90981%0.805SS**  trans-62.8156.8-169.6-6415.7000114.4
1110I29.4Very low35Very low168 Ų168140.9 Ų140.986%0.86283%0.826SS**  -173.4129.5119.3-87.6150.7000109.3
1111R28.8Very low35.3Very low226 Ų226144.6 Ų144.685%0.85383%0.832SS**  trans-79-163171.8-64.9178.5165.9-175.5-3.2110.7
1112P53Low35.6Very low119 Ų119144.5 Ų144.577%0.77383%0.83SS**  -126.5165-82.738.9-21.8000112.1
1113A27Very low35.1Very low90 Ų90146.9 Ų146.974%0.74484%0.839SS**  trans-172.4103.1158.700000107.9
1114S29.7Very low35.3Very low102 Ų102144.2 Ų144.271%0.71384%0.839SS**  85.3114.785.570.10000113.8
1115S33.9Very low35.8Very low94 Ų94141.9 Ų141.966%0.65783%0.833SS**  trans57.7121.1146.362.10000119.2
1116F31.2Very low36.3Very low204 Ų204135.5 Ų135.590%0.89583%0.828SS**  -169.9137103.7-103.6-80.2000108.9
1117G31.5Very low35.4Very low68 Ų68136.5 Ų136.570%0.70183%0.831SS**  trans-79.9-141.1-178.800000114.3
1118P52Low35.9Very low127 Ų127138.7 Ų138.783%0.82583%0.826SS**  -119.7167.3-92.337.3-29.1000114.5
1119A34.7Very low36.4Very low94 Ų94144.3 Ų144.378%0.77783%0.834SS**  trans70.5157.4149.100000118.8
1120P55.9Low37Very low200 Ų200135.6 Ų135.6100%1.29983%0.827SS**  cis-106.805.830.5-14.3000115.8

Retrieved 1,120 of 1,120 residues in 520.9 ms (Link to these results)

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