A0A087YBI1_POEFO Loading...

5'-AMP-activated protein kinase catalytic subunit alpha-1

AlphaFold DB , UniProt , Accession A0A087YBI1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 564 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
1M47.6Very low46.4Very low249 Ų249162.6 Ų162.6100%1.22783%0.83SS**  092.30-77.2-171.2-176.200109.3
2A39.2Very low49.6Very low89 Ų89157.4 Ų157.474%0.73681%0.812SS**  trans-176.1149.2158.900000106.6
3T41.9Very low52.7Low139 Ų139152.9 Ų152.985%0.85378%0.782SS**  trans74.266.1171.4710000118.6
4E42.3Very low55.2Low203 Ų203143.4 Ų143.495%0.94973%0.733SS**  trans-129.324.4145.1-127-177.6-162.600111.7
5K40.7Very low57.2Low202 Ų202136.9 Ų136.988%0.87872%0.716SS**  trans-106.671.8171.7-82.7-174.7173-1790109.5
6Q42.8Very low59Low186 Ų186135.1 Ų135.187%0.86970%0.703SS**  trans-171.681.8164.1-110167.912.900111.1
7K42.5Very low60.8Low179 Ų179128.9 Ų128.978%0.77867%0.668SS**SBendtrans-169.220.7158.4-115.7178-172.6-1790115
8H46.2Very low62.7Low137 Ų137123.1 Ų123.163%0.63464%0.638SS**  trans-105.5-5.8-177.7-86.9-61.3000114.9G10H8-G10 PolarHBondContact O-N 2.8Å
9E41.3Very low64.4Low199 Ų199117.5 Ų117.593%0.9361%0.609SS**THydrogen-bonded Turntrans-78.8114173.1-74.1178.2159.500109.8
10G58Low65.9Low77 Ų77113.1 Ų113.179%0.79459%0.594SS**THydrogen-bonded Turntrans1123172.500000117H8 V12H8-G10 PolarHBondContact O-N 2.8Å; G10-V12 PolarHBondContact O-N 3.08Å
11R68.4Low67.2Low129 Ų129114 Ų11449%0.48760%0.599SS.*  trans-77.5124.1174.7-65.4-170.3-174.5-178.50.3110.8K13 I18R11-K13 PolarHBondContact O-N 2.83Å; R11-I18 HydrophobicContact CB-CG2 3.77Å; R11-I18 HydrophobicContact CG-CG2 4.41Å
12V84.7Confident69.4Low100 Ų100105.3 Ų105.361%0.60656%0.56SS**  trans-63.1124.9177.4-176.50000109.3G10 L19G10-V12 PolarHBondContact O-N 3.08Å; V12-L19 HydrophobicContact CB-CD1 4.49Å; V12-L19 HydrophobicContact CG1-CD1 3.98Å; V12-L19 WeakPolarHBondContact O-CB 3.18Å; V12-L19 PolarHBondContact O-N 3.33Å
13K89.6Confident71.8Confident99 Ų99105 Ų10543%0.4355%0.546SS..EExtended strand (participates in β ladder)trans-117.7142.7-177.9-178.6176.6179.5170.50110.2R11 G15 Y17 E37R11-K13 PolarHBondContact O-N 2.83Å; K13-G15 WeakPolarHBondContact CE-O 3.43Å; K13-G15 WeakPolarHBondContact CG-O 3.29Å; K13-Y17 WeakPolarHBondContact CA-O 3.32Å; K13-E37 IonicContact NZ-OE1 2.89Å; K13-E37 PolarHBondContact NZ-OE1 3.18Å; K13-E37 IonicContact NZ-OE2 3.98Å; K13-E37 PolarHBondContact NZ-OE2 2.89Å
14I86.9Confident74Confident19 Ų1999.7 Ų99.710%0.09752%0.519CS..EExtended strand (participates in β ladder)trans-133.8117.8171.7-173.964.4000109.3H16 Y17 L19 I84 T86 F91I14-H16 PolarHBondContact O-N 2.69Å; I14-Y17 PolarHBondContact N-O 3.4Å; I14-Y17 WeakPolarHBondContact O-CB 3.16Å; I14-Y17 PolarHBondContact O-N 2.93Å; I14-L19 HydrophobicContact CG2-CD1 4.3Å; I14-L19 HydrophobicContact CG2-CD2 3.83Å; I14-L19 HydrophobicContact CG2-CG 4.12Å; I14-I84 HydrophobicContact CD1-CG2 3.88Å; I14-I84 HydrophobicContact CG1-CB 4.41Å; I14-I84 HydrophobicContact CG1-CD1 4.03Å; I14-I84 HydrophobicContact CG1-CG2 4.05Å; I14-T86 HydrophobicContact CD1-CG2 4.02Å; I14-F91 HydrophobicContact CB-CD1 4.44Å; I14-F91 HydrophobicContact CD1-CD2 3.84Å; I14-F91 HydrophobicContact CD1-CE2 3.76Å; I14-F91 HydrophobicContact CD1-CG 4.31Å; I14-F91 HydrophobicContact CD1-CZ 4.14Å; I14-F91 HydrophobicContact CG1-CB 4.37Å; I14-F91 HydrophobicContact CG1-CD1 4.02Å; I14-F91 HydrophobicContact CG1-CD2 3.89Å; I14-F91 HydrophobicContact CG1-CE1 4.28Å; I14-F91 HydrophobicContact CG1-CE2 4.16Å; I14-F91 HydrophobicContact CG1-CG 3.84Å; I14-F91 HydrophobicContact CG1-CZ 4.35Å; I14-F91 HydrophobicContact CG2-CD1 4.29Å
15G86.3Confident76Confident46 Ų4695.4 Ų95.447%0.47451%0.506SS..THydrogen-bonded Turntrans55.5-125.8-169.200000111.1K13K13-G15 WeakPolarHBondContact CE-O 3.43Å; K13-G15 WeakPolarHBondContact CG-O 3.29Å
16H84.9Confident77.5Confident108 Ų10887.2 Ų87.250%0.548%0.479SS..THydrogen-bonded Turntrans-93.412.2176-60.3-72.2000113.9I14 H36 E37I14-H16 PolarHBondContact O-N 2.69Å; H16-H36 VanDerWaalsContact CB-NE2 3.3Å; H16-H36 WeakPolarHBondContact CB-NE2 3.24Å; H16-H36 WeakPolarHBondContact O-CA 3.4Å; H16-E37 WeakPolarHBondContact O-CB 3.05Å; H16-E37 PolarHBondContact O-N 2.91Å
17Y89.9Confident78.8Confident30 Ų3083.2 Ų83.212%0.11847%0.467CS..EExtended strand (participates in β ladder)trans-108.7125.6-175.6-58.4-82.4000111.6K13 I14 Q35 H36 V43 V93K13-Y17 WeakPolarHBondContact CA-O 3.32Å; I14-Y17 PolarHBondContact N-O 3.4Å; I14-Y17 WeakPolarHBondContact O-CB 3.16Å; I14-Y17 PolarHBondContact O-N 2.93Å; Y17-Q35 WeakPolarHBondContact CA-O 3.33Å; Y17-H36 HydrophobicContact CD1-CB 3.97Å; Y17-H36 HydrophobicContact CE1-CB 3.81Å; Y17-H36 AromaticContact CE1-CD2 3.76Å; Y17-H36 AromaticContact CZ-CD2 3.94Å; Y17-V43 HydrophobicContact CD1-CG1 4.35Å; Y17-V43 HydrophobicContact CD1-CG2 3.46Å; Y17-V43 VanDerWaalsContact CD1-CG2 3.46Å; Y17-V43 HydrophobicContact CE1-CB 4.38Å; Y17-V43 HydrophobicContact CE1-CG1 3.77Å; Y17-V43 HydrophobicContact CE1-CG2 3.72Å; Y17-V43 HydrophobicContact CG-CG2 4.26Å; Y17-V93 HydrophobicContact CD2-CG2 4.28Å; Y17-V93 HydrophobicContact CE1-CG1 4.09Å; Y17-V93 HydrophobicContact CE2-CG1 4.04Å; Y17-V93 HydrophobicContact CE2-CG2 4.17Å
18I94.5Very high80.1Confident24 Ų2476 Ų7612%0.12344%0.436CS..EExtended strand (participates in β ladder)trans-87.5118.1172-56.1172.5000107.3R11 G34 Q35R11-I18 HydrophobicContact CB-CG2 3.77Å; R11-I18 HydrophobicContact CG-CG2 4.41Å; I18-G34 CarbonylContact O-C 3.59Å; I18-G34 WeakPolarHBondContact O-CA 3.34Å; I18-Q35 PolarHBondContact N-O 3.14Å; I18-Q35 PolarHBondContact O-N 3.34Å
19L95.2Very high81.7Confident17 Ų1770.3 Ų70.39%0.08941%0.414CS..EExtended strand (participates in β ladder)trans-77.8136.6179.4-59-177.6000110.7V12 I14 K32 V45 I47V12-L19 HydrophobicContact CB-CD1 4.49Å; V12-L19 HydrophobicContact CG1-CD1 3.98Å; V12-L19 WeakPolarHBondContact O-CB 3.18Å; V12-L19 PolarHBondContact O-N 3.33Å; I14-L19 HydrophobicContact CG2-CD1 4.3Å; I14-L19 HydrophobicContact CG2-CD2 3.83Å; I14-L19 HydrophobicContact CG2-CG 4.12Å; L19-K32 HydrophobicContact CB-CD 4.49Å; L19-V45 HydrophobicContact CD2-CB 3.93Å; L19-V45 HydrophobicContact CD2-CG1 4.06Å; L19-V45 HydrophobicContact CD2-CG2 3.79Å; L19-I47 HydrophobicContact CD1-CD1 4.19Å
20G94.1Very high84.1Confident30 Ų3066.3 Ų66.331%0.30939%0.394SS..EExtended strand (participates in β ladder)trans-114.8-138.7176.300000112.5K32 V33G20-K32 PolarHBondContact O-NZ 3.29Å; G20-V33 PolarHBondContact N-O 3.28Å
21D93.9Very high85.8Confident131 Ų13164.2 Ų64.270%0.70137%0.365SS*.EExtended strand (participates in β ladder)trans-66.6157.4-175.4-60.5-35.2000112.7K32 V33D21-K32 CarbonylContact O-C 3.52Å; D21-K32 VanDerWaalsContact O-CA 3.24Å; D21-K32 WeakPolarHBondContact O-CA 3.39Å; D21-V33 HydrophobicContact CB-CG1 4.41Å; D21-V33 PolarHBondContact O-N 3.21Å
22T94.5Very high87.1Confident67 Ų6760.7 Ų60.741%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-81.9122.1176.5-54.50000108.4G24 V25 K30 V31T22-G24 WeakPolarHBondContact CG2-O 3.38Å; T22-V25 HydrophobicContact CG2-CG2 4.26Å; T22-K30 HydrophobicContact CG2-CB 4.39Å; T22-V31 CarbonylContact C-O 3.48Å; T22-V31 WeakPolarHBondContact CA-O 3.48Å; T22-V31 WeakPolarHBondContact CG2-O 3.39Å
23L90.1Very high87.6Confident83 Ų8357 Ų5744%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-82-36.8176.1-63.9174.5000111.1V31 V33 A44 Y96L23-V31 HydrophobicContact CB-CG1 4.38Å; L23-V31 HydrophobicContact CD1-CG1 4.35Å; L23-V31 PolarHBondContact N-O 3.11Å; L23-V33 HydrophobicContact CD1-CB 4.12Å; L23-V33 HydrophobicContact CD2-CB 4.2Å; L23-V33 HydrophobicContact CG-CB 4.17Å; L23-A44 HydrophobicContact CD1-CB 4.26Å; L23-Y96 HydrophobicContact CD1-CD2 3.89Å; L23-Y96 HydrophobicContact CD1-CE2 3.86Å; L23-Y96 HydrophobicContact CD2-CE2 4.05Å
24G86.6Confident87.8Confident27 Ų2752.4 Ų52.428%0.27831%0.311SS..EExtended strand (participates in β ladder)trans-166.4165.7-178.700000113.1T22 V31T22-G24 WeakPolarHBondContact CG2-O 3.38Å; G24-V31 PolarHBondContact N-O 3.26Å; G24-V31 PolarHBondContact O-N 3.23Å
25V84.3Confident88Confident114 Ų11455 Ų5569%0.69132%0.323SS*.EExtended strand (participates in β ladder)trans-123.1109.2176.4-1760000108.2T22 K30T22-V25 HydrophobicContact CG2-CG2 4.26Å; V25-K30 HydrophobicContact CG1-CG 4.42Å; V25-K30 HydrophobicContact CG2-CG 4.31Å
26G73.5Confident87.8Confident30 Ų3054.2 Ų54.231%0.30931%0.307SS..EExtended strand (participates in β ladder)trans-93.8175175.400000112.4F28 G29G26-F28 VanDerWaalsContact C-N 3.26Å; G26-F28 PolarHBondContact O-N 2.74Å; G26-G29 CarbonylContact C-O 3.55Å; G26-G29 PolarHBondContact N-O 3.36Å; G26-G29 PolarHBondContact O-N 3.45Å; G26-G29 VanDerWaalsContact O-O 3.06Å
27T69.7Low87.7Confident101 Ų10152.3 Ų52.362%0.6230%0.298SS*.THydrogen-bonded Turntrans-54.1-40.8-179.2-52.60000113K52T27-K52 PolarHBondContact O-NZ 3.31Å
28F69.6Low87.2Confident29 Ų2957.1 Ų57.113%0.12733%0.326CS..THydrogen-bonded Turntrans-104.2-3.5-172.1-53.5-67.1000114.4G26 L48 L56 V58G26-F28 VanDerWaalsContact C-N 3.26Å; G26-F28 PolarHBondContact O-N 2.74Å; F28-L48 HydrophobicContact CB-CD2 3.82Å; F28-L56 HydrophobicContact CD1-CD1 4.37Å; F28-L56 HydrophobicContact CE1-CD1 4.35Å; F28-V58 HydrophobicContact CD1-CG2 4.07Å; F28-V58 HydrophobicContact CE1-CB 4.39Å; F28-V58 HydrophobicContact CE1-CG1 4.09Å; F28-V58 HydrophobicContact CE1-CG2 3.95Å
29G80.9Confident86.5Confident16 Ų1660.5 Ų60.517%0.16535%0.348CS..EExtended strand (participates in β ladder)trans174.4178.2-168.700000114.9G26 I47G26-G29 CarbonylContact C-O 3.55Å; G26-G29 PolarHBondContact N-O 3.36Å; G26-G29 PolarHBondContact O-N 3.45Å; G26-G29 VanDerWaalsContact O-O 3.06Å; G29-I47 WeakPolarHBondContact CA-O 3.42Å
30K91.3Very high86Confident116 Ų11665.3 Ų65.350%0.50437%0.368SS..EExtended strand (participates in β ladder)trans-104.5145.7175.2-61.4-177-178.7-179.70109.4T22 V25 I47T22-K30 HydrophobicContact CG2-CB 4.39Å; V25-K30 HydrophobicContact CG1-CG 4.42Å; V25-K30 HydrophobicContact CG2-CG 4.31Å; K30-I47 PolarHBondContact N-O 2.93Å; K30-I47 PolarHBondContact O-N 3.17Å
31V93.6Very high85.3Confident32 Ų3268.7 Ų68.719%0.19438%0.375CS..EExtended strand (participates in β ladder)trans-105.1126.9170.2-173.40000107.7T22 L23 G24 A44 V45 K46T22-V31 CarbonylContact C-O 3.48Å; T22-V31 WeakPolarHBondContact CA-O 3.48Å; T22-V31 WeakPolarHBondContact CG2-O 3.39Å; L23-V31 HydrophobicContact CB-CG1 4.38Å; L23-V31 HydrophobicContact CD1-CG1 4.35Å; L23-V31 PolarHBondContact N-O 3.11Å; G24-V31 PolarHBondContact N-O 3.26Å; G24-V31 PolarHBondContact O-N 3.23Å; V31-A44 HydrophobicContact CG1-CB 4.18Å; V31-V45 WeakPolarHBondContact CA-O 3.45Å; V31-K46 HydrophobicContact CG2-CB 4.15Å; V31-K46 HydrophobicContact CG2-CG 4.11Å
32K95.4Very high85Confident56 Ų5667.1 Ų67.124%0.24336%0.363CS..EExtended strand (participates in β ladder)trans-119.1150.1177.5-69.1-168.9159.4-132.10110.9L19 G20 D21 V45 I47L19-K32 HydrophobicContact CB-CD 4.49Å; G20-K32 PolarHBondContact O-NZ 3.29Å; D21-K32 CarbonylContact O-C 3.52Å; D21-K32 VanDerWaalsContact O-CA 3.24Å; D21-K32 WeakPolarHBondContact O-CA 3.39Å; K32-V45 PolarHBondContact N-O 2.67Å; K32-V45 PolarHBondContact O-N 3.15Å; K32-I47 HydrophobicContact CD-CD1 3.92Å; K32-I47 HydrophobicContact CG-CD1 4.16Å
33V95.1Very high84.8Confident23 Ų2363.9 Ų63.914%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-69.1139.1164.566.50000108.6G20 D21 L23 V43 Y96G20-V33 PolarHBondContact N-O 3.28Å; D21-V33 HydrophobicContact CB-CG1 4.41Å; D21-V33 PolarHBondContact O-N 3.21Å; L23-V33 HydrophobicContact CD1-CB 4.12Å; L23-V33 HydrophobicContact CD2-CB 4.2Å; L23-V33 HydrophobicContact CG-CB 4.17Å; V33-V43 CarbonylContact C-O 3.54Å; V33-Y96 HydrophobicContact CG2-CD2 4.49Å; V33-Y96 HydrophobicContact CG2-CE2 4.44Å
34G94.3Very high85Confident1 Ų160.4 Ų60.41%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-122.2150.117100000109.8I18 Q42 V43I18-G34 CarbonylContact O-C 3.59Å; I18-G34 WeakPolarHBondContact O-CA 3.34Å; G34-Q42 CarbonylContact O-C 3.14Å; G34-Q42 WeakPolarHBondContact O-CA 3.44Å; G34-V43 PolarHBondContact N-O 3Å; G34-V43 WeakPolarHBondContact O-CG2 3.49Å; G34-V43 PolarHBondContact O-N 2.92Å
35Q89.9Confident85.4Confident73 Ų7359.1 Ų59.134%0.34131%0.314SS..EExtended strand (participates in β ladder)trans-123.6125.4171.9-171.9175.538.700109.6Y17 I18 E37 K40Y17-Q35 WeakPolarHBondContact CA-O 3.33Å; I18-Q35 PolarHBondContact N-O 3.14Å; I18-Q35 PolarHBondContact O-N 3.34Å; Q35-E37 PolarHBondContact O-N 3.11Å; Q35-K40 WeakPolarHBondContact CG-O 3.29Å; Q35-K40 PolarHBondContact NE2-O 3.19Å; Q35-K40 VanDerWaalsContact NE2-O 3.13Å
36H82.8Confident85.9Confident31 Ų3154.5 Ų54.514%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-65.9127.6174.4-171.5-107.3000110H16 Y17 L38 T39 K40 H41H16-H36 VanDerWaalsContact CB-NE2 3.3Å; H16-H36 WeakPolarHBondContact CB-NE2 3.24Å; H16-H36 WeakPolarHBondContact O-CA 3.4Å; Y17-H36 HydrophobicContact CD1-CB 3.97Å; Y17-H36 HydrophobicContact CE1-CB 3.81Å; Y17-H36 AromaticContact CE1-CD2 3.76Å; Y17-H36 AromaticContact CZ-CD2 3.94Å; H36-L38 VanDerWaalsContact C-N 3.33Å; H36-L38 PolarHBondContact O-N 3.04Å; H36-T39 WeakPolarHBondContact CB-OG1 3.28Å; H36-T39 PolarHBondContact ND1-N 2.9Å; H36-T39 PolarHBondContact ND1-OG1 2.91Å; H36-K40 WeakPolarHBondContact O-CA 3.44Å; H36-K40 PolarHBondContact O-N 3.08Å; H36-H41 HydrophobicContact CB-CB 4.39Å; H36-H41 PolarHBondContact N-O 3.43Å
37E82.6Confident86.8Confident67 Ų6754.6 Ų54.631%0.31328%0.277SS..THydrogen-bonded Turntrans-60.5-41-168.4-179.4173.8-126.900112.9K13 H16 Q35 K40K13-E37 IonicContact NZ-OE1 2.89Å; K13-E37 PolarHBondContact NZ-OE1 3.18Å; K13-E37 IonicContact NZ-OE2 3.98Å; K13-E37 PolarHBondContact NZ-OE2 2.89Å; H16-E37 WeakPolarHBondContact O-CB 3.05Å; H16-E37 PolarHBondContact O-N 2.91Å; Q35-E37 PolarHBondContact O-N 3.11Å; E37-K40 WeakPolarHBondContact O-CE 3.31Å; E37-K40 PolarHBondContact O-NZ 3.38Å
38L80.3Confident87.9Confident132 Ų13249.8 Ų49.869%0.69125%0.248SC*.THydrogen-bonded Turntrans-87.2-51.6-174.7-59177.1000112.1H36H36-L38 VanDerWaalsContact C-N 3.33Å; H36-L38 PolarHBondContact O-N 3.04Å
39T80Confident88.9Confident95 Ų9551 Ų5158%0.58326%0.256SS*.THydrogen-bonded Turntrans-85.8-11.4-173.462.50000113.1H36 H41H36-T39 WeakPolarHBondContact CB-OG1 3.28Å; H36-T39 PolarHBondContact ND1-N 2.9Å; H36-T39 PolarHBondContact ND1-OG1 2.91Å; T39-H41 PolarHBondContact O-N 2.94Å; T39-H41 WeakPolarHBondContact OG1-CB 3.08Å; T39-H41 PolarHBondContact OG1-N 3.33Å
40K82.9Confident89.3Confident118 Ų11853.4 Ų53.451%0.51326%0.26SS..  trans59.99.2-173.1-52.9-52.7-175.3-167.60114.7Q35 H36 E37Q35-K40 WeakPolarHBondContact CG-O 3.29Å; Q35-K40 PolarHBondContact NE2-O 3.19Å; Q35-K40 VanDerWaalsContact NE2-O 3.13Å; H36-K40 WeakPolarHBondContact O-CA 3.44Å; H36-K40 PolarHBondContact O-N 3.08Å; E37-K40 WeakPolarHBondContact O-CE 3.31Å; E37-K40 PolarHBondContact O-NZ 3.38Å
41H80.6Confident89.2Confident101 Ų10155.1 Ų55.147%0.46827%0.27SS..  trans-63.5132.8178.5-170.371.5000110.9H36 T39H36-H41 HydrophobicContact CB-CB 4.39Å; H36-H41 PolarHBondContact N-O 3.43Å; T39-H41 PolarHBondContact O-N 2.94Å; T39-H41 WeakPolarHBondContact OG1-CB 3.08Å; T39-H41 PolarHBondContact OG1-N 3.33Å
42Q87.9Confident88.8Confident97 Ų9758 Ų5845%0.45328%0.279SS..EExtended strand (participates in β ladder)trans-86.1141.5179.1-66.6-174.5-66.600110.8G34 Y96G34-Q42 CarbonylContact O-C 3.14Å; G34-Q42 WeakPolarHBondContact O-CA 3.44Å; Q42-Y96 HydrophobicContact CB-CD1 3.72Å; Q42-Y96 HydrophobicContact CB-CE1 4.35Å; Q42-Y96 HydrophobicContact CB-CG 4.25Å
43V90.3Very high88.4Confident0 Ų055.7 Ų55.70%027%0.27CS..EExtended strand (participates in β ladder)trans-138158.7179.5-63.30000110.1Y17 V33 G34 V45 Y81 V93Y17-V43 HydrophobicContact CD1-CG1 4.35Å; Y17-V43 HydrophobicContact CD1-CG2 3.46Å; Y17-V43 VanDerWaalsContact CD1-CG2 3.46Å; Y17-V43 HydrophobicContact CE1-CB 4.38Å; Y17-V43 HydrophobicContact CE1-CG1 3.77Å; Y17-V43 HydrophobicContact CE1-CG2 3.72Å; Y17-V43 HydrophobicContact CG-CG2 4.26Å; V33-V43 CarbonylContact C-O 3.54Å; G34-V43 PolarHBondContact N-O 3Å; G34-V43 WeakPolarHBondContact O-CG2 3.49Å; G34-V43 PolarHBondContact O-N 2.92Å; V43-V45 HydrophobicContact CG2-CG2 3.96Å; V43-Y81 HydrophobicContact CG1-CD2 4.17Å; V43-Y81 HydrophobicContact CG1-CE2 4.21Å; V43-V93 HydrophobicContact CB-CG1 3.84Å; V43-V93 HydrophobicContact CG1-CG1 4Å; V43-V93 HydrophobicContact CG2-CG1 3.85Å
44A94.6Very high88Confident10 Ų1063.3 Ų63.38%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-99.1130.3168.200000109L23 V31 M94L23-A44 HydrophobicContact CD1-CB 4.26Å; V31-A44 HydrophobicContact CG1-CB 4.18Å; A44-M94 HydrophobicContact CB-CB 4.47Å; A44-M94 HydrophobicContact CB-CE 4.44Å; A44-M94 PolarHBondContact N-O 2.91Å; A44-M94 PolarHBondContact O-N 2.62Å
45V94.6Very high87.6Confident0 Ų067.7 Ų67.70%033%0.326CS..EExtended strand (participates in β ladder)trans-116.6105.6-178.5-172.70000109.4L19 V31 K32 V43 I47 F91 M92 V93L19-V45 HydrophobicContact CD2-CB 3.93Å; L19-V45 HydrophobicContact CD2-CG1 4.06Å; L19-V45 HydrophobicContact CD2-CG2 3.79Å; V31-V45 WeakPolarHBondContact CA-O 3.45Å; K32-V45 PolarHBondContact N-O 2.67Å; K32-V45 PolarHBondContact O-N 3.15Å; V43-V45 HydrophobicContact CG2-CG2 3.96Å; V45-I47 HydrophobicContact CG1-CG1 4.24Å; V45-F91 HydrophobicContact CG1-CB 4.12Å; V45-F91 HydrophobicContact CG1-CD1 3.97Å; V45-M92 WeakPolarHBondContact CA-O 3.47Å; V45-V93 HydrophobicContact CG2-CG2 4.49Å
46K93.6Very high87.2Confident16 Ų1668.4 Ų68.47%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-83.6119.8173.1-174.1177.4-168.4176.50108.7V31 L48 E65 F91 M92 M94 D158V31-K46 HydrophobicContact CG2-CB 4.15Å; V31-K46 HydrophobicContact CG2-CG 4.11Å; K46-L48 HydrophobicContact CD-CD2 4.46Å; K46-L48 HydrophobicContact CG-CD2 4.1Å; K46-L48 HydrophobicContact CG-CG 4.41Å; K46-E65 IonicContact NZ-OE1 2.66Å; K46-E65 PolarHBondContact NZ-OE1 3.03Å; K46-F91 WeakPolarHBondContact O-CA 3.44Å; K46-M92 HydrophobicContact CB-CB 4.24Å; K46-M92 HydrophobicContact CD-SD 4.33Å; K46-M92 PolarHBondContact N-O 2.63Å; K46-M92 PolarHBondContact O-N 3.04Å; K46-M94 HydrophobicContact CB-CE 3.67Å; K46-M94 HydrophobicContact CD-CE 4.4Å; K46-D158 IonicContact NZ-OD1 3.28Å; K46-D158 PolarHBondContact NZ-OD1 3.13Å
47I93.9Very high87.2Confident32 Ų3272.6 Ų72.616%0.16436%0.356CS..EExtended strand (participates in β ladder)trans-106.9113.7-174-49.9175.1000108.7L19 G29 K30 K32 V45 D89 F91L19-I47 HydrophobicContact CD1-CD1 4.19Å; G29-I47 WeakPolarHBondContact CA-O 3.42Å; K30-I47 PolarHBondContact N-O 2.93Å; K30-I47 PolarHBondContact O-N 3.17Å; K32-I47 HydrophobicContact CD-CD1 3.92Å; K32-I47 HydrophobicContact CG-CD1 4.16Å; V45-I47 HydrophobicContact CG1-CG1 4.24Å; I47-D89 HydrophobicContact CG2-CB 4.34Å; I47-F91 HydrophobicContact CB-CD1 4.41Å; I47-F91 HydrophobicContact CB-CE1 4.44Å; I47-F91 HydrophobicContact CD1-CD1 4.46Å; I47-F91 HydrophobicContact CD1-CE1 4.2Å; I47-F91 HydrophobicContact CG1-CD1 3.87Å; I47-F91 HydrophobicContact CG1-CE1 4.01Å; I47-F91 HydrophobicContact CG2-CD1 4.1Å; I47-F91 HydrophobicContact CG2-CE1 3.74Å; I47-F91 HydrophobicContact CG2-CZ 4.28Å
48L91.1Very high87.1Confident0 Ų069.9 Ų69.90%034%0.343CS..EExtended strand (participates in β ladder)trans-113.1120.9-175.4-56.5172.8000110.5F28 K46 I53 I62 D89 I90 M92F28-L48 HydrophobicContact CB-CD2 3.82Å; K46-L48 HydrophobicContact CD-CD2 4.46Å; K46-L48 HydrophobicContact CG-CD2 4.1Å; K46-L48 HydrophobicContact CG-CG 4.41Å; L48-I53 HydrophobicContact CB-CD1 3.81Å; L48-I62 HydrophobicContact CD1-CD1 4.37Å; L48-I62 HydrophobicContact CD1-CG2 3.79Å; L48-D89 CarbonylContact O-C 3.59Å; L48-D89 WeakPolarHBondContact O-CA 3.49Å; L48-I90 HydrophobicContact CB-CB 4.31Å; L48-I90 PolarHBondContact N-O 3.29Å; L48-I90 PolarHBondContact O-N 2.99Å; L48-M92 HydrophobicContact CD1-CG 4.46Å; L48-M92 HydrophobicContact CD1-SD 3.67Å
49N91.1Very high87.3Confident54 Ų5467.1 Ų67.129%0.28933%0.332SS..EExtended strand (participates in β ladder)trans-83.5123.4-176.7-178.4-89000112.5Q51 K52 I53 D89N49-Q51 VanDerWaalsContact C-N 3.32Å; N49-Q51 PolarHBondContact O-N 3.43Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.31Å; N49-Q51 PolarHBondContact OD1-N 3.2Å; N49-K52 HydrophobicContact CB-CB 4.15Å; N49-K52 PolarHBondContact O-N 3.46Å; N49-K52 PolarHBondContact OD1-N 2.89Å; N49-I53 WeakPolarHBondContact O-CD1 3.5Å; N49-I53 WeakPolarHBondContact O-CG1 3.19Å; N49-I53 PolarHBondContact O-N 3.09Å; N49-D89 VanDerWaalsContact CA-OD1 3.31Å; N49-D89 WeakPolarHBondContact CA-OD1 3.49Å; N49-D89 PolarHBondContact ND2-OD1 3.23Å
50R89.8Confident87.3Confident67 Ų6765 Ų6525%0.25333%0.329SS..Hα-helixtrans-63.7-33.9-174.5-69.2175.6164.6-790.8113.6I53 R54 S85 T86 P87 T88 I90R50-I53 PolarHBondContact O-N 3.48Å; R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 3.43Å; R50-S85 PolarHBondContact NH2-OG 3.02Å; R50-T86 WeakPolarHBondContact CD-O 3.28Å; R50-T86 PolarHBondContact NE-O 3Å; R50-P87 VanDerWaalsContact CD-O 3.28Å; R50-P87 WeakPolarHBondContact CD-O 3.48Å; R50-T88 WeakPolarHBondContact CB-O 3.27Å; R50-T88 WeakPolarHBondContact CG-O 3.36Å; R50-T88 PolarHBondContact N-O 2.8Å; R50-I90 HydrophobicContact CG-CD1 4.43Å; R50-I90 HydrophobicContact CG-CG1 4.13Å
51Q88.3Confident87.2Confident153 Ų15363.9 Ų63.972%0.71532%0.324SS*.Hα-helixtrans-67.7-46.1177.5-66.3-176.1-23.500110.6N49 I53 R54 S55N49-Q51 VanDerWaalsContact C-N 3.32Å; N49-Q51 PolarHBondContact O-N 3.43Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.31Å; N49-Q51 PolarHBondContact OD1-N 3.2Å; Q51-I53 VanDerWaalsContact C-N 3.29Å; Q51-I53 PolarHBondContact O-N 3.43Å; Q51-R54 PolarHBondContact O-N 2.89Å; Q51-S55 PolarHBondContact O-N 3.31Å; Q51-S55 PolarHBondContact O-OG 3.41Å
52K86.4Confident87.4Confident91 Ų9159.3 Ų59.340%0.39630%0.303SS..Hα-helixtrans-60.5-38.6175.7-164.9-179.6-172.7-171.20112.2T27 N49 S55 L56T27-K52 PolarHBondContact O-NZ 3.31Å; N49-K52 HydrophobicContact CB-CB 4.15Å; N49-K52 PolarHBondContact O-N 3.46Å; N49-K52 PolarHBondContact OD1-N 2.89Å; K52-S55 WeakPolarHBondContact CA-OG 3.3Å; K52-S55 PolarHBondContact O-OG 3.5Å; K52-L56 HydrophobicContact CG-CD1 4.08Å; K52-L56 WeakPolarHBondContact O-CB 3.31Å; K52-L56 WeakPolarHBondContact O-CG 3.28Å; K52-L56 PolarHBondContact O-N 3.01Å
53I86.2Confident87.2Confident9 Ų962.8 Ų62.85%0.04631%0.312CS..Hα-helixtrans-63.8-45.9176.7-65.7166.4000111.2L48 N49 R50 Q51 D57 V58 V59 I62 I90L48-I53 HydrophobicContact CB-CD1 3.81Å; N49-I53 WeakPolarHBondContact O-CD1 3.5Å; N49-I53 WeakPolarHBondContact O-CG1 3.19Å; N49-I53 PolarHBondContact O-N 3.09Å; R50-I53 PolarHBondContact O-N 3.48Å; Q51-I53 VanDerWaalsContact C-N 3.29Å; Q51-I53 PolarHBondContact O-N 3.43Å; I53-D57 PolarHBondContact O-N 3.45Å; I53-V58 HydrophobicContact CB-CG2 4.44Å; I53-V58 HydrophobicContact CG2-CG2 4.08Å; I53-V58 PolarHBondContact O-N 3.5Å; I53-V59 HydrophobicContact CG2-CB 4.25Å; I53-V59 HydrophobicContact CG2-CG2 3.67Å; I53-I62 HydrophobicContact CB-CD1 4.2Å; I53-I62 HydrophobicContact CD1-CD1 3.53Å; I53-I62 HydrophobicContact CG1-CD1 3.38Å; I53-I62 HydrophobicContact CG2-CD1 3.8Å; I53-I90 HydrophobicContact CD1-CD1 4.28Å
54R86.3Confident86.7Confident183 Ų18365.8 Ų65.869%0.69132%0.323SS*.Hα-helixtrans-66.6-42.2178.5-74.5176.4178.6175.30.2111.9R50 Q51 L56 D57 V59R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 3.43Å; Q51-R54 PolarHBondContact O-N 2.89Å; R54-L56 VanDerWaalsContact C-N 3.27Å; R54-L56 PolarHBondContact O-N 3.12Å; R54-D57 PolarHBondContact O-N 3.15Å; R54-V59 HydrophobicContact CG-CG2 4.45Å
55S85.9Confident86.3Confident92 Ų9265.5 Ų65.564%0.64332%0.32SS*.Hα-helixtrans-66-29.6-178.963.60000113.3Q51 K52Q51-S55 PolarHBondContact O-N 3.31Å; Q51-S55 PolarHBondContact O-OG 3.41Å; K52-S55 WeakPolarHBondContact CA-OG 3.3Å; K52-S55 PolarHBondContact O-OG 3.5Å
56L82.4Confident85.7Confident89 Ų8966.5 Ų66.547%0.46633%0.325SS..THydrogen-bonded Turntrans-93.3-0.1178.7-64.3175.2000113.4F28 K52 R54 V58F28-L56 HydrophobicContact CD1-CD1 4.37Å; F28-L56 HydrophobicContact CE1-CD1 4.35Å; K52-L56 HydrophobicContact CG-CD1 4.08Å; K52-L56 WeakPolarHBondContact O-CB 3.31Å; K52-L56 WeakPolarHBondContact O-CG 3.28Å; K52-L56 PolarHBondContact O-N 3.01Å; R54-L56 VanDerWaalsContact C-N 3.27Å; R54-L56 PolarHBondContact O-N 3.12Å; L56-V58 HydrophobicContact CB-CG1 4.08Å; L56-V58 HydrophobicContact CB-CG2 4.12Å; L56-V58 WeakPolarHBondContact O-CG1 3.46Å; L56-V58 PolarHBondContact O-N 2.9Å
57D81.7Confident85.1Confident119 Ų11970 Ų7064%0.63634%0.342SS*.THydrogen-bonded Turntrans50.840.6-175.3-163.429.2000113.8I53 R54I53-D57 PolarHBondContact O-N 3.45Å; R54-D57 PolarHBondContact O-N 3.15Å
58V81.8Confident84.2Confident9 Ų968.9 Ų68.96%0.05534%0.336CS..  trans-104.913.6-178.8-62.90000113.4F28 I53 L56 G60 K61 I62F28-V58 HydrophobicContact CD1-CG2 4.07Å; F28-V58 HydrophobicContact CE1-CB 4.39Å; F28-V58 HydrophobicContact CE1-CG1 4.09Å; F28-V58 HydrophobicContact CE1-CG2 3.95Å; I53-V58 HydrophobicContact CB-CG2 4.44Å; I53-V58 HydrophobicContact CG2-CG2 4.08Å; I53-V58 PolarHBondContact O-N 3.5Å; L56-V58 HydrophobicContact CB-CG1 4.08Å; L56-V58 HydrophobicContact CB-CG2 4.12Å; L56-V58 WeakPolarHBondContact O-CG1 3.46Å; L56-V58 PolarHBondContact O-N 2.9Å; V58-G60 VanDerWaalsContact C-N 3.29Å; V58-G60 PolarHBondContact O-N 3.4Å; V58-K61 HydrophobicContact CB-CB 4.47Å; V58-K61 HydrophobicContact CB-CD 4.35Å; V58-K61 HydrophobicContact CG1-CD 4.14Å; V58-K61 PolarHBondContact O-N 2.85Å; V58-K61 VanDerWaalsContact O-N 3.11Å; V58-I62 HydrophobicContact CG2-CD1 4.08Å; V58-I62 PolarHBondContact O-N 2.93Å; V58-I62 VanDerWaalsContact O-N 3.11Å
59V84.6Confident83.6Confident75 Ų7569.2 Ų69.246%0.45534%0.338SS..Hα-helixtrans-54.4-46-179.6179.60000111.2I53 R54 K61 I62 R63I53-V59 HydrophobicContact CG2-CB 4.25Å; I53-V59 HydrophobicContact CG2-CG2 3.67Å; R54-V59 HydrophobicContact CG-CG2 4.45Å; V59-K61 PolarHBondContact O-N 3.24Å; V59-I62 PolarHBondContact O-N 3.45Å; V59-R63 WeakPolarHBondContact O-CB 3.45Å; V59-R63 PolarHBondContact O-N 3.33Å
60G80.3Confident82.9Confident49 Ų4972.7 Ų72.751%0.50535%0.35SS..Hα-helixtrans-63.3-39.4179.300000113V58 R63 R64V58-G60 VanDerWaalsContact C-N 3.29Å; V58-G60 PolarHBondContact O-N 3.4Å; G60-R63 PolarHBondContact O-N 3.3Å; G60-R64 WeakPolarHBondContact O-CB 3.31Å; G60-R64 PolarHBondContact O-N 3.03Å
61K80.3Confident82.1Confident95 Ų9574.4 Ų74.441%0.41336%0.364SS..Hα-helixtrans-64.2-45.4178.8-63.7-178-178.71750111.5V58 V59 R64 E65V58-K61 HydrophobicContact CB-CB 4.47Å; V58-K61 HydrophobicContact CB-CD 4.35Å; V58-K61 HydrophobicContact CG1-CD 4.14Å; V58-K61 PolarHBondContact O-N 2.85Å; V58-K61 VanDerWaalsContact O-N 3.11Å; V59-K61 PolarHBondContact O-N 3.24Å; K61-R64 PolarHBondContact O-N 3.48Å; K61-E65 PolarHBondContact O-N 2.78Å
62I85.1Confident81.7Confident6 Ų667.6 Ų67.63%0.03133%0.332CS..Hα-helixtrans-70-39.1-179.4-67174.8000111.5L48 I53 V58 V59 R64 E65 I66L48-I62 HydrophobicContact CD1-CD1 4.37Å; L48-I62 HydrophobicContact CD1-CG2 3.79Å; I53-I62 HydrophobicContact CB-CD1 4.2Å; I53-I62 HydrophobicContact CD1-CD1 3.53Å; I53-I62 HydrophobicContact CG1-CD1 3.38Å; I53-I62 HydrophobicContact CG2-CD1 3.8Å; V58-I62 HydrophobicContact CG2-CD1 4.08Å; V58-I62 PolarHBondContact O-N 2.93Å; V58-I62 VanDerWaalsContact O-N 3.11Å; V59-I62 PolarHBondContact O-N 3.45Å; I62-R64 VanDerWaalsContact C-N 3.27Å; I62-R64 PolarHBondContact O-N 3.48Å; I62-E65 PolarHBondContact O-N 2.88Å; I62-I66 HydrophobicContact CG2-CD1 3.93Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.35Å
63R83.1Confident81.4Confident170 Ų17069.7 Ų69.764%0.64234%0.338SS*.Hα-helixtrans-58.3-44.2173.8-176.4177.5178.9170.90.6110.8V59 G60 I66 Q67V59-R63 WeakPolarHBondContact O-CB 3.45Å; V59-R63 PolarHBondContact O-N 3.33Å; G60-R63 PolarHBondContact O-N 3.3Å; R63-I66 PolarHBondContact O-N 3.08Å; R63-Q67 WeakPolarHBondContact O-CG 2.96Å; R63-Q67 PolarHBondContact O-N 2.99Å
64R80Confident81.4Confident62 Ų6270 Ų7023%0.23434%0.339CS..Hα-helixtrans-66-44.9176.8-176.9173.760.4-138.43.9112.5G60 K61 I62 I66 Q67 N68 S162 N163G60-R64 WeakPolarHBondContact O-CB 3.31Å; G60-R64 PolarHBondContact O-N 3.03Å; K61-R64 PolarHBondContact O-N 3.48Å; I62-R64 VanDerWaalsContact C-N 3.27Å; I62-R64 PolarHBondContact O-N 3.48Å; R64-I66 VanDerWaalsContact C-N 3.29Å; R64-I66 PolarHBondContact O-N 2.82Å; R64-Q67 PolarHBondContact O-N 2.81Å; R64-Q67 VanDerWaalsContact O-N 3.11Å; R64-N68 WeakPolarHBondContact O-CB 3.43Å; R64-N68 VanDerWaalsContact O-CG 3.25Å; R64-N68 PolarHBondContact O-N 3.25Å; R64-N68 PolarHBondContact O-OD1 3Å; R64-S162 PolarHBondContact NH2-O 3.36Å; R64-N163 PolarHBondContact NE-OD1 3.44Å; R64-N163 PolarHBondContact NH1-OD1 2.94Å; R64-N163 PolarHBondContact NH2-OD1 2.86Å
65E85.9Confident81.5Confident4 Ų464.3 Ų64.32%0.01933%0.325CS..Hα-helixtrans-54-47.5174.6-178.1-175.6176.900110.8K46 K61 I62 N68 L69 M92 F159K46-E65 IonicContact NZ-OE1 2.66Å; K46-E65 PolarHBondContact NZ-OE1 3.03Å; K61-E65 PolarHBondContact O-N 2.78Å; I62-E65 PolarHBondContact O-N 2.88Å; E65-N68 PolarHBondContact O-N 3.42Å; E65-L69 HydrophobicContact CG-CD1 3.93Å; E65-L69 VanDerWaalsContact O-CB 3.31Å; E65-L69 WeakPolarHBondContact O-CB 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.32Å; E65-L69 PolarHBondContact O-N 3.13Å; E65-M92 HydrophobicContact CG-CE 4.44Å; E65-F159 HydrophobicContact CG-CB 4.07Å
66I83.1Confident82Confident22 Ų2260.2 Ų60.211%0.11330%0.296CS..Hα-helixtrans-62.6-43.4176.6-69.7165.8000111.7I62 R63 R64 K70 V83 I90 M92I62-I66 HydrophobicContact CG2-CD1 3.93Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.35Å; R63-I66 PolarHBondContact O-N 3.08Å; R64-I66 VanDerWaalsContact C-N 3.29Å; R64-I66 PolarHBondContact O-N 2.82Å; I66-K70 HydrophobicContact CG2-CD 4.19Å; I66-K70 HydrophobicContact CG2-CG 4.47Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 VanDerWaalsContact O-CG 3.24Å; I66-K70 WeakPolarHBondContact O-CG 3.34Å; I66-K70 PolarHBondContact O-N 3.09Å; I66-K70 VanDerWaalsContact O-N 3.07Å; I66-V83 HydrophobicContact CD1-CG1 4.27Å; I66-V83 HydrophobicContact CG1-CG2 4.39Å; I66-V83 HydrophobicContact CG2-CG2 3.83Å; I66-I90 HydrophobicContact CD1-CG2 4.35Å; I66-M92 HydrophobicContact CD1-SD 4.48Å; I66-M92 HydrophobicContact CG1-CE 3.99Å; I66-M92 HydrophobicContact CG1-CG 4.39Å; I66-M92 HydrophobicContact CG1-SD 3.98Å
67Q79.1Confident82.6Confident90 Ų9056 Ų5642%0.42127%0.274SS..Hα-helixtrans-63-47.9179.2-77.4173.5-46.500111.6R63 R64 K70R63-Q67 WeakPolarHBondContact O-CG 2.96Å; R63-Q67 PolarHBondContact O-N 2.99Å; R64-Q67 PolarHBondContact O-N 2.81Å; R64-Q67 VanDerWaalsContact O-N 3.11Å; Q67-K70 PolarHBondContact O-N 2.88Å
68N75.8Confident83.2Confident7 Ų751 Ų514%0.03725%0.247CC..Hα-helixtrans-62.2-49.5179.4-65.4-2.9000110.9R64 E65 K70 L71 F72 V136R64-N68 WeakPolarHBondContact O-CB 3.43Å; R64-N68 VanDerWaalsContact O-CG 3.25Å; R64-N68 PolarHBondContact O-N 3.25Å; R64-N68 PolarHBondContact O-OD1 3Å; E65-N68 PolarHBondContact O-N 3.42Å; N68-K70 VanDerWaalsContact C-N 3.27Å; N68-K70 PolarHBondContact O-N 3.07Å; N68-L71 PolarHBondContact O-N 3.37Å; N68-L71 VanDerWaalsContact O-N 3.16Å; N68-F72 HydrophobicContact CB-CZ 4.4Å; N68-F72 WeakPolarHBondContact O-CD1 3.29Å; N68-F72 WeakPolarHBondContact O-CG 3.36Å; N68-F72 PolarHBondContact O-N 2.91Å; N68-V136 HydrophobicContact CB-CG2 4.29Å
69L78.7Confident83.3Confident8 Ų854.5 Ų54.54%0.04226%0.262CS..Hα-helixtrans-65.7-26.1-178.7-77.7174.7000114E65 L71 F72 L80 M92 F159E65-L69 HydrophobicContact CG-CD1 3.93Å; E65-L69 VanDerWaalsContact O-CB 3.31Å; E65-L69 WeakPolarHBondContact O-CB 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.32Å; E65-L69 PolarHBondContact O-N 3.13Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-F72 HydrophobicContact CD2-CD2 4.36Å; L69-L80 HydrophobicContact CB-CB 3.94Å; L69-L80 HydrophobicContact CB-CD2 3.76Å; L69-L80 HydrophobicContact CB-CG 4.5Å; L69-M92 HydrophobicContact CD1-CE 3.66Å; L69-F159 HydrophobicContact CD2-CD2 3.57Å; L69-F159 HydrophobicContact CD2-CE2 3.96Å; L69-F159 HydrophobicContact CD2-CG 4.1Å; L69-F159 HydrophobicContact CG-CB 4.42Å; L69-F159 HydrophobicContact CG-CD2 4.35Å; L69-F159 HydrophobicContact CG-CG 4.48Å
70K76.6Confident83.3Confident126 Ų12652 Ų5255%0.54825%0.245SC..Hα-helixtrans-66.7-33175.3-84.7178.9175.4-167.50112.7I66 Q67 N68 L80I66-K70 HydrophobicContact CG2-CD 4.19Å; I66-K70 HydrophobicContact CG2-CG 4.47Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 VanDerWaalsContact O-CG 3.24Å; I66-K70 WeakPolarHBondContact O-CG 3.34Å; I66-K70 PolarHBondContact O-N 3.09Å; I66-K70 VanDerWaalsContact O-N 3.07Å; Q67-K70 PolarHBondContact O-N 2.88Å; N68-K70 VanDerWaalsContact C-N 3.27Å; N68-K70 PolarHBondContact O-N 3.07Å; K70-L80 HydrophobicContact CG-CD2 3.91Å
71L71.9Confident83.4Confident104 Ų10454.4 Ų54.455%0.54524%0.24SC..Hα-helixtrans-88.3-21.9-177.3-60.8176.3000112.1N68 L69 R73N68-L71 PolarHBondContact O-N 3.37Å; N68-L71 VanDerWaalsContact O-N 3.16Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 2.67Å
72F80.5Confident83.5Confident10 Ų1054.4 Ų54.44%0.04424%0.241CC..  trans-71.2122.1-177.2-72.1-3.7000113.1N68 L69 I77 Y130 H134 V136 F159N68-F72 HydrophobicContact CB-CZ 4.4Å; N68-F72 WeakPolarHBondContact O-CD1 3.29Å; N68-F72 WeakPolarHBondContact O-CG 3.36Å; N68-F72 PolarHBondContact O-N 2.91Å; L69-F72 HydrophobicContact CD2-CD2 4.36Å; F72-I77 HydrophobicContact CD2-CD1 4.33Å; F72-I77 HydrophobicContact CD2-CG2 4.21Å; F72-Y130 HydrophobicContact CB-CE1 4.34Å; F72-Y130 AromaticContact CD1-CE1 3.8Å; F72-Y130 HydrophobicContact CD1-CE1 3.8Å; F72-Y130 HydrophobicContact CE1-CE1 4.33Å; F72-Y130 HydrophobicContact CG-CE1 4.17Å; F72-H134 HydrophobicContact CE1-CB 3.82Å; F72-V136 HydrophobicContact CE1-CG2 4.25Å; F72-V136 HydrophobicContact CE2-CG1 4.37Å; F72-V136 HydrophobicContact CZ-CB 3.77Å; F72-V136 HydrophobicContact CZ-CG1 3.96Å; F72-V136 HydrophobicContact CZ-CG2 3.72Å; F72-F159 HydrophobicContact CD2-CE1 4.22Å; F72-F159 HydrophobicContact CD2-CZ 4.21Å; F72-F159 HydrophobicContact CE2-CD1 4.07Å; F72-F159 AromaticContact CE2-CE1 3.57Å; F72-F159 HydrophobicContact CE2-CE1 3.57Å; F72-F159 AromaticContact CE2-CZ 4Å; F72-F159 HydrophobicContact CE2-CZ 4Å
73R79.6Confident83.6Confident135 Ų13556.1 Ų56.151%0.50925%0.252SS..  trans-133.581.8173.9-68.3-175177140.7-1109.9L71 Y130 M288L71-R73 PolarHBondContact O-N 2.67Å; R73-Y130 PolarHBondContact N-OH 2.65Å; R73-M288 HydrophobicContact CB-CG 4.34Å; R73-M288 HydrophobicContact CB-SD 4.44Å
74H85.8Confident83.8Confident16 Ų1649.4 Ų49.47%0.07423%0.229CC..  trans-130.3141.2179-170.2-96.6000110.7H76 I77 S126 A127 Y130H74-H76 AromaticContact CE1-CD2 3.81Å; H74-H76 PolarHBondContact ND1-N 2.89Å; H74-H76 VanDerWaalsContact ND1-N 3.11Å; H74-H76 PolarHBondContact O-N 2.8Å; H74-I77 HydrophobicContact CB-CB 4.04Å; H74-I77 HydrophobicContact CB-CD1 3.69Å; H74-I77 HydrophobicContact CB-CG1 3.81Å; H74-I77 PolarHBondContact O-N 3.24Å; H74-S126 PolarHBondContact CE1-OG 3.45Å; H74-S126 VanDerWaalsContact CE1-OG 3.26Å; H74-S126 PolarHBondContact NE2-OG 3.25Å; H74-S126 VanDerWaalsContact NE2-OG 3.08Å; H74-A127 PolarHBondContact CE1-N 3.28Å; H74-Y130 HydrophobicContact CB-CD1 4.11Å; H74-Y130 HydrophobicContact CB-CD2 4.2Å; H74-Y130 HydrophobicContact CB-CE1 4.34Å; H74-Y130 HydrophobicContact CB-CE2 4.35Å; H74-Y130 HydrophobicContact CB-CG 4.05Å; H74-Y130 AromaticContact CD2-CD2 3.57Å; H74-Y130 AromaticContact CD2-CG 3.73Å
75P89.4Confident84.3Confident62 Ų6250.1 Ų50.140%0.40324%0.244SC..THydrogen-bonded Turntrans-59.9-31.6179.921.6-33.4000113.4K155 Y276P75-K155 PolarHBondContact O-NZ 3.23Å; P75-Y276 HydrophobicContact CG-CE2 4.33Å
76H96.9Very high84.6Confident6 Ų651.6 Ų51.63%0.02825%0.253CS..THydrogen-bonded Turntrans-103.922.8-177.4-55.8-62.7000113.7H74 Q123 A127 A154 K155 I156 Y276 L277H74-H76 AromaticContact CE1-CD2 3.81Å; H74-H76 PolarHBondContact ND1-N 2.89Å; H74-H76 VanDerWaalsContact ND1-N 3.11Å; H74-H76 PolarHBondContact O-N 2.8Å; H76-Q123 HydrophobicContact CB-CB 4.47Å; H76-Q123 VanDerWaalsContact CE1-CG 3.41Å; H76-Q123 WeakPolarHBondContact CE1-CG 3.27Å; H76-Q123 PolarHBondContact CE1-NE2 2.71Å; H76-A127 HydrophobicContact CB-CB 3.97Å; H76-A127 WeakPolarHBondContact O-CB 3.32Å; H76-A154 WeakPolarHBondContact CA-O 3.31Å; H76-A154 VanDerWaalsContact CB-O 3.29Å; H76-A154 WeakPolarHBondContact CB-O 3.42Å; H76-A154 PolarHBondContact ND1-O 2.89Å; H76-K155 CarbonylContact O-C 3.5Å; H76-K155 WeakPolarHBondContact O-CA 3.38Å; H76-I156 PolarHBondContact O-N 3.32Å; H76-Y276 AromaticContact NE2-CE2 3.5Å; H76-Y276 WeakPolarHBondContact NE2-CE2 3.49Å; H76-Y276 AromaticContact NE2-CZ 3.86Å; H76-Y276 PolarHBondContact NE2-OH 3.09Å; H76-L277 VanDerWaalsContact CD2-CD2 3.47Å; H76-L277 WeakPolarHBondContact CD2-CD2 3.02Å; H76-L277 VanDerWaalsContact NE2-CD2 3.34Å; H76-L277 WeakPolarHBondContact NE2-CD2 3.42Å
77I94.8Very high85Confident2 Ų256.7 Ų56.71%0.0129%0.287CS..BIsolated β-bridgetrans-126.4136169.7-60.1175.7000107.9F72 H74 K79 A127 Y130 F159F72-I77 HydrophobicContact CD2-CD1 4.33Å; F72-I77 HydrophobicContact CD2-CG2 4.21Å; H74-I77 HydrophobicContact CB-CB 4.04Å; H74-I77 HydrophobicContact CB-CD1 3.69Å; H74-I77 HydrophobicContact CB-CG1 3.81Å; H74-I77 PolarHBondContact O-N 3.24Å; I77-K79 PolarHBondContact O-N 3.38Å; I77-A127 HydrophobicContact CD1-CB 4.27Å; I77-A127 HydrophobicContact CG1-CB 3.7Å; I77-Y130 HydrophobicContact CD1-CD1 3.72Å; I77-Y130 HydrophobicContact CD1-CE1 4.42Å; I77-Y130 HydrophobicContact CD1-CG 4.4Å; I77-F159 HydrophobicContact CG2-CE2 3.78Å; I77-F159 HydrophobicContact CG2-CZ 3.84Å
78I92.8Very high85.6Confident12 Ų1256.5 Ų56.56%0.06229%0.292CS..  trans-60.9123.2175.9-68.7-67.4000110.1M94 E95 V97 L147 K155 I156 A157I78-M94 HydrophobicContact CG2-CB 3.9Å; I78-E95 HydrophobicContact CD1-CB 4.5Å; I78-E95 HydrophobicContact CG2-CB 4.28Å; I78-V97 HydrophobicContact CD1-CG1 4.19Å; I78-V97 HydrophobicContact CD1-CG2 4.05Å; I78-L147 HydrophobicContact CD1-CD1 4.23Å; I78-L147 HydrophobicContact CG1-CD1 4.38Å; I78-K155 HydrophobicContact CD1-CB 3.83Å; I78-K155 HydrophobicContact CD1-CD 3.69Å; I78-K155 HydrophobicContact CD1-CG 4.45Å; I78-K155 HydrophobicContact CG1-CB 4.08Å; I78-I156 WeakPolarHBondContact CG1-O 3.44Å; I78-I156 PolarHBondContact N-O 3.45Å; I78-A157 HydrophobicContact CG1-CB 3.87Å
79K84.9Confident86.4Confident83 Ų8357.7 Ų57.736%0.36130%0.299SS..  trans-78137.4-179-61.7177.2-177.4175.30111.4I77 Y81 M94 E95I77-K79 PolarHBondContact O-N 3.38Å; K79-Y81 HydrophobicContact CB-CD1 4.48Å; K79-Y81 HydrophobicContact CB-CE1 4.06Å; K79-M94 CarbonylContact O-C 3.48Å; K79-M94 WeakPolarHBondContact O-CA 3.3Å; K79-E95 HydrophobicContact CB-CB 4.21Å; K79-E95 PolarHBondContact O-N 3.1Å
80L84.7Confident87Confident22 Ų2258.4 Ų58.412%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-91.1114.6166.6177.965.1000109.2L69 K70 V83 M92 M94L69-L80 HydrophobicContact CB-CB 3.94Å; L69-L80 HydrophobicContact CB-CD2 3.76Å; L69-L80 HydrophobicContact CB-CG 4.5Å; K70-L80 HydrophobicContact CG-CD2 3.91Å; L80-V83 HydrophobicContact CD1-CG2 4.11Å; L80-V83 HydrophobicContact CD2-CG2 3.89Å; L80-V83 HydrophobicContact CG-CG2 4.35Å; L80-M92 HydrophobicContact CD1-CB 3.86Å; L80-M92 HydrophobicContact CD1-CE 4.24Å; L80-M92 HydrophobicContact CD1-CG 4.46Å; L80-M92 HydrophobicContact CD2-CE 4.43Å; L80-M94 HydrophobicContact CD1-CG 3.89Å
81Y81.6Confident87.7Confident101 Ų10153.4 Ų53.440%0.39628%0.281SS..EExtended strand (participates in β ladder)trans-83.7-45.6179-61.3-44.9000112.3V43 K79 V93 E95V43-Y81 HydrophobicContact CG1-CD2 4.17Å; V43-Y81 HydrophobicContact CG1-CE2 4.21Å; K79-Y81 HydrophobicContact CB-CD1 4.48Å; K79-Y81 HydrophobicContact CB-CE1 4.06Å; Y81-V93 HydrophobicContact CD2-CG1 4.47Å; Y81-V93 PolarHBondContact N-O 2.64Å; Y81-E95 HydrophobicContact CE2-CB 4.26Å
82Q82.8Confident88.7Confident94 Ų9448.5 Ų48.544%0.43926%0.255SS..EExtended strand (participates in β ladder)trans-154.7150.9-173.8-169.8178.312.800111.2I84 V93Q82-I84 HydrophobicContact CG-CG1 4.14Å; Q82-V93 HydrophobicContact CB-CB 4.27Å; Q82-V93 PolarHBondContact N-O 2.91Å; Q82-V93 PolarHBondContact O-N 2.89Å
83V87.8Confident89.1Confident43 Ų4348 Ų4826%0.26125%0.253SS..EExtended strand (participates in β ladder)trans-115.9123.8165.4-177.80000109I66 L80 I90 F91 M92I66-V83 HydrophobicContact CD1-CG1 4.27Å; I66-V83 HydrophobicContact CG1-CG2 4.39Å; I66-V83 HydrophobicContact CG2-CG2 3.83Å; L80-V83 HydrophobicContact CD1-CG2 4.11Å; L80-V83 HydrophobicContact CD2-CG2 3.89Å; L80-V83 HydrophobicContact CG-CG2 4.35Å; V83-I90 HydrophobicContact CG1-CG2 3.72Å; V83-F91 CarbonylContact C-O 3.56Å; V83-F91 WeakPolarHBondContact CA-O 3.5Å; V83-M92 HydrophobicContact CG2-CG 4.33Å
84I87.9Confident89.6Confident28 Ų2842.7 Ų42.714%0.14423%0.234CC..EExtended strand (participates in β ladder)trans-109.1129.1176.1-55.4169.7000107.9I14 Q82 F91 V93I14-I84 HydrophobicContact CD1-CG2 3.88Å; I14-I84 HydrophobicContact CG1-CB 4.41Å; I14-I84 HydrophobicContact CG1-CD1 4.03Å; I14-I84 HydrophobicContact CG1-CG2 4.05Å; Q82-I84 HydrophobicContact CG-CG1 4.14Å; I84-F91 HydrophobicContact CB-CB 4.21Å; I84-F91 PolarHBondContact N-O 2.87Å; I84-F91 PolarHBondContact O-N 3.43Å; I84-V93 HydrophobicContact CD1-CG2 4.21Å
85S89.4Confident89.7Confident78 Ų7843.5 Ų43.555%0.54524%0.238SC..EExtended strand (participates in β ladder)trans-113.2131.6-177.8167.10000110.3R50R50-S85 PolarHBondContact NH2-OG 3.02Å
86T91.4Very high89.8Confident34 Ų3443.6 Ų43.621%0.20923%0.231CC..  trans-122.1169.6172.368.40000110I14 R50 T88 D89 F91I14-T86 HydrophobicContact CD1-CG2 4.02Å; R50-T86 WeakPolarHBondContact CD-O 3.28Å; R50-T86 PolarHBondContact NE-O 3Å; T86-T88 PolarHBondContact O-N 2.83Å; T86-D89 PolarHBondContact N-O 2.76Å; T86-D89 PolarHBondContact OG1-N 3.19Å; T86-D89 PolarHBondContact OG1-O 3.36Å; T86-F91 HydrophobicContact CG2-CD2 4.19Å; T86-F91 HydrophobicContact CG2-CE2 3.69Å
87P93.1Very high89.5Confident130 Ų13044.1 Ų44.184%0.84423%0.234SC*.SBendtrans-59-30176.2-27.136.7000114.3R50R50-P87 VanDerWaalsContact CD-O 3.28Å; R50-P87 WeakPolarHBondContact CD-O 3.48Å
88T90.6Very high89.3Confident85 Ų8547.3 Ų47.352%0.52126%0.257SS..SBendtrans-99.8-38.8-176.254.90000113.1R50 T86R50-T88 WeakPolarHBondContact CB-O 3.27Å; R50-T88 WeakPolarHBondContact CG-O 3.36Å; R50-T88 PolarHBondContact N-O 2.8Å; T86-T88 PolarHBondContact O-N 2.83Å
89D92.8Very high89.2Confident33 Ų3348.5 Ų48.518%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-138.6157.5-168-54.2-76.8000112.6I47 L48 N49 T86 F91I47-D89 HydrophobicContact CG2-CB 4.34Å; L48-D89 CarbonylContact O-C 3.59Å; L48-D89 WeakPolarHBondContact O-CA 3.49Å; N49-D89 VanDerWaalsContact CA-OD1 3.31Å; N49-D89 WeakPolarHBondContact CA-OD1 3.49Å; N49-D89 PolarHBondContact ND2-OD1 3.23Å; T86-D89 PolarHBondContact N-O 2.76Å; T86-D89 PolarHBondContact OG1-N 3.19Å; T86-D89 PolarHBondContact OG1-O 3.36Å; D89-F91 HydrophobicContact CB-CE2 3.78Å; D89-F91 HydrophobicContact CB-CZ 3.96Å
90I91.3Very high89.7Confident22 Ų2246.2 Ų46.211%0.11327%0.271CS..EExtended strand (participates in β ladder)trans-113131170.9-58.1170.9000107.5L48 R50 I53 I66 V83L48-I90 HydrophobicContact CB-CB 4.31Å; L48-I90 PolarHBondContact N-O 3.29Å; L48-I90 PolarHBondContact O-N 2.99Å; R50-I90 HydrophobicContact CG-CD1 4.43Å; R50-I90 HydrophobicContact CG-CG1 4.13Å; I53-I90 HydrophobicContact CD1-CD1 4.28Å; I66-I90 HydrophobicContact CD1-CG2 4.35Å; V83-I90 HydrophobicContact CG1-CG2 3.72Å
91F92.6Very high90.2Very high22 Ų2248.4 Ų48.410%0.09628%0.281CS..EExtended strand (participates in β ladder)trans-114.4118.8-179.6-58-99.4000109.2I14 V45 K46 I47 V83 I84 T86 D89I14-F91 HydrophobicContact CB-CD1 4.44Å; I14-F91 HydrophobicContact CD1-CD2 3.84Å; I14-F91 HydrophobicContact CD1-CE2 3.76Å; I14-F91 HydrophobicContact CD1-CG 4.31Å; I14-F91 HydrophobicContact CD1-CZ 4.14Å; I14-F91 HydrophobicContact CG1-CB 4.37Å; I14-F91 HydrophobicContact CG1-CD1 4.02Å; I14-F91 HydrophobicContact CG1-CD2 3.89Å; I14-F91 HydrophobicContact CG1-CE1 4.28Å; I14-F91 HydrophobicContact CG1-CE2 4.16Å; I14-F91 HydrophobicContact CG1-CG 3.84Å; I14-F91 HydrophobicContact CG1-CZ 4.35Å; I14-F91 HydrophobicContact CG2-CD1 4.29Å; V45-F91 HydrophobicContact CG1-CB 4.12Å; V45-F91 HydrophobicContact CG1-CD1 3.97Å; K46-F91 WeakPolarHBondContact O-CA 3.44Å; I47-F91 HydrophobicContact CB-CD1 4.41Å; I47-F91 HydrophobicContact CB-CE1 4.44Å; I47-F91 HydrophobicContact CD1-CD1 4.46Å; I47-F91 HydrophobicContact CD1-CE1 4.2Å; I47-F91 HydrophobicContact CG1-CD1 3.87Å; I47-F91 HydrophobicContact CG1-CE1 4.01Å; I47-F91 HydrophobicContact CG2-CD1 4.1Å; I47-F91 HydrophobicContact CG2-CE1 3.74Å; I47-F91 HydrophobicContact CG2-CZ 4.28Å; V83-F91 CarbonylContact C-O 3.56Å; V83-F91 WeakPolarHBondContact CA-O 3.5Å; I84-F91 HydrophobicContact CB-CB 4.21Å; I84-F91 PolarHBondContact N-O 2.87Å; I84-F91 PolarHBondContact O-N 3.43Å; T86-F91 HydrophobicContact CG2-CD2 4.19Å; T86-F91 HydrophobicContact CG2-CE2 3.69Å; D89-F91 HydrophobicContact CB-CE2 3.78Å; D89-F91 HydrophobicContact CB-CZ 3.96Å
92M91.8Very high91Very high0 Ų043.6 Ų43.60%026%0.262CS..EExtended strand (participates in β ladder)trans-100.6112.6173-61.5168.864.900108.2V45 K46 L48 E65 I66 L69 L80 V83 M94V45-M92 WeakPolarHBondContact CA-O 3.47Å; K46-M92 HydrophobicContact CB-CB 4.24Å; K46-M92 HydrophobicContact CD-SD 4.33Å; K46-M92 PolarHBondContact N-O 2.63Å; K46-M92 PolarHBondContact O-N 3.04Å; L48-M92 HydrophobicContact CD1-CG 4.46Å; L48-M92 HydrophobicContact CD1-SD 3.67Å; E65-M92 HydrophobicContact CG-CE 4.44Å; I66-M92 HydrophobicContact CD1-SD 4.48Å; I66-M92 HydrophobicContact CG1-CE 3.99Å; I66-M92 HydrophobicContact CG1-CG 4.39Å; I66-M92 HydrophobicContact CG1-SD 3.98Å; L69-M92 HydrophobicContact CD1-CE 3.66Å; L80-M92 HydrophobicContact CD1-CB 3.86Å; L80-M92 HydrophobicContact CD1-CE 4.24Å; L80-M92 HydrophobicContact CD1-CG 4.46Å; L80-M92 HydrophobicContact CD2-CE 4.43Å; V83-M92 HydrophobicContact CG2-CG 4.33Å; M92-M94 HydrophobicContact CB-CG 4.42Å; M92-M94 HydrophobicContact CB-SD 4.5Å
93V88.5Confident91.6Very high0 Ų043 Ų430%026%0.259CS..EExtended strand (participates in β ladder)trans-91.5116.4178.2-1760000108.2Y17 V43 V45 Y81 Q82 I84Y17-V93 HydrophobicContact CD2-CG2 4.28Å; Y17-V93 HydrophobicContact CE1-CG1 4.09Å; Y17-V93 HydrophobicContact CE2-CG1 4.04Å; Y17-V93 HydrophobicContact CE2-CG2 4.17Å; V43-V93 HydrophobicContact CB-CG1 3.84Å; V43-V93 HydrophobicContact CG1-CG1 4Å; V43-V93 HydrophobicContact CG2-CG1 3.85Å; V45-V93 HydrophobicContact CG2-CG2 4.49Å; Y81-V93 HydrophobicContact CD2-CG1 4.47Å; Y81-V93 PolarHBondContact N-O 2.64Å; Q82-V93 HydrophobicContact CB-CB 4.27Å; Q82-V93 PolarHBondContact N-O 2.91Å; Q82-V93 PolarHBondContact O-N 2.89Å; I84-V93 HydrophobicContact CD1-CG2 4.21Å
94M90.1Very high91.9Very high23 Ų2345.4 Ų45.411%0.11327%0.27CS..EExtended strand (participates in β ladder)trans-126.7164.2-169.3-57.4177.8-57.500111.2A44 K46 I78 K79 L80 M92 Y96A44-M94 HydrophobicContact CB-CB 4.47Å; A44-M94 HydrophobicContact CB-CE 4.44Å; A44-M94 PolarHBondContact N-O 2.91Å; A44-M94 PolarHBondContact O-N 2.62Å; K46-M94 HydrophobicContact CB-CE 3.67Å; K46-M94 HydrophobicContact CD-CE 4.4Å; I78-M94 HydrophobicContact CG2-CB 3.9Å; K79-M94 CarbonylContact O-C 3.48Å; K79-M94 WeakPolarHBondContact O-CA 3.3Å; L80-M94 HydrophobicContact CD1-CG 3.89Å; M92-M94 HydrophobicContact CB-CG 4.42Å; M92-M94 HydrophobicContact CB-SD 4.5Å; M94-Y96 PolarHBondContact O-N 3.25Å
95E88.1Confident92.3Very high33 Ų3346.8 Ų46.815%0.15427%0.274CS..EExtended strand (participates in β ladder)trans-53.5129.6170-177.6174.8-151.400110.6I78 K79 Y81 V97 K155I78-E95 HydrophobicContact CD1-CB 4.5Å; I78-E95 HydrophobicContact CG2-CB 4.28Å; K79-E95 HydrophobicContact CB-CB 4.21Å; K79-E95 PolarHBondContact O-N 3.1Å; Y81-E95 HydrophobicContact CE2-CB 4.26Å; E95-V97 HydrophobicContact CG-CG1 4.49Å; E95-K155 VanDerWaalsContact CD-CE 3.5Å; E95-K155 VanDerWaalsContact OE1-CE 3.24Å; E95-K155 WeakPolarHBondContact OE1-CE 3.44Å; E95-K155 IonicContact OE1-NZ 3.74Å; E95-K155 PolarHBondContact OE1-NZ 3.22Å; E95-K155 WeakPolarHBondContact OE2-CD 3.49Å; E95-K155 WeakPolarHBondContact OE2-CE 3.35Å; E95-K155 IonicContact OE2-NZ 2.82Å; E95-K155 PolarHBondContact OE2-NZ 3.38Å
96Y91.6Very high92.7Very high65 Ų6543.7 Ų43.726%0.25525%0.251SS..  trans-93.5135.1171.2173.7-107.9000109.9L23 V33 Q42 M94L23-Y96 HydrophobicContact CD1-CD2 3.89Å; L23-Y96 HydrophobicContact CD1-CE2 3.86Å; L23-Y96 HydrophobicContact CD2-CE2 4.05Å; V33-Y96 HydrophobicContact CG2-CD2 4.49Å; V33-Y96 HydrophobicContact CG2-CE2 4.44Å; Q42-Y96 HydrophobicContact CB-CD1 3.72Å; Q42-Y96 HydrophobicContact CB-CE1 4.35Å; Q42-Y96 HydrophobicContact CB-CG 4.25Å; M94-Y96 PolarHBondContact O-N 3.25Å
97V90.8Very high92.8Very high17 Ų1746.1 Ų46.110%0.10327%0.268CS..  trans-125138.2170.2-70.50000110.6I78 E95 L147 L148 D149 K155I78-V97 HydrophobicContact CD1-CG1 4.19Å; I78-V97 HydrophobicContact CD1-CG2 4.05Å; E95-V97 HydrophobicContact CG-CG1 4.49Å; V97-L147 HydrophobicContact CG2-CB 3.45Å; V97-L147 VanDerWaalsContact CG2-CB 3.45Å; V97-L147 HydrophobicContact CG2-CD1 3.73Å; V97-L147 HydrophobicContact CG2-CG 4.24Å; V97-L148 WeakPolarHBondContact CB-O 3.31Å; V97-D149 HydrophobicContact CB-CB 4.29Å; V97-D149 HydrophobicContact CG1-CB 3.86Å; V97-K155 HydrophobicContact CG1-CD 3.6Å
98S91.4Very high92.9Very high69 Ų6948.3 Ų48.348%0.48326%0.264SS..SBendtrans-95.2-11.2-167.957.30000114.7G100S98-G100 VanDerWaalsContact C-N 3.28Å; S98-G100 PolarHBondContact O-N 3.21Å
99G90.9Very high93.1Very high36 Ų3648.3 Ų48.337%0.37126%0.261SS..SBendtrans-80.3-5.7-176.600000114.4L148G99-L148 CarbonylContact C-O 3.59Å; G99-L148 WeakPolarHBondContact CA-O 3.48Å; G99-L148 PolarHBondContact N-O 3.38Å
100G94.1Very high93.1Very high35 Ų3548.2 Ų48.236%0.36127%0.268SS..  trans75.9-159.317800000113.2S98 L147 L148S98-G100 VanDerWaalsContact C-N 3.28Å; S98-G100 PolarHBondContact O-N 3.21Å; G100-L147 CarbonylContact O-C 3.49Å; G100-L147 VanDerWaalsContact O-CA 3.27Å; G100-L147 WeakPolarHBondContact O-CA 3.37Å; G100-L148 PolarHBondContact O-N 2.77Å
101E95.8Very high93.2Very high69 Ų6952 Ų5232%0.32228%0.284SS..BIsolated β-bridgetrans-81.8144.2-179.3-61.2178.1-163.900111.2F103 D104 Y105 L147E101-F103 HydrophobicContact CB-CB 4.4Å; E101-F103 PolarHBondContact O-N 3.27Å; E101-D104 PolarHBondContact O-N 3.21Å; E101-Y105 PolarHBondContact O-N 2.93Å; E101-L147 HydrophobicContact CB-CD2 4.45Å; E101-L147 HydrophobicContact CG-CD2 3.82Å
102L97.5Very high93.4Very high0 Ų051.8 Ų51.80%028%0.283CS..Hα-helixtrans-62.4-30.3173.2177.162.6000111.2Y105 I106 L120 I124 P143 V146 L148 I204 L208L102-Y105 HydrophobicContact CD1-CD1 4.15Å; L102-Y105 WeakPolarHBondContact O-CB 3.36Å; L102-Y105 PolarHBondContact O-N 2.9Å; L102-I106 HydrophobicContact CD1-CG1 4.45Å; L102-I106 HydrophobicContact CG-CD1 4.14Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.96Å; L102-L120 HydrophobicContact CD1-CD1 4.06Å; L102-I124 HydrophobicContact CD2-CD1 4.18Å; L102-P143 HydrophobicContact CB-CB 4.34Å; L102-P143 WeakPolarHBondContact CB-O 3.44Å; L102-P143 HydrophobicContact CG-CB 4.33Å; L102-P143 PolarHBondContact N-O 3.23Å; L102-V146 HydrophobicContact CB-CB 4.03Å; L102-V146 HydrophobicContact CB-CG1 4.16Å; L102-V146 WeakPolarHBondContact CB-O 3.27Å; L102-V146 HydrophobicContact CD2-CB 3.93Å; L102-V146 HydrophobicContact CD2-CG1 3.79Å; L102-V146 PolarHBondContact N-O 2.78Å; L102-L148 HydrophobicContact CD1-CD1 4.08Å; L102-L148 HydrophobicContact CD1-CD2 4.36Å; L102-I204 HydrophobicContact CD2-CG2 4.38Å; L102-L208 HydrophobicContact CD1-CD2 3.9Å; L102-L208 HydrophobicContact CD2-CD2 4.13Å; L102-L208 HydrophobicContact CG-CD2 4.3Å
103F96.1Very high93.6Very high82 Ų8259.1 Ų59.136%0.3632%0.318SS..Hα-helixtrans-54.8-55.1173-177-95.8000112E101 Y105 I106 C107 P143 E144E101-F103 HydrophobicContact CB-CB 4.4Å; E101-F103 PolarHBondContact O-N 3.27Å; F103-Y105 PolarHBondContact O-N 3.37Å; F103-I106 PolarHBondContact O-N 3Å; F103-I106 VanDerWaalsContact O-N 3.11Å; F103-C107 WeakPolarHBondContact CE1-SG 3.47Å; F103-C107 PolarHBondContact O-N 2.86Å; F103-C107 PolarHBondContact O-SG 2.97Å; F103-P143 HydrophobicContact CB-CB 3.87Å; F103-P143 HydrophobicContact CD2-CB 4.4Å; F103-P143 PolarHBondContact N-O 3.43Å; F103-E144 HydrophobicContact CB-CG 3.98Å; F103-E144 HydrophobicContact CD2-CG 4.32Å; F103-E144 HydrophobicContact CG-CG 4.1Å
104D94.8Very high94Very high92 Ų9262.1 Ų62.149%0.49233%0.332SS..Hα-helixtrans-61.2-35.8179.4-70.4-30.8000111.6E101 C107 K108E101-D104 PolarHBondContact O-N 3.21Å; D104-C107 PolarHBondContact O-N 3.33Å; D104-K108 VanDerWaalsContact O-CB 3.26Å; D104-K108 WeakPolarHBondContact O-CB 3.37Å; D104-K108 PolarHBondContact O-N 3.45Å
105Y96.6Very high94.3Very high58 Ų5867.8 Ų67.823%0.22736%0.356CS..Hα-helixtrans-63.2-43.2175.8-175.7-110000112.3E101 L102 F103 N109 L112 L148 M152E101-Y105 PolarHBondContact O-N 2.93Å; L102-Y105 HydrophobicContact CD1-CD1 4.15Å; L102-Y105 WeakPolarHBondContact O-CB 3.36Å; L102-Y105 PolarHBondContact O-N 2.9Å; F103-Y105 PolarHBondContact O-N 3.37Å; Y105-N109 WeakPolarHBondContact CD2-ND2 3.44Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.49Å; Y105-N109 WeakPolarHBondContact O-CB 3.33Å; Y105-N109 PolarHBondContact O-N 2.9Å; Y105-N109 VanDerWaalsContact O-N 3.11Å; Y105-N109 PolarHBondContact O-ND2 3.37Å; Y105-L112 HydrophobicContact CD1-CD1 4.05Å; Y105-L112 HydrophobicContact CD1-CD2 4.05Å; Y105-L112 HydrophobicContact CE1-CD1 3.7Å; Y105-L112 HydrophobicContact CE1-CD2 3.5Å; Y105-L112 HydrophobicContact CE1-CG 4.26Å; Y105-L148 HydrophobicContact CD1-CD1 4.07Å; Y105-L148 HydrophobicContact CD2-CD1 4.36Å; Y105-L148 HydrophobicContact CG-CD1 3.78Å; Y105-M152 HydrophobicContact CD1-CE 4.13Å; Y105-M152 HydrophobicContact CD2-CE 3.5Å; Y105-M152 VanDerWaalsContact CD2-CE 3.5Å; Y105-M152 HydrophobicContact CE1-CE 3.81Å; Y105-M152 HydrophobicContact CE2-CE 3.15Å; Y105-M152 HydrophobicContact CG-CE 3.98Å
106I96.6Very high94.8Very high13 Ų1368.3 Ų68.37%0.06736%0.358CS..Hα-helixtrans-66-46.4174.1-64.1165.9000110.2L102 F103 K108 N109 G110 P143 A207 L208L102-I106 HydrophobicContact CD1-CG1 4.45Å; L102-I106 HydrophobicContact CG-CD1 4.14Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.96Å; F103-I106 PolarHBondContact O-N 3Å; F103-I106 VanDerWaalsContact O-N 3.11Å; I106-K108 VanDerWaalsContact C-N 3.26Å; I106-K108 PolarHBondContact O-N 3.46Å; I106-N109 PolarHBondContact O-N 3.35Å; I106-G110 CarbonylContact O-C 3.51Å; I106-G110 VanDerWaalsContact O-CA 3.24Å; I106-G110 WeakPolarHBondContact O-CA 3.21Å; I106-G110 PolarHBondContact O-N 3.46Å; I106-G110 VanDerWaalsContact O-O 3.09Å; I106-P143 HydrophobicContact CD1-CB 4.35Å; I106-P143 HydrophobicContact CD1-CG 4.41Å; I106-A207 HydrophobicContact CD1-CB 4.35Å; I106-L208 HydrophobicContact CD1-CD2 3.88Å; I106-L208 HydrophobicContact CD1-CG 4.45Å; I106-L208 HydrophobicContact CG1-CD2 4.16Å
107C95.1Very high95.1Very high84 Ų8465.2 Ų65.257%0.56835%0.346SS*.Hα-helixtrans-59.5-37.2178.9-71.60000112.8F103 D104F103-C107 WeakPolarHBondContact CE1-SG 3.47Å; F103-C107 PolarHBondContact O-N 2.86Å; F103-C107 PolarHBondContact O-SG 2.97Å; D104-C107 PolarHBondContact O-N 3.33Å
108K94.9Very high95.5Very high177 Ų17764.9 Ų64.977%0.7734%0.343SS*.Hα-helixtrans-75.2-39.3-179.4-175.1179.1178.2-176.50113.3D104 I106D104-K108 VanDerWaalsContact O-CB 3.26Å; D104-K108 WeakPolarHBondContact O-CB 3.37Å; D104-K108 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact C-N 3.26Å; I106-K108 PolarHBondContact O-N 3.46Å
109N93.5Very high95.9Very high84 Ų8464.5 Ų64.545%0.44933%0.331SS..Hα-helixtrans-101-9.7-173.5-61.7-79.8000113.3Y105 I106 L112Y105-N109 WeakPolarHBondContact CD2-ND2 3.44Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.49Å; Y105-N109 WeakPolarHBondContact O-CB 3.33Å; Y105-N109 PolarHBondContact O-N 2.9Å; Y105-N109 VanDerWaalsContact O-N 3.11Å; Y105-N109 PolarHBondContact O-ND2 3.37Å; I106-N109 PolarHBondContact O-N 3.35Å; N109-L112 HydrophobicContact CB-CD2 4.05Å
110G93.8Very high96.2Very high32 Ų3262.8 Ų62.833%0.3331%0.313SS..  trans71.5-143.5-168.600000111.2I106I106-G110 CarbonylContact O-C 3.51Å; I106-G110 VanDerWaalsContact O-CA 3.24Å; I106-G110 WeakPolarHBondContact O-CA 3.21Å; I106-G110 PolarHBondContact O-N 3.46Å; I106-G110 VanDerWaalsContact O-O 3.09Å
111K92.4Very high96.5Very high102 Ų10261.1 Ų61.144%0.44330%0.296SS..SBendtrans-66.1143.7172.170.7-178.6-175.5-177.30110.8L209 Y237K111-L209 WeakPolarHBondContact CB-O 3.5Å; K111-Y237 HydrophobicContact CD-CE2 3.99Å
112L96.4Very high96.6Very high16 Ų1658 Ų588%0.08428%0.282CS..PPolyproline II helixtrans-91.4160.4177.2-52.7-179.7000110.7Y105 N109 S117 L120 L208Y105-L112 HydrophobicContact CD1-CD1 4.05Å; Y105-L112 HydrophobicContact CD1-CD2 4.05Å; Y105-L112 HydrophobicContact CE1-CD1 3.7Å; Y105-L112 HydrophobicContact CE1-CD2 3.5Å; Y105-L112 HydrophobicContact CE1-CG 4.26Å; N109-L112 HydrophobicContact CB-CD2 4.05Å; L112-S117 WeakPolarHBondContact CB-OG 3.45Å; L112-L120 HydrophobicContact CD1-CD1 3.87Å; L112-L208 HydrophobicContact CD1-CD2 3.56Å; L112-L208 PolarHBondContact N-O 3.38Å
113E96.8Very high96.7Very high155 Ų15558.2 Ų58.272%0.72428%0.282SS*.PPolyproline II helixtrans-64149.8170.7-65.6-173.7174.100110.8K115 E116 S117E113-K115 VanDerWaalsContact C-N 3.28Å; E113-K115 PolarHBondContact O-N 2.98Å; E113-E116 PolarHBondContact O-N 2.91Å; E113-E116 VanDerWaalsContact O-N 3.16Å; E113-S117 WeakPolarHBondContact O-CB 3.46Å; E113-S117 PolarHBondContact O-N 2.78Å; E113-S117 PolarHBondContact O-OG 2.83Å
114E96.4Very high96.8Very high62 Ų6254.3 Ų54.329%0.2927%0.265SS..Hα-helixtrans-57.8-41-176.1-172.9177.5149.500112.2S117 R118 N239 W268E114-S117 PolarHBondContact O-N 3.39Å; E114-R118 VanDerWaalsContact O-CB 3.31Å; E114-R118 WeakPolarHBondContact O-CB 3.34Å; E114-R118 PolarHBondContact O-N 3.34Å; E114-R118 IonicContact OE1-NH2 3.81Å; E114-R118 PolarHBondContact OE1-NH2 2.87Å; E114-R118 VanDerWaalsContact OE1-NH2 3.1Å; E114-N239 PolarHBondContact OE1-ND2 3.07Å; E114-W268 HydrophobicContact CG-CZ2 3.92Å; E114-W268 PolarHBondContact OE1-NE1 3.34Å
115K97.8Very high97Very high142 Ų14249.9 Ų49.962%0.61724%0.242SC*.Hα-helixtrans-62.8-43.8178.7-176.6175.6-178.2176.70112.2E113 R119E113-K115 VanDerWaalsContact C-N 3.28Å; E113-K115 PolarHBondContact O-N 2.98Å; K115-R119 PolarHBondContact O-N 2.92Å
116E97.9Very high97Very high45 Ų4547.2 Ų47.221%0.2123%0.232CC..Hα-helixtrans-72.3-41.1179.4179.162.1-179.500111.5E113 R118 R119 L120E113-E116 PolarHBondContact O-N 2.91Å; E113-E116 VanDerWaalsContact O-N 3.16Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 PolarHBondContact O-N 2.75Å; E116-R119 VanDerWaalsContact CD-NH2 3.31Å; E116-R119 PolarHBondContact O-N 2.96Å; E116-R119 IonicContact OE1-CZ 3.62Å; E116-R119 IonicContact OE1-NE 3.76Å; E116-R119 IonicContact OE1-NH2 2.93Å; E116-R119 PolarHBondContact OE1-NH2 2.83Å; E116-R119 IonicContact OE2-CZ 3.38Å; E116-R119 IonicContact OE2-NE 2.67Å; E116-R119 PolarHBondContact OE2-NE 3.3Å; E116-R119 IonicContact OE2-NH2 3.38Å; E116-R119 PolarHBondContact OE2-NH2 3.49Å; E116-L120 HydrophobicContact CG-CD1 4.4Å; E116-L120 PolarHBondContact O-N 3.06Å
117S98.3Very high97.1Very high0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-56.6-45.8172.8-55.90000110.9L112 E113 E114 F121L112-S117 WeakPolarHBondContact CB-OG 3.45Å; E113-S117 WeakPolarHBondContact O-CB 3.46Å; E113-S117 PolarHBondContact O-N 2.78Å; E113-S117 PolarHBondContact O-OG 2.83Å; E114-S117 PolarHBondContact O-N 3.39Å; S117-F121 WeakPolarHBondContact O-CB 3.17Å; S117-F121 PolarHBondContact O-N 2.91Å
118R98.7Very high97.2Very high10 Ų1042.7 Ų42.74%0.03820%0.202CC..Hα-helixtrans-61.1-48.8176.3-171.5-173.1-60.5120.74.5111.6E114 E116 L120 F121 Q122 W268 Q271E114-R118 VanDerWaalsContact O-CB 3.31Å; E114-R118 WeakPolarHBondContact O-CB 3.34Å; E114-R118 PolarHBondContact O-N 3.34Å; E114-R118 IonicContact OE1-NH2 3.81Å; E114-R118 PolarHBondContact OE1-NH2 2.87Å; E114-R118 VanDerWaalsContact OE1-NH2 3.1Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 PolarHBondContact O-N 2.75Å; R118-L120 PolarHBondContact O-N 3.04Å; R118-F121 PolarHBondContact O-N 3.03Å; R118-Q122 HydrophobicContact CG-CG 4.21Å; R118-Q122 WeakPolarHBondContact O-CB 3.36Å; R118-Q122 WeakPolarHBondContact O-CG 3.42Å; R118-Q122 PolarHBondContact O-N 3.28Å; R118-W268 VanDerWaalsContact CA-CH2 3.46Å; R118-W268 HydrophobicContact CB-CH2 3.55Å; R118-W268 HydrophobicContact CB-CZ2 3.7Å; R118-W268 HydrophobicContact CB-CZ3 4.15Å; R118-W268 VanDerWaalsContact CD-O 3.22Å; R118-W268 WeakPolarHBondContact CD-O 3.39Å; R118-W268 HydrophobicContact CG-CE3 4.31Å; R118-W268 HydrophobicContact CG-CH2 3.88Å; R118-W268 HydrophobicContact CG-CZ2 4.17Å; R118-W268 HydrophobicContact CG-CZ3 3.95Å; R118-W268 PolarHBondContact NE-O 2.84Å; R118-Q271 WeakPolarHBondContact CD-O 3.44Å; R118-Q271 VanDerWaalsContact NH1-CD 3.35Å
119R98.6Very high97.2Very high60 Ų6035.1 Ų35.123%0.22617%0.17CC..Hα-helixtrans-56.7-49.7179.8-173.2-171.367.777.2-1.7111.6K115 E116 Q123 M152K115-R119 PolarHBondContact O-N 2.92Å; E116-R119 VanDerWaalsContact CD-NH2 3.31Å; E116-R119 PolarHBondContact O-N 2.96Å; E116-R119 IonicContact OE1-CZ 3.62Å; E116-R119 IonicContact OE1-NE 3.76Å; E116-R119 IonicContact OE1-NH2 2.93Å; E116-R119 PolarHBondContact OE1-NH2 2.83Å; E116-R119 IonicContact OE2-CZ 3.38Å; E116-R119 IonicContact OE2-NE 2.67Å; E116-R119 PolarHBondContact OE2-NE 3.3Å; E116-R119 IonicContact OE2-NH2 3.38Å; E116-R119 PolarHBondContact OE2-NH2 3.49Å; R119-Q123 WeakPolarHBondContact O-CG 3.42Å; R119-Q123 PolarHBondContact O-N 2.85Å; R119-M152 PolarHBondContact NH1-O 3.39Å; R119-M152 VanDerWaalsContact NH1-O 3.08Å; R119-M152 PolarHBondContact NH2-O 3.47Å
120L98.8Very high97.2Very high0 Ų032.1 Ų32.10%015%0.152CC..Hα-helixtrans-63.7-43.1177.5-69.6172.8000111.5L102 L112 E116 R118 Q123 I124 L148 M152 A154 L208L102-L120 HydrophobicContact CD1-CD1 4.06Å; L112-L120 HydrophobicContact CD1-CD1 3.87Å; E116-L120 HydrophobicContact CG-CD1 4.4Å; E116-L120 PolarHBondContact O-N 3.06Å; R118-L120 PolarHBondContact O-N 3.04Å; L120-Q123 WeakPolarHBondContact O-CB 3.36Å; L120-Q123 PolarHBondContact O-N 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.34Å; L120-I124 PolarHBondContact O-N 2.8Å; L120-L148 HydrophobicContact CD2-CD2 3.83Å; L120-M152 VanDerWaalsContact CD2-O 3.32Å; L120-M152 WeakPolarHBondContact CD2-O 3.19Å; L120-A154 HydrophobicContact CD2-CB 4.21Å; L120-L208 HydrophobicContact CB-CD1 4.49Å; L120-L208 HydrophobicContact CD1-CD2 4.21Å
121F98.8Very high97.1Very high0 Ų030.7 Ų30.70%014%0.137CC..Hα-helixtrans-65.1-40.2-179.6-175.5-109.1000112.8S117 R118 Q123 I124 I125 S201 L205 L208 L245 M249 I263 W268 F269S117-F121 WeakPolarHBondContact O-CB 3.17Å; S117-F121 PolarHBondContact O-N 2.91Å; R118-F121 PolarHBondContact O-N 3.03Å; F121-Q123 VanDerWaalsContact C-N 3.3Å; F121-Q123 PolarHBondContact O-N 3.3Å; F121-I124 PolarHBondContact O-N 3.21Å; F121-I125 HydrophobicContact CD1-CG1 4.12Å; F121-I125 HydrophobicContact CD2-CG1 4.28Å; F121-I125 HydrophobicContact CE1-CD1 4.24Å; F121-I125 HydrophobicContact CE1-CG1 3.65Å; F121-I125 HydrophobicContact CE2-CD1 3.79Å; F121-I125 HydrophobicContact CE2-CG1 3.81Å; F121-I125 HydrophobicContact CG-CG1 4.42Å; F121-I125 HydrophobicContact CZ-CD1 3.57Å; F121-I125 HydrophobicContact CZ-CG1 3.47Å; F121-I125 VanDerWaalsContact CZ-CG1 3.47Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 2.82Å; F121-S201 WeakPolarHBondContact CE2-O 3.17Å; F121-L205 HydrophobicContact CB-CD1 4.06Å; F121-L205 HydrophobicContact CD1-CD1 4.16Å; F121-L205 HydrophobicContact CD1-CD2 4.19Å; F121-L205 HydrophobicContact CD2-CB 3.78Å; F121-L205 HydrophobicContact CD2-CD1 4.04Å; F121-L205 HydrophobicContact CD2-CD2 4.47Å; F121-L205 HydrophobicContact CD2-CG 4.3Å; F121-L205 HydrophobicContact CE1-CD2 3.91Å; F121-L205 HydrophobicContact CE2-CB 3.7Å; F121-L205 HydrophobicContact CE2-CD2 4.22Å; F121-L205 HydrophobicContact CE2-CG 4.38Å; F121-L205 HydrophobicContact CG-CB 4.4Å; F121-L205 HydrophobicContact CG-CD1 3.81Å; F121-L205 HydrophobicContact CG-CD2 4.45Å; F121-L205 HydrophobicContact CG-CG 4.44Å; F121-L205 HydrophobicContact CZ-CB 4.24Å; F121-L205 HydrophobicContact CZ-CD2 3.93Å; F121-L208 HydrophobicContact CB-CD1 4.46Å; F121-L245 HydrophobicContact CE1-CD2 4.37Å; F121-M249 HydrophobicContact CE1-SD 4.39Å; F121-M249 HydrophobicContact CE2-CE 4.1Å; F121-M249 HydrophobicContact CZ-CE 3.57Å; F121-M249 HydrophobicContact CZ-SD 3.67Å; F121-I263 HydrophobicContact CE1-CG2 4.29Å; F121-W268 AromaticContact CD1-CZ3 3.98Å; F121-W268 HydrophobicContact CD1-CZ3 3.98Å; F121-F269 AromaticContact CD1-CD2 3.88Å; F121-F269 HydrophobicContact CD1-CD2 3.88Å; F121-F269 AromaticContact CD1-CE2 3.9Å; F121-F269 HydrophobicContact CD1-CE2 3.9Å; F121-F269 AromaticContact CE1-CD2 3.87Å; F121-F269 HydrophobicContact CE1-CD2 3.87Å; F121-F269 AromaticContact CE1-CE2 3.98Å; F121-F269 HydrophobicContact CE1-CE2 3.98Å
122Q98.8Very high97.1Very high4 Ų426.8 Ų26.82%0.01912%0.121CC..Hα-helixtrans-58.5-42.3173.4-71.8167.9-15.800111.6R118 S126 F269 Q271 L273 L277R118-Q122 HydrophobicContact CG-CG 4.21Å; R118-Q122 WeakPolarHBondContact O-CB 3.36Å; R118-Q122 WeakPolarHBondContact O-CG 3.42Å; R118-Q122 PolarHBondContact O-N 3.28Å; Q122-S126 VanDerWaalsContact O-CB 3.24Å; Q122-S126 WeakPolarHBondContact O-CB 3.24Å; Q122-S126 PolarHBondContact O-N 3.31Å; Q122-F269 HydrophobicContact CB-CE2 4.23Å; Q122-F269 HydrophobicContact CB-CZ 4.14Å; Q122-F269 HydrophobicContact CG-CD2 4.18Å; Q122-F269 HydrophobicContact CG-CE1 4.33Å; Q122-F269 HydrophobicContact CG-CE2 3.79Å; Q122-F269 HydrophobicContact CG-CZ 3.88Å; Q122-F269 PolarHBondContact NE2-O 3.49Å; Q122-Q271 PolarHBondContact NE2-O 2.82Å; Q122-L273 HydrophobicContact CB-CD1 3.97Å; Q122-L273 HydrophobicContact CG-CD1 3.68Å; Q122-L277 HydrophobicContact CB-CD1 3.67Å
123Q98.7Very high96.6Very high4 Ų431.9 Ų31.92%0.01914%0.139CC..Hα-helixtrans-65-40.7176.7-67.7178.9-16.200112.3H76 R119 L120 F121 A127 N153 A154 L277H76-Q123 HydrophobicContact CB-CB 4.47Å; H76-Q123 VanDerWaalsContact CE1-CG 3.41Å; H76-Q123 WeakPolarHBondContact CE1-CG 3.27Å; H76-Q123 PolarHBondContact CE1-NE2 2.71Å; R119-Q123 WeakPolarHBondContact O-CG 3.42Å; R119-Q123 PolarHBondContact O-N 2.85Å; L120-Q123 WeakPolarHBondContact O-CB 3.36Å; L120-Q123 PolarHBondContact O-N 3.43Å; F121-Q123 VanDerWaalsContact C-N 3.3Å; F121-Q123 PolarHBondContact O-N 3.3Å; Q123-A127 PolarHBondContact O-N 2.82Å; Q123-A127 VanDerWaalsContact O-N 3.14Å; Q123-N153 PolarHBondContact NE2-OD1 3.47Å; Q123-A154 HydrophobicContact CB-CB 4.11Å; Q123-L277 HydrophobicContact CG-CD1 4.49Å; Q123-L277 HydrophobicContact CG-CD2 4.17Å
124I98.8Very high96Very high0 Ų027.8 Ų27.80%012%0.12CC..Hα-helixtrans-64.2-51.9176-67.2164.8000110.2L102 L120 F121 S126 A127 V128 V146 A154 I204L102-I124 HydrophobicContact CD2-CD1 4.18Å; L120-I124 WeakPolarHBondContact O-CG1 3.34Å; L120-I124 PolarHBondContact O-N 2.8Å; F121-I124 PolarHBondContact O-N 3.21Å; I124-S126 VanDerWaalsContact C-N 3.27Å; I124-S126 PolarHBondContact O-N 3.06Å; I124-A127 PolarHBondContact O-N 3.5Å; I124-A127 VanDerWaalsContact O-N 3.1Å; I124-V128 HydrophobicContact CG2-CG2 4.3Å; I124-V128 WeakPolarHBondContact O-CG2 3.18Å; I124-V128 PolarHBondContact O-N 3.01Å; I124-V146 HydrophobicContact CD1-CG1 4.16Å; I124-V146 HydrophobicContact CD1-CG2 4.39Å; I124-V146 HydrophobicContact CG1-CG1 4.19Å; I124-A154 HydrophobicContact CG1-CB 4Å; I124-I204 HydrophobicContact CD1-CG2 4.01Å
125I98.7Very high95.5Very high0 Ų028.1 Ų28.10%012%0.122CC..Hα-helixtrans-62-36.2-179.8-64.1-59.7000111.5F121 V128 D129 M249 I260 I263 F269 F278F121-I125 HydrophobicContact CD1-CG1 4.12Å; F121-I125 HydrophobicContact CD2-CG1 4.28Å; F121-I125 HydrophobicContact CE1-CD1 4.24Å; F121-I125 HydrophobicContact CE1-CG1 3.65Å; F121-I125 HydrophobicContact CE2-CD1 3.79Å; F121-I125 HydrophobicContact CE2-CG1 3.81Å; F121-I125 HydrophobicContact CG-CG1 4.42Å; F121-I125 HydrophobicContact CZ-CD1 3.57Å; F121-I125 HydrophobicContact CZ-CG1 3.47Å; F121-I125 VanDerWaalsContact CZ-CG1 3.47Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 2.82Å; I125-V128 PolarHBondContact O-N 3.47Å; I125-D129 VanDerWaalsContact O-CB 3.31Å; I125-D129 WeakPolarHBondContact O-CB 3.34Å; I125-D129 PolarHBondContact O-N 3.41Å; I125-M249 HydrophobicContact CD1-CE 4.42Å; I125-I260 HydrophobicContact CG2-CG2 4.36Å; I125-I263 HydrophobicContact CD1-CD1 4.49Å; I125-I263 HydrophobicContact CG1-CG2 4.46Å; I125-I263 HydrophobicContact CG2-CG2 4.3Å; I125-F269 HydrophobicContact CB-CE2 3.95Å; I125-F269 HydrophobicContact CB-CZ 4.03Å; I125-F269 HydrophobicContact CG1-CE2 3.99Å; I125-F269 HydrophobicContact CG2-CE2 4.22Å; I125-F269 HydrophobicContact CG2-CZ 4.03Å; I125-F278 HydrophobicContact CB-CZ 4.35Å; I125-F278 HydrophobicContact CG2-CE1 4.35Å; I125-F278 HydrophobicContact CG2-CZ 3.89Å
126S98.1Very high95.1Very high2 Ų221.5 Ų21.51%0.0149%0.093CC..Hα-helixtrans-58.9-45.8173.1172.40000112.3H74 Q122 I124 Y130 L277H74-S126 PolarHBondContact CE1-OG 3.45Å; H74-S126 VanDerWaalsContact CE1-OG 3.26Å; H74-S126 PolarHBondContact NE2-OG 3.25Å; H74-S126 VanDerWaalsContact NE2-OG 3.08Å; Q122-S126 VanDerWaalsContact O-CB 3.24Å; Q122-S126 WeakPolarHBondContact O-CB 3.24Å; Q122-S126 PolarHBondContact O-N 3.31Å; I124-S126 VanDerWaalsContact C-N 3.27Å; I124-S126 PolarHBondContact O-N 3.06Å; S126-Y130 WeakPolarHBondContact O-CB 3.04Å; S126-Y130 PolarHBondContact O-N 3.36Å; S126-L277 WeakPolarHBondContact CB-O 3.43Å; S126-L277 PolarHBondContact OG-O 2.97Å
127A96.9Very high94.9Very high0 Ų019.3 Ų19.30%08%0.083CC..Hα-helixtrans-67.2-38.1175.400000113.3H74 H76 I77 Q123 I124 Y130 C131 I156H74-A127 PolarHBondContact CE1-N 3.28Å; H76-A127 HydrophobicContact CB-CB 3.97Å; H76-A127 WeakPolarHBondContact O-CB 3.32Å; I77-A127 HydrophobicContact CD1-CB 4.27Å; I77-A127 HydrophobicContact CG1-CB 3.7Å; Q123-A127 PolarHBondContact O-N 2.82Å; Q123-A127 VanDerWaalsContact O-N 3.14Å; I124-A127 PolarHBondContact O-N 3.5Å; I124-A127 VanDerWaalsContact O-N 3.1Å; A127-Y130 WeakPolarHBondContact O-CB 3.26Å; A127-Y130 PolarHBondContact O-N 3.07Å; A127-C131 PolarHBondContact O-N 3.09Å; A127-C131 PolarHBondContact O-SG 2.8Å; A127-I156 HydrophobicContact CB-CD1 3.47Å; A127-I156 VanDerWaalsContact CB-CD1 3.47Å; A127-I156 HydrophobicContact CB-CG1 3.94Å
128V97.8Very high94.7Very high2 Ų219.5 Ų19.51%0.0128%0.084CC..Hα-helixtrans-66.7-44.8177.4176.40000111I124 I125 Y130 C131 H132 L141 I156 D197 I260I124-V128 HydrophobicContact CG2-CG2 4.3Å; I124-V128 WeakPolarHBondContact O-CG2 3.18Å; I124-V128 PolarHBondContact O-N 3.01Å; I125-V128 PolarHBondContact O-N 3.47Å; V128-Y130 VanDerWaalsContact C-N 3.3Å; V128-Y130 PolarHBondContact O-N 3.11Å; V128-C131 WeakPolarHBondContact O-CB 3.46Å; V128-C131 PolarHBondContact O-N 2.82Å; V128-C131 VanDerWaalsContact O-N 3.1Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.43Å; V128-H132 PolarHBondContact O-CD2 3.45Å; V128-H132 PolarHBondContact O-N 2.82Å; V128-L141 HydrophobicContact CG1-CD1 4.44Å; V128-L141 HydrophobicContact CG2-CD1 3.6Å; V128-L141 HydrophobicContact CG2-CD2 4.39Å; V128-I156 HydrophobicContact CG2-CD1 3.77Å; V128-D197 HydrophobicContact CG1-CB 4.1Å; V128-I260 HydrophobicContact CG1-CD1 4.14Å
129D96.1Very high94.5Very high17 Ų1720 Ų209%0.0919%0.086CC..Hα-helixtrans-55.9-46.4173.2-177.834000111.1I125 C131 H132 R133 I260 F278I125-D129 VanDerWaalsContact O-CB 3.31Å; I125-D129 WeakPolarHBondContact O-CB 3.34Å; I125-D129 PolarHBondContact O-N 3.41Å; D129-C131 VanDerWaalsContact C-N 3.33Å; D129-C131 PolarHBondContact O-N 3.25Å; D129-H132 PolarHBondContact O-N 2.9Å; D129-R133 VanDerWaalsContact CG-NE 3.34Å; D129-R133 VanDerWaalsContact O-CG 3.3Å; D129-R133 WeakPolarHBondContact O-CG 3.47Å; D129-R133 PolarHBondContact O-N 3.04Å; D129-R133 IonicContact OD1-CZ 3.82Å; D129-R133 IonicContact OD1-NE 3.62Å; D129-R133 PolarHBondContact OD1-NE 3.18Å; D129-R133 IonicContact OD1-NH2 3.76Å; D129-R133 IonicContact OD2-CZ 2.77Å; D129-R133 IonicContact OD2-NE 3.47Å; D129-R133 PolarHBondContact OD2-NE 3.49Å; D129-R133 VanDerWaalsContact OD2-NE 3.14Å; D129-R133 IonicContact OD2-NH2 3.25Å; D129-R133 PolarHBondContact OD2-NH2 3.28Å; D129-I260 VanDerWaalsContact CA-CD1 3.44Å; D129-I260 HydrophobicContact CB-CD1 3.82Å; D129-I260 HydrophobicContact CB-CG2 3.82Å; D129-F278 HydrophobicContact CB-CE1 3.99Å; D129-F278 WeakPolarHBondContact OD2-CD1 3.49Å
130Y92.4Very high94.3Very high21 Ų2118 Ų188%0.0828%0.08CC..Hα-helixtrans-57.3-45.3175.4-175.2-82.4000112F72 R73 H74 I77 S126 A127 V128 H134 M288F72-Y130 HydrophobicContact CB-CE1 4.34Å; F72-Y130 AromaticContact CD1-CE1 3.8Å; F72-Y130 HydrophobicContact CD1-CE1 3.8Å; F72-Y130 HydrophobicContact CE1-CE1 4.33Å; F72-Y130 HydrophobicContact CG-CE1 4.17Å; R73-Y130 PolarHBondContact N-OH 2.65Å; H74-Y130 HydrophobicContact CB-CD1 4.11Å; H74-Y130 HydrophobicContact CB-CD2 4.2Å; H74-Y130 HydrophobicContact CB-CE1 4.34Å; H74-Y130 HydrophobicContact CB-CE2 4.35Å; H74-Y130 HydrophobicContact CB-CG 4.05Å; H74-Y130 AromaticContact CD2-CD2 3.57Å; H74-Y130 AromaticContact CD2-CG 3.73Å; I77-Y130 HydrophobicContact CD1-CD1 3.72Å; I77-Y130 HydrophobicContact CD1-CE1 4.42Å; I77-Y130 HydrophobicContact CD1-CG 4.4Å; S126-Y130 WeakPolarHBondContact O-CB 3.04Å; S126-Y130 PolarHBondContact O-N 3.36Å; A127-Y130 WeakPolarHBondContact O-CB 3.26Å; A127-Y130 PolarHBondContact O-N 3.07Å; V128-Y130 VanDerWaalsContact C-N 3.3Å; V128-Y130 PolarHBondContact O-N 3.11Å; Y130-H134 AromaticContact CD1-CE1 3.98Å; Y130-H134 AromaticContact CD1-ND1 3.82Å; Y130-H134 AromaticContact CD2-CE1 3.97Å; Y130-H134 AromaticContact CE1-CE1 3.46Å; Y130-H134 VanDerWaalsContact CE1-CE1 3.46Å; Y130-H134 WeakPolarHBondContact CE1-CE1 3.45Å; Y130-H134 AromaticContact CE1-ND1 3.6Å; Y130-H134 AromaticContact CE1-NE2 4Å; Y130-H134 AromaticContact CE2-CE1 3.51Å; Y130-H134 AromaticContact CZ-CE1 3.2Å; Y130-H134 AromaticContact CZ-ND1 3.85Å; Y130-H134 AromaticContact CZ-NE2 3.65Å; Y130-H134 PolarHBondContact O-N 3.3Å; Y130-H134 PolarHBondContact O-ND1 3.21Å; Y130-H134 PolarHBondContact OH-CE1 3.24Å; Y130-H134 PolarHBondContact OH-NE2 2.93Å; Y130-M288 HydrophobicContact CE2-CE 3.64Å; Y130-M288 HydrophobicContact CE2-SD 3.96Å; Y130-M288 WeakPolarHBondContact OH-CE 3.46Å
131C91.8Very high94.3Very high2 Ų218 Ų181%0.0148%0.08CC..Hα-helixtrans-61.1-47177.1-64.40000111.5A127 V128 D129 R133 H134 M135 V136A127-C131 PolarHBondContact O-N 3.09Å; A127-C131 PolarHBondContact O-SG 2.8Å; V128-C131 WeakPolarHBondContact O-CB 3.46Å; V128-C131 PolarHBondContact O-N 2.82Å; V128-C131 VanDerWaalsContact O-N 3.1Å; D129-C131 VanDerWaalsContact C-N 3.33Å; D129-C131 PolarHBondContact O-N 3.25Å; C131-R133 PolarHBondContact O-N 3.32Å; C131-H134 CarbonylContact O-C 3.6Å; C131-H134 PolarHBondContact O-N 3.31Å; C131-H134 VanDerWaalsContact O-N 3.07Å; C131-M135 PolarHBondContact O-N 2.67Å; C131-V136 CarbonylContact C-O 3.37Å; C131-V136 WeakPolarHBondContact CB-O 3.44Å; C131-V136 PolarHBondContact O-N 3.16Å; C131-V136 VanDerWaalsContact O-O 3.07Å
132H92.4Very high94.2Very high20 Ų2019.5 Ų19.59%0.0939%0.086CC..Hα-helixtrans-64.5-38.5-177.3-66.9179.7000112.2V128 D129 H134 M135 V136 M165 P194 D197 I260V128-H132 WeakPolarHBondContact CG1-CE1 3.43Å; V128-H132 PolarHBondContact O-CD2 3.45Å; V128-H132 PolarHBondContact O-N 2.82Å; D129-H132 PolarHBondContact O-N 2.9Å; H132-H134 PolarHBondContact O-N 3Å; H132-M135 PolarHBondContact O-N 3.18Å; H132-V136 PolarHBondContact CD2-O 2.85Å; H132-V136 PolarHBondContact N-O 3.33Å; H132-M165 WeakPolarHBondContact O-CE 3.31Å; H132-P194 VanDerWaalsContact CE1-CA 3.43Å; H132-P194 WeakPolarHBondContact CE1-CA 3.42Å; H132-P194 PolarHBondContact CE1-O 3.41Å; H132-D197 IonicContact CD2-OD2 2.91Å; H132-D197 IonicContact CE1-OD2 3.41Å; H132-D197 IonicContact NE2-OD2 3.8Å; H132-D197 PolarHBondContact NE2-OD2 3.41Å; H132-I260 WeakPolarHBondContact ND1-CD1 3.31Å
133R86.5Confident94.1Very high123 Ų12319.3 Ų19.346%0.4649%0.086SC..Hα-helixtrans-62.8-27.1173.6-69.6176.3-168.8-1636.5113.5D129 C131 M135D129-R133 VanDerWaalsContact CG-NE 3.34Å; D129-R133 VanDerWaalsContact O-CG 3.3Å; D129-R133 WeakPolarHBondContact O-CG 3.47Å; D129-R133 PolarHBondContact O-N 3.04Å; D129-R133 IonicContact OD1-CZ 3.82Å; D129-R133 IonicContact OD1-NE 3.62Å; D129-R133 PolarHBondContact OD1-NE 3.18Å; D129-R133 IonicContact OD1-NH2 3.76Å; D129-R133 IonicContact OD2-CZ 2.77Å; D129-R133 IonicContact OD2-NE 3.47Å; D129-R133 PolarHBondContact OD2-NE 3.49Å; D129-R133 VanDerWaalsContact OD2-NE 3.14Å; D129-R133 IonicContact OD2-NH2 3.25Å; D129-R133 PolarHBondContact OD2-NH2 3.28Å; C131-R133 PolarHBondContact O-N 3.32Å; R133-M135 VanDerWaalsContact C-N 3.27Å
134H83.7Confident94Very high70 Ų7021.4 Ų21.432%0.32410%0.095SC..THydrogen-bonded Turntrans-9319174.5-66.675.6000112.3F72 Y130 C131 H132 V136F72-H134 HydrophobicContact CE1-CB 3.82Å; Y130-H134 AromaticContact CD1-CE1 3.98Å; Y130-H134 AromaticContact CD1-ND1 3.82Å; Y130-H134 AromaticContact CD2-CE1 3.97Å; Y130-H134 AromaticContact CE1-CE1 3.46Å; Y130-H134 VanDerWaalsContact CE1-CE1 3.46Å; Y130-H134 WeakPolarHBondContact CE1-CE1 3.45Å; Y130-H134 AromaticContact CE1-ND1 3.6Å; Y130-H134 AromaticContact CE1-NE2 4Å; Y130-H134 AromaticContact CE2-CE1 3.51Å; Y130-H134 AromaticContact CZ-CE1 3.2Å; Y130-H134 AromaticContact CZ-ND1 3.85Å; Y130-H134 AromaticContact CZ-NE2 3.65Å; Y130-H134 PolarHBondContact O-N 3.3Å; Y130-H134 PolarHBondContact O-ND1 3.21Å; Y130-H134 PolarHBondContact OH-CE1 3.24Å; Y130-H134 PolarHBondContact OH-NE2 2.93Å; C131-H134 CarbonylContact O-C 3.6Å; C131-H134 PolarHBondContact O-N 3.31Å; C131-H134 VanDerWaalsContact O-N 3.07Å; H132-H134 PolarHBondContact O-N 3Å; H134-V136 PolarHBondContact O-N 3.45Å
135M86Confident93.8Very high69 Ų6922.2 Ų22.234%0.3410%0.1SC..THydrogen-bonded Turntrans58.830-179.6-57.7-60.7-8100113.7C131 H132 R133 M164 M165 D167C131-M135 PolarHBondContact O-N 2.67Å; H132-M135 PolarHBondContact O-N 3.18Å; R133-M135 VanDerWaalsContact C-N 3.27Å; M135-M164 CarbonylContact O-C 3.53Å; M135-M164 VanDerWaalsContact O-CA 3.28Å; M135-M164 WeakPolarHBondContact O-CA 3.48Å; M135-M165 HydrophobicContact CB-CB 4.33Å; M135-M165 HydrophobicContact CB-CE 4.44Å; M135-M165 HydrophobicContact CE-CB 3.88Å; M135-M165 PolarHBondContact O-N 2.85Å; M135-M165 HydrophobicContact SD-CE 4Å; M135-D167 VanDerWaalsContact CE-OD1 3.31Å; M135-D167 WeakPolarHBondContact CE-OD1 3.38Å
136V88.8Confident93.8Very high2 Ų222.2 Ų22.21%0.01210%0.1CC..EExtended strand (participates in β ladder)trans-117.2129.8178.4177.60000110.7N68 F72 C131 H132 H134 F159 N163N68-V136 HydrophobicContact CB-CG2 4.29Å; F72-V136 HydrophobicContact CE1-CG2 4.25Å; F72-V136 HydrophobicContact CE2-CG1 4.37Å; F72-V136 HydrophobicContact CZ-CB 3.77Å; F72-V136 HydrophobicContact CZ-CG1 3.96Å; F72-V136 HydrophobicContact CZ-CG2 3.72Å; C131-V136 CarbonylContact C-O 3.37Å; C131-V136 WeakPolarHBondContact CB-O 3.44Å; C131-V136 PolarHBondContact O-N 3.16Å; C131-V136 VanDerWaalsContact O-O 3.07Å; H132-V136 PolarHBondContact CD2-O 2.85Å; H132-V136 PolarHBondContact N-O 3.33Å; H134-V136 PolarHBondContact O-N 3.45Å; V136-F159 HydrophobicContact CG1-CD1 4.46Å; V136-N163 WeakPolarHBondContact CA-O 3.49Å
137V94.1Very high93.8Very high0 Ų024 Ų240%011%0.109CC..EExtended strand (participates in β ladder)trans-109.7136.1172.2-67.20000110.1R139 S162 N163 M165 L171 P194V137-R139 HydrophobicContact CB-CG 4.17Å; V137-R139 HydrophobicContact CG2-CG 3.82Å; V137-S162 CarbonylContact O-C 3.55Å; V137-S162 WeakPolarHBondContact O-CA 3.1Å; V137-S162 VanDerWaalsContact O-CB 3.28Å; V137-S162 WeakPolarHBondContact O-CB 3.16Å; V137-N163 HydrophobicContact CG2-CB 4.25Å; V137-N163 PolarHBondContact N-O 3.22Å; V137-N163 PolarHBondContact O-N 3.28Å; V137-M165 HydrophobicContact CG1-CE 4.08Å; V137-M165 HydrophobicContact CG1-CG 3.73Å; V137-M165 HydrophobicContact CG1-SD 3.38Å; V137-M165 WeakPolarHBondContact CG1-SD 3.38Å; V137-M165 HydrophobicContact CG2-CG 4.29Å; V137-L171 HydrophobicContact CG2-CD1 3.66Å; V137-P194 HydrophobicContact CG1-CG 4.34Å
138H95.1Very high93.8Very high3 Ų324 Ų241%0.01411%0.109CC..  trans-78.4-48.6-172.2-171.6-83.9000111.7D140 L141 A157 D158 F159 L161 S162 D197H138-D140 PolarHBondContact CE1-O 3.03Å; H138-D140 VanDerWaalsContact CE1-O 3.28Å; H138-D140 PolarHBondContact ND1-N 3.06Å; H138-D140 PolarHBondContact ND1-O 3.07Å; H138-D140 PolarHBondContact O-N 3.28Å; H138-D140 VanDerWaalsContact O-N 3.12Å; H138-L141 HydrophobicContact CB-CD1 4.37Å; H138-L141 HydrophobicContact CB-CD2 3.93Å; H138-L141 HydrophobicContact CB-CG 3.84Å; H138-L141 PolarHBondContact ND1-N 3.47Å; H138-A157 PolarHBondContact NE2-O 2.9Å; H138-A157 VanDerWaalsContact NE2-O 3.09Å; H138-D158 PolarHBondContact CE1-O 3.22Å; H138-D158 PolarHBondContact NE2-O 3.38Å; H138-F159 AromaticContact CD2-CD1 3.76Å; H138-F159 AromaticContact CD2-CE1 3.64Å; H138-F159 AromaticContact CD2-CZ 3.91Å; H138-L161 CarbonylContact O-C 3.59Å; H138-S162 WeakPolarHBondContact O-CA 3.47Å; H138-S162 PolarHBondContact O-N 2.99Å; H138-D197 PolarHBondContact N-OD2 3.21Å
139R94.4Very high93.5Very high21 Ų2125.2 Ų25.28%0.07912%0.115CC..SBendtrans64.21.9176.4-50.4-171-61170.1-1.1117.4V137 L161 Y191 V196 D197V137-R139 HydrophobicContact CB-CG 4.17Å; V137-R139 HydrophobicContact CG2-CG 3.82Å; R139-L161 VanDerWaalsContact CZ-O 3.26Å; R139-L161 PolarHBondContact NE-O 3.33Å; R139-L161 PolarHBondContact NH2-O 3.14Å; R139-Y191 PolarHBondContact NH1-OH 2.78Å; R139-Y191 VanDerWaalsContact NH1-OH 3.16Å; R139-V196 HydrophobicContact CG-CG2 4.36Å; R139-D197 WeakPolarHBondContact CA-OD1 3.4Å; R139-D197 PolarHBondContact N-OD1 3.05Å
140D94.3Very high93.3Very high18 Ų1827.9 Ų27.910%0.09614%0.139CC..  trans-138.842.7171-163.636.4000111.2H138 K142 N145 L161 G176 S177H138-D140 PolarHBondContact CE1-O 3.03Å; H138-D140 VanDerWaalsContact CE1-O 3.28Å; H138-D140 PolarHBondContact ND1-N 3.06Å; H138-D140 PolarHBondContact ND1-O 3.07Å; H138-D140 PolarHBondContact O-N 3.28Å; H138-D140 VanDerWaalsContact O-N 3.12Å; D140-K142 PolarHBondContact O-N 3.37Å; D140-N145 PolarHBondContact O-ND2 2.99Å; D140-N145 PolarHBondContact OD2-ND2 3.35Å; D140-L161 HydrophobicContact CB-CB 4.14Å; D140-L161 HydrophobicContact CB-CD1 3.85Å; D140-L161 HydrophobicContact CB-CG 4.44Å; D140-G176 VanDerWaalsContact OD1-CA 3.25Å; D140-G176 WeakPolarHBondContact OD1-CA 3.37Å; D140-S177 PolarHBondContact OD1-N 3.26Å
141L97.9Very high93.2Very high1 Ų134 Ų341%0.00517%0.168CC..  trans-71.9121.8175.2-69.7172.9000109.5V128 H138 I156 D197 I204V128-L141 HydrophobicContact CG1-CD1 4.44Å; V128-L141 HydrophobicContact CG2-CD1 3.6Å; V128-L141 HydrophobicContact CG2-CD2 4.39Å; H138-L141 HydrophobicContact CB-CD1 4.37Å; H138-L141 HydrophobicContact CB-CD2 3.93Å; H138-L141 HydrophobicContact CB-CG 3.84Å; H138-L141 PolarHBondContact ND1-N 3.47Å; L141-I156 HydrophobicContact CD2-CD1 3.93Å; L141-I156 HydrophobicContact CD2-CG2 4.05Å; L141-D197 HydrophobicContact CD1-CB 3.71Å; L141-I204 HydrophobicContact CB-CD1 4.15Å
142K97.1Very high93.4Very high30 Ų3036.3 Ų36.313%0.1318%0.18CC..SBendtrans-161.2160.7177.760.7-173.6-170.1144.40109.9D140 E144 N145 V146 S177 Y180D140-K142 PolarHBondContact O-N 3.37Å; K142-E144 WeakPolarHBondContact CB-OE2 3.11Å; K142-E144 WeakPolarHBondContact CD-OE1 3.46Å; K142-E144 WeakPolarHBondContact CD-OE2 3.49Å; K142-E144 HydrophobicContact CG-CB 4.31Å; K142-E144 VanDerWaalsContact CG-OE2 3.32Å; K142-E144 WeakPolarHBondContact CG-OE2 3.4Å; K142-E144 IonicContact NZ-OE1 3.03Å; K142-E144 PolarHBondContact NZ-OE1 3.46Å; K142-E144 PolarHBondContact O-N 2.86Å; K142-E144 VanDerWaalsContact O-N 3.15Å; K142-N145 HydrophobicContact CG-CB 4.13Å; K142-N145 CarbonylContact O-C 3.48Å; K142-N145 PolarHBondContact O-N 3.4Å; K142-V146 PolarHBondContact O-N 3.2Å; K142-S177 WeakPolarHBondContact CD-OG 3.42Å; K142-S177 PolarHBondContact NZ-OG 2.97Å; K142-S177 VanDerWaalsContact NZ-OG 3.13Å; K142-Y180 HydrophobicContact CB-CD1 4.04Å; K142-Y180 HydrophobicContact CB-CD2 3.7Å; K142-Y180 HydrophobicContact CB-CE1 4.13Å; K142-Y180 HydrophobicContact CB-CE2 3.75Å; K142-Y180 HydrophobicContact CB-CG 3.85Å; K142-Y180 HydrophobicContact CD-CD2 4.45Å
143P97.4Very high93.6Very high1 Ų137.2 Ų37.21%0.00619%0.185CC..G310 helixtrans-56.3-28.2-178.9-2636.8000114.5L102 F103 I106 N145 V146 Y180 I204L102-P143 HydrophobicContact CB-CB 4.34Å; L102-P143 WeakPolarHBondContact CB-O 3.44Å; L102-P143 HydrophobicContact CG-CB 4.33Å; L102-P143 PolarHBondContact N-O 3.23Å; F103-P143 HydrophobicContact CB-CB 3.87Å; F103-P143 HydrophobicContact CD2-CB 4.4Å; F103-P143 PolarHBondContact N-O 3.43Å; I106-P143 HydrophobicContact CD1-CB 4.35Å; I106-P143 HydrophobicContact CD1-CG 4.41Å; P143-N145 VanDerWaalsContact C-N 3.3Å; P143-N145 PolarHBondContact O-N 3.02Å; P143-V146 PolarHBondContact O-N 2.88Å; P143-V146 VanDerWaalsContact O-O 3.04Å; P143-Y180 WeakPolarHBondContact CD-OH 3.5Å; P143-Y180 HydrophobicContact CG-CE1 4.14Å; P143-I204 HydrophobicContact CG-CG1 4.31Å
144E95.1Very high94.1Very high47 Ų4731.5 Ų31.522%0.2216%0.164CC..G310 helixtrans-68.8-29.3175.1-51.496.610500112.3F103 K142F103-E144 HydrophobicContact CB-CG 3.98Å; F103-E144 HydrophobicContact CD2-CG 4.32Å; F103-E144 HydrophobicContact CG-CG 4.1Å; K142-E144 WeakPolarHBondContact CB-OE2 3.11Å; K142-E144 WeakPolarHBondContact CD-OE1 3.46Å; K142-E144 WeakPolarHBondContact CD-OE2 3.49Å; K142-E144 HydrophobicContact CG-CB 4.31Å; K142-E144 VanDerWaalsContact CG-OE2 3.32Å; K142-E144 WeakPolarHBondContact CG-OE2 3.4Å; K142-E144 IonicContact NZ-OE1 3.03Å; K142-E144 PolarHBondContact NZ-OE1 3.46Å; K142-E144 PolarHBondContact O-N 2.86Å; K142-E144 VanDerWaalsContact O-N 3.15Å
145N96.3Very high94.8Very high18 Ų1828.7 Ų28.710%0.09615%0.151CC..G310 helixtrans-94.96.1178.2-70.1-17.9000112.5D140 K142 P143 A157D140-N145 PolarHBondContact O-ND2 2.99Å; D140-N145 PolarHBondContact OD2-ND2 3.35Å; K142-N145 HydrophobicContact CG-CB 4.13Å; K142-N145 CarbonylContact O-C 3.48Å; K142-N145 PolarHBondContact O-N 3.4Å; P143-N145 VanDerWaalsContact C-N 3.3Å; P143-N145 PolarHBondContact O-N 3.02Å; N145-A157 PolarHBondContact O-N 2.94Å
146V98Very high95.3Very high0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-111.4113.7170.4-179.10000107.8L102 I124 K142 P143 A154L102-V146 HydrophobicContact CB-CB 4.03Å; L102-V146 HydrophobicContact CB-CG1 4.16Å; L102-V146 WeakPolarHBondContact CB-O 3.27Å; L102-V146 HydrophobicContact CD2-CB 3.93Å; L102-V146 HydrophobicContact CD2-CG1 3.79Å; L102-V146 PolarHBondContact N-O 2.78Å; I124-V146 HydrophobicContact CD1-CG1 4.16Å; I124-V146 HydrophobicContact CD1-CG2 4.39Å; I124-V146 HydrophobicContact CG1-CG1 4.19Å; K142-V146 PolarHBondContact O-N 3.2Å; P143-V146 PolarHBondContact O-N 2.88Å; P143-V146 VanDerWaalsContact O-O 3.04Å; V146-A154 HydrophobicContact CG1-CB 3.84Å
147L97.4Very high95.5Very high40 Ų4026.1 Ų26.121%0.20914%0.14CC..EExtended strand (participates in β ladder)trans-97.5159.8179.9-54.5-178.8000111.2I78 V97 G100 E101 A154 K155 A157I78-L147 HydrophobicContact CD1-CD1 4.23Å; I78-L147 HydrophobicContact CG1-CD1 4.38Å; V97-L147 HydrophobicContact CG2-CB 3.45Å; V97-L147 VanDerWaalsContact CG2-CB 3.45Å; V97-L147 HydrophobicContact CG2-CD1 3.73Å; V97-L147 HydrophobicContact CG2-CG 4.24Å; G100-L147 CarbonylContact O-C 3.49Å; G100-L147 VanDerWaalsContact O-CA 3.27Å; G100-L147 WeakPolarHBondContact O-CA 3.37Å; E101-L147 HydrophobicContact CB-CD2 4.45Å; E101-L147 HydrophobicContact CG-CD2 3.82Å; L147-A154 CarbonylContact O-C 3.47Å; L147-A154 WeakPolarHBondContact O-CA 3.41Å; L147-K155 PolarHBondContact N-O 3.03Å; L147-K155 PolarHBondContact O-N 2.95Å; L147-A157 HydrophobicContact CD1-CB 3.85Å; L147-A157 HydrophobicContact CG-CB 3.95Å
148L97.5Very high95.2Very high0 Ų028.8 Ų28.80%016%0.155CC..EExtended strand (participates in β ladder)trans-116.1136.5178.3-62.8169.7000110.6V97 G99 G100 L102 Y105 L120 M152 N153V97-L148 WeakPolarHBondContact CB-O 3.31Å; G99-L148 CarbonylContact C-O 3.59Å; G99-L148 WeakPolarHBondContact CA-O 3.48Å; G99-L148 PolarHBondContact N-O 3.38Å; G100-L148 PolarHBondContact O-N 2.77Å; L102-L148 HydrophobicContact CD1-CD1 4.08Å; L102-L148 HydrophobicContact CD1-CD2 4.36Å; Y105-L148 HydrophobicContact CD1-CD1 4.07Å; Y105-L148 HydrophobicContact CD2-CD1 4.36Å; Y105-L148 HydrophobicContact CG-CD1 3.78Å; L120-L148 HydrophobicContact CD2-CD2 3.83Å; L148-M152 HydrophobicContact CD1-CE 3.69Å; L148-N153 WeakPolarHBondContact CA-O 3.37Å
149D92.1Very high94.9Very high26 Ų2628.8 Ų28.814%0.13916%0.155CC..  trans-84179.8170.975.89.8000112.5V97 H151 M152 N153V97-D149 HydrophobicContact CB-CB 4.29Å; V97-D149 HydrophobicContact CG1-CB 3.86Å; D149-H151 PolarHBondContact O-N 3.24Å; D149-H151 VanDerWaalsContact O-N 3.12Å; D149-H151 VanDerWaalsContact OD1-C 3.22Å; D149-H151 VanDerWaalsContact OD1-CA 3.29Å; D149-H151 WeakPolarHBondContact OD1-CA 3.36Å; D149-H151 WeakPolarHBondContact OD1-CB 3.37Å; D149-H151 PolarHBondContact OD1-N 3.32Å; D149-M152 PolarHBondContact O-N 2.95Å; D149-M152 PolarHBondContact OD1-N 3.25Å; D149-N153 PolarHBondContact N-O 2.86Å; D149-N153 VanDerWaalsContact N-O 3.11Å; D149-N153 PolarHBondContact OD1-N 3.23Å; D149-N153 PolarHBondContact OD1-ND2 3.47Å; D149-N153 WeakPolarHBondContact OD2-CB 3.26Å; D149-N153 PolarHBondContact OD2-ND2 3Å
150A90.4Very high94.3Very high73 Ų7328.2 Ų28.260%0.60316%0.155SC*.THydrogen-bonded Turntrans-61.6-16.4178.300000114.3
151H91.3Very high93.7Very high149 Ų14929.9 Ų29.969%0.6916%0.164SC*.THydrogen-bonded Turntrans-106.414.8177.7-55.4-63.3000112.1D149 N153D149-H151 PolarHBondContact O-N 3.24Å; D149-H151 VanDerWaalsContact O-N 3.12Å; D149-H151 VanDerWaalsContact OD1-C 3.22Å; D149-H151 VanDerWaalsContact OD1-CA 3.29Å; D149-H151 WeakPolarHBondContact OD1-CA 3.36Å; D149-H151 WeakPolarHBondContact OD1-CB 3.37Å; D149-H151 PolarHBondContact OD1-N 3.32Å; H151-N153 VanDerWaalsContact C-N 3.26Å; H151-N153 PolarHBondContact O-N 3.21Å
152M95.6Very high93.1Very high51 Ų5130 Ų3025%0.25117%0.165SC..  trans61.628.9-179-55.6-59.7-6600113.6Y105 R119 L120 L148 D149Y105-M152 HydrophobicContact CD1-CE 4.13Å; Y105-M152 HydrophobicContact CD2-CE 3.5Å; Y105-M152 VanDerWaalsContact CD2-CE 3.5Å; Y105-M152 HydrophobicContact CE1-CE 3.81Å; Y105-M152 HydrophobicContact CE2-CE 3.15Å; Y105-M152 HydrophobicContact CG-CE 3.98Å; R119-M152 PolarHBondContact NH1-O 3.39Å; R119-M152 VanDerWaalsContact NH1-O 3.08Å; R119-M152 PolarHBondContact NH2-O 3.47Å; L120-M152 VanDerWaalsContact CD2-O 3.32Å; L120-M152 WeakPolarHBondContact CD2-O 3.19Å; L148-M152 HydrophobicContact CD1-CE 3.69Å; D149-M152 PolarHBondContact O-N 2.95Å; D149-M152 PolarHBondContact OD1-N 3.25Å
153N96.4Very high92.5Very high40 Ų4029.8 Ų29.821%0.21417%0.165CC..  trans-83.5135.5170.2-57.3-60.4000110.8Q123 L148 D149 H151Q123-N153 PolarHBondContact NE2-OD1 3.47Å; L148-N153 WeakPolarHBondContact CA-O 3.37Å; D149-N153 PolarHBondContact N-O 2.86Å; D149-N153 VanDerWaalsContact N-O 3.11Å; D149-N153 PolarHBondContact OD1-N 3.23Å; D149-N153 PolarHBondContact OD1-ND2 3.47Å; D149-N153 WeakPolarHBondContact OD2-CB 3.26Å; D149-N153 PolarHBondContact OD2-ND2 3Å; H151-N153 VanDerWaalsContact C-N 3.26Å; H151-N153 PolarHBondContact O-N 3.21Å
154A98.2Very high91.9Very high2 Ų234 Ų342%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-69.2139.4174.800000111.1H76 L120 Q123 I124 V146 L147H76-A154 WeakPolarHBondContact CA-O 3.31Å; H76-A154 VanDerWaalsContact CB-O 3.29Å; H76-A154 WeakPolarHBondContact CB-O 3.42Å; H76-A154 PolarHBondContact ND1-O 2.89Å; L120-A154 HydrophobicContact CD2-CB 4.21Å; Q123-A154 HydrophobicContact CB-CB 4.11Å; I124-A154 HydrophobicContact CG1-CB 4Å; V146-A154 HydrophobicContact CG1-CB 3.84Å; L147-A154 CarbonylContact O-C 3.47Å; L147-A154 WeakPolarHBondContact O-CA 3.41Å
155K96.9Very high91.4Very high11 Ų1133.1 Ų33.15%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-136.1121.6169.8-66.7-167.3-175.1-97.50110.9P75 H76 I78 E95 V97 L147P75-K155 PolarHBondContact O-NZ 3.23Å; H76-K155 CarbonylContact O-C 3.5Å; H76-K155 WeakPolarHBondContact O-CA 3.38Å; I78-K155 HydrophobicContact CD1-CB 3.83Å; I78-K155 HydrophobicContact CD1-CD 3.69Å; I78-K155 HydrophobicContact CD1-CG 4.45Å; I78-K155 HydrophobicContact CG1-CB 4.08Å; E95-K155 VanDerWaalsContact CD-CE 3.5Å; E95-K155 VanDerWaalsContact OE1-CE 3.24Å; E95-K155 WeakPolarHBondContact OE1-CE 3.44Å; E95-K155 IonicContact OE1-NZ 3.74Å; E95-K155 PolarHBondContact OE1-NZ 3.22Å; E95-K155 WeakPolarHBondContact OE2-CD 3.49Å; E95-K155 WeakPolarHBondContact OE2-CE 3.35Å; E95-K155 IonicContact OE2-NZ 2.82Å; E95-K155 PolarHBondContact OE2-NZ 3.38Å; V97-K155 HydrophobicContact CG1-CD 3.6Å; L147-K155 PolarHBondContact N-O 3.03Å; L147-K155 PolarHBondContact O-N 2.95Å
156I97.6Very high90.6Very high3 Ų334.3 Ų34.32%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-70.1132174.4-59.8-175.9000109.5H76 I78 A127 V128 L141 F159H76-I156 PolarHBondContact O-N 3.32Å; I78-I156 WeakPolarHBondContact CG1-O 3.44Å; I78-I156 PolarHBondContact N-O 3.45Å; A127-I156 HydrophobicContact CB-CD1 3.47Å; A127-I156 VanDerWaalsContact CB-CD1 3.47Å; A127-I156 HydrophobicContact CB-CG1 3.94Å; V128-I156 HydrophobicContact CG2-CD1 3.77Å; L141-I156 HydrophobicContact CD2-CD1 3.93Å; L141-I156 HydrophobicContact CD2-CG2 4.05Å; I156-F159 HydrophobicContact CG2-CE2 4.04Å; I156-F159 HydrophobicContact CG2-CZ 3.94Å
157A92.9Very high89.5Confident14 Ų1440.8 Ų40.812%0.11623%0.226CC..  trans-125.8171.8178.900000111.2I78 H138 N145 L147I78-A157 HydrophobicContact CG1-CB 3.87Å; H138-A157 PolarHBondContact NE2-O 2.9Å; H138-A157 VanDerWaalsContact NE2-O 3.09Å; N145-A157 PolarHBondContact O-N 2.94Å; L147-A157 HydrophobicContact CD1-CB 3.85Å; L147-A157 HydrophobicContact CG-CB 3.95Å
158D86.9Confident88.3Confident57 Ų5741.2 Ų41.231%0.30524%0.241SC..  trans54.178.2175-156.78.2000117.7K46 H138 G160K46-D158 IonicContact NZ-OD1 3.28Å; K46-D158 PolarHBondContact NZ-OD1 3.13Å; H138-D158 PolarHBondContact CE1-O 3.22Å; H138-D158 PolarHBondContact NE2-O 3.38Å; D158-G160 PolarHBondContact O-N 2.91Å; D158-G160 PolarHBondContact OD1-N 2.84Å
159F88.4Confident87.5Confident3 Ų345.6 Ų45.61%0.01326%0.261CS..G310 helixtrans-82.317.7174.8-72.1-101.5000113.5E65 L69 F72 I77 V136 H138 I156 L161 S162E65-F159 HydrophobicContact CG-CB 4.07Å; L69-F159 HydrophobicContact CD2-CD2 3.57Å; L69-F159 HydrophobicContact CD2-CE2 3.96Å; L69-F159 HydrophobicContact CD2-CG 4.1Å; L69-F159 HydrophobicContact CG-CB 4.42Å; L69-F159 HydrophobicContact CG-CD2 4.35Å; L69-F159 HydrophobicContact CG-CG 4.48Å; F72-F159 HydrophobicContact CD2-CE1 4.22Å; F72-F159 HydrophobicContact CD2-CZ 4.21Å; F72-F159 HydrophobicContact CE2-CD1 4.07Å; F72-F159 AromaticContact CE2-CE1 3.57Å; F72-F159 HydrophobicContact CE2-CE1 3.57Å; F72-F159 AromaticContact CE2-CZ 4Å; F72-F159 HydrophobicContact CE2-CZ 4Å; I77-F159 HydrophobicContact CG2-CE2 3.78Å; I77-F159 HydrophobicContact CG2-CZ 3.84Å; V136-F159 HydrophobicContact CG1-CD1 4.46Å; H138-F159 AromaticContact CD2-CD1 3.76Å; H138-F159 AromaticContact CD2-CE1 3.64Å; H138-F159 AromaticContact CD2-CZ 3.91Å; I156-F159 HydrophobicContact CG2-CE2 4.04Å; I156-F159 HydrophobicContact CG2-CZ 3.94Å; F159-L161 PolarHBondContact O-N 2.82Å; F159-S162 VanDerWaalsContact O-CB 3.23Å; F159-S162 WeakPolarHBondContact O-CB 3.36Å; F159-S162 PolarHBondContact O-N 3.21Å; F159-S162 PolarHBondContact O-OG 3.2Å
160G82.6Confident87.2Confident8 Ų850 Ų508%0.08228%0.279CS..G310 helixtrans-64.2-21.7-175.200000115.1D158D158-G160 PolarHBondContact O-N 2.91Å; D158-G160 PolarHBondContact OD1-N 2.84Å
161L81.3Confident87Confident53 Ų5347.3 Ų47.328%0.27726%0.255SS..G310 helixtrans-104.22.4173.9-62.7-176.2000113.5H138 R139 D140 F159 C175H138-L161 CarbonylContact O-C 3.59Å; R139-L161 VanDerWaalsContact CZ-O 3.26Å; R139-L161 PolarHBondContact NE-O 3.33Å; R139-L161 PolarHBondContact NH2-O 3.14Å; D140-L161 HydrophobicContact CB-CB 4.14Å; D140-L161 HydrophobicContact CB-CD1 3.85Å; D140-L161 HydrophobicContact CB-CG 4.44Å; F159-L161 PolarHBondContact O-N 2.82Å; L161-C175 HydrophobicContact CD1-CB 4.42Å
162S85.8Confident86.8Confident5 Ų548.6 Ų48.64%0.03525%0.254CS..  trans-64.3159.1-18070.20000112.9R64 V137 H138 F159R64-S162 PolarHBondContact NH2-O 3.36Å; V137-S162 CarbonylContact O-C 3.55Å; V137-S162 WeakPolarHBondContact O-CA 3.1Å; V137-S162 VanDerWaalsContact O-CB 3.28Å; V137-S162 WeakPolarHBondContact O-CB 3.16Å; H138-S162 WeakPolarHBondContact O-CA 3.47Å; H138-S162 PolarHBondContact O-N 2.99Å; F159-S162 VanDerWaalsContact O-CB 3.23Å; F159-S162 WeakPolarHBondContact O-CB 3.36Å; F159-S162 PolarHBondContact O-N 3.21Å; F159-S162 PolarHBondContact O-OG 3.2Å
163N85.2Confident86.2Confident24 Ų2449.8 Ų49.813%0.12826%0.264CS..EExtended strand (participates in β ladder)trans-140.2155.9171.6-150.45.8000111.8R64 V136 V137 L171R64-N163 PolarHBondContact NE-OD1 3.44Å; R64-N163 PolarHBondContact NH1-OD1 2.94Å; R64-N163 PolarHBondContact NH2-OD1 2.86Å; V136-N163 WeakPolarHBondContact CA-O 3.49Å; V137-N163 HydrophobicContact CG2-CB 4.25Å; V137-N163 PolarHBondContact N-O 3.22Å; V137-N163 PolarHBondContact O-N 3.28Å; N163-L171 HydrophobicContact CB-CD1 4.28Å; N163-L171 HydrophobicContact CB-CD2 4.5Å; N163-L171 WeakPolarHBondContact ND2-CD2 3.39Å
164M84.2Confident85.7Confident89 Ų8951.5 Ų51.544%0.43828%0.279SS..EExtended strand (participates in β ladder)trans-84.6136.1168.4-169.2173.9-77.500108.3M135M135-M164 CarbonylContact O-C 3.53Å; M135-M164 VanDerWaalsContact O-CA 3.28Å; M135-M164 WeakPolarHBondContact O-CA 3.48Å
165M84.6Confident85.1Confident29 Ų2952.5 Ų52.514%0.14329%0.285CS..  trans-82.2139170.6-60.7-174.1-70.400108.3H132 M135 V137 P194H132-M165 WeakPolarHBondContact O-CE 3.31Å; M135-M165 HydrophobicContact CB-CB 4.33Å; M135-M165 HydrophobicContact CB-CE 4.44Å; M135-M165 HydrophobicContact CE-CB 3.88Å; M135-M165 PolarHBondContact O-N 2.85Å; M135-M165 HydrophobicContact SD-CE 4Å; V137-M165 HydrophobicContact CG1-CE 4.08Å; V137-M165 HydrophobicContact CG1-CG 3.73Å; V137-M165 HydrophobicContact CG1-SD 3.38Å; V137-M165 WeakPolarHBondContact CG1-SD 3.38Å; V137-M165 HydrophobicContact CG2-CG 4.29Å; M165-P194 HydrophobicContact CE-CG 4.09Å; M165-P194 WeakPolarHBondContact SD-CD 3.45Å; M165-P194 HydrophobicContact SD-CG 3.49Å; M165-P194 WeakPolarHBondContact SD-CG 3.2Å
166S79.3Confident84.6Confident44 Ų4453.3 Ų53.331%0.30830%0.297SS..  trans-120.4138.7171.9-32.70000107.9G168 E169S166-G168 PolarHBondContact O-N 2.82Å; S166-G168 VanDerWaalsContact O-N 3.09Å; S166-E169 WeakPolarHBondContact CB-OE2 3.32Å; S166-E169 PolarHBondContact O-N 2.91Å; S166-E169 PolarHBondContact OG-OE2 2.88Å
167D74Confident84.3Confident135 Ų13554.4 Ų54.472%0.72231%0.305SS*.THydrogen-bonded Turntrans-60.5116.3-176.1-70-23.1000112M135 R467M135-D167 VanDerWaalsContact CE-OD1 3.31Å; M135-D167 WeakPolarHBondContact CE-OD1 3.38Å; D167-R467 PolarHBondContact O-NH2 3.48Å
168G73.4Confident84.2Confident50 Ų5056.5 Ų56.552%0.51532%0.317SS..THydrogen-bonded Turntrans81.93.9-177.200000115.3S166 R467S166-G168 PolarHBondContact O-N 2.82Å; S166-G168 VanDerWaalsContact O-N 3.09Å; G168-R467 WeakPolarHBondContact O-CD 3.49Å; G168-R467 PolarHBondContact O-NE 2.77Å; G168-R467 VanDerWaalsContact O-NE 3.15Å; G168-R467 PolarHBondContact O-NH1 3.1Å
169E79.8Confident84.6Confident92 Ų9255.3 Ų55.343%0.4331%0.311SS..PPolyproline II helixtrans-92.3136.9166.8-73-173.8165.300111.3S166 R467S166-E169 WeakPolarHBondContact CB-OE2 3.32Å; S166-E169 PolarHBondContact O-N 2.91Å; S166-E169 PolarHBondContact OG-OE2 2.88Å; E169-R467 IonicContact OE1-NH1 3.72Å
170F85.7Confident85.1Confident117 Ų11755.8 Ų55.851%0.51331%0.313SS..PPolyproline II helixtrans-101.3146.5169.2-65.3-83000111L190F170-L190 HydrophobicContact CB-CB 3.88Å; F170-L190 HydrophobicContact CB-CD1 4.43Å; F170-L190 HydrophobicContact CB-CD2 4.03Å; F170-L190 HydrophobicContact CB-CG 4.33Å; F170-L190 HydrophobicContact CG-CB 4.31Å
171L87.4Confident85.8Confident18 Ų1855.9 Ų55.99%0.09431%0.313CS..BIsolated β-bridgetrans-88146.5171.8-58.2-178000109.8V137 N163 L190 Y191V137-L171 HydrophobicContact CG2-CD1 3.66Å; N163-L171 HydrophobicContact CB-CD1 4.28Å; N163-L171 HydrophobicContact CB-CD2 4.5Å; N163-L171 WeakPolarHBondContact ND2-CD2 3.39Å; L171-L190 WeakPolarHBondContact O-CA 3.36Å; L171-Y191 HydrophobicContact CB-CD2 3.78Å; L171-Y191 HydrophobicContact CB-CE1 4.19Å; L171-Y191 HydrophobicContact CB-CE2 3.35Å; L171-Y191 HydrophobicContact CB-CG 4.36Å; L171-Y191 HydrophobicContact CD1-CD2 4.41Å; L171-Y191 HydrophobicContact CD1-CE2 3.77Å; L171-Y191 HydrophobicContact CG-CE2 4.17Å; L171-Y191 PolarHBondContact N-O 3.11Å; L171-Y191 WeakPolarHBondContact O-CD1 3.33Å; L171-Y191 PolarHBondContact O-N 3.47Å
172R86.1Confident86.6Confident176 Ų17653.4 Ų53.466%0.66430%0.3SS*.  trans-128.7-14.2178.3-159179.2166.6-169.5-3.9114S174 L190R172-S174 PolarHBondContact O-N 3.3Å; R172-L190 HydrophobicContact CB-CD2 3.58Å; R172-L190 HydrophobicContact CG-CD2 3.74Å
173T83.9Confident87.1Confident76 Ų7653.5 Ų53.547%0.46630%0.3SS..  trans-65.3116.3-172.3-48.40000109.5C175 Y191T173-C175 HydrophobicContact CG2-CB 4.35Å; T173-C175 PolarHBondContact O-N 3.11Å; T173-Y191 PolarHBondContact O-OH 3.07Å
174S85.6Confident87.6Confident75 Ų7552.9 Ų52.952%0.52430%0.297SS..  trans-70.9110.8166.1-58.10000108.3R172 V185R172-S174 PolarHBondContact O-N 3.3Å; S174-V185 WeakPolarHBondContact CB-O 3.28Å; S174-V185 PolarHBondContact OG-O 3Å
175C85.3Confident88.2Confident23 Ų2349 Ų4916%0.15528%0.278CS..  trans-146.2172.6-179.360.10000110.2L161 T173L161-C175 HydrophobicContact CD1-CB 4.42Å; T173-C175 HydrophobicContact CG2-CB 4.35Å; T173-C175 PolarHBondContact O-N 3.11Å
176G86.5Confident88.6Confident28 Ų2849.1 Ų49.129%0.28928%0.279SS..SBendtrans87.5174.5-177.200000113D140D140-G176 VanDerWaalsContact OD1-CA 3.25Å; D140-G176 WeakPolarHBondContact OD1-CA 3.37Å
177S90.4Very high89.2Confident27 Ų2749.8 Ų49.819%0.18928%0.283CS..  trans-79.4131.5-179.5-58.30000111D140 K142 N179 Y180 A181D140-S177 PolarHBondContact OD1-N 3.26Å; K142-S177 WeakPolarHBondContact CD-OG 3.42Å; K142-S177 PolarHBondContact NZ-OG 2.97Å; K142-S177 VanDerWaalsContact NZ-OG 3.13Å; S177-N179 VanDerWaalsContact C-N 3.34Å; S177-N179 PolarHBondContact O-N 2.85Å; S177-N179 VanDerWaalsContact O-N 3.15Å; S177-Y180 PolarHBondContact O-N 3.38Å; S177-A181 PolarHBondContact O-N 3.36Å; S177-A181 VanDerWaalsContact O-N 3.15Å
178P92.1Very high89.9Confident57 Ų5744.5 Ų44.537%0.3726%0.261SS..G310 helixtrans-48.3-44.5-173.2-35.238.7000116.1Y180 A181 L223 F224 I227P178-Y180 PolarHBondContact O-N 2.87Å; P178-A181 PolarHBondContact O-N 3.5Å; P178-L223 HydrophobicContact CB-CD2 3.95Å; P178-F224 HydrophobicContact CB-CE1 4.16Å; P178-I227 VanDerWaalsContact O-CD1 3.29Å; P178-I227 WeakPolarHBondContact O-CD1 3.06Å
179N96.1Very high90.7Very high32 Ų3250.4 Ų50.417%0.17127%0.268CS..G310 helixtrans-67.1-19.7-176.6-60.181.4000114.2S177 L213 F215 D216S177-N179 VanDerWaalsContact C-N 3.34Å; S177-N179 PolarHBondContact O-N 2.85Å; S177-N179 VanDerWaalsContact O-N 3.15Å; N179-L213 HydrophobicContact CB-CD1 3.88Å; N179-F215 PolarHBondContact ND2-O 2.97Å; N179-D216 PolarHBondContact ND2-OD1 3.34Å
180Y97.9Very high91.1Very high14 Ų1449.4 Ų49.46%0.05527%0.265CS..G310 helixtrans-106.8-10.4-180-58.1-86.6000112.4K142 P143 S177 P178 S200 V203 I204 L213K142-Y180 HydrophobicContact CB-CD1 4.04Å; K142-Y180 HydrophobicContact CB-CD2 3.7Å; K142-Y180 HydrophobicContact CB-CE1 4.13Å; K142-Y180 HydrophobicContact CB-CE2 3.75Å; K142-Y180 HydrophobicContact CB-CG 3.85Å; K142-Y180 HydrophobicContact CD-CD2 4.45Å; P143-Y180 WeakPolarHBondContact CD-OH 3.5Å; P143-Y180 HydrophobicContact CG-CE1 4.14Å; S177-Y180 PolarHBondContact O-N 3.38Å; P178-Y180 PolarHBondContact O-N 2.87Å; Y180-S200 PolarHBondContact O-OG 2.97Å; Y180-S200 VanDerWaalsContact O-OG 3.08Å; Y180-V203 HydrophobicContact CD1-CB 3.88Å; Y180-V203 HydrophobicContact CD1-CG1 3.36Å; Y180-V203 HydrophobicContact CE1-CB 4.42Å; Y180-V203 HydrophobicContact CE1-CG1 3.57Å; Y180-V203 HydrophobicContact CG-CG1 4.24Å; Y180-I204 HydrophobicContact CD1-CG1 4.47Å; Y180-I204 HydrophobicContact CE1-CG1 4.43Å; Y180-L213 HydrophobicContact CE1-CD2 3.95Å; Y180-L213 WeakPolarHBondContact OH-CD2 3.46Å
181A96.9Very high91.5Very high10 Ų1044 Ų448%0.08324%0.242CC..SBendtrans-75.9137.1-176.900000111.8S177 P178 V185 I186 W199S177-A181 PolarHBondContact O-N 3.36Å; S177-A181 VanDerWaalsContact O-N 3.15Å; P178-A181 PolarHBondContact O-N 3.5Å; A181-V185 HydrophobicContact CB-CB 4.48Å; A181-V185 HydrophobicContact CB-CG1 4.37Å; A181-I186 HydrophobicContact CB-CG2 3.66Å; A181-W199 PolarHBondContact O-NE1 2.87Å
182A97.6Very high91.6Very high1 Ų145.2 Ų45.21%0.00825%0.254CS..  trans-67.4155.1177.700000112.5E184 V185 I186 V196 W199A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 HydrophobicContact CB-CG 4.44Å; A182-E184 PolarHBondContact O-N 3.37Å; A182-V185 HydrophobicContact CB-CG2 4.2Å; A182-V185 WeakPolarHBondContact O-CB 3.4Å; A182-V185 PolarHBondContact O-N 3.04Å; A182-I186 PolarHBondContact O-N 3.24Å; A182-V196 HydrophobicContact CB-CB 4.15Å; A182-V196 HydrophobicContact CB-CG1 4.13Å; A182-W199 HydrophobicContact CB-CB 3.8Å; A182-W199 HydrophobicContact CB-CD2 4.21Å; A182-W199 HydrophobicContact CB-CG 3.71Å
183P97.5Very high92Very high6 Ų636.9 Ų36.94%0.03922%0.222CC..Hα-helixtrans-53.2-40.2-178.5-28.135.8000114.1V185 I186 S187 W199 I227 V252P183-V185 VanDerWaalsContact C-N 3.34Å; P183-V185 PolarHBondContact O-N 3.32Å; P183-I186 WeakPolarHBondContact O-CG1 3.4Å; P183-S187 WeakPolarHBondContact O-CB 3.34Å; P183-S187 PolarHBondContact O-N 2.88Å; P183-S187 PolarHBondContact O-OG 2.89Å; P183-W199 HydrophobicContact CG-CE3 4.35Å; P183-W199 HydrophobicContact CG-CH2 3.63Å; P183-W199 HydrophobicContact CG-CZ2 3.98Å; P183-W199 HydrophobicContact CG-CZ3 3.83Å; P183-I227 HydrophobicContact CB-CG2 4.42Å; P183-I227 HydrophobicContact CG-CG2 3.96Å; P183-V252 HydrophobicContact CB-CG1 4.09Å; P183-V252 HydrophobicContact CG-CB 4.44Å; P183-V252 HydrophobicContact CG-CG1 4.08Å; P183-V252 HydrophobicContact CG-CG2 4.37Å
184E96.3Very high92.6Very high11 Ų1135 Ų355%0.05121%0.212CC..Hα-helixtrans-68.1-31.1178.261.9-86.8-157.100113.1A182 G188 R189 V196 R257A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 HydrophobicContact CB-CG 4.44Å; A182-E184 PolarHBondContact O-N 3.37Å; E184-G188 PolarHBondContact O-N 3.18Å; E184-R189 HydrophobicContact CB-CB 4.07Å; E184-R189 PolarHBondContact O-N 3.41Å; E184-V196 HydrophobicContact CG-CG1 4.24Å; E184-R257 IonicContact OE1-CZ 2.78Å; E184-R257 IonicContact OE1-NH1 3.17Å; E184-R257 PolarHBondContact OE1-NH1 3.39Å; E184-R257 IonicContact OE1-NH2 2.9Å; E184-R257 PolarHBondContact OE1-NH2 3.03Å; E184-R257 IonicContact OE2-CZ 3.72Å; E184-R257 IonicContact OE2-NH1 2.79Å; E184-R257 IonicContact OE2-NH2 2.77Å; E184-R257 PolarHBondContact OE2-NH2 2.92Å
185V95.6Very high93.2Very high8 Ų833 Ų335%0.04819%0.194CC..Hα-helixtrans-72.5-47.4178.3179.10000110.4S174 A181 A182 P183 S187 G188 Y191 V196S174-V185 WeakPolarHBondContact CB-O 3.28Å; S174-V185 PolarHBondContact OG-O 3Å; A181-V185 HydrophobicContact CB-CB 4.48Å; A181-V185 HydrophobicContact CB-CG1 4.37Å; A182-V185 HydrophobicContact CB-CG2 4.2Å; A182-V185 WeakPolarHBondContact O-CB 3.4Å; A182-V185 PolarHBondContact O-N 3.04Å; P183-V185 VanDerWaalsContact C-N 3.34Å; P183-V185 PolarHBondContact O-N 3.32Å; V185-S187 VanDerWaalsContact C-N 3.26Å; V185-S187 PolarHBondContact O-N 3.46Å; V185-G188 PolarHBondContact O-N 3.22Å; V185-G188 VanDerWaalsContact O-N 3.16Å; V185-Y191 HydrophobicContact CG2-CD1 4.14Å; V185-Y191 HydrophobicContact CG2-CE1 4.01Å; V185-V196 HydrophobicContact CG2-CB 4.04Å; V185-V196 HydrophobicContact CG2-CG1 3.63Å
186I94.2Very high93.8Very high32 Ų3232.1 Ų32.116%0.16419%0.188CC..Hα-helixtrans-69.3-27.2177.963.7166.3000112A181 A182 P183 G188 F224 I227A181-I186 HydrophobicContact CB-CG2 3.66Å; A182-I186 PolarHBondContact O-N 3.24Å; P183-I186 WeakPolarHBondContact O-CG1 3.4Å; I186-G188 VanDerWaalsContact C-N 3.3Å; I186-F224 HydrophobicContact CB-CD1 4.29Å; I186-F224 HydrophobicContact CB-CE1 4.23Å; I186-F224 HydrophobicContact CB-CZ 4.49Å; I186-F224 HydrophobicContact CD1-CB 3.98Å; I186-F224 HydrophobicContact CD1-CD1 3.91Å; I186-F224 HydrophobicContact CD1-CG 4.04Å; I186-F224 HydrophobicContact CG2-CD1 4.32Å; I186-F224 HydrophobicContact CG2-CE1 4.03Å; I186-I227 HydrophobicContact CD1-CB 3.71Å; I186-I227 HydrophobicContact CD1-CD1 4.11Å; I186-I227 HydrophobicContact CD1-CG2 3.51Å; I186-I227 HydrophobicContact CG1-CG2 4.36Å
187S91.2Very high94.3Very high57 Ų5730.9 Ų30.940%0.39918%0.175SC..THydrogen-bonded Turntrans-82.4-4.4174.7-60.50000113.5P183 V185 R189P183-S187 WeakPolarHBondContact O-CB 3.34Å; P183-S187 PolarHBondContact O-N 2.88Å; P183-S187 PolarHBondContact O-OG 2.89Å; V185-S187 VanDerWaalsContact C-N 3.26Å; V185-S187 PolarHBondContact O-N 3.46Å; S187-R189 PolarHBondContact O-N 2.94Å
188G88.5Confident94.7Very high25 Ų2529.7 Ų29.726%0.25817%0.166SC..THydrogen-bonded Turntrans64.924.5-178.600000114.4E184 V185 I186E184-G188 PolarHBondContact O-N 3.18Å; V185-G188 PolarHBondContact O-N 3.22Å; V185-G188 VanDerWaalsContact O-N 3.16Å; I186-G188 VanDerWaalsContact C-N 3.3Å
189R89.4Confident95.1Very high173 Ų17327 Ų2765%0.65315%0.149SC*.  trans-77.4162.2175.1-63.8-177.6-172.7-172.84110E184 S187 Y191E184-R189 HydrophobicContact CB-CB 4.07Å; E184-R189 PolarHBondContact O-N 3.41Å; S187-R189 PolarHBondContact O-N 2.94Å; R189-Y191 WeakPolarHBondContact O-CD1 3.31Å
190L89.3Confident95.2Very high72 Ų7225.8 Ų25.838%0.37714%0.143SC..  trans-74.6142.5172-68.4173.5000110F170 L171 R172 Y455F170-L190 HydrophobicContact CB-CB 3.88Å; F170-L190 HydrophobicContact CB-CD1 4.43Å; F170-L190 HydrophobicContact CB-CD2 4.03Å; F170-L190 HydrophobicContact CB-CG 4.33Å; F170-L190 HydrophobicContact CG-CB 4.31Å; L171-L190 WeakPolarHBondContact O-CA 3.36Å; R172-L190 HydrophobicContact CB-CD2 3.58Å; R172-L190 HydrophobicContact CG-CD2 3.74Å; L190-Y455 HydrophobicContact CD1-CD1 4.38Å; L190-Y455 HydrophobicContact CD1-CE1 3.55Å
191Y92.8Very high95.2Very high4 Ų425.1 Ų25.12%0.01614%0.14CC..BIsolated β-bridgetrans-143.6152.3-178.560.4-94.6000110.1R139 L171 T173 V185 R189 E195 V196R139-Y191 PolarHBondContact NH1-OH 2.78Å; R139-Y191 VanDerWaalsContact NH1-OH 3.16Å; L171-Y191 HydrophobicContact CB-CD2 3.78Å; L171-Y191 HydrophobicContact CB-CE1 4.19Å; L171-Y191 HydrophobicContact CB-CE2 3.35Å; L171-Y191 HydrophobicContact CB-CG 4.36Å; L171-Y191 HydrophobicContact CD1-CD2 4.41Å; L171-Y191 HydrophobicContact CD1-CE2 3.77Å; L171-Y191 HydrophobicContact CG-CE2 4.17Å; L171-Y191 PolarHBondContact N-O 3.11Å; L171-Y191 WeakPolarHBondContact O-CD1 3.33Å; L171-Y191 PolarHBondContact O-N 3.47Å; T173-Y191 PolarHBondContact O-OH 3.07Å; V185-Y191 HydrophobicContact CG2-CD1 4.14Å; V185-Y191 HydrophobicContact CG2-CE1 4.01Å; R189-Y191 WeakPolarHBondContact O-CD1 3.31Å; Y191-E195 WeakPolarHBondContact CA-OE1 3.5Å; Y191-E195 WeakPolarHBondContact CB-OE1 3.41Å; Y191-V196 HydrophobicContact CD2-CG1 3.69Å; Y191-V196 HydrophobicContact CD2-CG2 4.19Å; Y191-V196 HydrophobicContact CE2-CG1 4.28Å; Y191-V196 HydrophobicContact CE2-CG2 4.1Å; Y191-V196 HydrophobicContact CG-CG1 3.92Å
192A91.4Very high95.3Very high43 Ų4324.6 Ų24.636%0.35514%0.136SC..  trans-76-45.8178.900000110.2E195A192-E195 PolarHBondContact N-OE1 3.33Å
193G93.5Very high95.4Very high0 Ų024.6 Ų24.60%014%0.136CC..SBendtrans134.2-52.2173.800000114.2E195 V196G193-E195 VanDerWaalsContact C-N 3.27Å; G193-E195 VanDerWaalsContact C-OE2 3.31Å; G193-E195 PolarHBondContact N-OE1 3.32Å; G193-E195 PolarHBondContact N-OE2 3.01Å; G193-E195 PolarHBondContact O-N 3.41Å; G193-V196 WeakPolarHBondContact O-CG2 3.2Å; G193-V196 PolarHBondContact O-N 3.23Å; G193-V196 VanDerWaalsContact O-N 3.08Å
194P96.4Very high95.4Very high38 Ų3824.3 Ų24.325%0.24713%0.134CC..Hα-helixtrans-55.9-41.6-177.2-29.839.3000113.2H132 V137 M165 V196 D197 I198H132-P194 VanDerWaalsContact CE1-CA 3.43Å; H132-P194 WeakPolarHBondContact CE1-CA 3.42Å; H132-P194 PolarHBondContact CE1-O 3.41Å; V137-P194 HydrophobicContact CG1-CG 4.34Å; M165-P194 HydrophobicContact CE-CG 4.09Å; M165-P194 WeakPolarHBondContact SD-CD 3.45Å; M165-P194 HydrophobicContact SD-CG 3.49Å; M165-P194 WeakPolarHBondContact SD-CG 3.2Å; P194-V196 PolarHBondContact O-N 2.63Å; P194-D197 PolarHBondContact O-N 2.85Å; P194-I198 WeakPolarHBondContact O-CG1 3.18Å; P194-I198 PolarHBondContact O-N 2.93Å; P194-I198 VanDerWaalsContact O-N 3.12Å
195E97.5Very high95.6Very high33 Ų3323.8 Ų23.815%0.15413%0.131CC..Hα-helixtrans-62.4-26.8-179.874.3-78.2-16700113.6Y191 A192 G193 W199 P254 R257Y191-E195 WeakPolarHBondContact CA-OE1 3.5Å; Y191-E195 WeakPolarHBondContact CB-OE1 3.41Å; A192-E195 PolarHBondContact N-OE1 3.33Å; G193-E195 VanDerWaalsContact C-N 3.27Å; G193-E195 VanDerWaalsContact C-OE2 3.31Å; G193-E195 PolarHBondContact N-OE1 3.32Å; G193-E195 PolarHBondContact N-OE2 3.01Å; G193-E195 PolarHBondContact O-N 3.41Å; E195-W199 PolarHBondContact O-N 3.01Å; E195-P254 HydrophobicContact CB-CB 4.49Å; E195-P254 HydrophobicContact CG-CB 3.89Å; E195-R257 WeakPolarHBondContact O-CD 3.49Å; E195-R257 PolarHBondContact O-NH1 2.96Å
196V98.1Very high95.7Very high4 Ų423.7 Ų23.72%0.02413%0.13CC..Hα-helixtrans-79-33178.8-51.20000111.7R139 A182 E184 V185 Y191 G193 P194 I198 S200R139-V196 HydrophobicContact CG-CG2 4.36Å; A182-V196 HydrophobicContact CB-CB 4.15Å; A182-V196 HydrophobicContact CB-CG1 4.13Å; E184-V196 HydrophobicContact CG-CG1 4.24Å; V185-V196 HydrophobicContact CG2-CB 4.04Å; V185-V196 HydrophobicContact CG2-CG1 3.63Å; Y191-V196 HydrophobicContact CD2-CG1 3.69Å; Y191-V196 HydrophobicContact CD2-CG2 4.19Å; Y191-V196 HydrophobicContact CE2-CG1 4.28Å; Y191-V196 HydrophobicContact CE2-CG2 4.1Å; Y191-V196 HydrophobicContact CG-CG1 3.92Å; G193-V196 WeakPolarHBondContact O-CG2 3.2Å; G193-V196 PolarHBondContact O-N 3.23Å; G193-V196 VanDerWaalsContact O-N 3.08Å; P194-V196 PolarHBondContact O-N 2.63Å; V196-I198 VanDerWaalsContact C-N 3.33Å; V196-S200 PolarHBondContact O-N 2.77Å; V196-S200 VanDerWaalsContact O-N 3.13Å; V196-S200 PolarHBondContact O-OG 3.45Å
197D98.5Very high95.9Very high1 Ų122.5 Ų22.51%0.00513%0.125CC..Hα-helixtrans-70-33.7172.5-78.5-16.2000110.8V128 H132 H138 R139 L141 P194 S200 S201V128-D197 HydrophobicContact CG1-CB 4.1Å; H132-D197 IonicContact CD2-OD2 2.91Å; H132-D197 IonicContact CE1-OD2 3.41Å; H132-D197 IonicContact NE2-OD2 3.8Å; H132-D197 PolarHBondContact NE2-OD2 3.41Å; H138-D197 PolarHBondContact N-OD2 3.21Å; R139-D197 WeakPolarHBondContact CA-OD1 3.4Å; R139-D197 PolarHBondContact N-OD1 3.05Å; L141-D197 HydrophobicContact CD1-CB 3.71Å; P194-D197 PolarHBondContact O-N 2.85Å; D197-S200 PolarHBondContact O-N 3.32Å; D197-S201 WeakPolarHBondContact O-CB 3.39Å; D197-S201 PolarHBondContact O-N 2.86Å; D197-S201 PolarHBondContact O-OG 3.02Å
198I98.8Very high96.3Very high3 Ų319.8 Ų19.82%0.01511%0.106CC..Hα-helixtrans-65.8-44.8174.1-60.9-63.1000111.6P194 V196 S200 S201 G202 M249 A258 I260 I263P194-I198 WeakPolarHBondContact O-CG1 3.18Å; P194-I198 PolarHBondContact O-N 2.93Å; P194-I198 VanDerWaalsContact O-N 3.12Å; V196-I198 VanDerWaalsContact C-N 3.33Å; I198-S200 VanDerWaalsContact C-N 3.32Å; I198-S200 PolarHBondContact O-N 2.64Å; I198-S201 WeakPolarHBondContact O-CB 3.45Å; I198-S201 PolarHBondContact O-N 3.03Å; I198-G202 PolarHBondContact O-N 2.87Å; I198-M249 HydrophobicContact CG2-CB 4.26Å; I198-M249 HydrophobicContact CG2-CE 3.88Å; I198-M249 HydrophobicContact CG2-CG 4.14Å; I198-M249 WeakPolarHBondContact O-CE 3.47Å; I198-A258 WeakPolarHBondContact CG2-O 3.37Å; I198-I260 HydrophobicContact CD1-CD1 4.17Å; I198-I260 HydrophobicContact CD1-CG1 3.39Å; I198-I260 HydrophobicContact CG1-CG1 4.46Å; I198-I263 HydrophobicContact CD1-CD1 3.74Å; I198-I263 HydrophobicContact CG2-CD1 3.87Å
199W98.8Very high96.7Very high0 Ų019 Ų190%010%0.096CC..Hα-helixtrans-55.3-50.8173.8177.6-82.3000111A181 A182 P183 E195 S201 G202 V203 F215 I227 L250 Q251 V252A181-W199 PolarHBondContact O-NE1 2.87Å; A182-W199 HydrophobicContact CB-CB 3.8Å; A182-W199 HydrophobicContact CB-CD2 4.21Å; A182-W199 HydrophobicContact CB-CG 3.71Å; P183-W199 HydrophobicContact CG-CE3 4.35Å; P183-W199 HydrophobicContact CG-CH2 3.63Å; P183-W199 HydrophobicContact CG-CZ2 3.98Å; P183-W199 HydrophobicContact CG-CZ3 3.83Å; E195-W199 PolarHBondContact O-N 3.01Å; W199-S201 VanDerWaalsContact C-N 3.28Å; W199-S201 PolarHBondContact O-N 3.32Å; W199-G202 WeakPolarHBondContact O-CA 3.44Å; W199-G202 PolarHBondContact O-N 3.47Å; W199-V203 PolarHBondContact O-N 3.4Å; W199-F215 AromaticContact CH2-CE2 3.99Å; W199-F215 HydrophobicContact CH2-CE2 3.99Å; W199-F215 HydrophobicContact CH2-CZ 4.08Å; W199-F215 HydrophobicContact CZ2-CD2 4.11Å; W199-F215 AromaticContact CZ2-CE2 3.44Å; W199-F215 HydrophobicContact CZ2-CE2 3.44Å; W199-F215 VanDerWaalsContact CZ2-CE2 3.44Å; W199-F215 AromaticContact CZ2-CZ 3.98Å; W199-F215 HydrophobicContact CZ2-CZ 3.98Å; W199-I227 HydrophobicContact CZ2-CG2 3.96Å; W199-L250 HydrophobicContact CD2-CD2 3.96Å; W199-L250 HydrophobicContact CE3-CD2 4.15Å; W199-L250 HydrophobicContact CG-CD2 4.37Å; W199-L250 HydrophobicContact CZ2-CD2 4.44Å; W199-L250 VanDerWaalsContact CZ3-C 3.46Å; W199-L250 HydrophobicContact CZ3-CB 4.24Å; W199-L250 HydrophobicContact CZ3-CD2 4.5Å; W199-L250 VanDerWaalsContact CZ3-O 3.29Å; W199-L250 WeakPolarHBondContact CZ3-O 3.47Å; W199-Q251 WeakPolarHBondContact CZ3-O 3.44Å; W199-V252 HydrophobicContact CH2-CG2 4.47Å
200S98.8Very high97.1Very high6 Ų611.3 Ų11.34%0.0427%0.068CC..Hα-helixtrans-57.6-42.2178.6-52.90000111.7Y180 V196 D197 I198 G202 V203 I204Y180-S200 PolarHBondContact O-OG 2.97Å; Y180-S200 VanDerWaalsContact O-OG 3.08Å; V196-S200 PolarHBondContact O-N 2.77Å; V196-S200 VanDerWaalsContact O-N 3.13Å; V196-S200 PolarHBondContact O-OG 3.45Å; D197-S200 PolarHBondContact O-N 3.32Å; I198-S200 VanDerWaalsContact C-N 3.32Å; I198-S200 PolarHBondContact O-N 2.64Å; S200-G202 VanDerWaalsContact C-N 3.34Å; S200-G202 PolarHBondContact O-N 3.06Å; S200-V203 WeakPolarHBondContact O-CB 3.46Å; S200-V203 PolarHBondContact O-N 3.46Å; S200-I204 WeakPolarHBondContact O-CG1 3.39Å; S200-I204 PolarHBondContact O-N 3.25Å
201S98.8Very high97.5Very high0 Ų09.3 Ų9.30%07%0.065CC..Hα-helixtrans-64.6-36.4176-57.80000112.4F121 D197 I198 W199 I204 L205F121-S201 WeakPolarHBondContact CE2-O 3.17Å; D197-S201 WeakPolarHBondContact O-CB 3.39Å; D197-S201 PolarHBondContact O-N 2.86Å; D197-S201 PolarHBondContact O-OG 3.02Å; I198-S201 WeakPolarHBondContact O-CB 3.45Å; I198-S201 PolarHBondContact O-N 3.03Å; W199-S201 VanDerWaalsContact C-N 3.28Å; W199-S201 PolarHBondContact O-N 3.32Å; S201-I204 PolarHBondContact O-N 2.98Å; S201-L205 PolarHBondContact O-N 2.68Å
202G98.8Very high97.7Very high0 Ų013.1 Ų13.10%09%0.089CC..Hα-helixtrans-65.1-38.9174.200000112.3I198 W199 S200 L205 Y206 L246 M249I198-G202 PolarHBondContact O-N 2.87Å; W199-G202 WeakPolarHBondContact O-CA 3.44Å; W199-G202 PolarHBondContact O-N 3.47Å; S200-G202 VanDerWaalsContact C-N 3.34Å; S200-G202 PolarHBondContact O-N 3.06Å; G202-L205 PolarHBondContact O-N 3.1Å; G202-Y206 PolarHBondContact O-N 3.21Å; G202-L246 WeakPolarHBondContact O-CD2 3.29Å; G202-M249 VanDerWaalsContact N-CE 3.28Å
203V98.8Very high98Very high0 Ų013.3 Ų13.30%08%0.084CC..Hα-helixtrans-64-41.8172.7179.20000110.9Y180 W199 S200 Y206 A207 L213 P214 L250Y180-V203 HydrophobicContact CD1-CB 3.88Å; Y180-V203 HydrophobicContact CD1-CG1 3.36Å; Y180-V203 HydrophobicContact CE1-CB 4.42Å; Y180-V203 HydrophobicContact CE1-CG1 3.57Å; Y180-V203 HydrophobicContact CG-CG1 4.24Å; W199-V203 PolarHBondContact O-N 3.4Å; S200-V203 WeakPolarHBondContact O-CB 3.46Å; S200-V203 PolarHBondContact O-N 3.46Å; V203-Y206 PolarHBondContact O-N 3.42Å; V203-A207 PolarHBondContact O-N 3.38Å; V203-L213 HydrophobicContact CG1-CD2 4.11Å; V203-P214 HydrophobicContact CB-CG 4.33Å; V203-P214 HydrophobicContact CG1-CG 3.93Å; V203-P214 HydrophobicContact CG2-CG 4.12Å; V203-L250 HydrophobicContact CG2-CD2 3.92Å
204I98.8Very high98.2Very high0 Ų014 Ų140%09%0.088CC..Hα-helixtrans-61.4-46.4174.3-66.4166.9000111L102 I124 L141 P143 Y180 S200 S201 Y206 A207 L208L102-I204 HydrophobicContact CD2-CG2 4.38Å; I124-I204 HydrophobicContact CD1-CG2 4.01Å; L141-I204 HydrophobicContact CB-CD1 4.15Å; P143-I204 HydrophobicContact CG-CG1 4.31Å; Y180-I204 HydrophobicContact CD1-CG1 4.47Å; Y180-I204 HydrophobicContact CE1-CG1 4.43Å; S200-I204 WeakPolarHBondContact O-CG1 3.39Å; S200-I204 PolarHBondContact O-N 3.25Å; S201-I204 PolarHBondContact O-N 2.98Å; I204-Y206 VanDerWaalsContact C-N 3.3Å; I204-Y206 PolarHBondContact O-N 3.2Å; I204-A207 WeakPolarHBondContact O-CB 3.42Å; I204-A207 PolarHBondContact O-N 3.31Å; I204-A207 VanDerWaalsContact O-N 3.12Å; I204-L208 HydrophobicContact CG2-CD1 4.15Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CG 3.24Å; I204-L208 PolarHBondContact O-N 3.38Å
205L98.8Very high98.3Very high0 Ų012.2 Ų12.20%08%0.077CC..Hα-helixtrans-58.5-43.6177.717957.4000111.5F121 S201 G202 A207 L208 L209 V242 L245 L246 M249 W268F121-L205 HydrophobicContact CB-CD1 4.06Å; F121-L205 HydrophobicContact CD1-CD1 4.16Å; F121-L205 HydrophobicContact CD1-CD2 4.19Å; F121-L205 HydrophobicContact CD2-CB 3.78Å; F121-L205 HydrophobicContact CD2-CD1 4.04Å; F121-L205 HydrophobicContact CD2-CD2 4.47Å; F121-L205 HydrophobicContact CD2-CG 4.3Å; F121-L205 HydrophobicContact CE1-CD2 3.91Å; F121-L205 HydrophobicContact CE2-CB 3.7Å; F121-L205 HydrophobicContact CE2-CD2 4.22Å; F121-L205 HydrophobicContact CE2-CG 4.38Å; F121-L205 HydrophobicContact CG-CB 4.4Å; F121-L205 HydrophobicContact CG-CD1 3.81Å; F121-L205 HydrophobicContact CG-CD2 4.45Å; F121-L205 HydrophobicContact CG-CG 4.44Å; F121-L205 HydrophobicContact CZ-CB 4.24Å; F121-L205 HydrophobicContact CZ-CD2 3.93Å; S201-L205 PolarHBondContact O-N 2.68Å; G202-L205 PolarHBondContact O-N 3.1Å; L205-A207 VanDerWaalsContact C-N 3.35Å; L205-A207 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 3.35Å; L205-L209 HydrophobicContact CD1-CD1 3.78Å; L205-L209 HydrophobicContact CD1-CG 4.18Å; L205-L209 HydrophobicContact CG-CD1 3.88Å; L205-L209 WeakPolarHBondContact O-CG 3.24Å; L205-L209 PolarHBondContact O-N 2.93Å; L205-L209 VanDerWaalsContact O-N 3.13Å; L205-V242 HydrophobicContact CD2-CG2 4.09Å; L205-L245 HydrophobicContact CD2-CD2 4.13Å; L205-L246 HydrophobicContact CB-CD2 4.07Å; L205-L246 HydrophobicContact CD2-CD2 3.93Å; L205-L246 HydrophobicContact CD2-CG 4.25Å; L205-L246 HydrophobicContact CG-CD2 3.94Å; L205-M249 HydrophobicContact CD2-SD 4.45Å; L205-W268 HydrophobicContact CD1-CH2 3.65Å; L205-W268 HydrophobicContact CD1-CZ3 3.96Å; L205-W268 HydrophobicContact CD2-CZ3 4.28Å
206Y98.8Very high98.2Very high7 Ų714.8 Ų14.83%0.0279%0.091CC..Hα-helixtrans-60.1-45.6174.9-172.2-82000111.4G202 V203 I204 L208 L209 C210 T212 P214 F232 F233 L246G202-Y206 PolarHBondContact O-N 3.21Å; V203-Y206 PolarHBondContact O-N 3.42Å; I204-Y206 VanDerWaalsContact C-N 3.3Å; I204-Y206 PolarHBondContact O-N 3.2Å; Y206-L208 VanDerWaalsContact C-N 3.33Å; Y206-L208 PolarHBondContact O-N 3Å; Y206-L209 PolarHBondContact O-N 3.29Å; Y206-C210 HydrophobicContact CD1-CB 3.94Å; Y206-C210 HydrophobicContact CE1-CB 3.61Å; Y206-C210 VanDerWaalsContact CZ-SG 3.54Å; Y206-C210 VanDerWaalsContact O-CB 3.25Å; Y206-C210 WeakPolarHBondContact O-CB 3.48Å; Y206-C210 PolarHBondContact O-N 3.33Å; Y206-T212 WeakPolarHBondContact CD1-O 3.23Å; Y206-T212 WeakPolarHBondContact CE1-O 3.28Å; Y206-P214 HydrophobicContact CD1-CB 3.78Å; Y206-P214 VanDerWaalsContact CD1-CD 3.48Å; Y206-P214 HydrophobicContact CD1-CG 4.03Å; Y206-P214 HydrophobicContact CD2-CB 4Å; Y206-P214 HydrophobicContact CE1-CB 3.99Å; Y206-P214 HydrophobicContact CE2-CB 4.2Å; Y206-P214 HydrophobicContact CG-CB 3.78Å; Y206-P214 HydrophobicContact CG-CG 4.04Å; Y206-F232 HydrophobicContact CD2-CD2 4.02Å; Y206-F232 HydrophobicContact CD2-CE2 4.2Å; Y206-F232 AromaticContact CE2-CD2 3.67Å; Y206-F232 HydrophobicContact CE2-CD2 3.67Å; Y206-F232 HydrophobicContact CE2-CE2 4.13Å; Y206-F233 VanDerWaalsContact CE2-O 3.25Å; Y206-F233 WeakPolarHBondContact CE2-O 3.45Å; Y206-F233 PolarHBondContact OH-O 3Å; Y206-L246 HydrophobicContact CD2-CD1 4.18Å
207A98.4Very high98.1Very high6 Ų616.8 Ų16.85%0.0510%0.102CC..Hα-helixtrans-61.5-38.7178.500000112.7I106 V203 I204 L205 G211 T212I106-A207 HydrophobicContact CD1-CB 4.35Å; V203-A207 PolarHBondContact O-N 3.38Å; I204-A207 WeakPolarHBondContact O-CB 3.42Å; I204-A207 PolarHBondContact O-N 3.31Å; I204-A207 VanDerWaalsContact O-N 3.12Å; L205-A207 VanDerWaalsContact C-N 3.35Å; L205-A207 PolarHBondContact O-N 3.4Å; A207-G211 VanDerWaalsContact O-CA 3.23Å; A207-G211 WeakPolarHBondContact O-CA 3.44Å; A207-G211 PolarHBondContact O-N 3.49Å; A207-T212 WeakPolarHBondContact CA-O 3.5Å
208L98.6Very high97.9Very high0 Ų024.9 Ų24.90%015%0.145CC..Hα-helixtrans-61.8-45.1174.8-67.8168.3000111.9L102 I106 L112 L120 F121 I204 L205 Y206L102-L208 HydrophobicContact CD1-CD2 3.9Å; L102-L208 HydrophobicContact CD2-CD2 4.13Å; L102-L208 HydrophobicContact CG-CD2 4.3Å; I106-L208 HydrophobicContact CD1-CD2 3.88Å; I106-L208 HydrophobicContact CD1-CG 4.45Å; I106-L208 HydrophobicContact CG1-CD2 4.16Å; L112-L208 HydrophobicContact CD1-CD2 3.56Å; L112-L208 PolarHBondContact N-O 3.38Å; L120-L208 HydrophobicContact CB-CD1 4.49Å; L120-L208 HydrophobicContact CD1-CD2 4.21Å; F121-L208 HydrophobicContact CB-CD1 4.46Å; I204-L208 HydrophobicContact CG2-CD1 4.15Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CG 3.24Å; I204-L208 PolarHBondContact O-N 3.38Å; L205-L208 PolarHBondContact O-N 3.35Å; Y206-L208 VanDerWaalsContact C-N 3.33Å; Y206-L208 PolarHBondContact O-N 3Å
209L98.4Very high97.7Very high8 Ų830 Ų304%0.04217%0.169CC..Hα-helixtrans-80.9-29-174-67.2167.4000114K111 L205 Y206 L238 V242 L246 W268K111-L209 WeakPolarHBondContact CB-O 3.5Å; L205-L209 HydrophobicContact CD1-CD1 3.78Å; L205-L209 HydrophobicContact CD1-CG 4.18Å; L205-L209 HydrophobicContact CG-CD1 3.88Å; L205-L209 WeakPolarHBondContact O-CG 3.24Å; L205-L209 PolarHBondContact O-N 2.93Å; L205-L209 VanDerWaalsContact O-N 3.13Å; Y206-L209 PolarHBondContact O-N 3.29Å; L209-L238 HydrophobicContact CB-CD2 3.87Å; L209-V242 HydrophobicContact CD1-CB 4.49Å; L209-V242 HydrophobicContact CD1-CG1 4.05Å; L209-V242 HydrophobicContact CD1-CG2 3.58Å; L209-L246 HydrophobicContact CD1-CD1 4.27Å; L209-W268 HydrophobicContact CD2-CZ2 4.45Å
210C97.9Very high97.5Very high12 Ų1233.5 Ų33.58%0.08119%0.19CC..Hα-helixtrans-109.9-21.8-173.2-62.90000113.2Y206 T212Y206-C210 HydrophobicContact CD1-CB 3.94Å; Y206-C210 HydrophobicContact CE1-CB 3.61Å; Y206-C210 VanDerWaalsContact CZ-SG 3.54Å; Y206-C210 VanDerWaalsContact O-CB 3.25Å; Y206-C210 WeakPolarHBondContact O-CB 3.48Å; Y206-C210 PolarHBondContact O-N 3.33Å; C210-T212 PolarHBondContact O-N 2.99Å
211G97.1Very high97.2Very high30 Ų3036.9 Ų36.931%0.30921%0.212SC..SBendtrans70.28.2-171.600000114A207A207-G211 VanDerWaalsContact O-CA 3.23Å; A207-G211 WeakPolarHBondContact O-CA 3.44Å; A207-G211 PolarHBondContact O-N 3.49Å
212T96.6Very high97.1Very high84 Ų8439.5 Ų39.552%0.51523%0.228SC..SBendtrans-139.2166.9-178.862.50000110.2Y206 A207 C210Y206-T212 WeakPolarHBondContact CD1-O 3.23Å; Y206-T212 WeakPolarHBondContact CE1-O 3.28Å; A207-T212 WeakPolarHBondContact CA-O 3.5Å; C210-T212 PolarHBondContact O-N 2.99Å
213L97.4Very high97Very high47 Ų4739.8 Ų39.825%0.24623%0.23CC..  trans-84.1146.5176.6-65.9171.5000111.8N179 Y180 V203 F215 D216N179-L213 HydrophobicContact CB-CD1 3.88Å; Y180-L213 HydrophobicContact CE1-CD2 3.95Å; Y180-L213 WeakPolarHBondContact OH-CD2 3.46Å; V203-L213 HydrophobicContact CG1-CD2 4.11Å; L213-F215 VanDerWaalsContact C-N 3.34Å; L213-D216 HydrophobicContact CB-CB 4.14Å; L213-D216 HydrophobicContact CD1-CB 4.44Å
214P97.9Very high96.9Very high14 Ų1443.2 Ų43.29%0.09125%0.245CC..SBendtrans-72.2-30.5175.527.9-31.3000112.2V203 Y206 F232V203-P214 HydrophobicContact CB-CG 4.33Å; V203-P214 HydrophobicContact CG1-CG 3.93Å; V203-P214 HydrophobicContact CG2-CG 4.12Å; Y206-P214 HydrophobicContact CD1-CB 3.78Å; Y206-P214 VanDerWaalsContact CD1-CD 3.48Å; Y206-P214 HydrophobicContact CD1-CG 4.03Å; Y206-P214 HydrophobicContact CD2-CB 4Å; Y206-P214 HydrophobicContact CE1-CB 3.99Å; Y206-P214 HydrophobicContact CE2-CB 4.2Å; Y206-P214 HydrophobicContact CG-CB 3.78Å; Y206-P214 HydrophobicContact CG-CG 4.04Å; P214-F232 HydrophobicContact CB-CB 3.8Å; P214-F232 HydrophobicContact CB-CG 4.23Å
215F97.9Very high96.8Very high1 Ų149.7 Ų49.70%0.00427%0.273CS..SBendtrans-129.3112.2177.3-45.3-72.5000109N179 W199 L213 L223 K226 I227 F232 L250N179-F215 PolarHBondContact ND2-O 2.97Å; W199-F215 AromaticContact CH2-CE2 3.99Å; W199-F215 HydrophobicContact CH2-CE2 3.99Å; W199-F215 HydrophobicContact CH2-CZ 4.08Å; W199-F215 HydrophobicContact CZ2-CD2 4.11Å; W199-F215 AromaticContact CZ2-CE2 3.44Å; W199-F215 HydrophobicContact CZ2-CE2 3.44Å; W199-F215 VanDerWaalsContact CZ2-CE2 3.44Å; W199-F215 AromaticContact CZ2-CZ 3.98Å; W199-F215 HydrophobicContact CZ2-CZ 3.98Å; L213-F215 VanDerWaalsContact C-N 3.34Å; F215-L223 HydrophobicContact CB-CD1 4.13Å; F215-K226 HydrophobicContact CD1-CB 4.32Å; F215-I227 HydrophobicContact CB-CG1 3.78Å; F215-I227 HydrophobicContact CD2-CG1 4.31Å; F215-I227 HydrophobicContact CG-CG1 4.04Å; F215-F232 HydrophobicContact CD1-CB 4.5Å; F215-F232 HydrophobicContact CE1-CB 3.89Å; F215-F232 HydrophobicContact CE1-CD1 4.49Å; F215-F232 HydrophobicContact CZ-CB 4.13Å; F215-F232 HydrophobicContact CZ-CD1 4.09Å; F215-L250 HydrophobicContact CE2-CD1 4.4Å
216D96.1Very high96.7Very high87 Ų8753.4 Ų53.447%0.46529%0.289SS..  trans-149.3143.2177-163.529.6000110.8N179 L213 K226N179-D216 PolarHBondContact ND2-OD1 3.34Å; L213-D216 HydrophobicContact CB-CB 4.14Å; L213-D216 HydrophobicContact CD1-CB 4.44Å; D216-K226 PolarHBondContact O-NZ 3.02Å
217D96.2Very high96.7Very high47 Ų4753.1 Ų53.125%0.25129%0.288SS..  trans-168136.9176.4-153.4-80.7000109.8H219 T222 L223 K226D217-H219 PolarHBondContact O-N 2.9Å; D217-H219 WeakPolarHBondContact OD1-CB 3.17Å; D217-H219 PolarHBondContact OD1-N 3.34Å; D217-T222 HydrophobicContact CB-CG2 4.39Å; D217-T222 VanDerWaalsContact OD2-CG2 3.3Å; D217-T222 WeakPolarHBondContact OD2-CG2 3.42Å; D217-L223 HydrophobicContact CB-CB 3.98Å; D217-K226 HydrophobicContact CB-CD 4.46Å; D217-K226 VanDerWaalsContact OD2-CE 3.32Å; D217-K226 WeakPolarHBondContact OD2-CE 3.41Å; D217-K226 IonicContact OD2-NZ 2.68Å; D217-K226 PolarHBondContact OD2-NZ 3.11Å
218D94.8Very high96.5Very high171 Ų17155.1 Ų55.191%0.91430%0.301SS*.SBendtrans-62.7-27.4174.9-66.6-34.5000112
219H95.1Very high96.4Very high109 Ų10959.3 Ų59.351%0.50532%0.324SS..SBendtrans-93.6105.9177.5-164.659.9000111.3D217 P221 T222 L223D217-H219 PolarHBondContact O-N 2.9Å; D217-H219 WeakPolarHBondContact OD1-CB 3.17Å; D217-H219 PolarHBondContact OD1-N 3.34Å; H219-P221 WeakPolarHBondContact NE2-CD 3.42Å; H219-P221 WeakPolarHBondContact NE2-CG 3.28Å; H219-T222 PolarHBondContact CD2-OG1 2.77Å; H219-T222 WeakPolarHBondContact O-CA 3.14Å; H219-T222 WeakPolarHBondContact O-CB 3.24Å; H219-T222 PolarHBondContact O-N 2.78Å; H219-L223 PolarHBondContact O-N 2.84Å
220V93.3Very high96.3Very high74 Ų7459.7 Ų59.745%0.44833%0.329SS..Hα-helixtrans-49.6-44.4-176.7176.80000114.3T222 L223 F224V220-T222 VanDerWaalsContact C-N 3.32Å; V220-T222 PolarHBondContact O-N 2.9Å; V220-L223 WeakPolarHBondContact O-CB 3.46Å; V220-L223 PolarHBondContact O-N 2.91Å; V220-F224 HydrophobicContact CG1-CD1 4.29Å; V220-F224 HydrophobicContact CG1-CD2 4.34Å; V220-F224 HydrophobicContact CG1-CE1 3.89Å; V220-F224 HydrophobicContact CG1-CE2 3.94Å; V220-F224 HydrophobicContact CG1-CZ 3.69Å; V220-F224 WeakPolarHBondContact O-CG 3.4Å; V220-F224 PolarHBondContact O-N 2.76Å
221P93.8Very high96.1Very high77 Ų7765.6 Ų65.650%0.536%0.359SS..Hα-helixtrans-60.1-37.4174.2-27.136.2000114.3H219 K225H219-P221 WeakPolarHBondContact NE2-CD 3.42Å; H219-P221 WeakPolarHBondContact NE2-CG 3.28Å; P221-K225 PolarHBondContact O-N 3.27Å
222T96.2Very high96.1Very high56 Ų5665.6 Ų65.634%0.34435%0.35SS..Hα-helixtrans-69.7-41.6175.8-54.80000110.6D217 H219 V220 F224 K225 K226D217-T222 HydrophobicContact CB-CG2 4.39Å; D217-T222 VanDerWaalsContact OD2-CG2 3.3Å; D217-T222 WeakPolarHBondContact OD2-CG2 3.42Å; H219-T222 PolarHBondContact CD2-OG1 2.77Å; H219-T222 WeakPolarHBondContact O-CA 3.14Å; H219-T222 WeakPolarHBondContact O-CB 3.24Å; H219-T222 PolarHBondContact O-N 2.78Å; V220-T222 VanDerWaalsContact C-N 3.32Å; V220-T222 PolarHBondContact O-N 2.9Å; T222-F224 PolarHBondContact O-N 3.38Å; T222-K225 WeakPolarHBondContact O-CB 3.4Å; T222-K225 PolarHBondContact O-N 2.79Å; T222-K226 WeakPolarHBondContact O-CG 3.36Å; T222-K226 PolarHBondContact O-N 2.9Å
223L96.8Very high96.2Very high5 Ų568.7 Ų68.73%0.02636%0.356CS..Hα-helixtrans-55.8-49.6172.7173.959.4000111.1P178 F215 D217 H219 V220 K225 K226 I227P178-L223 HydrophobicContact CB-CD2 3.95Å; F215-L223 HydrophobicContact CB-CD1 4.13Å; D217-L223 HydrophobicContact CB-CB 3.98Å; H219-L223 PolarHBondContact O-N 2.84Å; V220-L223 WeakPolarHBondContact O-CB 3.46Å; V220-L223 PolarHBondContact O-N 2.91Å; L223-K225 VanDerWaalsContact C-N 3.27Å; L223-K225 PolarHBondContact O-N 2.84Å; L223-K226 WeakPolarHBondContact O-CB 3.34Å; L223-K226 PolarHBondContact O-N 3.31Å; L223-K226 VanDerWaalsContact O-N 3.14Å; L223-I227 HydrophobicContact CD1-CD1 3.87Å; L223-I227 HydrophobicContact CD1-CG1 4.17Å; L223-I227 HydrophobicContact CG-CD1 3.86Å; L223-I227 WeakPolarHBondContact O-CG1 3.45Å; L223-I227 PolarHBondContact O-N 3.18Å
224F96.1Very high96.1Very high72 Ų7268.5 Ų68.532%0.31636%0.358SS..Hα-helixtrans-60.3-37.9177.6-73-2.8000112.5P178 I186 V220 T222 I227 C228P178-F224 HydrophobicContact CB-CE1 4.16Å; I186-F224 HydrophobicContact CB-CD1 4.29Å; I186-F224 HydrophobicContact CB-CE1 4.23Å; I186-F224 HydrophobicContact CB-CZ 4.49Å; I186-F224 HydrophobicContact CD1-CB 3.98Å; I186-F224 HydrophobicContact CD1-CD1 3.91Å; I186-F224 HydrophobicContact CD1-CG 4.04Å; I186-F224 HydrophobicContact CG2-CD1 4.32Å; I186-F224 HydrophobicContact CG2-CE1 4.03Å; V220-F224 HydrophobicContact CG1-CD1 4.29Å; V220-F224 HydrophobicContact CG1-CD2 4.34Å; V220-F224 HydrophobicContact CG1-CE1 3.89Å; V220-F224 HydrophobicContact CG1-CE2 3.94Å; V220-F224 HydrophobicContact CG1-CZ 3.69Å; V220-F224 WeakPolarHBondContact O-CG 3.4Å; V220-F224 PolarHBondContact O-N 2.76Å; T222-F224 PolarHBondContact O-N 3.38Å; F224-I227 HydrophobicContact CD1-CD1 4.47Å; F224-I227 PolarHBondContact O-N 2.82Å; F224-C228 WeakPolarHBondContact O-CB 3.38Å; F224-C228 PolarHBondContact O-N 3.2Å; F224-C228 PolarHBondContact O-SG 3.18Å; F224-C228 VanDerWaalsContact O-SG 3.35Å
225K96.3Very high96Very high137 Ų13768.4 Ų68.460%0.59636%0.357SS*.Hα-helixtrans-62.8-47.9173.5-177.9170.1179.9167.20111.7P221 T222 L223 I227 C228 D229P221-K225 PolarHBondContact O-N 3.27Å; T222-K225 WeakPolarHBondContact O-CB 3.4Å; T222-K225 PolarHBondContact O-N 2.79Å; L223-K225 VanDerWaalsContact C-N 3.27Å; L223-K225 PolarHBondContact O-N 2.84Å; K225-I227 VanDerWaalsContact C-N 3.31Å; K225-I227 PolarHBondContact O-N 2.78Å; K225-C228 PolarHBondContact O-N 2.9Å; K225-D229 WeakPolarHBondContact CG-OD2 3.43Å; K225-D229 WeakPolarHBondContact O-CB 3.49Å; K225-D229 PolarHBondContact O-N 2.79Å
226K97.4Very high95.8Very high77 Ų7778 Ų7834%0.33540%0.401SS..Hα-helixtrans-57.3-43.8177.1-70.4177.3-179.6173.70112F215 D216 D217 T222 L223 D229 G230F215-K226 HydrophobicContact CD1-CB 4.32Å; D216-K226 PolarHBondContact O-NZ 3.02Å; D217-K226 HydrophobicContact CB-CD 4.46Å; D217-K226 VanDerWaalsContact OD2-CE 3.32Å; D217-K226 WeakPolarHBondContact OD2-CE 3.41Å; D217-K226 IonicContact OD2-NZ 2.68Å; D217-K226 PolarHBondContact OD2-NZ 3.11Å; T222-K226 WeakPolarHBondContact O-CG 3.36Å; T222-K226 PolarHBondContact O-N 2.9Å; L223-K226 WeakPolarHBondContact O-CB 3.34Å; L223-K226 PolarHBondContact O-N 3.31Å; L223-K226 VanDerWaalsContact O-N 3.14Å; K226-D229 PolarHBondContact O-N 3.26Å; K226-G230 PolarHBondContact O-N 3.26Å
227I97.6Very high95.8Very high1 Ų179.4 Ų79.41%0.00540%0.401CS..Hα-helixtrans-62.3-48.1177.4-66.4165.5000110.6P178 P183 I186 W199 F215 L223 F224 K225 D229 G230P178-I227 VanDerWaalsContact O-CD1 3.29Å; P178-I227 WeakPolarHBondContact O-CD1 3.06Å; P183-I227 HydrophobicContact CB-CG2 4.42Å; P183-I227 HydrophobicContact CG-CG2 3.96Å; I186-I227 HydrophobicContact CD1-CB 3.71Å; I186-I227 HydrophobicContact CD1-CD1 4.11Å; I186-I227 HydrophobicContact CD1-CG2 3.51Å; I186-I227 HydrophobicContact CG1-CG2 4.36Å; W199-I227 HydrophobicContact CZ2-CG2 3.96Å; F215-I227 HydrophobicContact CB-CG1 3.78Å; F215-I227 HydrophobicContact CD2-CG1 4.31Å; F215-I227 HydrophobicContact CG-CG1 4.04Å; L223-I227 HydrophobicContact CD1-CD1 3.87Å; L223-I227 HydrophobicContact CD1-CG1 4.17Å; L223-I227 HydrophobicContact CG-CD1 3.86Å; L223-I227 WeakPolarHBondContact O-CG1 3.45Å; L223-I227 PolarHBondContact O-N 3.18Å; F224-I227 HydrophobicContact CD1-CD1 4.47Å; F224-I227 PolarHBondContact O-N 2.82Å; K225-I227 VanDerWaalsContact C-N 3.31Å; K225-I227 PolarHBondContact O-N 2.78Å; I227-D229 VanDerWaalsContact C-N 3.34Å; I227-D229 PolarHBondContact O-N 2.77Å; I227-G230 PolarHBondContact O-N 3.19Å
228C96Very high95.8Very high48 Ų4878 Ų7832%0.32439%0.393SS..Hα-helixtrans-67.4-31.3179.2-73.80000113.7F224 K225 G230 V252F224-C228 WeakPolarHBondContact O-CB 3.38Å; F224-C228 PolarHBondContact O-N 3.2Å; F224-C228 PolarHBondContact O-SG 3.18Å; F224-C228 VanDerWaalsContact O-SG 3.35Å; K225-C228 PolarHBondContact O-N 2.9Å; C228-G230 VanDerWaalsContact C-N 3.32Å; C228-V252 WeakPolarHBondContact O-CG1 3.47Å
229D96.6Very high95.7Very high89 Ų8972.4 Ų72.448%0.47636%0.364SS..Hα-helixtrans-73.6-27.9175.1-68.9-14.9000110.9K225 K226 I227 I231K225-D229 WeakPolarHBondContact CG-OD2 3.43Å; K225-D229 WeakPolarHBondContact O-CB 3.49Å; K225-D229 PolarHBondContact O-N 2.79Å; K226-D229 PolarHBondContact O-N 3.26Å; I227-D229 VanDerWaalsContact C-N 3.34Å; I227-D229 PolarHBondContact O-N 2.77Å; D229-I231 HydrophobicContact CB-CD1 4.45Å; D229-I231 HydrophobicContact CB-CG1 4.46Å; D229-I231 PolarHBondContact O-N 2.93Å
230G95.4Very high95.8Very high15 Ų1572.2 Ų72.216%0.15537%0.372CS..THydrogen-bonded Turntrans68.813.5176.800000114.5K226 I227 C228 V252K226-G230 PolarHBondContact O-N 3.26Å; I227-G230 PolarHBondContact O-N 3.19Å; C228-G230 VanDerWaalsContact C-N 3.32Å; G230-V252 VanDerWaalsContact CA-CG2 3.5Å
231I94.6Very high96Very high137 Ų13770.6 Ų70.670%0.70336%0.364SS*.  trans-92.4115.9-178.5-59.1170.4000108.5D229D229-I231 HydrophobicContact CB-CD1 4.45Å; D229-I231 HydrophobicContact CB-CG1 4.46Å; D229-I231 PolarHBondContact O-N 2.93Å
232F96.9Very high96.2Very high29 Ų2967 Ų6713%0.12734%0.34CS..  trans-126152.6176.365-87.5000111.5Y206 P214 F215 L246 K247 L250Y206-F232 HydrophobicContact CD2-CD2 4.02Å; Y206-F232 HydrophobicContact CD2-CE2 4.2Å; Y206-F232 AromaticContact CE2-CD2 3.67Å; Y206-F232 HydrophobicContact CE2-CD2 3.67Å; Y206-F232 HydrophobicContact CE2-CE2 4.13Å; P214-F232 HydrophobicContact CB-CB 3.8Å; P214-F232 HydrophobicContact CB-CG 4.23Å; F215-F232 HydrophobicContact CD1-CB 4.5Å; F215-F232 HydrophobicContact CE1-CB 3.89Å; F215-F232 HydrophobicContact CE1-CD1 4.49Å; F215-F232 HydrophobicContact CZ-CB 4.13Å; F215-F232 HydrophobicContact CZ-CD1 4.09Å; F232-L246 HydrophobicContact CE2-CB 4.44Å; F232-L246 HydrophobicContact CZ-CB 4.13Å; F232-K247 HydrophobicContact CZ-CG 4.05Å; F232-L250 HydrophobicContact CD1-CD1 4.04Å; F232-L250 HydrophobicContact CE1-CB 4.02Å; F232-L250 HydrophobicContact CE1-CD1 3.82Å; F232-L250 HydrophobicContact CZ-CD1 4.11Å
233F97.1Very high96.3Very high149 Ų14965.1 Ų65.165%0.65433%0.329SS*.  trans-75.3133.8179.3176.9-109.2000111Y206 P235Y206-F233 VanDerWaalsContact CE2-O 3.25Å; Y206-F233 WeakPolarHBondContact CE2-O 3.45Å; Y206-F233 PolarHBondContact OH-O 3Å; F233-P235 HydrophobicContact CD1-CG 3.97Å; F233-P235 HydrophobicContact CE1-CB 4.05Å; F233-P235 HydrophobicContact CE1-CG 3.73Å
234T96.1Very high96.4Very high44 Ų4468.4 Ų68.427%0.2735%0.353SS..  trans-112107.1174.7-54.50000109.6L238 V243T234-L238 HydrophobicContact CG2-CD1 4.06Å; T234-V243 HydrophobicContact CG2-CB 4.14Å; T234-V243 HydrophobicContact CG2-CG1 3.64Å; T234-V243 HydrophobicContact CG2-CG2 3.34Å
235P95.3Very high96.5Very high11 Ų1165 Ų657%0.07134%0.338CS..  trans-61.1145.9176.2-21.630.1000113.1F233 Y237 L238F233-P235 HydrophobicContact CD1-CG 3.97Å; F233-P235 HydrophobicContact CE1-CB 4.05Å; F233-P235 HydrophobicContact CE1-CG 3.73Å; P235-Y237 HydrophobicContact CB-CD1 3.62Å; P235-Y237 HydrophobicContact CB-CD2 4.44Å; P235-Y237 HydrophobicContact CB-CE1 3.21Å; P235-Y237 HydrophobicContact CB-CE2 4.1Å; P235-Y237 HydrophobicContact CB-CG 4.22Å; P235-Y237 VanDerWaalsContact CB-CZ 3.46Å; P235-Y237 HydrophobicContact CG-CE1 3.9Å; P235-Y237 HydrophobicContact CG-CE2 4.45Å; P235-Y237 PolarHBondContact O-N 2.65Å; P235-Y237 VanDerWaalsContact O-N 3.17Å; P235-L238 HydrophobicContact CB-CG 4.44Å; P235-L238 HydrophobicContact CG-CD1 4.47Å; P235-L238 PolarHBondContact O-N 3.41Å; P235-L238 VanDerWaalsContact O-N 3.13Å
236Q94.6Very high96.6Very high202 Ų20258.5 Ų58.594%0.94431%0.31SS*.THydrogen-bonded Turntrans-64.4-20.9-177.9-65.9178.43.800114.1L238Q236-L238 VanDerWaalsContact C-N 3.28Å; Q236-L238 PolarHBondContact O-N 3Å
237Y95.7Very high96.6Very high117 Ų11760.1 Ų60.146%0.45932%0.317SS..THydrogen-bonded Turntrans-78.9-9.6178.562.2-105.7000113.4K111 P235K111-Y237 HydrophobicContact CD-CE2 3.99Å; P235-Y237 HydrophobicContact CB-CD1 3.62Å; P235-Y237 HydrophobicContact CB-CD2 4.44Å; P235-Y237 HydrophobicContact CB-CE1 3.21Å; P235-Y237 HydrophobicContact CB-CE2 4.1Å; P235-Y237 HydrophobicContact CB-CG 4.22Å; P235-Y237 VanDerWaalsContact CB-CZ 3.46Å; P235-Y237 HydrophobicContact CG-CE1 3.9Å; P235-Y237 HydrophobicContact CG-CE2 4.45Å; P235-Y237 PolarHBondContact O-N 2.65Å; P235-Y237 VanDerWaalsContact O-N 3.17Å
238L96.4Very high96.7Very high17 Ų1763 Ų639%0.08933%0.33CS..SBendtrans-75.8135.6178.3-66.9-175.1000110.8L209 T234 P235 Q236 V243 L246L209-L238 HydrophobicContact CB-CD2 3.87Å; T234-L238 HydrophobicContact CG2-CD1 4.06Å; P235-L238 HydrophobicContact CB-CG 4.44Å; P235-L238 HydrophobicContact CG-CD1 4.47Å; P235-L238 PolarHBondContact O-N 3.41Å; P235-L238 VanDerWaalsContact O-N 3.13Å; Q236-L238 VanDerWaalsContact C-N 3.28Å; Q236-L238 PolarHBondContact O-N 3Å; L238-V243 HydrophobicContact CB-CG2 3.66Å; L238-V243 HydrophobicContact CD1-CG2 4.27Å; L238-L246 HydrophobicContact CD1-CD1 4.44Å
239N93.5Very high96.8Very high55 Ų5560.8 Ų60.829%0.29432%0.315SS..  trans-58.2127.7173.5-178.3-23.3000110.5E114 S241 V242 V243E114-N239 PolarHBondContact OE1-ND2 3.07Å; N239-S241 PolarHBondContact O-N 3.42Å; N239-S241 WeakPolarHBondContact OD1-CB 3.44Å; N239-S241 PolarHBondContact OD1-N 2.75Å; N239-V242 HydrophobicContact CB-CG1 4.16Å; N239-V242 VanDerWaalsContact O-CG1 3.28Å; N239-V242 WeakPolarHBondContact O-CG1 3.49Å; N239-V242 PolarHBondContact O-N 2.88Å; N239-V242 VanDerWaalsContact O-N 3.08Å; N239-V243 WeakPolarHBondContact O-CG2 3.46Å; N239-V243 PolarHBondContact O-N 2.96Å; N239-V243 VanDerWaalsContact O-N 3.1Å
240P97Very high96.9Very high105 Ų10556.8 Ų56.868%0.68229%0.293SS*.Hα-helixtrans-52.3-31.7178.3-28.735.6000114.4V243 S244P240-V243 PolarHBondContact O-N 3.25Å; P240-S244 PolarHBondContact O-N 3.3Å
241S96.9Very high97.1Very high40 Ų4059.5 Ų59.528%0.2830%0.302SS..Hα-helixtrans-64.1-48.6177.7-173.40000111.7N239 V243 S244 L245 W268N239-S241 PolarHBondContact O-N 3.42Å; N239-S241 WeakPolarHBondContact OD1-CB 3.44Å; N239-S241 PolarHBondContact OD1-N 2.75Å; S241-V243 VanDerWaalsContact C-N 3.31Å; S241-V243 PolarHBondContact O-N 2.85Å; S241-S244 WeakPolarHBondContact O-CB 3.48Å; S241-S244 PolarHBondContact O-N 2.93Å; S241-L245 PolarHBondContact O-N 3.17Å; S241-W268 WeakPolarHBondContact OG-CB 3.49Å
242V97.9Very high97.2Very high0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-70-29.3176.776.20000112.8L205 L209 N239 S244 L245 L246 W268L205-V242 HydrophobicContact CD2-CG2 4.09Å; L209-V242 HydrophobicContact CD1-CB 4.49Å; L209-V242 HydrophobicContact CD1-CG1 4.05Å; L209-V242 HydrophobicContact CD1-CG2 3.58Å; N239-V242 HydrophobicContact CB-CG1 4.16Å; N239-V242 VanDerWaalsContact O-CG1 3.28Å; N239-V242 WeakPolarHBondContact O-CG1 3.49Å; N239-V242 PolarHBondContact O-N 2.88Å; N239-V242 VanDerWaalsContact O-N 3.08Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 3.04Å; V242-L245 PolarHBondContact O-N 2.95Å; V242-L246 WeakPolarHBondContact O-CB 3.48Å; V242-L246 WeakPolarHBondContact O-CG 3.3Å; V242-L246 PolarHBondContact O-N 2.93Å; V242-W268 HydrophobicContact CB-CD2 3.83Å; V242-W268 HydrophobicContact CB-CG 3.82Å; V242-W268 HydrophobicContact CB-CZ2 4.36Å; V242-W268 HydrophobicContact CG2-CD2 3.61Å; V242-W268 HydrophobicContact CG2-CE3 3.9Å; V242-W268 HydrophobicContact CG2-CG 4.13Å; V242-W268 HydrophobicContact CG2-CH2 4.06Å; V242-W268 HydrophobicContact CG2-CZ2 3.79Å; V242-W268 HydrophobicContact CG2-CZ3 4.11Å
243V98.3Very high97.2Very high17 Ų1757.1 Ų57.110%0.10329%0.293CS..Hα-helixtrans-63.4-39.9173173.50000111T234 L238 N239 P240 S241 L246 K247T234-V243 HydrophobicContact CG2-CB 4.14Å; T234-V243 HydrophobicContact CG2-CG1 3.64Å; T234-V243 HydrophobicContact CG2-CG2 3.34Å; L238-V243 HydrophobicContact CB-CG2 3.66Å; L238-V243 HydrophobicContact CD1-CG2 4.27Å; N239-V243 WeakPolarHBondContact O-CG2 3.46Å; N239-V243 PolarHBondContact O-N 2.96Å; N239-V243 VanDerWaalsContact O-N 3.1Å; P240-V243 PolarHBondContact O-N 3.25Å; S241-V243 VanDerWaalsContact C-N 3.31Å; S241-V243 PolarHBondContact O-N 2.85Å; V243-L246 PolarHBondContact O-N 3.08Å; V243-K247 HydrophobicContact CG1-CD 4.24Å; V243-K247 WeakPolarHBondContact O-CB 3.38Å; V243-K247 WeakPolarHBondContact O-CG 3.46Å; V243-K247 PolarHBondContact O-N 3.17Å
244S98.1Very high97.1Very high75 Ų7552.2 Ų52.252%0.52428%0.277SS..Hα-helixtrans-60.6-48174.1-168.80000111P240 S241 V242 L246 K247 H248P240-S244 PolarHBondContact O-N 3.3Å; S241-S244 WeakPolarHBondContact O-CB 3.48Å; S241-S244 PolarHBondContact O-N 2.93Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 3.04Å; S244-L246 PolarHBondContact O-N 2.71Å; S244-K247 PolarHBondContact O-N 3.26Å; S244-H248 PolarHBondContact O-N 3.11Å
245L98.6Very high97Very high1 Ų158.2 Ų58.21%0.00530%0.304CS..Hα-helixtrans-58.8-47.8176.5-179.559.6000112.2F121 L205 S241 V242 K247 H248 M249 I263 D266 W268F121-L245 HydrophobicContact CE1-CD2 4.37Å; L205-L245 HydrophobicContact CD2-CD2 4.13Å; S241-L245 PolarHBondContact O-N 3.17Å; V242-L245 PolarHBondContact O-N 2.95Å; L245-K247 VanDerWaalsContact C-N 3.35Å; L245-K247 PolarHBondContact O-N 3.43Å; L245-H248 WeakPolarHBondContact O-CB 3.3Å; L245-H248 PolarHBondContact O-N 3.47Å; L245-H248 VanDerWaalsContact O-N 3.09Å; L245-M249 HydrophobicContact CD1-CG 4.16Å; L245-M249 HydrophobicContact CD1-SD 4.15Å; L245-M249 HydrophobicContact CG-CG 4.5Å; L245-M249 HydrophobicContact CG-SD 4.1Å; L245-M249 WeakPolarHBondContact O-CG 3.41Å; L245-M249 PolarHBondContact O-N 2.75Å; L245-I263 HydrophobicContact CD1-CG1 4.11Å; L245-I263 HydrophobicContact CD1-CG2 4.4Å; L245-D266 HydrophobicContact CD1-CB 4.06Å; L245-W268 HydrophobicContact CD2-CE3 3.76Å; L245-W268 HydrophobicContact CD2-CZ3 4.3Å
246L98.8Very high97.1Very high0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-58.4-44.8176.8-78.7169.4000111.9G202 L205 Y206 L209 F232 L238 V242 V243 S244 H248 M249 L250G202-L246 WeakPolarHBondContact O-CD2 3.29Å; L205-L246 HydrophobicContact CB-CD2 4.07Å; L205-L246 HydrophobicContact CD2-CD2 3.93Å; L205-L246 HydrophobicContact CD2-CG 4.25Å; L205-L246 HydrophobicContact CG-CD2 3.94Å; Y206-L246 HydrophobicContact CD2-CD1 4.18Å; L209-L246 HydrophobicContact CD1-CD1 4.27Å; F232-L246 HydrophobicContact CE2-CB 4.44Å; F232-L246 HydrophobicContact CZ-CB 4.13Å; L238-L246 HydrophobicContact CD1-CD1 4.44Å; V242-L246 WeakPolarHBondContact O-CB 3.48Å; V242-L246 WeakPolarHBondContact O-CG 3.3Å; V242-L246 PolarHBondContact O-N 2.93Å; V243-L246 PolarHBondContact O-N 3.08Å; S244-L246 PolarHBondContact O-N 2.71Å; L246-H248 VanDerWaalsContact C-N 3.26Å; L246-H248 PolarHBondContact O-N 2.98Å; L246-M249 PolarHBondContact O-N 3.32Å; L246-L250 VanDerWaalsContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CB 3.05Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 2.96Å
247K98.3Very high97.3Very high111 Ų11154.7 Ų54.748%0.48328%0.284SS..Hα-helixtrans-64.3-31.4176.6-75.6176.7178178.50112.5F232 V243 S244 L245 Q251F232-K247 HydrophobicContact CZ-CG 4.05Å; V243-K247 HydrophobicContact CG1-CD 4.24Å; V243-K247 WeakPolarHBondContact O-CB 3.38Å; V243-K247 WeakPolarHBondContact O-CG 3.46Å; V243-K247 PolarHBondContact O-N 3.17Å; S244-K247 PolarHBondContact O-N 3.26Å; L245-K247 VanDerWaalsContact C-N 3.35Å; L245-K247 PolarHBondContact O-N 3.43Å; K247-Q251 WeakPolarHBondContact O-CG 3.45Å; K247-Q251 PolarHBondContact O-NE2 3.5Å
248H98.5Very high97.4Very high62 Ų6249.2 Ų49.229%0.28726%0.263SS..Hα-helixtrans-75.5-41.6177.5-165-163.3000111.5S244 L245 L246 Q251 K256 A258 E262S244-H248 PolarHBondContact O-N 3.11Å; L245-H248 WeakPolarHBondContact O-CB 3.3Å; L245-H248 PolarHBondContact O-N 3.47Å; L245-H248 VanDerWaalsContact O-N 3.09Å; L246-H248 VanDerWaalsContact C-N 3.26Å; L246-H248 PolarHBondContact O-N 2.98Å; H248-Q251 WeakPolarHBondContact O-CG 3.35Å; H248-K256 PolarHBondContact CD2-O 3.23Å; H248-A258 HydrophobicContact CB-CB 4.15Å; H248-A258 PolarHBondContact O-N 2.87Å; H248-E262 IonicContact CE1-OE2 3.1Å
249M98.8Very high97.4Very high0 Ų051.7 Ų51.70%028%0.279CS..Hα-helixtrans-71.5-32.8176.8-68.6-178.973.700113.7F121 I125 I198 G202 L205 L245 L246 Q251 R257 A258 I263F121-M249 HydrophobicContact CE1-SD 4.39Å; F121-M249 HydrophobicContact CE2-CE 4.1Å; F121-M249 HydrophobicContact CZ-CE 3.57Å; F121-M249 HydrophobicContact CZ-SD 3.67Å; I125-M249 HydrophobicContact CD1-CE 4.42Å; I198-M249 HydrophobicContact CG2-CB 4.26Å; I198-M249 HydrophobicContact CG2-CE 3.88Å; I198-M249 HydrophobicContact CG2-CG 4.14Å; I198-M249 WeakPolarHBondContact O-CE 3.47Å; G202-M249 VanDerWaalsContact N-CE 3.28Å; L205-M249 HydrophobicContact CD2-SD 4.45Å; L245-M249 HydrophobicContact CD1-CG 4.16Å; L245-M249 HydrophobicContact CD1-SD 4.15Å; L245-M249 HydrophobicContact CG-CG 4.5Å; L245-M249 HydrophobicContact CG-SD 4.1Å; L245-M249 WeakPolarHBondContact O-CG 3.41Å; L245-M249 PolarHBondContact O-N 2.75Å; L246-M249 PolarHBondContact O-N 3.32Å; M249-Q251 VanDerWaalsContact C-N 3.35Å; M249-R257 VanDerWaalsContact O-CD 3.29Å; M249-R257 WeakPolarHBondContact O-CD 3.38Å; M249-R257 WeakPolarHBondContact O-CG 3.38Å; M249-A258 HydrophobicContact CG-CB 3.99Å; M249-I263 HydrophobicContact CE-CD1 3.83Å; M249-I263 HydrophobicContact CG-CD1 4.02Å; M249-I263 HydrophobicContact CG-CG1 4.17Å; M249-I263 HydrophobicContact SD-CD1 4.05Å; M249-I263 HydrophobicContact SD-CG1 4.34Å
250L98.7Very high97.5Very high5 Ų549.9 Ų49.93%0.02627%0.269CS..THydrogen-bonded Turntrans-98.129.6-179.9-59.6178.4000112.4W199 V203 F215 F232 L246 V252W199-L250 HydrophobicContact CD2-CD2 3.96Å; W199-L250 HydrophobicContact CE3-CD2 4.15Å; W199-L250 HydrophobicContact CG-CD2 4.37Å; W199-L250 HydrophobicContact CZ2-CD2 4.44Å; W199-L250 VanDerWaalsContact CZ3-C 3.46Å; W199-L250 HydrophobicContact CZ3-CB 4.24Å; W199-L250 HydrophobicContact CZ3-CD2 4.5Å; W199-L250 VanDerWaalsContact CZ3-O 3.29Å; W199-L250 WeakPolarHBondContact CZ3-O 3.47Å; V203-L250 HydrophobicContact CG2-CD2 3.92Å; F215-L250 HydrophobicContact CE2-CD1 4.4Å; F232-L250 HydrophobicContact CD1-CD1 4.04Å; F232-L250 HydrophobicContact CE1-CB 4.02Å; F232-L250 HydrophobicContact CE1-CD1 3.82Å; F232-L250 HydrophobicContact CZ-CD1 4.11Å; L246-L250 VanDerWaalsContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CB 3.05Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 2.96Å; L250-V252 PolarHBondContact O-N 3.08Å
251Q98.4Very high97.3Very high73 Ų7351.6 Ų51.634%0.34127%0.266SS..  trans-68.3129.6167.8-74.2-62.9-42.200110.6W199 K247 H248 M249 D253 K256 R257W199-Q251 WeakPolarHBondContact CZ3-O 3.44Å; K247-Q251 WeakPolarHBondContact O-CG 3.45Å; K247-Q251 PolarHBondContact O-NE2 3.5Å; H248-Q251 WeakPolarHBondContact O-CG 3.35Å; M249-Q251 VanDerWaalsContact C-N 3.35Å; Q251-D253 VanDerWaalsContact C-N 3.34Å; Q251-K256 HydrophobicContact CG-CB 4.47Å; Q251-R257 HydrophobicContact CB-CB 4.15Å; Q251-R257 HydrophobicContact CB-CG 4.46Å; Q251-R257 PolarHBondContact O-NE 3.1Å; Q251-R257 PolarHBondContact O-NH2 3.09Å
252V97.9Very high97.3Very high51 Ų5153.4 Ų53.431%0.30927%0.27SS..SBendtrans-66.3-39.6177.81750000111.1P183 W199 C228 G230 L250 P254 R257P183-V252 HydrophobicContact CB-CG1 4.09Å; P183-V252 HydrophobicContact CG-CB 4.44Å; P183-V252 HydrophobicContact CG-CG1 4.08Å; P183-V252 HydrophobicContact CG-CG2 4.37Å; W199-V252 HydrophobicContact CH2-CG2 4.47Å; C228-V252 WeakPolarHBondContact O-CG1 3.47Å; G230-V252 VanDerWaalsContact CA-CG2 3.5Å; L250-V252 PolarHBondContact O-N 3.08Å; V252-P254 VanDerWaalsContact O-CD 3.26Å; V252-P254 WeakPolarHBondContact O-CD 3.29Å; V252-R257 PolarHBondContact O-NH2 3.15Å
253D95.6Very high97.3Very high64 Ų6453.4 Ų53.434%0.34227%0.27SS..SBendtrans-73.8111.7174.3-175.8-6.9000109.5Q251 M255 K256 R257Q251-D253 VanDerWaalsContact C-N 3.34Å; D253-M255 PolarHBondContact O-N 3.41Å; D253-M255 VanDerWaalsContact O-N 3.17Å; D253-M255 WeakPolarHBondContact OD1-CB 3.49Å; D253-M255 PolarHBondContact OD1-N 3.05Å; D253-M255 VanDerWaalsContact OD1-N 3.07Å; D253-K256 HydrophobicContact CB-CB 4.31Å; D253-K256 HydrophobicContact CB-CD 4.23Å; D253-K256 HydrophobicContact CB-CG 4.25Å; D253-K256 PolarHBondContact O-N 3.4Å; D253-K256 WeakPolarHBondContact OD2-CE 3.45Å; D253-R257 PolarHBondContact O-N 3.44Å
254P95.9Very high97.1Very high47 Ų4756.2 Ų56.231%0.30528%0.278SS..G310 helixtrans-61.8-25.3-177.625.4-34.3000112.8E195 V252 K256 R257E195-P254 HydrophobicContact CB-CB 4.49Å; E195-P254 HydrophobicContact CG-CB 3.89Å; V252-P254 VanDerWaalsContact O-CD 3.26Å; V252-P254 WeakPolarHBondContact O-CD 3.29Å; P254-K256 VanDerWaalsContact C-N 3.27Å; P254-K256 PolarHBondContact O-N 2.95Å; P254-R257 WeakPolarHBondContact O-CB 3.4Å; P254-R257 PolarHBondContact O-N 2.94Å
255M94.3Very high97Very high170 Ų17057.6 Ų57.684%0.83728%0.277SS*.G310 helixtrans-75.8-16.2178.8-63.8-58.8-57.400113.3D253D253-M255 PolarHBondContact O-N 3.41Å; D253-M255 VanDerWaalsContact O-N 3.17Å; D253-M255 WeakPolarHBondContact OD1-CB 3.49Å; D253-M255 PolarHBondContact OD1-N 3.05Å; D253-M255 VanDerWaalsContact OD1-N 3.07Å
256K96.6Very high96.9Very high132 Ų13258.9 Ų58.957%0.57428%0.284SS*.G310 helixtrans-107.1-1.8175.6-59.9-178.8-174.7175.80112.2H248 Q251 D253 P254H248-K256 PolarHBondContact CD2-O 3.23Å; Q251-K256 HydrophobicContact CG-CB 4.47Å; D253-K256 HydrophobicContact CB-CB 4.31Å; D253-K256 HydrophobicContact CB-CD 4.23Å; D253-K256 HydrophobicContact CB-CG 4.25Å; D253-K256 PolarHBondContact O-N 3.4Å; D253-K256 WeakPolarHBondContact OD2-CE 3.45Å; P254-K256 VanDerWaalsContact C-N 3.27Å; P254-K256 PolarHBondContact O-N 2.95Å
257R98.4Very high96.9Very high7 Ų764.8 Ų64.83%0.02632%0.315CS..SBendtrans-75.6139.9-179-166.9179.4-60145.15.2109.1E184 E195 M249 Q251 V252 D253 P254 T259E184-R257 IonicContact OE1-CZ 2.78Å; E184-R257 IonicContact OE1-NH1 3.17Å; E184-R257 PolarHBondContact OE1-NH1 3.39Å; E184-R257 IonicContact OE1-NH2 2.9Å; E184-R257 PolarHBondContact OE1-NH2 3.03Å; E184-R257 IonicContact OE2-CZ 3.72Å; E184-R257 IonicContact OE2-NH1 2.79Å; E184-R257 IonicContact OE2-NH2 2.77Å; E184-R257 PolarHBondContact OE2-NH2 2.92Å; E195-R257 WeakPolarHBondContact O-CD 3.49Å; E195-R257 PolarHBondContact O-NH1 2.96Å; M249-R257 VanDerWaalsContact O-CD 3.29Å; M249-R257 WeakPolarHBondContact O-CD 3.38Å; M249-R257 WeakPolarHBondContact O-CG 3.38Å; Q251-R257 HydrophobicContact CB-CB 4.15Å; Q251-R257 HydrophobicContact CB-CG 4.46Å; Q251-R257 PolarHBondContact O-NE 3.1Å; Q251-R257 PolarHBondContact O-NH2 3.09Å; V252-R257 PolarHBondContact O-NH2 3.15Å; D253-R257 PolarHBondContact O-N 3.44Å; P254-R257 WeakPolarHBondContact O-CB 3.4Å; P254-R257 PolarHBondContact O-N 2.94Å; R257-T259 PolarHBondContact O-N 3.16Å
258A98.2Very high96.9Very high2 Ų259.6 Ų59.62%0.01729%0.293CS..PPolyproline II helixtrans-50.7138.4177.800000111.1I198 H248 M249 E262 I263I198-A258 WeakPolarHBondContact CG2-O 3.37Å; H248-A258 HydrophobicContact CB-CB 4.15Å; H248-A258 PolarHBondContact O-N 2.87Å; M249-A258 HydrophobicContact CG-CB 3.99Å; A258-E262 WeakPolarHBondContact CA-OE2 3.5Å; A258-I263 HydrophobicContact CB-CD1 4.39Å; A258-I263 HydrophobicContact CB-CG1 4Å
259T97.1Very high96.9Very high69 Ų6956.7 Ų56.742%0.42328%0.279SS..PPolyproline II helixtrans-92.8163.2167.262.30000109.9R257 K261 E262 I263R257-T259 PolarHBondContact O-N 3.16Å; T259-K261 PolarHBondContact O-N 3.2Å; T259-E262 WeakPolarHBondContact CB-OE2 3.29Å; T259-E262 PolarHBondContact N-OE2 2.92Å; T259-E262 PolarHBondContact O-N 2.94Å; T259-E262 VanDerWaalsContact O-N 3.14Å; T259-E262 WeakPolarHBondContact OG1-CG 3.37Å; T259-E262 PolarHBondContact OG1-N 3.07Å; T259-E262 PolarHBondContact OG1-OE2 3.04Å; T259-I263 WeakPolarHBondContact O-CG1 3.38Å; T259-I263 PolarHBondContact O-N 3.44Å
260I94.7Very high96.8Very high16 Ų1661.4 Ų61.48%0.08230%0.299CS..Hα-helixtrans-56.6-37173.5-68-175.9000111.5I125 V128 D129 H132 I198 I263 R264I125-I260 HydrophobicContact CG2-CG2 4.36Å; V128-I260 HydrophobicContact CG1-CD1 4.14Å; D129-I260 VanDerWaalsContact CA-CD1 3.44Å; D129-I260 HydrophobicContact CB-CD1 3.82Å; D129-I260 HydrophobicContact CB-CG2 3.82Å; H132-I260 WeakPolarHBondContact ND1-CD1 3.31Å; I198-I260 HydrophobicContact CD1-CD1 4.17Å; I198-I260 HydrophobicContact CD1-CG1 3.39Å; I198-I260 HydrophobicContact CG1-CG1 4.46Å; I260-I263 PolarHBondContact O-N 3.14Å; I260-R264 HydrophobicContact CG2-CG 4.27Å; I260-R264 WeakPolarHBondContact O-CB 3.37Å; I260-R264 VanDerWaalsContact O-CG 3.25Å; I260-R264 WeakPolarHBondContact O-CG 3.34Å; I260-R264 PolarHBondContact O-N 3.25Å
261K93.3Very high96.7Very high141 Ų14165.6 Ų65.661%0.61332%0.319SS*.Hα-helixtrans-59.9-49.7176.9-175.3-175.2172.2-168.40110.8T259 I263 R264 E265T259-K261 PolarHBondContact O-N 3.2Å; K261-I263 PolarHBondContact O-N 2.95Å; K261-R264 PolarHBondContact O-N 3.19Å; K261-E265 WeakPolarHBondContact CE-OE1 3.41Å; K261-E265 WeakPolarHBondContact O-CG 3.36Å; K261-E265 PolarHBondContact O-N 3.31Å
262E95.9Very high96.6Very high78 Ų7867.5 Ų67.536%0.36433%0.331SS..Hα-helixtrans-65.5-37.7178.7-69.2159.4149.600111.9H248 A258 T259 R264 E265 D266H248-E262 IonicContact CE1-OE2 3.1Å; A258-E262 WeakPolarHBondContact CA-OE2 3.5Å; T259-E262 WeakPolarHBondContact CB-OE2 3.29Å; T259-E262 PolarHBondContact N-OE2 2.92Å; T259-E262 PolarHBondContact O-N 2.94Å; T259-E262 VanDerWaalsContact O-N 3.14Å; T259-E262 WeakPolarHBondContact OG1-CG 3.37Å; T259-E262 PolarHBondContact OG1-N 3.07Å; T259-E262 PolarHBondContact OG1-OE2 3.04Å; E262-R264 PolarHBondContact O-N 2.97Å; E262-E265 CarbonylContact O-C 3.55Å; E262-E265 PolarHBondContact O-N 2.87Å; E262-E265 VanDerWaalsContact O-N 3.16Å; E262-D266 PolarHBondContact O-N 3.28Å
263I98.2Very high96.6Very high0 Ų067.4 Ų67.40%033%0.329CS..Hα-helixtrans-62.2-43.2174.3-65164.8000110.8F121 I125 I198 L245 M249 A258 T259 I260 K261 E265 D266 F269F121-I263 HydrophobicContact CE1-CG2 4.29Å; I125-I263 HydrophobicContact CD1-CD1 4.49Å; I125-I263 HydrophobicContact CG1-CG2 4.46Å; I125-I263 HydrophobicContact CG2-CG2 4.3Å; I198-I263 HydrophobicContact CD1-CD1 3.74Å; I198-I263 HydrophobicContact CG2-CD1 3.87Å; L245-I263 HydrophobicContact CD1-CG1 4.11Å; L245-I263 HydrophobicContact CD1-CG2 4.4Å; M249-I263 HydrophobicContact CE-CD1 3.83Å; M249-I263 HydrophobicContact CG-CD1 4.02Å; M249-I263 HydrophobicContact CG-CG1 4.17Å; M249-I263 HydrophobicContact SD-CD1 4.05Å; M249-I263 HydrophobicContact SD-CG1 4.34Å; A258-I263 HydrophobicContact CB-CD1 4.39Å; A258-I263 HydrophobicContact CB-CG1 4Å; T259-I263 WeakPolarHBondContact O-CG1 3.38Å; T259-I263 PolarHBondContact O-N 3.44Å; I260-I263 PolarHBondContact O-N 3.14Å; K261-I263 PolarHBondContact O-N 2.95Å; I263-E265 PolarHBondContact O-N 3.26Å; I263-D266 VanDerWaalsContact O-CB 3.3Å; I263-D266 WeakPolarHBondContact O-CB 3.47Å; I263-D266 PolarHBondContact O-N 3.37Å; I263-D266 VanDerWaalsContact O-N 3.16Å; I263-F269 HydrophobicContact CG2-CD2 3.72Å; I263-F269 HydrophobicContact CG2-CE2 3.98Å; I263-F269 HydrophobicContact CG2-CG 4.06Å; I263-F269 WeakPolarHBondContact O-CB 3.39Å; I263-F269 WeakPolarHBondContact O-CD1 3.41Å; I263-F269 WeakPolarHBondContact O-CG 3.43Å
264R95.2Very high96.4Very high76 Ų7666.4 Ų66.429%0.28733%0.326SS..Hα-helixtrans-66.2-26.1176.6-71.8170.863-167.4-2.9112.5I260 K261 E262 F269 K270 F278I260-R264 HydrophobicContact CG2-CG 4.27Å; I260-R264 WeakPolarHBondContact O-CB 3.37Å; I260-R264 VanDerWaalsContact O-CG 3.25Å; I260-R264 WeakPolarHBondContact O-CG 3.34Å; I260-R264 PolarHBondContact O-N 3.25Å; K261-R264 PolarHBondContact O-N 3.19Å; E262-R264 PolarHBondContact O-N 2.97Å; R264-F269 HydrophobicContact CG-CE1 4.2Å; R264-K270 VanDerWaalsContact O-CE 3.31Å; R264-K270 WeakPolarHBondContact O-CE 3.5Å; R264-K270 WeakPolarHBondContact O-CG 3.34Å; R264-F278 HydrophobicContact CG-CD1 4.22Å; R264-F278 HydrophobicContact CG-CE1 4.01Å; R264-F278 HydrophobicContact CG-CE2 4.41Å; R264-F278 HydrophobicContact CG-CG 4.48Å; R264-F278 HydrophobicContact CG-CZ 4.12Å
265E94.9Very high96.1Very high105 Ų10573.3 Ų73.349%0.49135%0.351SS..Hα-helixtrans-87.1-5.9176.8-72.3171.7-172.300113.1K261 E262 I263 K270K261-E265 WeakPolarHBondContact CE-OE1 3.41Å; K261-E265 WeakPolarHBondContact O-CG 3.36Å; K261-E265 PolarHBondContact O-N 3.31Å; E262-E265 CarbonylContact O-C 3.55Å; E262-E265 PolarHBondContact O-N 2.87Å; E262-E265 VanDerWaalsContact O-N 3.16Å; I263-E265 PolarHBondContact O-N 3.26Å; E265-K270 WeakPolarHBondContact O-CE 3.33Å; E265-K270 PolarHBondContact O-NZ 3.04Å
266D97.9Very high95.8Very high28 Ų2870.8 Ų70.815%0.1533%0.333CS..  trans-73.7138.7178.1-176.9-90000112.7L245 E262 I263 W268 F269 K270L245-D266 HydrophobicContact CD1-CB 4.06Å; E262-D266 PolarHBondContact O-N 3.28Å; I263-D266 VanDerWaalsContact O-CB 3.3Å; I263-D266 WeakPolarHBondContact O-CB 3.47Å; I263-D266 PolarHBondContact O-N 3.37Å; I263-D266 VanDerWaalsContact O-N 3.16Å; D266-W268 PolarHBondContact O-N 3.13Å; D266-W268 WeakPolarHBondContact OD1-CA 3.24Å; D266-W268 WeakPolarHBondContact OD1-CB 3.31Å; D266-W268 PolarHBondContact OD1-N 3.36Å; D266-F269 HydrophobicContact CB-CB 4.12Å; D266-F269 PolarHBondContact O-N 3.37Å; D266-F269 PolarHBondContact OD1-N 3.24Å; D266-K270 WeakPolarHBondContact O-CG 3.46Å; D266-K270 PolarHBondContact O-N 3.49Å
267D97.2Very high95.4Very high123 Ų12364.8 Ų64.866%0.65831%0.307SS*.Hα-helixtrans-67.3-35.6-175.3-69.6-25.5000113F269D267-F269 VanDerWaalsContact C-N 3.32Å
268W98.3Very high94.9Very high3 Ų365.1 Ų65.11%0.01131%0.309CS..Hα-helixtrans-67.4-38.5175.7-174.884.7000110.9E114 R118 F121 L205 L209 S241 V242 L245 D266E114-W268 HydrophobicContact CG-CZ2 3.92Å; E114-W268 PolarHBondContact OE1-NE1 3.34Å; R118-W268 VanDerWaalsContact CA-CH2 3.46Å; R118-W268 HydrophobicContact CB-CH2 3.55Å; R118-W268 HydrophobicContact CB-CZ2 3.7Å; R118-W268 HydrophobicContact CB-CZ3 4.15Å; R118-W268 VanDerWaalsContact CD-O 3.22Å; R118-W268 WeakPolarHBondContact CD-O 3.39Å; R118-W268 HydrophobicContact CG-CE3 4.31Å; R118-W268 HydrophobicContact CG-CH2 3.88Å; R118-W268 HydrophobicContact CG-CZ2 4.17Å; R118-W268 HydrophobicContact CG-CZ3 3.95Å; R118-W268 PolarHBondContact NE-O 2.84Å; F121-W268 AromaticContact CD1-CZ3 3.98Å; F121-W268 HydrophobicContact CD1-CZ3 3.98Å; L205-W268 HydrophobicContact CD1-CH2 3.65Å; L205-W268 HydrophobicContact CD1-CZ3 3.96Å; L205-W268 HydrophobicContact CD2-CZ3 4.28Å; L209-W268 HydrophobicContact CD2-CZ2 4.45Å; S241-W268 WeakPolarHBondContact OG-CB 3.49Å; V242-W268 HydrophobicContact CB-CD2 3.83Å; V242-W268 HydrophobicContact CB-CG 3.82Å; V242-W268 HydrophobicContact CB-CZ2 4.36Å; V242-W268 HydrophobicContact CG2-CD2 3.61Å; V242-W268 HydrophobicContact CG2-CE3 3.9Å; V242-W268 HydrophobicContact CG2-CG 4.13Å; V242-W268 HydrophobicContact CG2-CH2 4.06Å; V242-W268 HydrophobicContact CG2-CZ2 3.79Å; V242-W268 HydrophobicContact CG2-CZ3 4.11Å; L245-W268 HydrophobicContact CD2-CE3 3.76Å; L245-W268 HydrophobicContact CD2-CZ3 4.3Å; D266-W268 PolarHBondContact O-N 3.13Å; D266-W268 WeakPolarHBondContact OD1-CA 3.24Å; D266-W268 WeakPolarHBondContact OD1-CB 3.31Å; D266-W268 PolarHBondContact OD1-N 3.36Å
269F98.4Very high93.6Very high0 Ų067 Ų670%032%0.321CS..Hα-helixtrans-71.4-39.7-178.7-172.5-91.3000113F121 Q122 I125 I263 R264 D266 D267 Q271 L273 F278F121-F269 AromaticContact CD1-CD2 3.88Å; F121-F269 HydrophobicContact CD1-CD2 3.88Å; F121-F269 AromaticContact CD1-CE2 3.9Å; F121-F269 HydrophobicContact CD1-CE2 3.9Å; F121-F269 AromaticContact CE1-CD2 3.87Å; F121-F269 HydrophobicContact CE1-CD2 3.87Å; F121-F269 AromaticContact CE1-CE2 3.98Å; F121-F269 HydrophobicContact CE1-CE2 3.98Å; Q122-F269 HydrophobicContact CB-CE2 4.23Å; Q122-F269 HydrophobicContact CB-CZ 4.14Å; Q122-F269 HydrophobicContact CG-CD2 4.18Å; Q122-F269 HydrophobicContact CG-CE1 4.33Å; Q122-F269 HydrophobicContact CG-CE2 3.79Å; Q122-F269 HydrophobicContact CG-CZ 3.88Å; Q122-F269 PolarHBondContact NE2-O 3.49Å; I125-F269 HydrophobicContact CB-CE2 3.95Å; I125-F269 HydrophobicContact CB-CZ 4.03Å; I125-F269 HydrophobicContact CG1-CE2 3.99Å; I125-F269 HydrophobicContact CG2-CE2 4.22Å; I125-F269 HydrophobicContact CG2-CZ 4.03Å; I263-F269 HydrophobicContact CG2-CD2 3.72Å; I263-F269 HydrophobicContact CG2-CE2 3.98Å; I263-F269 HydrophobicContact CG2-CG 4.06Å; I263-F269 WeakPolarHBondContact O-CB 3.39Å; I263-F269 WeakPolarHBondContact O-CD1 3.41Å; I263-F269 WeakPolarHBondContact O-CG 3.43Å; R264-F269 HydrophobicContact CG-CE1 4.2Å; D266-F269 HydrophobicContact CB-CB 4.12Å; D266-F269 PolarHBondContact O-N 3.37Å; D266-F269 PolarHBondContact OD1-N 3.24Å; D267-F269 VanDerWaalsContact C-N 3.32Å; F269-Q271 PolarHBondContact O-N 3.24Å; F269-L273 HydrophobicContact CD1-CD2 4.3Å; F269-L273 HydrophobicContact CE1-CD1 3.88Å; F269-L273 HydrophobicContact CE1-CD2 4.04Å; F269-L273 HydrophobicContact CZ-CD1 4.36Å; F269-F278 HydrophobicContact CE1-CD2 4.42Å; F269-F278 AromaticContact CE1-CE2 3.59Å; F269-F278 HydrophobicContact CE1-CE2 3.59Å; F269-F278 HydrophobicContact CE1-CZ 4.06Å; F269-F278 AromaticContact CZ-CE2 3.59Å; F269-F278 HydrophobicContact CZ-CE2 3.59Å; F269-F278 AromaticContact CZ-CZ 3.76Å; F269-F278 HydrophobicContact CZ-CZ 3.76Å
270K96.9Very high91.8Very high99 Ų9972.9 Ų72.943%0.4334%0.344SS..Hα-helixtrans-67-22.2-179-73175.6-161.31550114.1R264 E265 D266 D272 L273R264-K270 VanDerWaalsContact O-CE 3.31Å; R264-K270 WeakPolarHBondContact O-CE 3.5Å; R264-K270 WeakPolarHBondContact O-CG 3.34Å; E265-K270 WeakPolarHBondContact O-CE 3.33Å; E265-K270 PolarHBondContact O-NZ 3.04Å; D266-K270 WeakPolarHBondContact O-CG 3.46Å; D266-K270 PolarHBondContact O-N 3.49Å; K270-D272 PolarHBondContact O-N 2.83Å; K270-L273 VanDerWaalsContact O-CB 3.26Å; K270-L273 WeakPolarHBondContact O-CB 3.45Å; K270-L273 PolarHBondContact O-N 2.98Å; K270-L273 VanDerWaalsContact O-N 3.16Å
271Q97.6Very high89.6Confident94 Ų9473.4 Ų73.444%0.43935%0.347SS..THydrogen-bonded Turntrans-59.7126.4-177.1-173.6177.73.200111.1R118 Q122 F269 L273R118-Q271 WeakPolarHBondContact CD-O 3.44Å; R118-Q271 VanDerWaalsContact NH1-CD 3.35Å; Q122-Q271 PolarHBondContact NE2-O 2.82Å; F269-Q271 PolarHBondContact O-N 3.24Å; Q271-L273 PolarHBondContact O-N 3.34Å; Q271-L273 VanDerWaalsContact O-N 3.09Å
272D96.8Very high87.5Confident112 Ų11270.9 Ų70.960%0.59935%0.345SS*.THydrogen-bonded Turntrans5423.7-178.7-56.2-39.7000114.4K270 P274K270-D272 PolarHBondContact O-N 2.83Å; D272-P274 WeakPolarHBondContact O-CD 3.4Å
273L96.3Very high84.9Confident49 Ų4968.9 Ų68.926%0.25734%0.34SS..  trans-67.3117.1-175.4179.565.3000111.8Q122 F269 K270 Q271 K275 L277 F278Q122-L273 HydrophobicContact CB-CD1 3.97Å; Q122-L273 HydrophobicContact CG-CD1 3.68Å; F269-L273 HydrophobicContact CD1-CD2 4.3Å; F269-L273 HydrophobicContact CE1-CD1 3.88Å; F269-L273 HydrophobicContact CE1-CD2 4.04Å; F269-L273 HydrophobicContact CZ-CD1 4.36Å; K270-L273 VanDerWaalsContact O-CB 3.26Å; K270-L273 WeakPolarHBondContact O-CB 3.45Å; K270-L273 PolarHBondContact O-N 2.98Å; K270-L273 VanDerWaalsContact O-N 3.16Å; Q271-L273 PolarHBondContact O-N 3.34Å; Q271-L273 VanDerWaalsContact O-N 3.09Å; L273-K275 PolarHBondContact O-N 2.82Å; L273-L277 HydrophobicContact CD1-CD1 3.97Å; L273-F278 HydrophobicContact CD1-CD2 4.12Å; L273-F278 HydrophobicContact CD1-CE2 3.99Å; L273-F278 HydrophobicContact CD2-CD2 4.15Å
274P93Very high82.2Confident43 Ų4377.8 Ų77.828%0.27937%0.374SS..  trans-67.8129.3175.9-21.434.3000112.1D272 Y276 L277D272-P274 WeakPolarHBondContact O-CD 3.4Å; P274-Y276 HydrophobicContact CB-CD1 3.51Å; P274-Y276 HydrophobicContact CB-CE1 3.33Å; P274-Y276 HydrophobicContact CG-CE1 4.06Å; P274-Y276 PolarHBondContact O-N 2.78Å; P274-Y276 VanDerWaalsContact O-N 3.1Å; P274-L277 HydrophobicContact CB-CD1 4.41Å; P274-L277 HydrophobicContact CB-CG 4.36Å; P274-L277 HydrophobicContact CG-CD1 4.23Å; P274-L277 WeakPolarHBondContact O-CB 3.47Å; P274-L277 PolarHBondContact O-N 3.11Å; P274-L277 VanDerWaalsContact O-N 3.14Å
275K88.4Confident79.8Confident193 Ų19376 Ų7684%0.83937%0.374SS*.G310 helixtrans-58.6-26.9-177-63.9-172.4177-1710114.6L273 L277 F278L273-K275 PolarHBondContact O-N 2.82Å; K275-L277 PolarHBondContact O-N 2.84Å; K275-F278 CarbonylContact O-C 3.58Å
276Y87.7Confident77.2Confident117 Ų11777.8 Ų77.846%0.45939%0.387SS..G310 helixtrans-70-18.3-178.778.8-93000113.7P75 H76 P274P75-Y276 HydrophobicContact CG-CE2 4.33Å; H76-Y276 AromaticContact NE2-CE2 3.5Å; H76-Y276 WeakPolarHBondContact NE2-CE2 3.49Å; H76-Y276 AromaticContact NE2-CZ 3.86Å; H76-Y276 PolarHBondContact NE2-OH 3.09Å; P274-Y276 HydrophobicContact CB-CD1 3.51Å; P274-Y276 HydrophobicContact CB-CE1 3.33Å; P274-Y276 HydrophobicContact CG-CE1 4.06Å; P274-Y276 PolarHBondContact O-N 2.78Å; P274-Y276 VanDerWaalsContact O-N 3.1Å
277L89.9Confident74.8Confident5 Ų582.6 Ų82.63%0.02641%0.412CS..G310 helixtrans-73.9-33-178.1-69.9-178.6000112.7H76 Q122 Q123 S126 L273 P274 K275H76-L277 VanDerWaalsContact CD2-CD2 3.47Å; H76-L277 WeakPolarHBondContact CD2-CD2 3.02Å; H76-L277 VanDerWaalsContact NE2-CD2 3.34Å; H76-L277 WeakPolarHBondContact NE2-CD2 3.42Å; Q122-L277 HydrophobicContact CB-CD1 3.67Å; Q123-L277 HydrophobicContact CG-CD1 4.49Å; Q123-L277 HydrophobicContact CG-CD2 4.17Å; S126-L277 WeakPolarHBondContact CB-O 3.43Å; S126-L277 PolarHBondContact OG-O 2.97Å; L273-L277 HydrophobicContact CD1-CD1 3.97Å; P274-L277 HydrophobicContact CB-CD1 4.41Å; P274-L277 HydrophobicContact CB-CG 4.36Å; P274-L277 HydrophobicContact CG-CD1 4.23Å; P274-L277 WeakPolarHBondContact O-CB 3.47Å; P274-L277 PolarHBondContact O-N 3.11Å; P274-L277 VanDerWaalsContact O-N 3.14Å; K275-L277 PolarHBondContact O-N 2.84Å
278F87.5Confident72.9Confident14 Ų1479.2 Ų79.26%0.06139%0.393CS..SBendtrans-136.774.5178-56.6-80.9000108.1I125 D129 R264 F269 L273 K275 E280I125-F278 HydrophobicContact CB-CZ 4.35Å; I125-F278 HydrophobicContact CG2-CE1 4.35Å; I125-F278 HydrophobicContact CG2-CZ 3.89Å; D129-F278 HydrophobicContact CB-CE1 3.99Å; D129-F278 WeakPolarHBondContact OD2-CD1 3.49Å; R264-F278 HydrophobicContact CG-CD1 4.22Å; R264-F278 HydrophobicContact CG-CE1 4.01Å; R264-F278 HydrophobicContact CG-CE2 4.41Å; R264-F278 HydrophobicContact CG-CG 4.48Å; R264-F278 HydrophobicContact CG-CZ 4.12Å; F269-F278 HydrophobicContact CE1-CD2 4.42Å; F269-F278 AromaticContact CE1-CE2 3.59Å; F269-F278 HydrophobicContact CE1-CE2 3.59Å; F269-F278 HydrophobicContact CE1-CZ 4.06Å; F269-F278 AromaticContact CZ-CE2 3.59Å; F269-F278 HydrophobicContact CZ-CE2 3.59Å; F269-F278 AromaticContact CZ-CZ 3.76Å; F269-F278 HydrophobicContact CZ-CZ 3.76Å; L273-F278 HydrophobicContact CD1-CD2 4.12Å; L273-F278 HydrophobicContact CD1-CE2 3.99Å; L273-F278 HydrophobicContact CD2-CD2 4.15Å; K275-F278 CarbonylContact O-C 3.58Å; F278-E280 PolarHBondContact O-N 2.87Å
279P71.4Confident71.3Confident42 Ų4280 Ų8027%0.27340%0.397SS..  trans-58.6127.717826.4-33000108.4D281P279-D281 PolarHBondContact O-N 3.28Å
280E57.6Low70Confident192 Ų19282.4 Ų82.490%0.89741%0.41SS*.SBendtrans-62.7-21.7176-68.4177.3174.800111.4F278F278-E280 PolarHBondContact O-N 2.87Å
281D49.2Very low68.9Low27 Ų2781.5 Ų81.514%0.14441%0.41CS..SBendtrans-118.6117.3-176.7-148-32.7000108.6P279 S283 Y284 R333P279-D281 PolarHBondContact O-N 3.28Å; D281-S283 PolarHBondContact O-N 3.44Å; D281-S283 PolarHBondContact OD1-OG 3.3Å; D281-S283 PolarHBondContact OD2-OG 2.97Å; D281-Y284 PolarHBondContact O-N 2.8Å; D281-R333 WeakPolarHBondContact OD2-CD 3.4Å; D281-R333 IonicContact OD2-CZ 2.84Å; D281-R333 IonicContact OD2-NE 2.83Å; D281-R333 PolarHBondContact OD2-NE 3.27Å; D281-R333 IonicContact OD2-NH1 3.54Å
282P48.4Very low67.9Low89 Ų8982.3 Ų82.358%0.57841%0.414SS*.G310 helixtrans-52.5-25.7173.1-23.532.6000112.3Y284 S285P282-Y284 PolarHBondContact O-N 3.12Å; P282-S285 PolarHBondContact O-N 3.16Å; P282-S285 PolarHBondContact O-OG 3.27Å
283S42Very low67Low36 Ų3677 Ų7725%0.25239%0.385SS..G310 helixtrans-73.3-14.217969.70000115.3D281 S285 N286D281-S283 PolarHBondContact O-N 3.44Å; D281-S283 PolarHBondContact OD1-OG 3.3Å; D281-S283 PolarHBondContact OD2-OG 2.97Å; S283-S285 CarbonylContact O-C 3.57Å; S283-S285 PolarHBondContact O-N 2.75Å; S283-N286 PolarHBondContact O-N 3.07Å
284Y42Very low66.3Low187 Ų18774.9 Ų74.973%0.73337%0.374SS*.G310 helixtrans-68.8-6.2173.9-121.2-90.9000113D281 P282 N286D281-Y284 PolarHBondContact O-N 2.8Å; P282-Y284 PolarHBondContact O-N 3.12Å; Y284-N286 PolarHBondContact O-N 2.84Å
285S44.2Very low65.8Low39 Ų3978 Ų7827%0.27338%0.384SS..  trans-77.767155.3690000110.3P282 S283 N287 M288P282-S285 PolarHBondContact O-N 3.16Å; P282-S285 PolarHBondContact O-OG 3.27Å; S283-S285 CarbonylContact O-C 3.57Å; S283-S285 PolarHBondContact O-N 2.75Å; S285-N287 PolarHBondContact O-N 2.85Å; S285-M288 PolarHBondContact O-N 2.89Å; S285-M288 WeakPolarHBondContact OG-CB 3.34Å
286N40.3Very low65.6Low142 Ų14271.2 Ų71.276%0.75936%0.355SS*.THydrogen-bonded Turntrans-59.49.2173.3-84.8-37.2000114.6S283 Y284S283-N286 PolarHBondContact O-N 3.07Å; Y284-N286 PolarHBondContact O-N 2.84Å
287N47.4Very low65.5Low128 Ų12865.6 Ų65.668%0.68433%0.333SS*.THydrogen-bonded Turntrans-130.50172.6-69.9-39.3000114S285S285-N287 PolarHBondContact O-N 2.85Å
288M57.4Low65.3Low53 Ų5366.2 Ų66.226%0.26134%0.337SS..  trans-105.8135.2172.2-61174.753.400109.4R73 Y130 S285R73-M288 HydrophobicContact CB-CG 4.34Å; R73-M288 HydrophobicContact CB-SD 4.44Å; Y130-M288 HydrophobicContact CE2-CE 3.64Å; Y130-M288 HydrophobicContact CE2-SD 3.96Å; Y130-M288 WeakPolarHBondContact OH-CE 3.46Å; S285-M288 PolarHBondContact O-N 2.89Å; S285-M288 WeakPolarHBondContact OG-CB 3.34Å
289I66Low65.3Low20 Ų2073.3 Ų73.310%0.10337%0.37CS..  trans-97.5126.5177.7-65.3170000104.9D291 L294 L309 I312 Y313 Y325I289-D291 PolarHBondContact O-N 2.98Å; I289-L294 HydrophobicContact CG2-CB 4.06Å; I289-L294 HydrophobicContact CG2-CD1 4.12Å; I289-L294 HydrophobicContact CG2-CD2 4.05Å; I289-L294 HydrophobicContact CG2-CG 4.31Å; I289-L309 HydrophobicContact CB-CD2 4.21Å; I289-L309 HydrophobicContact CD1-CD2 3.17Å; I289-L309 HydrophobicContact CG1-CD2 4.22Å; I289-L309 HydrophobicContact CG2-CD2 3.88Å; I289-I312 HydrophobicContact CD1-CB 4.3Å; I289-I312 HydrophobicContact CD1-CD1 4.19Å; I289-I312 HydrophobicContact CD1-CG2 3.87Å; I289-I312 HydrophobicContact CG1-CD1 4.37Å; I289-I312 HydrophobicContact CG1-CG2 4.18Å; I289-I312 HydrophobicContact CG2-CD1 4.24Å; I289-Y313 HydrophobicContact CD1-CE1 4.24Å; I289-Y313 HydrophobicContact CD1-CE2 3.81Å; I289-Y325 VanDerWaalsContact CA-OH 3.29Å; I289-Y325 WeakPolarHBondContact CA-OH 3.1Å; I289-Y325 HydrophobicContact CG2-CE2 3.8Å
290D69.8Low65.9Low50 Ų5077.7 Ų77.727%0.26739%0.385SS..  trans-72.3109.3176.2179.7-48.6000106.8E292 A293 L294 Y325 I329 R332D290-E292 PolarHBondContact O-N 2.95Å; D290-E292 WeakPolarHBondContact OD1-CA 3.19Å; D290-E292 WeakPolarHBondContact OD1-CB 3.38Å; D290-E292 PolarHBondContact OD1-N 3.44Å; D290-A293 HydrophobicContact CB-CB 3.86Å; D290-A293 PolarHBondContact O-N 2.81Å; D290-A293 PolarHBondContact OD1-N 2.99Å; D290-L294 VanDerWaalsContact O-CB 3.32Å; D290-L294 WeakPolarHBondContact O-CB 3.46Å; D290-L294 PolarHBondContact O-N 3.21Å; D290-Y325 PolarHBondContact N-OH 3.23Å; D290-I329 HydrophobicContact CB-CD1 3.54Å; D290-R332 IonicContact OD1-NH1 2.87Å; D290-R332 PolarHBondContact OD1-NH1 3.14Å; D290-R332 IonicContact OD2-NH1 2.65Å; D290-R332 PolarHBondContact OD2-NH1 3.39Å
291D73.5Confident67.2Low79 Ų7973.5 Ų73.542%0.42236%0.364SS..Hα-helixtrans-60-30.2-175.8-69.8-23.9000112.1I289 K295I289-D291 PolarHBondContact O-N 2.98Å; D291-K295 WeakPolarHBondContact O-CB 3.04Å; D291-K295 VanDerWaalsContact O-CG 3.27Å; D291-K295 WeakPolarHBondContact O-CG 3.44Å; D291-K295 PolarHBondContact O-N 3.26Å
292E76.9Confident69Low112 Ų11281.2 Ų81.252%0.52340%0.4SS..Hα-helixtrans-79.3-36.2-179.5-167.265.6-162.300111D290 E296 R332D290-E292 PolarHBondContact O-N 2.95Å; D290-E292 WeakPolarHBondContact OD1-CA 3.19Å; D290-E292 WeakPolarHBondContact OD1-CB 3.38Å; D290-E292 PolarHBondContact OD1-N 3.44Å; E292-E296 VanDerWaalsContact O-CB 3.28Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.45Å; E292-R332 VanDerWaalsContact C-NH2 3.34Å; E292-R332 PolarHBondContact O-NH2 3.24Å
293A77.9Confident70.7Confident0 Ų078.2 Ų78.20%038%0.38CS..Hα-helixtrans-69.8-36.9170.800000110.9D290 E296 V297 Y325 I328 I329D290-A293 HydrophobicContact CB-CB 3.86Å; D290-A293 PolarHBondContact O-N 2.81Å; D290-A293 PolarHBondContact OD1-N 2.99Å; A293-E296 PolarHBondContact O-N 3.31Å; A293-V297 VanDerWaalsContact O-CG2 3.31Å; A293-V297 WeakPolarHBondContact O-CG2 3.32Å; A293-V297 PolarHBondContact O-N 2.92Å; A293-Y325 HydrophobicContact CB-CD2 4.17Å; A293-Y325 HydrophobicContact CB-CE2 3.87Å; A293-I328 HydrophobicContact CB-CB 4.47Å; A293-I328 HydrophobicContact CB-CG2 3.69Å; A293-I329 HydrophobicContact CB-CD1 3.67Å; A293-I329 HydrophobicContact CB-CG1 4.3Å
294L82.1Confident72.8Confident4 Ų479.7 Ų79.72%0.02139%0.388CS..Hα-helixtrans-61.4-50.2175.3-176.967000110.9I289 D290 E296 V297 C298 E305 V308 L309I289-L294 HydrophobicContact CG2-CB 4.06Å; I289-L294 HydrophobicContact CG2-CD1 4.12Å; I289-L294 HydrophobicContact CG2-CD2 4.05Å; I289-L294 HydrophobicContact CG2-CG 4.31Å; D290-L294 VanDerWaalsContact O-CB 3.32Å; D290-L294 WeakPolarHBondContact O-CB 3.46Å; D290-L294 PolarHBondContact O-N 3.21Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 3.33Å; L294-V297 PolarHBondContact O-N 3.36Å; L294-C298 PolarHBondContact O-N 3.1Å; L294-C298 PolarHBondContact O-SG 2.85Å; L294-E305 HydrophobicContact CD2-CB 4.2Å; L294-E305 HydrophobicContact CD2-CG 4.08Å; L294-E305 HydrophobicContact CG-CG 4.29Å; L294-V308 HydrophobicContact CD1-CB 3.62Å; L294-V308 HydrophobicContact CD1-CG1 3.45Å; L294-V308 VanDerWaalsContact CD1-CG1 3.45Å; L294-V308 HydrophobicContact CD1-CG2 4.46Å; L294-L309 HydrophobicContact CD1-CD2 4.26Å; L294-L309 HydrophobicContact CD1-CG 4.34Å; L294-L309 HydrophobicContact CD2-CD2 3.97Å; L294-L309 HydrophobicContact CD2-CG 4.21Å
295K83.1Confident74.7Confident110 Ų11075 Ų7548%0.47837%0.372SS..Hα-helixtrans-59.3-43.2174.5-77.4175-174.1173.80112.1D291 V297 C298 E299D291-K295 WeakPolarHBondContact O-CB 3.04Å; D291-K295 VanDerWaalsContact O-CG 3.27Å; D291-K295 WeakPolarHBondContact O-CG 3.44Å; D291-K295 PolarHBondContact O-N 3.26Å; K295-V297 VanDerWaalsContact C-N 3.3Å; K295-V297 PolarHBondContact O-N 2.7Å; K295-C298 PolarHBondContact O-N 3.32Å; K295-C298 VanDerWaalsContact O-N 3.15Å; K295-E299 WeakPolarHBondContact O-CB 3.27Å; K295-E299 PolarHBondContact O-N 3.14Å
296E83.7Confident76.4Confident49 Ų4979.6 Ų79.623%0.22939%0.39CS..Hα-helixtrans-61.7-38.4178.2-172.3-178.1161.700111.8E292 A293 L294 K300 I328 R332E292-E296 VanDerWaalsContact O-CB 3.28Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.45Å; A293-E296 PolarHBondContact O-N 3.31Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 3.33Å; E296-K300 HydrophobicContact CG-CD 4.09Å; E296-K300 VanDerWaalsContact O-CB 3.31Å; E296-K300 WeakPolarHBondContact O-CB 3.47Å; E296-K300 VanDerWaalsContact O-CG 3.3Å; E296-K300 WeakPolarHBondContact O-CG 3.37Å; E296-K300 PolarHBondContact O-N 3.46Å; E296-K300 VanDerWaalsContact O-N 3.08Å; E296-K300 IonicContact OE1-NZ 2.67Å; E296-K300 PolarHBondContact OE1-NZ 3.24Å; E296-I328 HydrophobicContact CB-CD1 4.21Å; E296-I328 HydrophobicContact CG-CD1 3.91Å; E296-I328 VanDerWaalsContact OE2-CG2 3.3Å; E296-I328 WeakPolarHBondContact OE2-CG2 3.37Å; E296-R332 IonicContact OE2-CZ 2.65Å; E296-R332 IonicContact OE2-NE 3.65Å; E296-R332 IonicContact OE2-NH2 2.64Å; E296-R332 PolarHBondContact OE2-NH2 3.42Å
297V85Confident78.3Confident0 Ų077.3 Ų77.30%038%0.375CS..Hα-helixtrans-66.6-46.3171.8176.60000110.8A293 L294 K295 E299 K300 F301 V308 L321 A324 Y325 I328A293-V297 VanDerWaalsContact O-CG2 3.31Å; A293-V297 WeakPolarHBondContact O-CG2 3.32Å; A293-V297 PolarHBondContact O-N 2.92Å; L294-V297 PolarHBondContact O-N 3.36Å; K295-V297 VanDerWaalsContact C-N 3.3Å; K295-V297 PolarHBondContact O-N 2.7Å; V297-E299 VanDerWaalsContact C-N 3.31Å; V297-E299 PolarHBondContact O-N 3.44Å; V297-K300 PolarHBondContact O-N 3.08Å; V297-F301 HydrophobicContact CG1-CD2 3.99Å; V297-F301 WeakPolarHBondContact O-CB 3.25Å; V297-F301 WeakPolarHBondContact O-CD2 3.48Å; V297-F301 PolarHBondContact O-N 2.84Å; V297-V308 HydrophobicContact CG1-CG1 4.08Å; V297-V308 HydrophobicContact CG1-CG2 3.79Å; V297-L321 HydrophobicContact CG1-CD2 4.33Å; V297-A324 HydrophobicContact CG1-CB 4.49Å; V297-A324 HydrophobicContact CG2-CB 4.43Å; V297-Y325 HydrophobicContact CG2-CD2 4.49Å; V297-I328 HydrophobicContact CG2-CD1 3.51Å
298C86.6Confident79.9Confident18 Ų1871.2 Ų71.212%0.12234%0.342CS..Hα-helixtrans-59-43.3-179.6-65.60000111.8L294 K295 E302 C303L294-C298 PolarHBondContact O-N 3.1Å; L294-C298 PolarHBondContact O-SG 2.85Å; K295-C298 PolarHBondContact O-N 3.32Å; K295-C298 VanDerWaalsContact O-N 3.15Å; C298-E302 WeakPolarHBondContact O-CA 3.42Å; C298-E302 PolarHBondContact O-N 2.97Å; C298-C303 WeakPolarHBondContact CB-O 3.42Å; C298-C303 PolarHBondContact O-N 3.38Å; C298-C303 VanDerWaalsContact O-N 3.15Å
299E87.3Confident80.8Confident162 Ų16270.8 Ų70.876%0.75734%0.34SS*.Hα-helixtrans-68.1-45.3178.4-171.4179.4-173.600111.9K295 V297K295-E299 WeakPolarHBondContact O-CB 3.27Å; K295-E299 PolarHBondContact O-N 3.14Å; V297-E299 VanDerWaalsContact C-N 3.31Å; V297-E299 PolarHBondContact O-N 3.44Å
300K84.4Confident81.5Confident134 Ų13473.1 Ų73.158%0.58336%0.358SS*.Hα-helixtrans-74.6-28-176.6-74.2179176.51750114.2E296 V297E296-K300 HydrophobicContact CG-CD 4.09Å; E296-K300 VanDerWaalsContact O-CB 3.31Å; E296-K300 WeakPolarHBondContact O-CB 3.47Å; E296-K300 VanDerWaalsContact O-CG 3.3Å; E296-K300 WeakPolarHBondContact O-CG 3.37Å; E296-K300 PolarHBondContact O-N 3.46Å; E296-K300 VanDerWaalsContact O-N 3.08Å; E296-K300 IonicContact OE1-NZ 2.67Å; E296-K300 PolarHBondContact OE1-NZ 3.24Å; V297-K300 PolarHBondContact O-N 3.08Å
301F83.9Confident81.9Confident104 Ų10471.5 Ų71.546%0.45635%0.351SS..Hα-helixtrans-109.76.6-176.6-68.7-97.8000112.9V297 C303 L321 A324V297-F301 HydrophobicContact CG1-CD2 3.99Å; V297-F301 WeakPolarHBondContact O-CB 3.25Å; V297-F301 WeakPolarHBondContact O-CD2 3.48Å; V297-F301 PolarHBondContact O-N 2.84Å; F301-C303 PolarHBondContact O-N 2.76Å; F301-L321 HydrophobicContact CB-CD2 3.86Å; F301-L321 HydrophobicContact CD1-CD2 4.1Å; F301-L321 HydrophobicContact CG-CD2 4.03Å; F301-A324 HydrophobicContact CD2-CB 4.28Å; F301-A324 HydrophobicContact CE1-CB 4.28Å; F301-A324 HydrophobicContact CE2-CB 3.48Å; F301-A324 VanDerWaalsContact CE2-CB 3.48Å; F301-A324 HydrophobicContact CZ-CB 3.48Å; F301-A324 VanDerWaalsContact CZ-CB 3.48Å
302E86.6Confident82Confident190 Ų19069.1 Ų69.189%0.88834%0.338SS*.THydrogen-bonded Turntrans48.943.3179.4-60-177.1173.200112.8C298C298-E302 WeakPolarHBondContact O-CA 3.42Å; C298-E302 PolarHBondContact O-N 2.97Å
303C84.4Confident81.7Confident25 Ų2569.9 Ų69.917%0.16934%0.337CS..  trans-121.1164.4-175.861.60000111.9C298 F301 V308C298-C303 WeakPolarHBondContact CB-O 3.42Å; C298-C303 PolarHBondContact O-N 3.38Å; C298-C303 VanDerWaalsContact O-N 3.15Å; F301-C303 PolarHBondContact O-N 2.76Å; C303-V308 WeakPolarHBondContact SG-CG2 3.42Å
304T86.5Confident81.4Confident67 Ų6773.3 Ų73.341%0.41136%0.361SS..  trans-84.2152.4178.760.40000111.5E306 E307 V308T304-E306 PolarHBondContact O-N 3.1Å; T304-E307 PolarHBondContact N-OE2 2.89Å; T304-E307 PolarHBondContact O-N 3.32Å; T304-E307 VanDerWaalsContact O-N 3.14Å; T304-E307 WeakPolarHBondContact OG1-CG 3.19Å; T304-E307 PolarHBondContact OG1-N 2.65Å; T304-E307 PolarHBondContact OG1-OE2 3.4Å; T304-V308 PolarHBondContact O-N 2.8Å
305E81.3Confident80.1Confident88 Ų8882.4 Ų82.441%0.41140%0.395SS..Hα-helixtrans-56-40.8174.6-69.9-177.5-177.700110.5L294 E307 V308 L309L294-E305 HydrophobicContact CD2-CB 4.2Å; L294-E305 HydrophobicContact CD2-CG 4.08Å; L294-E305 HydrophobicContact CG-CG 4.29Å; E305-E307 VanDerWaalsContact C-N 3.31Å; E305-E307 PolarHBondContact O-N 2.84Å; E305-V308 PolarHBondContact O-N 3.01Å; E305-L309 VanDerWaalsContact O-CB 3.28Å; E305-L309 WeakPolarHBondContact O-CB 3.32Å; E305-L309 WeakPolarHBondContact O-CG 3.33Å; E305-L309 PolarHBondContact O-N 3.14Å
306E79.9Confident79.2Confident136 Ų13681.1 Ų81.164%0.63639%0.393SS*.Hα-helixtrans-59.6-38.3178.9-68.682.1-176.700113.4T304 S310T304-E306 PolarHBondContact O-N 3.1Å; E306-S310 VanDerWaalsContact O-CB 3.29Å; E306-S310 WeakPolarHBondContact O-CB 3.36Å; E306-S310 PolarHBondContact O-N 3.14Å
307E81.6Confident78.1Confident95 Ų9584.9 Ų84.944%0.44441%0.411SS..Hα-helixtrans-65.7-50177.6-75.2162.7152.100110.8T304 E305 L309 S310 C311T304-E307 PolarHBondContact N-OE2 2.89Å; T304-E307 PolarHBondContact O-N 3.32Å; T304-E307 VanDerWaalsContact O-N 3.14Å; T304-E307 WeakPolarHBondContact OG1-CG 3.19Å; T304-E307 PolarHBondContact OG1-N 2.65Å; T304-E307 PolarHBondContact OG1-OE2 3.4Å; E305-E307 VanDerWaalsContact C-N 3.31Å; E305-E307 PolarHBondContact O-N 2.84Å; E307-L309 PolarHBondContact O-N 3.42Å; E307-S310 PolarHBondContact O-N 3.16Å; E307-S310 PolarHBondContact O-OG 2.88Å; E307-C311 PolarHBondContact O-N 3.43Å; E307-C311 VanDerWaalsContact O-N 3.11Å; E307-C311 PolarHBondContact O-SG 3.47Å; E307-C311 VanDerWaalsContact O-SG 3.36Å
308V80.3Confident77.1Confident0 Ų093.1 Ų93.10%045%0.449CS..Hα-helixtrans-63.1-43.9179.4-176.30000111.1L294 V297 C303 T304 E305 S310 C311 I312 L321L294-V308 HydrophobicContact CD1-CB 3.62Å; L294-V308 HydrophobicContact CD1-CG1 3.45Å; L294-V308 VanDerWaalsContact CD1-CG1 3.45Å; L294-V308 HydrophobicContact CD1-CG2 4.46Å; V297-V308 HydrophobicContact CG1-CG1 4.08Å; V297-V308 HydrophobicContact CG1-CG2 3.79Å; C303-V308 WeakPolarHBondContact SG-CG2 3.42Å; T304-V308 PolarHBondContact O-N 2.8Å; E305-V308 PolarHBondContact O-N 3.01Å; V308-S310 VanDerWaalsContact C-N 3.32Å; V308-S310 PolarHBondContact O-N 3.29Å; V308-C311 PolarHBondContact O-N 2.81Å; V308-I312 HydrophobicContact CG1-CD1 3.86Å; V308-I312 HydrophobicContact CG1-CG1 4.5Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.48Å; V308-I312 PolarHBondContact O-N 3.48Å; V308-L321 HydrophobicContact CG2-CD1 4.36Å
309L77.4Confident76.7Confident44 Ų4494.2 Ų94.223%0.2345%0.454CS..Hα-helixtrans-59.4-43.2175.6-69.9175.3000111.3I289 L294 E305 E307 C311 I312 Y313I289-L309 HydrophobicContact CB-CD2 4.21Å; I289-L309 HydrophobicContact CD1-CD2 3.17Å; I289-L309 HydrophobicContact CG1-CD2 4.22Å; I289-L309 HydrophobicContact CG2-CD2 3.88Å; L294-L309 HydrophobicContact CD1-CD2 4.26Å; L294-L309 HydrophobicContact CD1-CG 4.34Å; L294-L309 HydrophobicContact CD2-CD2 3.97Å; L294-L309 HydrophobicContact CD2-CG 4.21Å; E305-L309 VanDerWaalsContact O-CB 3.28Å; E305-L309 WeakPolarHBondContact O-CB 3.32Å; E305-L309 WeakPolarHBondContact O-CG 3.33Å; E305-L309 PolarHBondContact O-N 3.14Å; E307-L309 PolarHBondContact O-N 3.42Å; L309-C311 VanDerWaalsContact C-N 3.32Å; L309-C311 PolarHBondContact O-N 3.16Å; L309-I312 PolarHBondContact O-N 3.35Å; L309-Y313 HydrophobicContact CB-CD2 4.25Å; L309-Y313 HydrophobicContact CB-CE2 4.21Å; L309-Y313 HydrophobicContact CD2-CE2 4.22Å; L309-Y313 WeakPolarHBondContact O-CB 3.35Å; L309-Y313 WeakPolarHBondContact O-CD2 3.44Å; L309-Y313 PolarHBondContact O-N 3.05Å
310S79.5Confident76.2Confident68 Ų6890.8 Ų90.848%0.47645%0.446SS..Hα-helixtrans-61.1-41.1178.780.70000111.9E306 E307 V308 Y313 S314E306-S310 VanDerWaalsContact O-CB 3.29Å; E306-S310 WeakPolarHBondContact O-CB 3.36Å; E306-S310 PolarHBondContact O-N 3.14Å; E307-S310 PolarHBondContact O-N 3.16Å; E307-S310 PolarHBondContact O-OG 2.88Å; V308-S310 VanDerWaalsContact C-N 3.32Å; V308-S310 PolarHBondContact O-N 3.29Å; S310-Y313 PolarHBondContact O-N 3.25Å; S310-S314 VanDerWaalsContact O-CB 3.24Å; S310-S314 WeakPolarHBondContact O-CB 3.05Å; S310-S314 PolarHBondContact O-N 3.44Å; S310-S314 PolarHBondContact O-OG 3.28Å
311C78.8Confident76Confident16 Ų1686 Ų8611%0.10843%0.426CS..Hα-helixtrans-65-46176.7-65.40000111.2E307 V308 L309 Y313 S314 D319 L321 A322E307-C311 PolarHBondContact O-N 3.43Å; E307-C311 VanDerWaalsContact O-N 3.11Å; E307-C311 PolarHBondContact O-SG 3.47Å; E307-C311 VanDerWaalsContact O-SG 3.36Å; V308-C311 PolarHBondContact O-N 2.81Å; L309-C311 VanDerWaalsContact C-N 3.32Å; L309-C311 PolarHBondContact O-N 3.16Å; C311-Y313 PolarHBondContact O-N 2.93Å; C311-S314 PolarHBondContact O-N 3.25Å; C311-S314 PolarHBondContact O-OG 2.79Å; C311-D319 HydrophobicContact CB-CB 4.22Å; C311-D319 PolarHBondContact SG-OD1 2.87Å; C311-L321 HydrophobicContact CB-CB 4.43Å; C311-A322 HydrophobicContact CB-CB 4.31Å
312I74.3Confident75.6Confident30 Ų3081.1 Ų81.115%0.15441%0.405CS..Hα-helixtrans-61.8-45.9177.5-65.2166000111.2I289 V308 L309 S314 R315 Y325I289-I312 HydrophobicContact CD1-CB 4.3Å; I289-I312 HydrophobicContact CD1-CD1 4.19Å; I289-I312 HydrophobicContact CD1-CG2 3.87Å; I289-I312 HydrophobicContact CG1-CD1 4.37Å; I289-I312 HydrophobicContact CG1-CG2 4.18Å; I289-I312 HydrophobicContact CG2-CD1 4.24Å; V308-I312 HydrophobicContact CG1-CD1 3.86Å; V308-I312 HydrophobicContact CG1-CG1 4.5Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.48Å; V308-I312 PolarHBondContact O-N 3.48Å; L309-I312 PolarHBondContact O-N 3.35Å; I312-S314 PolarHBondContact O-N 3.29Å; I312-R315 PolarHBondContact O-N 2.84Å; I312-Y325 HydrophobicContact CD1-CD1 3.7Å; I312-Y325 HydrophobicContact CD1-CD2 3.89Å; I312-Y325 HydrophobicContact CD1-CE1 4.02Å; I312-Y325 HydrophobicContact CD1-CE2 4.19Å; I312-Y325 HydrophobicContact CD1-CG 3.65Å; I312-Y325 HydrophobicContact CG1-CD1 4.18Å; I312-Y325 HydrophobicContact CG1-CG 4.38Å
313Y72.1Confident75.1Confident127 Ų12774.9 Ų74.950%0.49838%0.38SS..Hα-helixtrans-72.8-27.2-178.5-74.3-56.1000113.8I289 L309 S310 C311 R315I289-Y313 HydrophobicContact CD1-CE1 4.24Å; I289-Y313 HydrophobicContact CD1-CE2 3.81Å; L309-Y313 HydrophobicContact CB-CD2 4.25Å; L309-Y313 HydrophobicContact CB-CE2 4.21Å; L309-Y313 HydrophobicContact CD2-CE2 4.22Å; L309-Y313 WeakPolarHBondContact O-CB 3.35Å; L309-Y313 WeakPolarHBondContact O-CD2 3.44Å; L309-Y313 PolarHBondContact O-N 3.05Å; S310-Y313 PolarHBondContact O-N 3.25Å; C311-Y313 PolarHBondContact O-N 2.93Å; Y313-R315 PolarHBondContact O-N 3.33Å; Y313-R315 VanDerWaalsContact O-N 3.17Å
314S70.3Confident74.9Confident72 Ų7274.1 Ų74.150%0.50338%0.375SS..THydrogen-bonded Turntrans-66.9-10.5177.8740000113.9S310 C311 I312 N316S310-S314 VanDerWaalsContact O-CB 3.24Å; S310-S314 WeakPolarHBondContact O-CB 3.05Å; S310-S314 PolarHBondContact O-N 3.44Å; S310-S314 PolarHBondContact O-OG 3.28Å; C311-S314 PolarHBondContact O-N 3.25Å; C311-S314 PolarHBondContact O-OG 2.79Å; I312-S314 PolarHBondContact O-N 3.29Å; S314-N316 PolarHBondContact O-N 3.13Å; S314-N316 VanDerWaalsContact O-N 3.09Å; S314-N316 PolarHBondContact OG-N 2.99Å
315R56Low74.6Confident195 Ų19571.5 Ų71.574%0.73636%0.358SS*.THydrogen-bonded Turntrans54.219.9-174-63.7-172.6177.2-170.5-1.8114.1I312 Y313 H317I312-R315 PolarHBondContact O-N 2.84Å; Y313-R315 PolarHBondContact O-N 3.33Å; Y313-R315 VanDerWaalsContact O-N 3.17Å; R315-H317 VanDerWaalsContact C-N 3.33Å; R315-H317 PolarHBondContact O-CD2 3.03Å; R315-H317 VanDerWaalsContact O-CD2 3.3Å; R315-H317 PolarHBondContact O-N 3.25Å; R315-H317 VanDerWaalsContact O-N 3.08Å
316N64.4Low74.1Confident83 Ų8370.6 Ų70.644%0.44435%0.354SS..  trans-82.382.9170.5-170.910.8000109.2S314 Q318 D319S314-N316 PolarHBondContact O-N 3.13Å; S314-N316 VanDerWaalsContact O-N 3.09Å; S314-N316 PolarHBondContact OG-N 2.99Å; N316-Q318 PolarHBondContact O-N 3.12Å; N316-D319 WeakPolarHBondContact O-CB 3.36Å; N316-D319 PolarHBondContact O-N 3.3Å
317H59Low73.8Confident129 Ų12968.7 Ų68.760%0.59735%0.347SS*.THydrogen-bonded Turntrans-641.4-177-62.9-71.6000114.8R315 V323R315-H317 VanDerWaalsContact C-N 3.33Å; R315-H317 PolarHBondContact O-CD2 3.03Å; R315-H317 VanDerWaalsContact O-CD2 3.3Å; R315-H317 PolarHBondContact O-N 3.25Å; R315-H317 VanDerWaalsContact O-N 3.08Å; H317-V323 WeakPolarHBondContact O-CG2 3.38Å
318Q64.1Low73.6Confident172 Ų17265 Ų6580%0.80433%0.33SS*.THydrogen-bonded Turntrans-100.6-4.4175.4-62.8-177.76.600112.9N316N316-Q318 PolarHBondContact O-N 3.12Å
319D79.2Confident73.1Confident41 Ų4165.9 Ų65.922%0.21934%0.335CS..  trans-68.2130177.6-171.6-83.8000111.1C311 N316 L321 A322 V323C311-D319 HydrophobicContact CB-CB 4.22Å; C311-D319 PolarHBondContact SG-OD1 2.87Å; N316-D319 WeakPolarHBondContact O-CB 3.36Å; N316-D319 PolarHBondContact O-N 3.3Å; D319-L321 PolarHBondContact O-N 3.37Å; D319-L321 WeakPolarHBondContact OD1-CB 3.4Å; D319-L321 PolarHBondContact OD1-N 3.35Å; D319-A322 HydrophobicContact CB-CB 4.17Å; D319-A322 PolarHBondContact O-N 2.81Å; D319-A322 VanDerWaalsContact O-N 3.11Å; D319-V323 WeakPolarHBondContact O-CG2 3.34Å; D319-V323 PolarHBondContact O-N 3.43Å
320P76.3Confident72.4Confident91 Ų9167.2 Ų67.259%0.59134%0.342SS*.Hα-helixtrans-55.7-34-177-27.235000114.6A324P320-A324 VanDerWaalsContact O-CB 3.29Å; P320-A324 WeakPolarHBondContact O-CB 3.44Å; P320-A324 PolarHBondContact O-N 3.16Å
321L80.6Confident71.9Confident32 Ų3268.5 Ų68.517%0.16834%0.344CS..Hα-helixtrans-74.4-39179.6-62.5177.7000111.2V297 F301 V308 C311 D319 A324 Y325V297-L321 HydrophobicContact CG1-CD2 4.33Å; F301-L321 HydrophobicContact CB-CD2 3.86Å; F301-L321 HydrophobicContact CD1-CD2 4.1Å; F301-L321 HydrophobicContact CG-CD2 4.03Å; V308-L321 HydrophobicContact CG2-CD1 4.36Å; C311-L321 HydrophobicContact CB-CB 4.43Å; D319-L321 PolarHBondContact O-N 3.37Å; D319-L321 WeakPolarHBondContact OD1-CB 3.4Å; D319-L321 PolarHBondContact OD1-N 3.35Å; L321-A324 PolarHBondContact O-N 2.96Å; L321-Y325 WeakPolarHBondContact O-CB 3.22Å; L321-Y325 PolarHBondContact O-N 3.08Å
322A75.8Confident71.4Confident2 Ų270.7 Ų70.72%0.01735%0.35CS..Hα-helixtrans-66-40.5173.600000111.4C311 D319 Y325 H326C311-A322 HydrophobicContact CB-CB 4.31Å; D319-A322 HydrophobicContact CB-CB 4.17Å; D319-A322 PolarHBondContact O-N 2.81Å; D319-A322 VanDerWaalsContact O-N 3.11Å; A322-Y325 PolarHBondContact O-N 2.72Å; A322-H326 PolarHBondContact O-CD2 2.88Å; A322-H326 PolarHBondContact O-N 2.76Å
323V76.3Confident70.7Confident59 Ų5974.3 Ų74.336%0.35836%0.361SS..Hα-helixtrans-64.1-46.2175.4172.80000111H317 D319 Y325 H326 L327H317-V323 WeakPolarHBondContact O-CG2 3.38Å; D319-V323 WeakPolarHBondContact O-CG2 3.34Å; D319-V323 PolarHBondContact O-N 3.43Å; V323-Y325 VanDerWaalsContact C-N 3.33Å; V323-Y325 PolarHBondContact O-N 3.13Å; V323-H326 PolarHBondContact O-N 3.28Å; V323-L327 HydrophobicContact CG1-CD1 3.86Å; V323-L327 HydrophobicContact CG1-CG 4.28Å; V323-L327 WeakPolarHBondContact O-CB 3.17Å; V323-L327 VanDerWaalsContact O-CG 3.31Å; V323-L327 WeakPolarHBondContact O-CG 3.42Å; V323-L327 PolarHBondContact O-N 3.42Å
324A78.6Confident70.1Confident9 Ų973.4 Ų73.47%0.07436%0.364CS..Hα-helixtrans-59.5-44.2177.400000112.1V297 F301 P320 L321 L327 I328V297-A324 HydrophobicContact CG1-CB 4.49Å; V297-A324 HydrophobicContact CG2-CB 4.43Å; F301-A324 HydrophobicContact CD2-CB 4.28Å; F301-A324 HydrophobicContact CE1-CB 4.28Å; F301-A324 HydrophobicContact CE2-CB 3.48Å; F301-A324 VanDerWaalsContact CE2-CB 3.48Å; F301-A324 HydrophobicContact CZ-CB 3.48Å; F301-A324 VanDerWaalsContact CZ-CB 3.48Å; P320-A324 VanDerWaalsContact O-CB 3.29Å; P320-A324 WeakPolarHBondContact O-CB 3.44Å; P320-A324 PolarHBondContact O-N 3.16Å; L321-A324 PolarHBondContact O-N 2.96Å; A324-L327 PolarHBondContact O-N 2.86Å; A324-I328 WeakPolarHBondContact O-CG1 3.5Å; A324-I328 PolarHBondContact O-N 3.19Å
325Y80Confident69.5Low12 Ų1273.4 Ų73.45%0.04736%0.357CS..Hα-helixtrans-57.6-51.6173.8174.5-94.7000111.5I289 D290 A293 V297 I312 L321 A322 V323 L327 I328 I329I289-Y325 VanDerWaalsContact CA-OH 3.29Å; I289-Y325 WeakPolarHBondContact CA-OH 3.1Å; I289-Y325 HydrophobicContact CG2-CE2 3.8Å; D290-Y325 PolarHBondContact N-OH 3.23Å; A293-Y325 HydrophobicContact CB-CD2 4.17Å; A293-Y325 HydrophobicContact CB-CE2 3.87Å; V297-Y325 HydrophobicContact CG2-CD2 4.49Å; I312-Y325 HydrophobicContact CD1-CD1 3.7Å; I312-Y325 HydrophobicContact CD1-CD2 3.89Å; I312-Y325 HydrophobicContact CD1-CE1 4.02Å; I312-Y325 HydrophobicContact CD1-CE2 4.19Å; I312-Y325 HydrophobicContact CD1-CG 3.65Å; I312-Y325 HydrophobicContact CG1-CD1 4.18Å; I312-Y325 HydrophobicContact CG1-CG 4.38Å; L321-Y325 WeakPolarHBondContact O-CB 3.22Å; L321-Y325 PolarHBondContact O-N 3.08Å; A322-Y325 PolarHBondContact O-N 2.72Å; V323-Y325 VanDerWaalsContact C-N 3.33Å; V323-Y325 PolarHBondContact O-N 3.13Å; Y325-L327 VanDerWaalsContact C-N 3.33Å; Y325-L327 PolarHBondContact O-N 2.88Å; Y325-I328 PolarHBondContact O-N 3Å; Y325-I329 HydrophobicContact CD1-CG1 4.42Å; Y325-I329 HydrophobicContact CE1-CG1 3.97Å; Y325-I329 HydrophobicContact CE2-CD1 4.46Å; Y325-I329 HydrophobicContact CE2-CG1 4.43Å; Y325-I329 WeakPolarHBondContact O-CG1 3.26Å; Y325-I329 PolarHBondContact O-N 3.23Å; Y325-I329 VanDerWaalsContact O-N 3.1Å
326H72.3Confident69.4Low70 Ų7067.2 Ų67.232%0.32434%0.344SS..Hα-helixtrans-63.6-35.7179.5-73.9-56.4000113.1A322 V323 I329 D330A322-H326 PolarHBondContact O-CD2 2.88Å; A322-H326 PolarHBondContact O-N 2.76Å; V323-H326 PolarHBondContact O-N 3.28Å; H326-I329 WeakPolarHBondContact O-CB 3.42Å; H326-I329 PolarHBondContact O-N 3.4Å; H326-D330 WeakPolarHBondContact O-CB 3.42Å; H326-D330 VanDerWaalsContact O-CG 3.31Å; H326-D330 PolarHBondContact O-N 2.82Å
327L72.5Confident68.9Low96 Ų9669.5 Ų69.550%0.50335%0.352SS..Hα-helixtrans-66-37175.2-74.7171.5000113V323 A324 Y325 D330 N331V323-L327 HydrophobicContact CG1-CD1 3.86Å; V323-L327 HydrophobicContact CG1-CG 4.28Å; V323-L327 WeakPolarHBondContact O-CB 3.17Å; V323-L327 VanDerWaalsContact O-CG 3.31Å; V323-L327 WeakPolarHBondContact O-CG 3.42Å; V323-L327 PolarHBondContact O-N 3.42Å; A324-L327 PolarHBondContact O-N 2.86Å; Y325-L327 VanDerWaalsContact C-N 3.33Å; Y325-L327 PolarHBondContact O-N 2.88Å; L327-D330 PolarHBondContact O-N 2.89Å; L327-N331 WeakPolarHBondContact O-CB 3.49Å; L327-N331 PolarHBondContact O-N 3.12Å; L327-N331 PolarHBondContact O-ND2 3.18Å
328I77.2Confident68.8Low16 Ų1665.4 Ų65.48%0.08234%0.34CS..Hα-helixtrans-66.2-42.8175.2-72.9162.1000110.1A293 E296 V297 A324 Y325 N331 R332A293-I328 HydrophobicContact CB-CB 4.47Å; A293-I328 HydrophobicContact CB-CG2 3.69Å; E296-I328 HydrophobicContact CB-CD1 4.21Å; E296-I328 HydrophobicContact CG-CD1 3.91Å; E296-I328 VanDerWaalsContact OE2-CG2 3.3Å; E296-I328 WeakPolarHBondContact OE2-CG2 3.37Å; V297-I328 HydrophobicContact CG2-CD1 3.51Å; A324-I328 WeakPolarHBondContact O-CG1 3.5Å; A324-I328 PolarHBondContact O-N 3.19Å; Y325-I328 PolarHBondContact O-N 3Å; I328-N331 PolarHBondContact O-N 2.86Å; I328-R332 WeakPolarHBondContact O-CB 3.32Å; I328-R332 VanDerWaalsContact O-CG 3.31Å; I328-R332 WeakPolarHBondContact O-CG 3.24Å; I328-R332 PolarHBondContact O-N 3.24Å
329I70.9Confident68.4Low19 Ų1963.7 Ų63.710%0.09733%0.33CS..Hα-helixtrans-59.9-48.5174.1-63.5-64.8000111D290 A293 Y325 H326 N331 R332 R333D290-I329 HydrophobicContact CB-CD1 3.54Å; A293-I329 HydrophobicContact CB-CD1 3.67Å; A293-I329 HydrophobicContact CB-CG1 4.3Å; Y325-I329 HydrophobicContact CD1-CG1 4.42Å; Y325-I329 HydrophobicContact CE1-CG1 3.97Å; Y325-I329 HydrophobicContact CE2-CD1 4.46Å; Y325-I329 HydrophobicContact CE2-CG1 4.43Å; Y325-I329 WeakPolarHBondContact O-CG1 3.26Å; Y325-I329 PolarHBondContact O-N 3.23Å; Y325-I329 VanDerWaalsContact O-N 3.1Å; H326-I329 WeakPolarHBondContact O-CB 3.42Å; H326-I329 PolarHBondContact O-N 3.4Å; I329-N331 PolarHBondContact O-N 2.9Å; I329-R332 PolarHBondContact O-N 3.33Å; I329-R333 WeakPolarHBondContact O-CB 3.36Å; I329-R333 PolarHBondContact O-N 2.72Å
330D62.4Low67.3Low72 Ų7268.6 Ų68.639%0.38536%0.356SS..Hα-helixtrans-64.4-39.8-179.5-74.9-19.4000112H326 L327 R333 I334H326-D330 WeakPolarHBondContact O-CB 3.42Å; H326-D330 VanDerWaalsContact O-CG 3.31Å; H326-D330 PolarHBondContact O-N 2.82Å; L327-D330 PolarHBondContact O-N 2.89Å; D330-R333 WeakPolarHBondContact O-CB 3.46Å; D330-R333 PolarHBondContact O-N 2.84Å; D330-I334 WeakPolarHBondContact O-CG1 3.38Å; D330-I334 PolarHBondContact O-N 3.03Å
331N68Low66.5Low96 Ų9671.9 Ų71.951%0.51336%0.362SS..Hα-helixtrans-62.1-47.1173.4-81-29.2000111L327 I328 I329 R333 I334 M335L327-N331 WeakPolarHBondContact O-CB 3.49Å; L327-N331 PolarHBondContact O-N 3.12Å; L327-N331 PolarHBondContact O-ND2 3.18Å; I328-N331 PolarHBondContact O-N 2.86Å; I329-N331 PolarHBondContact O-N 2.9Å; N331-R333 PolarHBondContact O-N 3.34Å; N331-I334 PolarHBondContact O-N 3.49Å; N331-M335 VanDerWaalsContact O-CG 3.26Å; N331-M335 WeakPolarHBondContact O-CG 3.25Å; N331-M335 PolarHBondContact O-N 3.24Å
332R68.8Low64.9Low62 Ų6276.2 Ų76.223%0.23438%0.377CS..Hα-helixtrans-60.1-35175.6-71.4177-175.9-172.14112.4D290 E292 E296 I328 I329 M335 S336D290-R332 IonicContact OD1-NH1 2.87Å; D290-R332 PolarHBondContact OD1-NH1 3.14Å; D290-R332 IonicContact OD2-NH1 2.65Å; D290-R332 PolarHBondContact OD2-NH1 3.39Å; E292-R332 VanDerWaalsContact C-NH2 3.34Å; E292-R332 PolarHBondContact O-NH2 3.24Å; E296-R332 IonicContact OE2-CZ 2.65Å; E296-R332 IonicContact OE2-NE 3.65Å; E296-R332 IonicContact OE2-NH2 2.64Å; E296-R332 PolarHBondContact OE2-NH2 3.42Å; I328-R332 WeakPolarHBondContact O-CB 3.32Å; I328-R332 VanDerWaalsContact O-CG 3.31Å; I328-R332 WeakPolarHBondContact O-CG 3.24Å; I328-R332 PolarHBondContact O-N 3.24Å; I329-R332 PolarHBondContact O-N 3.33Å; R332-M335 HydrophobicContact CB-CE 4.25Å; R332-M335 HydrophobicContact CG-CE 3.79Å; R332-M335 WeakPolarHBondContact O-CB 3.31Å; R332-M335 PolarHBondContact O-N 2.8Å; R332-S336 PolarHBondContact O-N 2.93Å
333R59.9Low64.2Low105 Ų10582 Ų8240%0.39641%0.406SS..Hα-helixtrans-63.1-50.9173.3177.9-173.7164.9-179.24.7112D281 I329 D330 N331 M335 S336 E337D281-R333 WeakPolarHBondContact OD2-CD 3.4Å; D281-R333 IonicContact OD2-CZ 2.84Å; D281-R333 IonicContact OD2-NE 2.83Å; D281-R333 PolarHBondContact OD2-NE 3.27Å; D281-R333 IonicContact OD2-NH1 3.54Å; I329-R333 WeakPolarHBondContact O-CB 3.36Å; I329-R333 PolarHBondContact O-N 2.72Å; D330-R333 WeakPolarHBondContact O-CB 3.46Å; D330-R333 PolarHBondContact O-N 2.84Å; N331-R333 PolarHBondContact O-N 3.34Å; R333-M335 PolarHBondContact O-N 2.91Å; R333-S336 PolarHBondContact O-N 3.16Å; R333-E337 IonicContact CZ-OE1 2.88Å; R333-E337 IonicContact NE-OE1 3.48Å; R333-E337 PolarHBondContact NE-OE1 3.48Å; R333-E337 IonicContact NH2-OE1 3.34Å; R333-E337 PolarHBondContact NH2-OE1 3.37Å; R333-E337 PolarHBondContact O-N 3.28Å
334I59.5Low63.5Low109 Ų10983.8 Ų83.856%0.55943%0.427SS*.Hα-helixtrans-57-37.2176.4-66.6166000110.3D330 N331 A338D330-I334 WeakPolarHBondContact O-CG1 3.38Å; D330-I334 PolarHBondContact O-N 3.03Å; N331-I334 PolarHBondContact O-N 3.49Å; I334-A338 PolarHBondContact O-N 2.85Å
335M57.1Low63Low72 Ų7287.9 Ų87.936%0.35546%0.456SS..Hα-helixtrans-65.2-41.8175.3-63.2-164.8-76.400113N331 R332 R333 A338 Y342N331-M335 VanDerWaalsContact O-CG 3.26Å; N331-M335 WeakPolarHBondContact O-CG 3.25Å; N331-M335 PolarHBondContact O-N 3.24Å; R332-M335 HydrophobicContact CB-CE 4.25Å; R332-M335 HydrophobicContact CG-CE 3.79Å; R332-M335 WeakPolarHBondContact O-CB 3.31Å; R332-M335 PolarHBondContact O-N 2.8Å; R333-M335 PolarHBondContact O-N 2.91Å; M335-A338 CarbonylContact O-C 3.49Å; M335-A338 PolarHBondContact O-N 3.04Å; M335-Y342 VanDerWaalsContact CA-CE2 3.42Å; M335-Y342 HydrophobicContact CB-CD2 4.01Å; M335-Y342 HydrophobicContact CB-CE1 4.37Å; M335-Y342 HydrophobicContact CB-CE2 3.44Å; M335-Y342 VanDerWaalsContact CB-CE2 3.44Å; M335-Y342 HydrophobicContact CG-CE1 4.14Å; M335-Y342 HydrophobicContact CG-CE2 3.67Å; M335-Y342 WeakPolarHBondContact CG-OH 3.37Å; M335-Y342 WeakPolarHBondContact O-CD2 3.46Å; M335-Y342 WeakPolarHBondContact O-CE2 3.37Å; M335-Y342 HydrophobicContact SD-CE1 3.72Å; M335-Y342 HydrophobicContact SD-CE2 4.36Å; M335-Y342 VanDerWaalsContact SD-CZ 3.55Å; M335-Y342 PolarHBondContact SD-OH 3.41Å; M335-Y342 VanDerWaalsContact SD-OH 3.39Å
336S55.1Low62.2Low65 Ų6592.5 Ų92.546%0.45549%0.49SS..Hα-helixtrans-72.2-29.3179.1-1800000113.8R332 R333 A338 K339R332-S336 PolarHBondContact O-N 2.93Å; R333-S336 PolarHBondContact O-N 3.16Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-K339 WeakPolarHBondContact O-CE 3.1Å; S336-K339 WeakPolarHBondContact O-CG 3.48Å
337E53.4Low62.2Low131 Ų13194.1 Ų94.161%0.61251%0.507SS*.Hα-helixtrans-71.1-29.3173.6-70.2177.1-170.500111R333 K339R333-E337 IonicContact CZ-OE1 2.88Å; R333-E337 IonicContact NE-OE1 3.48Å; R333-E337 PolarHBondContact NE-OE1 3.48Å; R333-E337 IonicContact NH2-OE1 3.34Å; R333-E337 PolarHBondContact NH2-OE1 3.37Å; R333-E337 PolarHBondContact O-N 3.28Å; E337-K339 PolarHBondContact O-N 2.88Å
338A56.7Low61.9Low43 Ų4393.9 Ų93.936%0.35551%0.511SS..THydrogen-bonded Turntrans-91.750.6174.900000113.2I334 M335 S336 D340 F341 Y342I334-A338 PolarHBondContact O-N 2.85Å; M335-A338 CarbonylContact O-C 3.49Å; M335-A338 PolarHBondContact O-N 3.04Å; S336-A338 VanDerWaalsContact C-N 3.3Å; A338-D340 PolarHBondContact O-N 3.16Å; A338-D340 VanDerWaalsContact O-N 3.11Å; A338-F341 HydrophobicContact CB-CB 4.15Å; A338-F341 VanDerWaalsContact O-CB 3.29Å; A338-F341 WeakPolarHBondContact O-CB 3.43Å; A338-F341 PolarHBondContact O-N 2.83Å; A338-Y342 HydrophobicContact CB-CE2 4.48Å
339K55.6Low60.6Low136 Ų136100.3 Ų100.359%0.59155%0.545SS*.Hα-helixtrans-51.6-39.4-175.3-63.9-173.8179.1167.70114S336 E337 F341 Y342 L343S336-K339 WeakPolarHBondContact O-CE 3.1Å; S336-K339 WeakPolarHBondContact O-CG 3.48Å; E337-K339 PolarHBondContact O-N 2.88Å; K339-F341 PolarHBondContact O-N 3.34Å; K339-Y342 PolarHBondContact O-N 3.1Å; K339-L343 PolarHBondContact O-N 3.43Å
340D56.8Low59.7Low143 Ų143104.8 Ų104.877%0.76557%0.57SS**Hα-helixtrans-68.1-17.1-179.4-63.1-23.3000113.5A338A338-D340 PolarHBondContact O-N 3.16Å; A338-D340 VanDerWaalsContact O-N 3.11Å
341F59.3Low59.4Low161 Ų161111 Ų11171%0.70659%0.593SS**Hα-helixtrans-79.9-39.2175.1-175.5-89.3000112A338 K339A338-F341 HydrophobicContact CB-CB 4.15Å; A338-F341 VanDerWaalsContact O-CB 3.29Å; A338-F341 WeakPolarHBondContact O-CB 3.43Å; A338-F341 PolarHBondContact O-N 2.83Å; K339-F341 PolarHBondContact O-N 3.34Å
342Y47.1Very low58.7Low123 Ų123114.5 Ų114.548%0.48261%0.611SS.*Hα-helixtrans-97.7-28.4-173.8-66.8-81.6000113.6M335 A338 K339M335-Y342 VanDerWaalsContact CA-CE2 3.42Å; M335-Y342 HydrophobicContact CB-CD2 4.01Å; M335-Y342 HydrophobicContact CB-CE1 4.37Å; M335-Y342 HydrophobicContact CB-CE2 3.44Å; M335-Y342 VanDerWaalsContact CB-CE2 3.44Å; M335-Y342 HydrophobicContact CG-CE1 4.14Å; M335-Y342 HydrophobicContact CG-CE2 3.67Å; M335-Y342 WeakPolarHBondContact CG-OH 3.37Å; M335-Y342 WeakPolarHBondContact O-CD2 3.46Å; M335-Y342 WeakPolarHBondContact O-CE2 3.37Å; M335-Y342 HydrophobicContact SD-CE1 3.72Å; M335-Y342 HydrophobicContact SD-CE2 4.36Å; M335-Y342 VanDerWaalsContact SD-CZ 3.55Å; M335-Y342 PolarHBondContact SD-OH 3.41Å; M335-Y342 VanDerWaalsContact SD-OH 3.39Å; A338-Y342 HydrophobicContact CB-CE2 4.48Å; K339-Y342 PolarHBondContact O-N 3.1Å
343L60.2Low57.7Low122 Ų122116.5 Ų116.564%0.63963%0.627SS**SBendtrans-123.3138-175.5-63.2174.4000110.5K339K339-L343 PolarHBondContact O-N 3.43Å
344A62.8Low57Low97 Ų97119 Ų11980%0.80265%0.648SS**PPolyproline II helixtrans-76.2128.4170.800000110.2
345S68.1Low56.5Low95 Ų95117 Ų11766%0.66464%0.64SS**PPolyproline II helixtrans-72.9142.6170.560.20000111.3
346S63.4Low56.1Low110 Ų110117.8 Ų117.877%0.76966%0.658SS**PPolyproline II helixtrans-66.5142.1167.4-63.30000110.5
347P70.7Confident56Low104 Ų104118.1 Ų118.168%0.67567%0.673SS**PPolyproline II helixtrans-65157171.926.4-31.8000111.3
348P67.1Low56Low91 Ų91118.7 Ų118.759%0.59168%0.678SS**PPolyproline II helixtrans-61.2143.4176.6-1930.6000112.4N350 I359P348-N350 VanDerWaalsContact C-N 3.33Å; P348-N350 PolarHBondContact O-N 2.93Å; P348-I359 HydrophobicContact CG-CD1 4.32Å
349D50.2Low56.2Low151 Ų151122 Ų12281%0.80769%0.689SS**SBendtrans-74.6-17-179.2-75.4-38.2000114.2F351D349-F351 PolarHBondContact O-N 3.26Å
350N51.4Low56.7Low113 Ų113124.9 Ų124.960%0.60470%0.701SS**  trans-80.4100.2-177.5-88.66.4000112.2P348 L352 D353P348-N350 VanDerWaalsContact C-N 3.33Å; P348-N350 PolarHBondContact O-N 2.93Å; N350-L352 PolarHBondContact O-N 3.29Å; N350-D353 PolarHBondContact ND2-OD2 3.18Å
351F55.7Low57.2Low201 Ų201121.2 Ų121.288%0.88269%0.685SS**SBendtrans-75-4.2171.8-81.4-91.2000114.7D349D349-F351 PolarHBondContact O-N 3.26Å
352L53.6Low57.7Low171 Ų171118.6 Ų118.690%0.89568%0.675SS**SBendtrans-108.1-16.1-170.6-70.2173.4000114.8N350N350-L352 PolarHBondContact O-N 3.29Å
353D47.9Very low59Low104 Ų104117.2 Ų117.256%0.55668%0.681SS**SBendtrans-93.2127.1175-79.8-38.4000109.9N350 V355N350-D353 PolarHBondContact ND2-OD2 3.18Å; D353-V355 HydrophobicContact CB-CG2 3.62Å; D353-V355 PolarHBondContact O-N 3.28Å
354D46.1Very low59.7Low156 Ų156118.9 Ų118.983%0.83469%0.686SS**  trans-71.861.8172.9-158.410000110A356D354-A356 PolarHBondContact O-N 3.29Å; D354-A356 WeakPolarHBondContact OD1-CB 3.12Å
355V47.5Very low60.1Low67 Ų67121.5 Ų121.541%0.40668%0.675SS.*  trans-79.514.9173.6-159.50000110.7D353 G357 I358D353-V355 HydrophobicContact CB-CG2 3.62Å; D353-V355 PolarHBondContact O-N 3.28Å; V355-G357 PolarHBondContact O-N 3.32Å; V355-I358 HydrophobicContact CG1-CB 4.1Å; V355-I358 HydrophobicContact CG1-CD1 4.35Å; V355-I358 HydrophobicContact CG1-CG1 4.42Å; V355-I358 PolarHBondContact O-N 2.79Å
356A49.1Very low59.7Low89 Ų89120.7 Ų120.774%0.73666%0.663SS**THydrogen-bonded Turntrans-60.3-10.1179.900000113.7D354D354-A356 PolarHBondContact O-N 3.29Å; D354-A356 WeakPolarHBondContact OD1-CB 3.12Å
357G53.1Low59.4Low73 Ų73119.8 Ų119.875%0.75365%0.654SS**THydrogen-bonded Turntrans-98.9-12.4179.400000117.3V355V355-G357 PolarHBondContact O-N 3.32Å
358I54.3Low58.8Low143 Ų143120 Ų12073%0.73365%0.649SS**THydrogen-bonded Turntrans-105.1-26.9-168.4-57.7-179.7000113.3V355V355-I358 HydrophobicContact CG1-CB 4.1Å; V355-I358 HydrophobicContact CG1-CD1 4.35Å; V355-I358 HydrophobicContact CG1-CG1 4.42Å; V355-I358 PolarHBondContact O-N 2.79Å
359I59.8Low58.1Low113 Ų113121.5 Ų121.558%0.57965%0.646SS**SBendtrans-100.1110.2-178.9-57.5175.1000109.3P348 P361P348-I359 HydrophobicContact CG-CD1 4.32Å; I359-P361 WeakPolarHBondContact O-CD 3.5Å
360K67Low58.3Low195 Ų195120.1 Ų120.185%0.84864%0.643SS**PPolyproline II helixtrans-68.2119.2174.5-71.4-177.7-178.6176.40109.3
361P67.2Low58.3Low66 Ų66118.3 Ų118.343%0.42964%0.644SS.*PPolyproline II helixtrans-65145176.526.9-34.2000110.6I359 L366I359-P361 WeakPolarHBondContact O-CD 3.5Å; P361-L366 HydrophobicContact CB-CD2 4.34Å; P361-L366 HydrophobicContact CG-CD2 3.6Å; P361-L366 HydrophobicContact CG-CG 4.49Å
362H70.4Confident57.9Low107 Ų107111.5 Ų111.550%0.49561%0.614SS.*PPolyproline II helixtrans-57.2136.2177.5-169.7-92.5000110.5E364 R365 L366H362-E364 IonicContact CE1-OE2 3.6Å; H362-E364 PolarHBondContact ND1-N 3.03Å; H362-E364 PolarHBondContact O-N 3.15Å; H362-E364 VanDerWaalsContact O-N 3.13Å; H362-R365 HydrophobicContact CB-CB 4.44Å; H362-R365 HydrophobicContact CB-CG 4.26Å; H362-R365 WeakPolarHBondContact O-CA 3.29Å; H362-R365 PolarHBondContact O-N 3.15Å; H362-L366 PolarHBondContact O-N 3.15Å
363P73.4Confident57.4Low93 Ų93108.6 Ų108.660%0.60461%0.606SS**G310 helixtrans-53.3-38.5-174.6-28.334.7000114.1R365 L366P363-R365 VanDerWaalsContact C-N 3.27Å; P363-R365 PolarHBondContact O-N 3.29Å; P363-L366 WeakPolarHBondContact O-CB 3.22Å; P363-L366 PolarHBondContact O-N 3.29Å
364E74.9Confident57.3Low157 Ų157108.7 Ų108.773%0.73461%0.612SS**G310 helixtrans-73.5-14.5178.2-60.3-177.3160.100114.1H362H362-E364 IonicContact CE1-OE2 3.6Å; H362-E364 PolarHBondContact ND1-N 3.03Å; H362-E364 PolarHBondContact O-N 3.15Å; H362-E364 VanDerWaalsContact O-N 3.13Å
365R70.2Confident57.1Low152 Ų152107.3 Ų107.357%0.57461%0.612SS**G310 helixtrans-92.8-14175.2-66.1-168.6178.1172.42.2112.9H362 P363 P367 I368 F369H362-R365 HydrophobicContact CB-CB 4.44Å; H362-R365 HydrophobicContact CB-CG 4.26Å; H362-R365 WeakPolarHBondContact O-CA 3.29Å; H362-R365 PolarHBondContact O-N 3.15Å; P363-R365 VanDerWaalsContact C-N 3.27Å; P363-R365 PolarHBondContact O-N 3.29Å; R365-P367 VanDerWaalsContact C-CD 3.47Å; R365-I368 PolarHBondContact O-N 3.08Å; R365-I368 VanDerWaalsContact O-N 3.16Å; R365-F369 HydrophobicContact CB-CD2 4.12Å; R365-F369 HydrophobicContact CB-CE2 4.34Å; R365-F369 WeakPolarHBondContact O-CD2 3.49Å; R365-F369 PolarHBondContact O-N 3.23Å
366L59.7Low56.9Low79 Ų79114.9 Ų114.941%0.41463%0.633SS.*Hα-helixtrans-54.8-43178.2-72.4168.2000113.8P361 H362 P363 I368 F369 V370P361-L366 HydrophobicContact CB-CD2 4.34Å; P361-L366 HydrophobicContact CG-CD2 3.6Å; P361-L366 HydrophobicContact CG-CG 4.49Å; H362-L366 PolarHBondContact O-N 3.15Å; P363-L366 WeakPolarHBondContact O-CB 3.22Å; P363-L366 PolarHBondContact O-N 3.29Å; L366-I368 PolarHBondContact O-N 3.18Å; L366-F369 PolarHBondContact O-N 3.28Å; L366-V370 WeakPolarHBondContact O-CB 3.39Å; L366-V370 WeakPolarHBondContact O-CG2 3.49Å; L366-V370 PolarHBondContact O-N 3.01Å
367P58.9Low56.6Low91 Ų91114.8 Ų114.859%0.59163%0.627SS**Hα-helixtrans-63.8-30.6179.6-21.233.6000113.3R365 A371R365-P367 VanDerWaalsContact C-CD 3.47Å; P367-A371 WeakPolarHBondContact O-CB 3.43Å; P367-A371 PolarHBondContact O-N 2.66Å
368I57.3Low56Low109 Ų109123.1 Ų123.156%0.55964%0.636SS**Hα-helixtrans-77-42.7178.3-59.2171.7000110.1R365 L366 A371 E372R365-I368 PolarHBondContact O-N 3.08Å; R365-I368 VanDerWaalsContact O-N 3.16Å; L366-I368 PolarHBondContact O-N 3.18Å; I368-A371 PolarHBondContact O-N 3.18Å; I368-E372 PolarHBondContact O-N 3.31Å
369F51.5Low55.5Low122 Ų122122.7 Ų122.754%0.53563%0.63SS.*Hα-helixtrans-69.7-34.3177.6-90.5-80.8000113.6R365 L366 A371 E372R365-F369 HydrophobicContact CB-CD2 4.12Å; R365-F369 HydrophobicContact CB-CE2 4.34Å; R365-F369 WeakPolarHBondContact O-CD2 3.49Å; R365-F369 PolarHBondContact O-N 3.23Å; L366-F369 PolarHBondContact O-N 3.28Å; F369-A371 VanDerWaalsContact C-N 3.3Å; F369-E372 PolarHBondContact O-N 2.82Å
370V54.4Low54.8Low122 Ų122123.7 Ų123.774%0.73964%0.642SS**Hα-helixtrans-74.7-23.3178.3175.40000111.7L366L366-V370 WeakPolarHBondContact O-CB 3.39Å; L366-V370 WeakPolarHBondContact O-CG2 3.49Å; L366-V370 PolarHBondContact O-N 3.01Å
371A52Low53.9Low75 Ų75121.3 Ų121.362%0.6264%0.638SS**Hα-helixtrans-83.8-19.2173.400000113.8P367 I368 F369 P373P367-A371 WeakPolarHBondContact O-CB 3.43Å; P367-A371 PolarHBondContact O-N 2.66Å; I368-A371 PolarHBondContact O-N 3.18Å; F369-A371 VanDerWaalsContact C-N 3.3Å; A371-P373 WeakPolarHBondContact O-CD 3.17Å
372E48.4Very low52.8Low57 Ų57124.6 Ų124.627%0.26665%0.652SS.*SBendtrans-96.2104.2173.3-74.4-170.116000109.6I368 F369 R396I368-E372 PolarHBondContact O-N 3.31Å; F369-E372 PolarHBondContact O-N 2.82Å; E372-R396 VanDerWaalsContact CD-NH2 3.28Å; E372-R396 IonicContact OE1-CZ 3.72Å; E372-R396 IonicContact OE1-NE 3.86Å; E372-R396 PolarHBondContact OE1-NE 3.03Å; E372-R396 IonicContact OE1-NH2 3.58Å; E372-R396 PolarHBondContact OE1-NH2 3.41Å; E372-R396 IonicContact OE2-NH2 3.92Å; E372-R396 PolarHBondContact OE2-NH2 3.01Å
373P42.8Very low51.6Low110 Ų110128.3 Ų128.371%0.71467%0.669SS**  trans-62.6143.617226.1-31.5000109.4A371A371-P373 WeakPolarHBondContact O-CD 3.17Å
374P45.6Very low50.2Low106 Ų106131.4 Ų131.469%0.68868%0.68SS**  trans-56.2145.4175.723.3-32.1000109.2R376P374-R376 PolarHBondContact O-N 3.28Å
375P42.1Very low48.6Very low128 Ų128129 Ų12983%0.83167%0.672SS**  trans-61.9102.5174.525.8-30.8000107.5S377P375-S377 PolarHBondContact O-N 2.99Å
376R43.2Very low47.5Very low226 Ų226127.9 Ų127.985%0.85369%0.685SS**  trans-58.9127.9168.2-75-174.4178.5175.8-0.3106.8P374 R378P374-R376 PolarHBondContact O-N 3.28Å; R376-R378 PolarHBondContact O-N 2.89Å; R376-R378 VanDerWaalsContact O-N 3.08Å
377S42.5Very low46.8Very low87 Ų87132 Ų13261%0.60870%0.702SS**  trans-46.7119166.143.40000108P375 H379P375-S377 PolarHBondContact O-N 2.99Å; S377-H379 VanDerWaalsContact C-N 3.32Å; S377-H379 PolarHBondContact O-N 3.2Å
378R40.3Very low45.9Very low247 Ų247136 Ų13693%0.93271%0.71SS**  trans-61.497.7172.8-82.8179.2166.2170.2-5.7107.7R376R376-R378 PolarHBondContact O-N 2.89Å; R376-R378 VanDerWaalsContact O-N 3.08Å
379H43.4Very low45.2Very low134 Ų134135.2 Ų135.262%0.6271%0.714SS**  trans-72.6128162.3-77.5-81.2000107.4S377 L381 D382S377-H379 VanDerWaalsContact C-N 3.32Å; S377-H379 PolarHBondContact O-N 3.2Å; H379-L381 PolarHBondContact O-N 3.25Å; H379-D382 PolarHBondContact O-N 3.33Å
380T44.7Very low44.6Very low135 Ų135139.5 Ų139.583%0.82873%0.732SS**THydrogen-bonded Turntrans-64.612-17746.10000114.7
381L49Very low44.1Very low145 Ų145141.6 Ų141.676%0.75973%0.734SS**THydrogen-bonded Turntrans-111.8-5.9-179.9-88.4155.6000113.9H379 E383H379-L381 PolarHBondContact O-N 3.25Å; L381-E383 VanDerWaalsContact C-N 3.28Å; L381-E383 PolarHBondContact O-N 3.42Å
382D43.7Very low43.7Very low135 Ų135147.3 Ų147.372%0.72275%0.748SS**G310 helixtrans-80.6-1.4178.2-94.7-20000113.9H379 L384H379-D382 PolarHBondContact O-N 3.33Å; D382-L384 VanDerWaalsContact C-N 3.28Å; D382-L384 PolarHBondContact O-N 3.47Å
383E45.6Very low43.7Very low185 Ų185147.5 Ų147.586%0.86477%0.765SS**G310 helixtrans-78.72.4-178.1-94-177.4167.300115.3L381L381-E383 VanDerWaalsContact C-N 3.28Å; L381-E383 PolarHBondContact O-N 3.42Å
384L44.9Very low44.1Very low157 Ų157147.7 Ų147.782%0.82276%0.764SS**G310 helixtrans-110.913.4-175.5-71.4172.9000115.7D382D382-L384 VanDerWaalsContact C-N 3.28Å; D382-L384 PolarHBondContact O-N 3.47Å
385N41.3Very low44.5Very low107 Ų107154 Ų15457%0.57277%0.774SS**  trans-114.7102.8176.4-159.2-6.6000112.4Q387N385-Q387 PolarHBondContact O-N 3.03Å; N385-Q387 VanDerWaalsContact O-N 3.1Å
386P45.8Very low45.6Very low129 Ų129157.1 Ų157.184%0.83877%0.769SS**  trans-76.411.1-176.829.9-33.2000114.5
387Q45.1Very low47.1Very low166 Ų166150.7 Ų150.778%0.77676%0.764SS**  trans-123.173.2177.3-71.1-159.6-20.500113.1N385N385-Q387 PolarHBondContact O-N 3.03Å; N385-Q387 VanDerWaalsContact O-N 3.1Å
388K40.1Very low48.9Very low174 Ų174154.5 Ų154.576%0.75777%0.77SS**  trans-140.3130.4152.3-73.1-168.9-179.9167.40111.1
389S42.1Very low50.9Low93 Ų93154 Ų15465%0.6577%0.768SS**  trans-47.8137.2176.146.70000112.8H391S389-H391 PolarHBondContact O-N 3.04Å
390K39.6Very low52.8Low211 Ų211153.7 Ų153.792%0.91777%0.766SS**  trans-53.1101.2170.5-75.5178.1177.4175.60109.7Q392K390-Q392 PolarHBondContact O-N 2.96Å
391H44Very low54.8Low167 Ų167152.5 Ų152.577%0.77376%0.755SS**  trans-64.1117.1166.4-79-73.8000108.1S389 G393S389-H391 PolarHBondContact O-N 3.04Å; H391-G393 VanDerWaalsContact C-N 3.26Å; H391-G393 PolarHBondContact O-N 3.19Å
392Q44Very low56.8Low195 Ų195147.1 Ų147.191%0.91173%0.734SS**  trans-67.288.2168-113.1163.1-8.600107.8K390 V394K390-Q392 PolarHBondContact O-N 2.96Å; Q392-V394 PolarHBondContact O-N 2.76Å
393G48Very low59.1Low61 Ų61143 Ų14363%0.62971%0.711SS**  trans-60.3131.3168.100000109.4H391 R395H391-G393 VanDerWaalsContact C-N 3.26Å; H391-G393 PolarHBondContact O-N 3.19Å; G393-R395 PolarHBondContact O-N 3.5Å; G393-R395 VanDerWaalsContact O-N 3.1Å
394V50.3Low61.4Low113 Ų113141.3 Ų141.369%0.68570%0.697SS**  trans-60114.7174.8179.90000108Q392 R396Q392-V394 PolarHBondContact O-N 2.76Å; V394-R396 PolarHBondContact O-N 3.24Å; V394-R396 VanDerWaalsContact O-N 3.16Å
395R55.6Low63.7Low240 Ų240135.5 Ų135.591%0.90667%0.669SS**  trans-72.1107.8175.9-70.4-174.2179.3-174.20108.4G393 A397G393-R395 PolarHBondContact O-N 3.5Å; G393-R395 VanDerWaalsContact O-N 3.1Å; R395-A397 PolarHBondContact O-N 3.21Å
396R64.1Low66.3Low193 Ų193138 Ų13873%0.72868%0.678SS**PPolyproline II helixtrans-67123.2170.6-72.5-175.3177.5178.6-1.3109.4E372 V394E372-R396 VanDerWaalsContact CD-NH2 3.28Å; E372-R396 IonicContact OE1-CZ 3.72Å; E372-R396 IonicContact OE1-NE 3.86Å; E372-R396 PolarHBondContact OE1-NE 3.03Å; E372-R396 IonicContact OE1-NH2 3.58Å; E372-R396 PolarHBondContact OE1-NH2 3.41Å; E372-R396 IonicContact OE2-NH2 3.92Å; E372-R396 PolarHBondContact OE2-NH2 3.01Å; V394-R396 PolarHBondContact O-N 3.24Å; V394-R396 VanDerWaalsContact O-N 3.16Å
397A75.6Confident68.6Low90 Ų90134.4 Ų134.474%0.74466%0.655SS**PPolyproline II helixtrans-69.6132.5172.800000109.6R395R395-A397 PolarHBondContact O-N 3.21Å
398K80.5Confident70.9Confident167 Ų167135.5 Ų135.573%0.72665%0.653SS**PPolyproline II helixtrans-101.5124.1172.8-172.7175.4-178.4176.60108.9H400K398-H400 PolarHBondContact O-CE1 3.43Å; K398-H400 PolarHBondContact O-ND1 2.9Å; K398-H400 VanDerWaalsContact O-ND1 3.16Å
399W81.1Confident73.5Confident237 Ų237128.3 Ų128.390%0.89862%0.623SS**PPolyproline II helixtrans-77.2147.6173.5-67.490000110.6
400H83.9Confident76Confident127 Ų127128.9 Ų128.959%0.58862%0.619SS**  trans-133.9145.5176.5-48.990.6000108.6K398K398-H400 PolarHBondContact O-CE1 3.43Å; K398-H400 PolarHBondContact O-ND1 2.9Å; K398-H400 VanDerWaalsContact O-ND1 3.16Å
401L86.7Confident78.7Confident111 Ų111122.4 Ų122.458%0.58160%0.595SS**SBendtrans-72.1133.7172.5-176.564.1000109.6L463L401-L463 HydrophobicContact CD2-CD2 4Å; L401-L463 HydrophobicContact CG-CD2 4.25Å; L401-L463 WeakPolarHBondContact O-CD1 3.48Å
402G91Very high81.2Confident31 Ų31115 Ų11532%0.3256%0.56SS.*SBendtrans52.2-149.8172.900000115.3L464G402-L464 WeakPolarHBondContact CA-O 3.35Å
403I92.8Very high83.7Confident50 Ų50106.3 Ų106.326%0.25652%0.52SS..EExtended strand (participates in β ladder)trans-123.2141.9173.566.6177.8000111L463 L464 F466 I559 L562I403-L463 WeakPolarHBondContact O-CA 3.44Å; I403-L463 WeakPolarHBondContact O-CD1 3.42Å; I403-L464 HydrophobicContact CD1-CD2 4.09Å; I403-L464 HydrophobicContact CG1-CB 3.87Å; I403-L464 HydrophobicContact CG1-CD2 4.26Å; I403-L464 PolarHBondContact N-O 2.86Å; I403-L464 VanDerWaalsContact N-O 3.07Å; I403-L464 PolarHBondContact O-N 2.74Å; I403-F466 HydrophobicContact CD1-CE2 4.42Å; I403-F466 HydrophobicContact CD1-CZ 4.2Å; I403-F466 HydrophobicContact CG1-CE2 4.05Å; I403-F466 HydrophobicContact CG1-CZ 4.33Å; I403-F466 HydrophobicContact CG2-CE2 4.37Å; I403-I559 HydrophobicContact CG2-CD1 4.16Å; I403-I559 HydrophobicContact CG2-CG1 3.96Å; I403-I559 HydrophobicContact CG2-CG2 4.1Å; I403-L562 HydrophobicContact CD1-CB 4.18Å; I403-L562 HydrophobicContact CD1-CD1 3.75Å
404R94Very high86Confident148 Ų148107 Ų10756%0.55851%0.512SS*.EExtended strand (participates in β ladder)trans-107.8144.6-178.1-62.8-177.6-175.6-156.5-1.4111.6T461 Y462 L463R404-T461 HydrophobicContact CB-CG2 4.14Å; R404-Y462 CarbonylContact C-O 3.49Å; R404-Y462 VanDerWaalsContact CA-O 3.24Å; R404-Y462 WeakPolarHBondContact CA-O 3.46Å; R404-L463 HydrophobicContact CG-CD1 4.03Å
405S93.1Very high88.1Confident35 Ų35105.5 Ų105.525%0.24550%0.498CS..EExtended strand (participates in β ladder)trans-141.3147.5175.2-179.90000111.1S407 Y462S405-S407 WeakPolarHBondContact OG-CB 3.22Å; S405-S407 PolarHBondContact OG-N 2.91Å; S405-S407 VanDerWaalsContact OG-N 3.14Å; S405-S407 PolarHBondContact OG-OG 3.25Å; S405-Y462 PolarHBondContact N-O 2.88Å; S405-Y462 PolarHBondContact O-N 3.39Å
406Q94.5Very high90.1Very high161 Ų16194.1 Ų94.175%0.75246%0.455SS*.  trans-98.90.9173.2-65.8-179.9-10.200112.5R460Q406-R460 WeakPolarHBondContact CA-O 3.14Å
407S94.4Very high91.6Very high52 Ų5286.7 Ų86.736%0.36443%0.432SS..SBendtrans-67.1165.2175.5-62.10000111.4S405 I412 Y462S405-S407 WeakPolarHBondContact OG-CB 3.22Å; S405-S407 PolarHBondContact OG-N 2.91Å; S405-S407 VanDerWaalsContact OG-N 3.14Å; S405-S407 PolarHBondContact OG-OG 3.25Å; S407-I412 WeakPolarHBondContact O-CD1 3.16Å; S407-Y462 WeakPolarHBondContact O-CD2 3.35Å
408R94.4Very high92.6Very high190 Ų19089.6 Ų89.672%0.71742%0.424SS*.  trans-67.9147.1177.8-57.4176.2173.1173.4-1.2110N410 D411 I412R408-N410 VanDerWaalsContact C-N 3.32Å; R408-N410 PolarHBondContact O-N 2.87Å; R408-D411 HydrophobicContact CB-CB 4.46Å; R408-D411 WeakPolarHBondContact CB-OD2 3.44Å; R408-D411 WeakPolarHBondContact O-CB 3.34Å; R408-D411 PolarHBondContact O-N 3.07Å; R408-I412 WeakPolarHBondContact O-CG1 3.29Å; R408-I412 PolarHBondContact O-N 3.01Å
409P94.2Very high93.3Very high22 Ų2281.9 Ų81.914%0.14339%0.391CS..Hα-helixtrans-52.9-44.4-176.8-3137.3000114.5D411 I412 M413 Y433 L454 Y462P409-D411 VanDerWaalsContact C-N 3.31Å; P409-D411 PolarHBondContact O-N 3.17Å; P409-I412 PolarHBondContact O-N 3.34Å; P409-M413 WeakPolarHBondContact O-CG 3.33Å; P409-M413 PolarHBondContact O-N 2.67Å; P409-Y433 HydrophobicContact CB-CD1 4.39Å; P409-Y433 HydrophobicContact CB-CE1 3.54Å; P409-L454 HydrophobicContact CB-CD2 3.98Å; P409-Y462 HydrophobicContact CG-CD1 4.04Å; P409-Y462 HydrophobicContact CG-CD2 4.3Å; P409-Y462 HydrophobicContact CG-CE1 3.44Å; P409-Y462 VanDerWaalsContact CG-CE1 3.44Å; P409-Y462 HydrophobicContact CG-CE2 3.76Å; P409-Y462 HydrophobicContact CG-CG 4.44Å; P409-Y462 WeakPolarHBondContact CG-OH 3.36Å
410N94.6Very high94.1Very high105 Ų10570.6 Ų70.656%0.56135%0.349SS*.Hα-helixtrans-66.9-34.4-179.8-66.5-25.8000112.3R408 T414R408-N410 VanDerWaalsContact C-N 3.32Å; R408-N410 PolarHBondContact O-N 2.87Å; N410-T414 WeakPolarHBondContact O-CB 3.26Å; N410-T414 PolarHBondContact O-N 2.77Å; N410-T414 PolarHBondContact O-OG1 3.39Å
411D95.4Very high94.6Very high76 Ų7672.3 Ų72.341%0.40635%0.354SS..Hα-helixtrans-69.2-45.4178.4-58-23000109.4R408 P409 M413 T414 E415R408-D411 HydrophobicContact CB-CB 4.46Å; R408-D411 WeakPolarHBondContact CB-OD2 3.44Å; R408-D411 WeakPolarHBondContact O-CB 3.34Å; R408-D411 PolarHBondContact O-N 3.07Å; P409-D411 VanDerWaalsContact C-N 3.31Å; P409-D411 PolarHBondContact O-N 3.17Å; D411-M413 PolarHBondContact O-N 2.79Å; D411-T414 WeakPolarHBondContact O-CB 3.47Å; D411-T414 PolarHBondContact O-N 3.31Å; D411-T414 VanDerWaalsContact O-N 3.17Å; D411-E415 WeakPolarHBondContact O-CG 3.49Å; D411-E415 PolarHBondContact O-N 3.18Å
412I95.9Very high95Very high10 Ų1073.4 Ų73.45%0.05136%0.357CS..Hα-helixtrans-55.7-52.1174.1-62.3167.2000110.3S407 R408 P409 T414 E415 V416 L454 Y462S407-I412 WeakPolarHBondContact O-CD1 3.16Å; R408-I412 WeakPolarHBondContact O-CG1 3.29Å; R408-I412 PolarHBondContact O-N 3.01Å; P409-I412 PolarHBondContact O-N 3.34Å; I412-T414 VanDerWaalsContact C-N 3.26Å; I412-T414 PolarHBondContact O-N 2.96Å; I412-E415 PolarHBondContact O-N 3.46Å; I412-V416 HydrophobicContact CG2-CG2 4.4Å; I412-V416 VanDerWaalsContact O-CG2 3.3Å; I412-V416 WeakPolarHBondContact O-CG2 3.22Å; I412-V416 PolarHBondContact O-N 3.44Å; I412-L454 HydrophobicContact CD1-CD1 4.41Å; I412-L454 HydrophobicContact CG2-CD1 3.86Å; I412-L454 HydrophobicContact CG2-CD2 4.47Å; I412-Y462 HydrophobicContact CD1-CD2 4.06Å; I412-Y462 HydrophobicContact CD1-CG 4.17Å
413M97Very high95.2Very high13 Ų1374.2 Ų74.26%0.06435%0.353CS..Hα-helixtrans-64.6-31.9-178.8-65.3-52-63.300112.6P409 D411 V416 C417 Y433 L435 L454P409-M413 WeakPolarHBondContact O-CG 3.33Å; P409-M413 PolarHBondContact O-N 2.67Å; D411-M413 PolarHBondContact O-N 2.79Å; M413-V416 PolarHBondContact O-N 3.09Å; M413-C417 PolarHBondContact O-N 2.98Å; M413-C417 PolarHBondContact O-SG 3.07Å; M413-Y433 HydrophobicContact CG-CD1 3.84Å; M413-Y433 HydrophobicContact CG-CE1 4.35Å; M413-Y433 HydrophobicContact SD-CD1 4.49Å; M413-L435 HydrophobicContact CE-CD1 3.5Å; M413-L435 HydrophobicContact CE-CD2 4.4Å; M413-L435 HydrophobicContact CE-CG 3.75Å; M413-L454 HydrophobicContact CG-CD2 4.18Å; M413-L454 HydrophobicContact SD-CB 3.88Å; M413-L454 HydrophobicContact SD-CD2 4.04Å; M413-L454 HydrophobicContact SD-CG 4.44Å
414T95.8Very high95.2Very high76 Ų7678.7 Ų78.747%0.46638%0.377SS..Hα-helixtrans-67.1-43175-59.50000111.3N410 D411 I412 C417 R418N410-T414 WeakPolarHBondContact O-CB 3.26Å; N410-T414 PolarHBondContact O-N 2.77Å; N410-T414 PolarHBondContact O-OG1 3.39Å; D411-T414 WeakPolarHBondContact O-CB 3.47Å; D411-T414 PolarHBondContact O-N 3.31Å; D411-T414 VanDerWaalsContact O-N 3.17Å; I412-T414 VanDerWaalsContact C-N 3.26Å; I412-T414 PolarHBondContact O-N 2.96Å; T414-C417 PolarHBondContact O-N 3.05Å; T414-R418 WeakPolarHBondContact O-CB 3.33Å; T414-R418 PolarHBondContact O-N 2.78Å
415E96.1Very high95.3Very high82 Ų8272 Ų7238%0.38335%0.353SS..Hα-helixtrans-63.4-43.5174.6-72.8173.3179.100111.6D411 I412 C417 R418 A419 L562D411-E415 WeakPolarHBondContact O-CG 3.49Å; D411-E415 PolarHBondContact O-N 3.18Å; I412-E415 PolarHBondContact O-N 3.46Å; E415-C417 PolarHBondContact O-N 3.17Å; E415-R418 PolarHBondContact O-N 3.05Å; E415-A419 WeakPolarHBondContact O-CB 3.18Å; E415-A419 PolarHBondContact O-N 3.16Å; E415-L562 HydrophobicContact CB-CD2 4.1Å
416V96.5Very high95.4Very high1 Ų175.4 Ų75.41%0.00636%0.364CS..Hα-helixtrans-57.1-49.7173.9173.30000110.9I412 M413 R418 A419 M420 L435 L452 L464 L562I412-V416 HydrophobicContact CG2-CG2 4.4Å; I412-V416 VanDerWaalsContact O-CG2 3.3Å; I412-V416 WeakPolarHBondContact O-CG2 3.22Å; I412-V416 PolarHBondContact O-N 3.44Å; M413-V416 PolarHBondContact O-N 3.09Å; V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 2.72Å; V416-A419 PolarHBondContact O-N 3.25Å; V416-M420 HydrophobicContact CG1-CE 4.21Å; V416-M420 HydrophobicContact CG1-CG 4.5Å; V416-M420 HydrophobicContact CG1-SD 4.38Å; V416-M420 VanDerWaalsContact O-CG 3.31Å; V416-M420 WeakPolarHBondContact O-CG 3.42Å; V416-M420 PolarHBondContact O-N 3.02Å; V416-L435 HydrophobicContact CG1-CD1 4.05Å; V416-L452 HydrophobicContact CG1-CD1 3.75Å; V416-L464 HydrophobicContact CG2-CD1 4.5Å; V416-L464 HydrophobicContact CG2-CD2 3.59Å; V416-L562 HydrophobicContact CG2-CD1 4Å; V416-L562 HydrophobicContact CG2-CD2 4.15Å
417C95.8Very high95.5Very high36 Ų3671.9 Ų71.924%0.24334%0.344CS..Hα-helixtrans-63.3-38.1178.2-66.70000112.5M413 T414 E415 M420 K421 W427M413-C417 PolarHBondContact O-N 2.98Å; M413-C417 PolarHBondContact O-SG 3.07Å; T414-C417 PolarHBondContact O-N 3.05Å; E415-C417 PolarHBondContact O-N 3.17Å; C417-M420 HydrophobicContact CB-CE 4.48Å; C417-K421 WeakPolarHBondContact O-CB 3.45Å; C417-K421 PolarHBondContact O-N 3.47Å; C417-W427 HydrophobicContact CB-CZ2 4.37Å
418R96.1Very high95.6Very high152 Ų15276.6 Ų76.657%0.57436%0.358SS*.Hα-helixtrans-64.4-45.6176.3-173.1-175-65.9124.6-0.8111.4T414 E415 V416 K421 Q422T414-R418 WeakPolarHBondContact O-CB 3.33Å; T414-R418 PolarHBondContact O-N 2.78Å; E415-R418 PolarHBondContact O-N 3.05Å; V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 2.72Å; R418-K421 WeakPolarHBondContact O-CB 3.5Å; R418-K421 PolarHBondContact O-N 3.16Å; R418-Q422 PolarHBondContact O-N 3.26Å
419A96.6Very high95.6Very high5 Ų571.7 Ų71.74%0.04135%0.349CS..Hα-helixtrans-64.8-43178.800000111.7E415 V416 K421 Q422 L423 L558 L561 L562E415-A419 WeakPolarHBondContact O-CB 3.18Å; E415-A419 PolarHBondContact O-N 3.16Å; V416-A419 PolarHBondContact O-N 3.25Å; A419-K421 VanDerWaalsContact C-N 3.34Å; A419-K421 PolarHBondContact O-N 3.04Å; A419-Q422 WeakPolarHBondContact O-CB 3.17Å; A419-Q422 PolarHBondContact O-N 2.94Å; A419-L423 WeakPolarHBondContact O-CG 3.5Å; A419-L423 PolarHBondContact O-N 2.81Å; A419-L558 HydrophobicContact CB-CD1 3.58Å; A419-L561 HydrophobicContact CB-CB 3.91Å; A419-L561 HydrophobicContact CB-CD1 4.19Å; A419-L562 HydrophobicContact CB-CD2 3.94Å; A419-L562 HydrophobicContact CB-CG 4.27Å
420M96.3Very high95.5Very high0 Ų074.2 Ų74.20%036%0.364CS..Hα-helixtrans-60.6-42173.8-70.8-169.2-55.800112.3V416 C417 Q422 L423 D424 Y425 W427 L435 V437 L452 L558V416-M420 HydrophobicContact CG1-CE 4.21Å; V416-M420 HydrophobicContact CG1-CG 4.5Å; V416-M420 HydrophobicContact CG1-SD 4.38Å; V416-M420 VanDerWaalsContact O-CG 3.31Å; V416-M420 WeakPolarHBondContact O-CG 3.42Å; V416-M420 PolarHBondContact O-N 3.02Å; C417-M420 HydrophobicContact CB-CE 4.48Å; M420-Q422 VanDerWaalsContact C-N 3.29Å; M420-Q422 PolarHBondContact O-N 3.22Å; M420-L423 PolarHBondContact O-N 3.25Å; M420-D424 PolarHBondContact O-N 3.24Å; M420-Y425 HydrophobicContact CG-CD2 4.42Å; M420-Y425 PolarHBondContact O-N 2.87Å; M420-W427 HydrophobicContact CB-CD2 4.42Å; M420-W427 HydrophobicContact CB-CE3 3.64Å; M420-W427 HydrophobicContact CB-CH2 4.27Å; M420-W427 HydrophobicContact CB-CZ3 3.56Å; M420-W427 HydrophobicContact CE-CB 4.08Å; M420-W427 HydrophobicContact CE-CD2 3.38Å; M420-W427 HydrophobicContact CE-CE3 3.73Å; M420-W427 HydrophobicContact CE-CG 3.52Å; M420-W427 HydrophobicContact CE-CZ2 4.41Å; M420-W427 HydrophobicContact CE-CZ3 4.39Å; M420-W427 HydrophobicContact CG-CE3 4.5Å; M420-W427 HydrophobicContact SD-CB 4.26Å; M420-W427 HydrophobicContact SD-CD2 4.22Å; M420-W427 HydrophobicContact SD-CE3 4.13Å; M420-W427 HydrophobicContact SD-CG 4.28Å; M420-L435 HydrophobicContact CE-CD1 3.65Å; M420-V437 HydrophobicContact SD-CB 4.28Å; M420-V437 HydrophobicContact SD-CG1 3.74Å; M420-V437 HydrophobicContact SD-CG2 3.46Å; M420-V437 WeakPolarHBondContact SD-CG2 3.42Å; M420-L452 HydrophobicContact SD-CD1 3.88Å; M420-L558 HydrophobicContact CG-CD1 3.9Å; M420-L558 HydrophobicContact CG-CD2 4.17Å
421K95.4Very high95.3Very high162 Ų16272.2 Ų72.270%0.70435%0.353SS*.Hα-helixtrans-60.2-40.2175.1-166.5175.7178.1178.20112C417 R418 A419 L423 D424 W427C417-K421 WeakPolarHBondContact O-CB 3.45Å; C417-K421 PolarHBondContact O-N 3.47Å; R418-K421 WeakPolarHBondContact O-CB 3.5Å; R418-K421 PolarHBondContact O-N 3.16Å; A419-K421 VanDerWaalsContact C-N 3.34Å; A419-K421 PolarHBondContact O-N 3.04Å; K421-L423 VanDerWaalsContact C-N 3.3Å; K421-L423 PolarHBondContact O-N 2.68Å; K421-D424 PolarHBondContact O-N 3.44Å; K421-W427 HydrophobicContact CB-CH2 3.86Å; K421-W427 HydrophobicContact CB-CZ3 4.38Å; K421-W427 HydrophobicContact CG-CH2 4.46Å
422Q95.6Very high95.3Very high135 Ų13573 Ų7363%0.63136%0.362SS*.Hα-helixtrans-68.5-29.5178.9-176173.72.300112.8R418 A419 M420 D424 L561R418-Q422 PolarHBondContact O-N 3.26Å; A419-Q422 WeakPolarHBondContact O-CB 3.17Å; A419-Q422 PolarHBondContact O-N 2.94Å; M420-Q422 VanDerWaalsContact C-N 3.29Å; M420-Q422 PolarHBondContact O-N 3.22Å; Q422-D424 VanDerWaalsContact C-N 3.3Å; Q422-L561 HydrophobicContact CB-CD1 4.14Å; Q422-L561 HydrophobicContact CG-CD1 4.17Å
423L94.2Very high95.2Very high48 Ų4876.5 Ų76.525%0.25138%0.376SS..THydrogen-bonded Turntrans-872.4176.6-66.2171.7000113.8A419 M420 K421 Y425 N557 L558 L561A419-L423 WeakPolarHBondContact O-CG 3.5Å; A419-L423 PolarHBondContact O-N 2.81Å; M420-L423 PolarHBondContact O-N 3.25Å; K421-L423 VanDerWaalsContact C-N 3.3Å; K421-L423 PolarHBondContact O-N 2.68Å; L423-Y425 HydrophobicContact CB-CD1 3.76Å; L423-Y425 HydrophobicContact CB-CD2 4.28Å; L423-Y425 HydrophobicContact CB-CE1 3.64Å; L423-Y425 HydrophobicContact CB-CE2 4.2Å; L423-Y425 HydrophobicContact CB-CG 4.07Å; L423-Y425 HydrophobicContact CD1-CD2 4.38Å; L423-Y425 HydrophobicContact CD1-CE1 4.48Å; L423-Y425 HydrophobicContact CD1-CE2 3.8Å; L423-Y425 VanDerWaalsContact O-CD1 3.27Å; L423-Y425 WeakPolarHBondContact O-CD1 3.17Å; L423-Y425 WeakPolarHBondContact O-CE1 3.32Å; L423-Y425 PolarHBondContact O-N 2.81Å; L423-N557 HydrophobicContact CD1-CB 4.11Å; L423-N557 HydrophobicContact CD2-CB 4.2Å; L423-L558 HydrophobicContact CD1-CB 4.17Å; L423-L558 HydrophobicContact CD1-CD1 4.12Å; L423-L561 HydrophobicContact CD1-CD1 3.82Å; L423-L561 HydrophobicContact CD2-CD1 3.67Å; L423-L561 HydrophobicContact CG-CD1 3.46Å; L423-L561 VanDerWaalsContact CG-CD1 3.46Å
424D94.1Very high95.1Very high143 Ų14378.3 Ų78.377%0.76538%0.382SS*.THydrogen-bonded Turntrans55.339.8-174.2-160.136.8000112.6M420 K421 Q422M420-D424 PolarHBondContact O-N 3.24Å; K421-D424 PolarHBondContact O-N 3.44Å; Q422-D424 VanDerWaalsContact C-N 3.3Å
425Y95.8Very high95.1Very high9 Ų974.9 Ų74.94%0.03536%0.361CS..  trans-85146.3172.7-68.50.4000109.4M420 L423 W427 V437 R439 M450 M554M420-Y425 HydrophobicContact CG-CD2 4.42Å; M420-Y425 PolarHBondContact O-N 2.87Å; L423-Y425 HydrophobicContact CB-CD1 3.76Å; L423-Y425 HydrophobicContact CB-CD2 4.28Å; L423-Y425 HydrophobicContact CB-CE1 3.64Å; L423-Y425 HydrophobicContact CB-CE2 4.2Å; L423-Y425 HydrophobicContact CB-CG 4.07Å; L423-Y425 HydrophobicContact CD1-CD2 4.38Å; L423-Y425 HydrophobicContact CD1-CE1 4.48Å; L423-Y425 HydrophobicContact CD1-CE2 3.8Å; L423-Y425 VanDerWaalsContact O-CD1 3.27Å; L423-Y425 WeakPolarHBondContact O-CD1 3.17Å; L423-Y425 WeakPolarHBondContact O-CE1 3.32Å; L423-Y425 PolarHBondContact O-N 2.81Å; Y425-W427 WeakPolarHBondContact O-CZ3 3.37Å; Y425-V437 HydrophobicContact CD2-CG1 3.94Å; Y425-V437 HydrophobicContact CG-CG1 4.22Å; Y425-R439 HydrophobicContact CD1-CB 4.02Å; Y425-R439 HydrophobicContact CD1-CG 3.89Å; Y425-R439 HydrophobicContact CE1-CB 4.08Å; Y425-R439 VanDerWaalsContact CE1-CD 3.44Å; Y425-R439 HydrophobicContact CE1-CG 3.66Å; Y425-M450 HydrophobicContact CE2-CE 4.41Å; Y425-M554 HydrophobicContact CD2-CE 3.7Å; Y425-M554 HydrophobicContact CD2-CG 4.28Å; Y425-M554 HydrophobicContact CE2-CE 3.89Å; Y425-M554 HydrophobicContact CE2-CG 3.48Å; Y425-M554 VanDerWaalsContact CE2-CG 3.48Å; Y425-M554 HydrophobicContact CG-CE 4.12Å
426E95.3Very high95.2Very high105 Ų10575 Ų7549%0.49136%0.358SS..EExtended strand (participates in β ladder)trans-103.7136.5174.1-61.7178.8-173.500108.7V437 R438E426-V437 CarbonylContact O-C 3.56Å; E426-V437 WeakPolarHBondContact O-CA 3.45Å; E426-R438 HydrophobicContact CB-CG 3.77Å; E426-R438 PolarHBondContact N-O 2.91Å; E426-R438 PolarHBondContact O-N 3.27Å; E426-R438 IonicContact OE2-CZ 3.02Å; E426-R438 IonicContact OE2-NE 3.04Å; E426-R438 PolarHBondContact OE2-NE 3.11Å; E426-R438 IonicContact OE2-NH2 2.62Å; E426-R438 PolarHBondContact OE2-NH2 2.85Å
427W96.8Very high95.1Very high88 Ų8875 Ų7533%0.33336%0.358SS..EExtended strand (participates in β ladder)trans-140.2155.5-178.764.791.4000113.6C417 M420 K421 Y425 R436 V437C417-W427 HydrophobicContact CB-CZ2 4.37Å; M420-W427 HydrophobicContact CB-CD2 4.42Å; M420-W427 HydrophobicContact CB-CE3 3.64Å; M420-W427 HydrophobicContact CB-CH2 4.27Å; M420-W427 HydrophobicContact CB-CZ3 3.56Å; M420-W427 HydrophobicContact CE-CB 4.08Å; M420-W427 HydrophobicContact CE-CD2 3.38Å; M420-W427 HydrophobicContact CE-CE3 3.73Å; M420-W427 HydrophobicContact CE-CG 3.52Å; M420-W427 HydrophobicContact CE-CZ2 4.41Å; M420-W427 HydrophobicContact CE-CZ3 4.39Å; M420-W427 HydrophobicContact CG-CE3 4.5Å; M420-W427 HydrophobicContact SD-CB 4.26Å; M420-W427 HydrophobicContact SD-CD2 4.22Å; M420-W427 HydrophobicContact SD-CE3 4.13Å; M420-W427 HydrophobicContact SD-CG 4.28Å; K421-W427 HydrophobicContact CB-CH2 3.86Å; K421-W427 HydrophobicContact CB-CZ3 4.38Å; K421-W427 HydrophobicContact CG-CH2 4.46Å; Y425-W427 WeakPolarHBondContact O-CZ3 3.37Å; W427-R436 CarbonylContact C-O 3.56Å; W427-R436 WeakPolarHBondContact CA-O 3.5Å; W427-R436 WeakPolarHBondContact CB-O 3.24Å; W427-V437 HydrophobicContact CB-CB 4.45Å; W427-V437 HydrophobicContact CB-CG1 4.33Å; W427-V437 HydrophobicContact CB-CG2 4.19Å
428K96.1Very high95.1Very high151 Ų15179.2 Ų79.266%0.65737%0.369SS*.EExtended strand (participates in β ladder)trans-116.9127.2170.9-176.8177.6179.8178.60109.1V430 R436K428-V430 PolarHBondContact O-N 3.36Å; K428-R436 PolarHBondContact N-O 3.4Å; K428-R436 PolarHBondContact O-N 3.05Å
429V94.6Very high94.9Very high86 Ų8674.2 Ų74.252%0.52135%0.35SS..EExtended strand (participates in β ladder)trans-79117172.6-173.40000108.2N431 L435V429-N431 WeakPolarHBondContact CG1-O 3.3Å; V429-L435 HydrophobicContact CB-CD2 4.12Å; V429-L435 HydrophobicContact CG1-CD2 4.07Å; V429-L435 HydrophobicContact CG2-CD2 3.76Å
430V91Very high94.5Very high75 Ų7580.6 Ų80.646%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-92.7-41.5175.1179.60000109.8K428 Y434 R436K428-V430 PolarHBondContact O-N 3.36Å; V430-Y434 HydrophobicContact CB-CD1 3.42Å; V430-Y434 VanDerWaalsContact CB-CD1 3.42Å; V430-Y434 HydrophobicContact CB-CE1 3.92Å; V430-Y434 HydrophobicContact CB-CG 4.27Å; V430-Y434 HydrophobicContact CG1-CD1 3.55Å; V430-Y434 HydrophobicContact CG1-CE1 3.9Å; V430-Y434 HydrophobicContact CG2-CD1 3.95Å; V430-Y434 HydrophobicContact CG2-CE1 3.97Å; V430-Y434 PolarHBondContact N-O 3.27Å; V430-R436 HydrophobicContact CG2-CG 3.93Å
431N91.4Very high93.9Very high63 Ų6381.3 Ų81.334%0.33738%0.38SS..EExtended strand (participates in β ladder)trans-147.9171.8166.374.849.5000109.3V429 Y433 Y434V429-N431 WeakPolarHBondContact CG1-O 3.3Å; N431-Y433 PolarHBondContact O-N 3.48Å; N431-Y433 WeakPolarHBondContact OD1-CA 3.45Å; N431-Y433 PolarHBondContact OD1-N 2.9Å; N431-Y434 PolarHBondContact N-O 2.91Å; N431-Y434 WeakPolarHBondContact ND2-CB 3.06Å; N431-Y434 PolarHBondContact O-N 3.4Å; N431-Y434 VanDerWaalsContact OD1-CB 3.28Å; N431-Y434 WeakPolarHBondContact OD1-CB 3.49Å; N431-Y434 PolarHBondContact OD1-N 2.77Å
432P94.1Very high93.2Very high92 Ų9278.7 Ų78.760%0.59738%0.38SS*.THydrogen-bonded Turntrans-55.3-22.1-175.5-28.736.7000116
433Y95.5Very high92.5Very high85 Ų8579.4 Ų79.433%0.33339%0.386SS..THydrogen-bonded Turntrans-120.29.5-177.3-56.4-56.3000112.7P409 M413 N431 Q453 L454P409-Y433 HydrophobicContact CB-CD1 4.39Å; P409-Y433 HydrophobicContact CB-CE1 3.54Å; M413-Y433 HydrophobicContact CG-CD1 3.84Å; M413-Y433 HydrophobicContact CG-CE1 4.35Å; M413-Y433 HydrophobicContact SD-CD1 4.49Å; N431-Y433 PolarHBondContact O-N 3.48Å; N431-Y433 WeakPolarHBondContact OD1-CA 3.45Å; N431-Y433 PolarHBondContact OD1-N 2.9Å; Y433-Q453 WeakPolarHBondContact O-CA 3.14Å; Y433-Q453 PolarHBondContact O-NE2 3.11Å; Y433-Q453 VanDerWaalsContact O-NE2 3.08Å; Y433-L454 HydrophobicContact CD1-CB 4.49Å; Y433-L454 HydrophobicContact CD1-CD2 3.96Å; Y433-L454 HydrophobicContact CE1-CD2 4.46Å; Y433-L454 PolarHBondContact O-N 2.98Å
434Y94.9Very high91.8Very high50 Ų5079.3 Ų79.320%0.19639%0.388CS..EExtended strand (participates in β ladder)trans-135.1116.9-178-172.4-136.8000111.5V430 N431 R436 L452 Q453V430-Y434 HydrophobicContact CB-CD1 3.42Å; V430-Y434 VanDerWaalsContact CB-CD1 3.42Å; V430-Y434 HydrophobicContact CB-CE1 3.92Å; V430-Y434 HydrophobicContact CB-CG 4.27Å; V430-Y434 HydrophobicContact CG1-CD1 3.55Å; V430-Y434 HydrophobicContact CG1-CE1 3.9Å; V430-Y434 HydrophobicContact CG2-CD1 3.95Å; V430-Y434 HydrophobicContact CG2-CE1 3.97Å; V430-Y434 PolarHBondContact N-O 3.27Å; N431-Y434 PolarHBondContact N-O 2.91Å; N431-Y434 WeakPolarHBondContact ND2-CB 3.06Å; N431-Y434 PolarHBondContact O-N 3.4Å; N431-Y434 VanDerWaalsContact OD1-CB 3.28Å; N431-Y434 WeakPolarHBondContact OD1-CB 3.49Å; N431-Y434 PolarHBondContact OD1-N 2.77Å; Y434-R436 HydrophobicContact CE1-CG 4.49Å; Y434-L452 WeakPolarHBondContact CA-O 3.19Å; Y434-L452 WeakPolarHBondContact CD2-O 3.26Å; Y434-Q453 HydrophobicContact CD2-CB 4.05Å
435L95.9Very high91.2Very high4 Ų474.3 Ų74.32%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-121.2138.7-177.3-53.7174.7000109.9M413 V416 M420 V429 V437 S451 L452M413-L435 HydrophobicContact CE-CD1 3.5Å; M413-L435 HydrophobicContact CE-CD2 4.4Å; M413-L435 HydrophobicContact CE-CG 3.75Å; V416-L435 HydrophobicContact CG1-CD1 4.05Å; M420-L435 HydrophobicContact CE-CD1 3.65Å; V429-L435 HydrophobicContact CB-CD2 4.12Å; V429-L435 HydrophobicContact CG1-CD2 4.07Å; V429-L435 HydrophobicContact CG2-CD2 3.76Å; L435-V437 HydrophobicContact CB-CG2 4.35Å; L435-S451 CarbonylContact O-C 3.53Å; L435-S451 WeakPolarHBondContact O-CA 3.47Å; L435-L452 HydrophobicContact CB-CB 4.28Å; L435-L452 PolarHBondContact N-O 2.89Å; L435-L452 PolarHBondContact O-N 3Å
436R96.3Very high90.6Very high84 Ų8476.8 Ų76.832%0.31738%0.383SS..EExtended strand (participates in β ladder)trans-105.7121.1165.6-69.5-174.470.11783108.4W427 K428 V430 Y434 I469W427-R436 CarbonylContact C-O 3.56Å; W427-R436 WeakPolarHBondContact CA-O 3.5Å; W427-R436 WeakPolarHBondContact CB-O 3.24Å; K428-R436 PolarHBondContact N-O 3.4Å; K428-R436 PolarHBondContact O-N 3.05Å; V430-R436 HydrophobicContact CG2-CG 3.93Å; Y434-R436 HydrophobicContact CE1-CG 4.49Å; R436-I469 HydrophobicContact CG-CD1 4.42Å
437V96Very high90.2Very high3 Ų376.1 Ų76.12%0.01838%0.38CS..EExtended strand (participates in β ladder)trans-115.2139.8-172.3-163.50000108.5M420 Y425 E426 W427 L435 K449 M450 L452 M554M420-V437 HydrophobicContact SD-CB 4.28Å; M420-V437 HydrophobicContact SD-CG1 3.74Å; M420-V437 HydrophobicContact SD-CG2 3.46Å; M420-V437 WeakPolarHBondContact SD-CG2 3.42Å; Y425-V437 HydrophobicContact CD2-CG1 3.94Å; Y425-V437 HydrophobicContact CG-CG1 4.22Å; E426-V437 CarbonylContact O-C 3.56Å; E426-V437 WeakPolarHBondContact O-CA 3.45Å; W427-V437 HydrophobicContact CB-CB 4.45Å; W427-V437 HydrophobicContact CB-CG1 4.33Å; W427-V437 HydrophobicContact CB-CG2 4.19Å; L435-V437 HydrophobicContact CB-CG2 4.35Å; V437-K449 WeakPolarHBondContact O-CA 3.31Å; V437-M450 HydrophobicContact CB-CE 4.24Å; V437-M450 HydrophobicContact CB-CG 4.01Å; V437-M450 HydrophobicContact CG1-CE 4.31Å; V437-M450 HydrophobicContact CG2-CE 4.36Å; V437-M450 HydrophobicContact CG2-CG 4.48Å; V437-M450 PolarHBondContact N-O 2.97Å; V437-M450 PolarHBondContact O-N 3.12Å; V437-M450 VanDerWaalsContact O-O 3.14Å; V437-L452 HydrophobicContact CG2-CD1 3.71Å; V437-L452 HydrophobicContact CG2-CG 3.88Å; V437-M554 HydrophobicContact CB-CE 3.82Å; V437-M554 HydrophobicContact CG1-CE 3.36Å
438R94.8Very high89.9Confident123 Ų12372.1 Ų72.146%0.46437%0.365SS..EExtended strand (participates in β ladder)trans-128.9146.4173.271179.2-178.7-1711.1110.1E426 T448 K449E426-R438 HydrophobicContact CB-CG 3.77Å; E426-R438 PolarHBondContact N-O 2.91Å; E426-R438 PolarHBondContact O-N 3.27Å; E426-R438 IonicContact OE2-CZ 3.02Å; E426-R438 IonicContact OE2-NE 3.04Å; E426-R438 PolarHBondContact OE2-NE 3.11Å; E426-R438 IonicContact OE2-NH2 2.62Å; E426-R438 PolarHBondContact OE2-NH2 2.85Å; R438-T448 WeakPolarHBondContact CA-O 3.23Å; R438-K449 HydrophobicContact CB-CG 4.08Å
439R92.6Very high89.8Confident48 Ų4867.4 Ų67.418%0.18134%0.344CS..EExtended strand (participates in β ladder)trans-135.7134.2173.4179.7-162.9176.9-159.4-6.5108.2Y425 Q447 T448 E553 M554Y425-R439 HydrophobicContact CD1-CB 4.02Å; Y425-R439 HydrophobicContact CD1-CG 3.89Å; Y425-R439 HydrophobicContact CE1-CB 4.08Å; Y425-R439 VanDerWaalsContact CE1-CD 3.44Å; Y425-R439 HydrophobicContact CE1-CG 3.66Å; R439-Q447 WeakPolarHBondContact O-CA 3.34Å; R439-T448 PolarHBondContact N-O 3.35Å; R439-T448 PolarHBondContact O-N 3.4Å; R439-E553 IonicContact NH1-OE2 3.43Å; R439-M554 HydrophobicContact CB-CE 3.75Å; R439-M554 HydrophobicContact CB-SD 3.95Å
440K88.6Confident89.8Confident139 Ų13963.3 Ų63.360%0.60432%0.319SS*.EExtended strand (participates in β ladder)trans-88.5122.4165.7-170.4175.3-179.4-179.10108.7P442 G445 M446 Q447K440-P442 WeakPolarHBondContact O-CD 3.49Å; K440-G445 WeakPolarHBondContact CE-O 3.43Å; K440-M446 CarbonylContact C-O 3.57Å; K440-M446 WeakPolarHBondContact CA-O 3.37Å; K440-Q447 HydrophobicContact CG-CG 4.44Å
441N84Confident90Very high14 Ų1460 Ų608%0.07530%0.3CS..  trans-67.8121173.8-174.5-23.4000108.7I443 T444 G445 M446 E550N441-I443 PolarHBondContact O-N 2.98Å; N441-I443 PolarHBondContact OD1-N 3.22Å; N441-T444 WeakPolarHBondContact CB-OG1 3.34Å; N441-T444 PolarHBondContact ND2-OG1 2.89Å; N441-T444 VanDerWaalsContact ND2-OG1 3.09Å; N441-T444 PolarHBondContact OD1-N 3.13Å; N441-G445 WeakPolarHBondContact O-CA 3.4Å; N441-G445 PolarHBondContact O-N 3.48Å; N441-M446 PolarHBondContact N-O 2.94Å; N441-E550 PolarHBondContact ND2-OE1 3.33Å
442P79.4Confident90.2Very high107 Ų10757 Ų5770%0.69528%0.284SS*.THydrogen-bonded Turntrans-69.9-19.8-17828.3-34.8000113.1K440K440-P442 WeakPolarHBondContact O-CD 3.49Å
443I81.8Confident90.3Very high150 Ų15054.3 Ų54.377%0.76926%0.263SS*.THydrogen-bonded Turntrans-89.5-53-178.3-57.1175.5000110.4N441N441-I443 PolarHBondContact O-N 2.98Å; N441-I443 PolarHBondContact OD1-N 3.22Å
444T80Confident90.3Very high47 Ų4751 Ų5129%0.28825%0.251SS..THydrogen-bonded Turntrans-88.7-16.6-175.662.90000112.8N441 M446 E550N441-T444 WeakPolarHBondContact CB-OG1 3.34Å; N441-T444 PolarHBondContact ND2-OG1 2.89Å; N441-T444 VanDerWaalsContact ND2-OG1 3.09Å; N441-T444 PolarHBondContact OD1-N 3.13Å; T444-M446 PolarHBondContact O-N 2.86Å; T444-M446 WeakPolarHBondContact OG1-CB 3.47Å; T444-M446 PolarHBondContact OG1-N 3.34Å; T444-E550 PolarHBondContact OG1-OE1 3.18Å
445G81Confident90.2Very high37 Ų3751.9 Ų51.938%0.38126%0.255SS..  trans72.9-6.1-172.100000114.4K440 N441K440-G445 WeakPolarHBondContact CE-O 3.43Å; N441-G445 WeakPolarHBondContact O-CA 3.4Å; N441-G445 PolarHBondContact O-N 3.48Å
446M82.1Confident90Very high62 Ų6257.5 Ų57.531%0.30528%0.281SS..  trans-65.7145-178.5-69-18064.700111.4K440 N441 T444 G545K440-M446 CarbonylContact C-O 3.57Å; K440-M446 WeakPolarHBondContact CA-O 3.37Å; N441-M446 PolarHBondContact N-O 2.94Å; T444-M446 PolarHBondContact O-N 2.86Å; T444-M446 WeakPolarHBondContact OG1-CB 3.47Å; T444-M446 PolarHBondContact OG1-N 3.34Å; M446-G545 PolarHBondContact SD-N 3.08Å; M446-G545 VanDerWaalsContact SD-N 3.42Å
447Q87.1Confident89.6Confident91 Ų9156.8 Ų56.843%0.42529%0.285SS..EExtended strand (participates in β ladder)trans-97.5118.5171.6-69.1-169.62.800109R439 K440R439-Q447 WeakPolarHBondContact O-CA 3.34Å; K440-Q447 HydrophobicContact CG-CG 4.44Å
448T90.3Very high89.1Confident3 Ų360 Ų602%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-105.1137.3173.7-74.50000109.4R438 R439 E550 M554R438-T448 WeakPolarHBondContact CA-O 3.23Å; R439-T448 PolarHBondContact N-O 3.35Å; R439-T448 PolarHBondContact O-N 3.4Å; T448-E550 HydrophobicContact CG2-CB 4.14Å; T448-E550 VanDerWaalsContact OG1-CB 3.28Å; T448-E550 WeakPolarHBondContact OG1-CB 3.44Å; T448-E550 PolarHBondContact OG1-OE2 3.49Å; T448-M554 HydrophobicContact CG2-SD 4.27Å
449K93.8Very high88.6Confident52 Ų5258.9 Ų58.923%0.22631%0.314CS..EExtended strand (participates in β ladder)trans-120.7140.1-178.2-65.9172-170.4157.70109.7V437 R438 I469 D471V437-K449 WeakPolarHBondContact O-CA 3.31Å; R438-K449 HydrophobicContact CB-CG 4.08Å; K449-I469 HydrophobicContact CB-CB 3.86Å; K449-I469 HydrophobicContact CB-CD1 4.35Å; K449-I469 HydrophobicContact CB-CG2 4.31Å; K449-I469 PolarHBondContact O-N 3.47Å; K449-D471 WeakPolarHBondContact CD-OD1 3.42Å; K449-D471 VanDerWaalsContact CE-OD1 3.32Å; K449-D471 WeakPolarHBondContact CE-OD1 3.2Å; K449-D471 IonicContact NZ-OD1 3.91Å; K449-D471 PolarHBondContact NZ-OD1 2.87Å; K449-D471 IonicContact NZ-OD2 3.14Å
450M94.8Very high88.4Confident0 Ų065.8 Ų65.80%034%0.34CS..EExtended strand (participates in β ladder)trans-137.9159.6170.569175.4-177.500110.5Y425 V437 L452 F466 R467 F551 M554 L558Y425-M450 HydrophobicContact CE2-CE 4.41Å; V437-M450 HydrophobicContact CB-CE 4.24Å; V437-M450 HydrophobicContact CB-CG 4.01Å; V437-M450 HydrophobicContact CG1-CE 4.31Å; V437-M450 HydrophobicContact CG2-CE 4.36Å; V437-M450 HydrophobicContact CG2-CG 4.48Å; V437-M450 PolarHBondContact N-O 2.97Å; V437-M450 PolarHBondContact O-N 3.12Å; V437-M450 VanDerWaalsContact O-O 3.14Å; M450-L452 HydrophobicContact CE-CD1 4.21Å; M450-L452 HydrophobicContact CE-CD2 3.85Å; M450-L452 HydrophobicContact CE-CG 4.22Å; M450-L452 HydrophobicContact SD-CD2 4.08Å; M450-F466 HydrophobicContact SD-CD1 4.31Å; M450-R467 CarbonylContact C-O 3.55Å; M450-R467 VanDerWaalsContact CA-O 3.26Å; M450-R467 WeakPolarHBondContact CA-O 3.43Å; M450-R467 WeakPolarHBondContact CB-O 3.4Å; M450-F551 HydrophobicContact CB-CD2 4.05Å; M450-F551 HydrophobicContact CB-CE2 3.95Å; M450-M554 HydrophobicContact CB-SD 4.48Å; M450-M554 HydrophobicContact CE-CE 3.82Å; M450-M554 HydrophobicContact CE-CG 3.8Å; M450-M554 HydrophobicContact CE-SD 4.17Å; M450-M554 HydrophobicContact CG-CE 3.88Å; M450-M554 HydrophobicContact CG-SD 3.83Å; M450-M554 HydrophobicContact SD-CB 4.36Å; M450-M554 HydrophobicContact SD-CE 4.24Å; M450-M554 HydrophobicContact SD-CG 3.83Å; M450-M554 HydrophobicContact SD-SD 3.93Å; M450-L558 HydrophobicContact CE-CD2 3.66Å
451S95.4Very high88.6Confident7 Ų759.9 Ų59.95%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-112.1140.7169.179.20000110.6L435 R467L435-S451 CarbonylContact O-C 3.53Å; L435-S451 WeakPolarHBondContact O-CA 3.47Å; S451-R467 PolarHBondContact N-O 3.39Å; S451-R467 PolarHBondContact O-N 3.36Å
452L96.3Very high89.1Confident0 Ų061.2 Ų61.20%032%0.319CS..EExtended strand (participates in β ladder)trans-115.9124.8176-57.6178.6000108.5V416 M420 Y434 L435 V437 M450 L464 D465 F466 L558V416-L452 HydrophobicContact CG1-CD1 3.75Å; M420-L452 HydrophobicContact SD-CD1 3.88Å; Y434-L452 WeakPolarHBondContact CA-O 3.19Å; Y434-L452 WeakPolarHBondContact CD2-O 3.26Å; L435-L452 HydrophobicContact CB-CB 4.28Å; L435-L452 PolarHBondContact N-O 2.89Å; L435-L452 PolarHBondContact O-N 3Å; V437-L452 HydrophobicContact CG2-CD1 3.71Å; V437-L452 HydrophobicContact CG2-CG 3.88Å; M450-L452 HydrophobicContact CE-CD1 4.21Å; M450-L452 HydrophobicContact CE-CD2 3.85Å; M450-L452 HydrophobicContact CE-CG 4.22Å; M450-L452 HydrophobicContact SD-CD2 4.08Å; L452-L464 HydrophobicContact CB-CD1 4.3Å; L452-D465 WeakPolarHBondContact CA-O 3.42Å; L452-F466 HydrophobicContact CD2-CB 4.45Å; L452-F466 HydrophobicContact CD2-CD1 3.3Å; L452-F466 HydrophobicContact CD2-CE1 3.68Å; L452-F466 HydrophobicContact CD2-CG 3.95Å; L452-L558 HydrophobicContact CD1-CD2 3.64Å; L452-L558 HydrophobicContact CD2-CD2 4.3Å
453Q95.8Very high89.9Confident35 Ų3556.8 Ų56.816%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-129.9126-179.9-179.662.560.400110.1Y433 Y434 Y455 D465Y433-Q453 WeakPolarHBondContact O-CA 3.14Å; Y433-Q453 PolarHBondContact O-NE2 3.11Å; Y433-Q453 VanDerWaalsContact O-NE2 3.08Å; Y434-Q453 HydrophobicContact CD2-CB 4.05Å; Q453-Y455 HydrophobicContact CB-CD2 4.48Å; Q453-Y455 HydrophobicContact CB-CE2 3.83Å; Q453-Y455 HydrophobicContact CG-CD1 4.26Å; Q453-Y455 HydrophobicContact CG-CD2 4Å; Q453-Y455 HydrophobicContact CG-CE1 3.68Å; Q453-Y455 HydrophobicContact CG-CE2 3.41Å; Q453-Y455 VanDerWaalsContact CG-CE2 3.41Å; Q453-Y455 HydrophobicContact CG-CG 4.41Å; Q453-Y455 WeakPolarHBondContact CG-OH 3.29Å; Q453-D465 PolarHBondContact N-O 3.37Å; Q453-D465 VanDerWaalsContact N-O 3.16Å; Q453-D465 PolarHBondContact O-N 3.2Å
454L96Very high90.6Very high14 Ų1449.8 Ų49.87%0.07325%0.254CS..EExtended strand (participates in β ladder)trans-89.5127172.6-167.172.9000109.7P409 I412 M413 Y433 L463 L464P409-L454 HydrophobicContact CB-CD2 3.98Å; I412-L454 HydrophobicContact CD1-CD1 4.41Å; I412-L454 HydrophobicContact CG2-CD1 3.86Å; I412-L454 HydrophobicContact CG2-CD2 4.47Å; M413-L454 HydrophobicContact CG-CD2 4.18Å; M413-L454 HydrophobicContact SD-CB 3.88Å; M413-L454 HydrophobicContact SD-CD2 4.04Å; M413-L454 HydrophobicContact SD-CG 4.44Å; Y433-L454 HydrophobicContact CD1-CB 4.49Å; Y433-L454 HydrophobicContact CD1-CD2 3.96Å; Y433-L454 HydrophobicContact CE1-CD2 4.46Å; Y433-L454 PolarHBondContact O-N 2.98Å; L454-L463 WeakPolarHBondContact CA-O 3.42Å; L454-L464 HydrophobicContact CD1-CB 4.18Å; L454-L464 HydrophobicContact CD1-CD1 4.33Å
455Y92.9Very high91.3Very high70 Ų7048.8 Ų48.828%0.27525%0.247SC..EExtended strand (participates in β ladder)trans-116.2148.5175.8-65.5-74.2000110.6L190 Q453 Y462 L463 D465L190-Y455 HydrophobicContact CD1-CD1 4.38Å; L190-Y455 HydrophobicContact CD1-CE1 3.55Å; Q453-Y455 HydrophobicContact CB-CD2 4.48Å; Q453-Y455 HydrophobicContact CB-CE2 3.83Å; Q453-Y455 HydrophobicContact CG-CD1 4.26Å; Q453-Y455 HydrophobicContact CG-CD2 4Å; Q453-Y455 HydrophobicContact CG-CE1 3.68Å; Q453-Y455 HydrophobicContact CG-CE2 3.41Å; Q453-Y455 VanDerWaalsContact CG-CE2 3.41Å; Q453-Y455 HydrophobicContact CG-CG 4.41Å; Q453-Y455 WeakPolarHBondContact CG-OH 3.29Å; Y455-Y462 CarbonylContact O-C 3.58Å; Y455-Y462 VanDerWaalsContact O-CA 3.22Å; Y455-Y462 WeakPolarHBondContact O-CA 3.49Å; Y455-L463 PolarHBondContact N-O 3.39Å; Y455-L463 PolarHBondContact O-N 3.47Å; Y455-D465 HydrophobicContact CD2-CB 3.9Å; Y455-D465 HydrophobicContact CE2-CB 3.68Å
456Q92.1Very high92Very high122 Ų12248.2 Ų48.257%0.5723%0.234SC*.EExtended strand (participates in β ladder)trans-91.5121.2168.1-173.817314.100109D458 Y462Q456-D458 WeakPolarHBondContact CG-O 3.28Å; Q456-D458 PolarHBondContact NE2-O 3.22Å; Q456-Y462 HydrophobicContact CB-CD1 3.96Å; Q456-Y462 HydrophobicContact CB-CE1 3.83Å; Q456-Y462 HydrophobicContact CG-CD1 4.17Å; Q456-Y462 HydrophobicContact CG-CE1 3.76Å
457V87.1Confident92.4Very high68 Ų6848.3 Ų48.341%0.41223%0.231SC..  trans-91.1-43.9-179.8-178.70000110.5T461 L463V457-T461 PolarHBondContact N-O 3.49Å; V457-L463 HydrophobicContact CG2-CB 3.44Å; V457-L463 VanDerWaalsContact CG2-CB 3.44Å; V457-L463 HydrophobicContact CG2-CD2 4.39Å
458D85.6Confident92.6Very high71 Ų7145.6 Ų45.638%0.3822%0.222SC..SBendtrans-143.8-176.5176.466.749.9000110Q456 R460 T461Q456-D458 WeakPolarHBondContact CG-O 3.28Å; Q456-D458 PolarHBondContact NE2-O 3.22Å; D458-R460 PolarHBondContact O-N 3.46Å; D458-R460 WeakPolarHBondContact OD1-CA 3.22Å; D458-R460 PolarHBondContact OD1-N 2.87Å; D458-T461 VanDerWaalsContact CG-CB 3.46Å; D458-T461 VanDerWaalsContact CG-OG1 3.26Å; D458-T461 PolarHBondContact N-O 2.87Å; D458-T461 VanDerWaalsContact OD1-CB 3.32Å; D458-T461 WeakPolarHBondContact OD1-CB 3.48Å; D458-T461 PolarHBondContact OD1-N 2.85Å; D458-T461 PolarHBondContact OD1-OG1 3.16Å; D458-T461 VanDerWaalsContact OD1-OG1 3.05Å; D458-T461 WeakPolarHBondContact OD2-CB 3.46Å; D458-T461 PolarHBondContact OD2-OG1 3.27Å
459S83.6Confident92.5Very high99 Ų9946.6 Ų46.669%0.69223%0.227SC*.SBendtrans-57.5-19.6-177.664.20000115.2
460R88.5Confident91.8Very high193 Ų19348 Ų4873%0.72824%0.237SC*.SBendtrans-131.5-8.4-174.7-63.4-174.6-178.1-167.90.3114.4Q406 D458Q406-R460 WeakPolarHBondContact CA-O 3.14Å; D458-R460 PolarHBondContact O-N 3.46Å; D458-R460 WeakPolarHBondContact OD1-CA 3.22Å; D458-R460 PolarHBondContact OD1-N 2.87Å
461T92.8Very high90.3Very high15 Ų1551.6 Ų51.69%0.09226%0.256CS..  trans-116.4130.3-174.9-49.40000110.8R404 V457 D458R404-T461 HydrophobicContact CB-CG2 4.14Å; V457-T461 PolarHBondContact N-O 3.49Å; D458-T461 VanDerWaalsContact CG-CB 3.46Å; D458-T461 VanDerWaalsContact CG-OG1 3.26Å; D458-T461 PolarHBondContact N-O 2.87Å; D458-T461 VanDerWaalsContact OD1-CB 3.32Å; D458-T461 WeakPolarHBondContact OD1-CB 3.48Å; D458-T461 PolarHBondContact OD1-N 2.85Å; D458-T461 PolarHBondContact OD1-OG1 3.16Å; D458-T461 VanDerWaalsContact OD1-OG1 3.05Å; D458-T461 WeakPolarHBondContact OD2-CB 3.46Å; D458-T461 PolarHBondContact OD2-OG1 3.27Å
462Y95Very high88.2Confident42 Ų4258.9 Ų58.917%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-112.5149.4173.8-59.3-85.5000110.4R404 S405 S407 P409 I412 Y455 Q456R404-Y462 CarbonylContact C-O 3.49Å; R404-Y462 VanDerWaalsContact CA-O 3.24Å; R404-Y462 WeakPolarHBondContact CA-O 3.46Å; S405-Y462 PolarHBondContact N-O 2.88Å; S405-Y462 PolarHBondContact O-N 3.39Å; S407-Y462 WeakPolarHBondContact O-CD2 3.35Å; P409-Y462 HydrophobicContact CG-CD1 4.04Å; P409-Y462 HydrophobicContact CG-CD2 4.3Å; P409-Y462 HydrophobicContact CG-CE1 3.44Å; P409-Y462 VanDerWaalsContact CG-CE1 3.44Å; P409-Y462 HydrophobicContact CG-CE2 3.76Å; P409-Y462 HydrophobicContact CG-CG 4.44Å; P409-Y462 WeakPolarHBondContact CG-OH 3.36Å; I412-Y462 HydrophobicContact CD1-CD2 4.06Å; I412-Y462 HydrophobicContact CD1-CG 4.17Å; Y455-Y462 CarbonylContact O-C 3.58Å; Y455-Y462 VanDerWaalsContact O-CA 3.22Å; Y455-Y462 WeakPolarHBondContact O-CA 3.49Å; Q456-Y462 HydrophobicContact CB-CD1 3.96Å; Q456-Y462 HydrophobicContact CB-CE1 3.83Å; Q456-Y462 HydrophobicContact CG-CD1 4.17Å; Q456-Y462 HydrophobicContact CG-CE1 3.76Å
463L96Very high85.7Confident14 Ų1465.3 Ų65.37%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-119.3121.9178.1167.765.5000108.7L401 I403 R404 L454 Y455 V457L401-L463 HydrophobicContact CD2-CD2 4Å; L401-L463 HydrophobicContact CG-CD2 4.25Å; L401-L463 WeakPolarHBondContact O-CD1 3.48Å; I403-L463 WeakPolarHBondContact O-CA 3.44Å; I403-L463 WeakPolarHBondContact O-CD1 3.42Å; R404-L463 HydrophobicContact CG-CD1 4.03Å; L454-L463 WeakPolarHBondContact CA-O 3.42Å; Y455-L463 PolarHBondContact N-O 3.39Å; Y455-L463 PolarHBondContact O-N 3.47Å; V457-L463 HydrophobicContact CG2-CB 3.44Å; V457-L463 VanDerWaalsContact CG2-CB 3.44Å; V457-L463 HydrophobicContact CG2-CD2 4.39Å
464L96.1Very high83.1Confident4 Ų467.2 Ų67.22%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-90.8113.8167.5-175.468.7000108.7G402 I403 V416 L452 L454 F466 L562G402-L464 WeakPolarHBondContact CA-O 3.35Å; I403-L464 HydrophobicContact CD1-CD2 4.09Å; I403-L464 HydrophobicContact CG1-CB 3.87Å; I403-L464 HydrophobicContact CG1-CD2 4.26Å; I403-L464 PolarHBondContact N-O 2.86Å; I403-L464 VanDerWaalsContact N-O 3.07Å; I403-L464 PolarHBondContact O-N 2.74Å; V416-L464 HydrophobicContact CG2-CD1 4.5Å; V416-L464 HydrophobicContact CG2-CD2 3.59Å; L452-L464 HydrophobicContact CB-CD1 4.3Å; L454-L464 HydrophobicContact CD1-CB 4.18Å; L454-L464 HydrophobicContact CD1-CD1 4.33Å; L464-F466 HydrophobicContact CD2-CE2 4.26Å; L464-F466 HydrophobicContact CD2-CZ 3.89Å; L464-F466 HydrophobicContact CG-CE2 4.21Å; L464-F466 HydrophobicContact CG-CZ 4.3Å; L464-F466 WeakPolarHBondContact O-CE2 3.42Å; L464-L562 HydrophobicContact CD2-CD1 4.04Å
465D95.9Very high80Confident25 Ų2575.8 Ų75.813%0.13438%0.377CS..EExtended strand (participates in β ladder)trans-94.3147.5177.7-176.743.9000111.4L452 Q453 Y455L452-D465 WeakPolarHBondContact CA-O 3.42Å; Q453-D465 PolarHBondContact N-O 3.37Å; Q453-D465 VanDerWaalsContact N-O 3.16Å; Q453-D465 PolarHBondContact O-N 3.2Å; Y455-D465 HydrophobicContact CD2-CB 3.9Å; Y455-D465 HydrophobicContact CE2-CB 3.68Å
466F94.5Very high77.2Confident26 Ų2677.3 Ų77.311%0.11439%0.394CS..EExtended strand (participates in β ladder)trans-125.7122.6-178.2-59-108.3000108.6I403 M450 L452 L464 F551 C555 L558 I559I403-F466 HydrophobicContact CD1-CE2 4.42Å; I403-F466 HydrophobicContact CD1-CZ 4.2Å; I403-F466 HydrophobicContact CG1-CE2 4.05Å; I403-F466 HydrophobicContact CG1-CZ 4.33Å; I403-F466 HydrophobicContact CG2-CE2 4.37Å; M450-F466 HydrophobicContact SD-CD1 4.31Å; L452-F466 HydrophobicContact CD2-CB 4.45Å; L452-F466 HydrophobicContact CD2-CD1 3.3Å; L452-F466 HydrophobicContact CD2-CE1 3.68Å; L452-F466 HydrophobicContact CD2-CG 3.95Å; L464-F466 HydrophobicContact CD2-CE2 4.26Å; L464-F466 HydrophobicContact CD2-CZ 3.89Å; L464-F466 HydrophobicContact CG-CE2 4.21Å; L464-F466 HydrophobicContact CG-CZ 4.3Å; L464-F466 WeakPolarHBondContact O-CE2 3.42Å; F466-F551 HydrophobicContact CB-CZ 4.3Å; F466-C555 HydrophobicContact CD1-CB 4.3Å; F466-L558 HydrophobicContact CE1-CD2 4.01Å; F466-L558 HydrophobicContact CE1-CG 4.44Å; F466-I559 HydrophobicContact CE1-CG1 4.14Å; F466-I559 HydrophobicContact CE2-CD1 4.26Å; F466-I559 HydrophobicContact CE2-CG1 4.18Å; F466-I559 HydrophobicContact CZ-CD1 4.12Å; F466-I559 HydrophobicContact CZ-CG1 3.64Å
467R90.6Very high74.4Confident64 Ų6481.2 Ų81.224%0.24241%0.409CS..EExtended strand (participates in β ladder)trans-131.4131.4-179.3-177.5167170.4-123.3-11.9111.9D167 G168 E169 M450 S451D167-R467 PolarHBondContact O-NH2 3.48Å; G168-R467 WeakPolarHBondContact O-CD 3.49Å; G168-R467 PolarHBondContact O-NE 2.77Å; G168-R467 VanDerWaalsContact O-NE 3.15Å; G168-R467 PolarHBondContact O-NH1 3.1Å; E169-R467 IonicContact OE1-NH1 3.72Å; M450-R467 CarbonylContact C-O 3.55Å; M450-R467 VanDerWaalsContact CA-O 3.26Å; M450-R467 WeakPolarHBondContact CA-O 3.43Å; M450-R467 WeakPolarHBondContact CB-O 3.4Å; S451-R467 PolarHBondContact N-O 3.39Å; S451-R467 PolarHBondContact O-N 3.36Å
468S91.2Very high71.7Confident34 Ų3482.9 Ų82.924%0.23842%0.423CS..EExtended strand (participates in β ladder)trans-66.4148175.8-157.90000110.9H547 F551S468-H547 PolarHBondContact OG-CE1 2.96Å; S468-F551 VanDerWaalsContact N-CE2 3.33Å
469I88.6Confident69.2Low23 Ų2383.2 Ų83.212%0.11844%0.444CS..EExtended strand (participates in β ladder)trans-122.5119.4173.3-57.3177.2000107.7R436 K449 L474 H547R436-I469 HydrophobicContact CG-CD1 4.42Å; K449-I469 HydrophobicContact CB-CB 3.86Å; K449-I469 HydrophobicContact CB-CD1 4.35Å; K449-I469 HydrophobicContact CB-CG2 4.31Å; K449-I469 PolarHBondContact O-N 3.47Å; I469-L474 HydrophobicContact CG2-CD1 3.52Å; I469-H547 PolarHBondContact O-NE2 3.06Å
470D79.3Confident66.7Low83 Ų8384.5 Ų84.544%0.44445%0.448SS..  trans-83.1140.5175.7-57.5-33000110.6M473 H547D470-M473 HydrophobicContact CB-CG 4.38Å; D470-H547 IonicContact OD1-CE1 2.91Å; D470-H547 PolarHBondContact OD1-CE1 2.87Å; D470-H547 IonicContact OD1-ND1 3.78Å; D470-H547 IonicContact OD1-NE2 2.67Å; D470-H547 PolarHBondContact OD1-NE2 3.33Å
471D62.3Low63.9Low74 Ų7479 Ų7940%0.39644%0.443SS..SBendtrans-72.9-28.2-178.5-87.5-20.6000112.7K449 M473K449-D471 WeakPolarHBondContact CD-OD1 3.42Å; K449-D471 VanDerWaalsContact CE-OD1 3.32Å; K449-D471 WeakPolarHBondContact CE-OD1 3.2Å; K449-D471 IonicContact NZ-OD1 3.91Å; K449-D471 PolarHBondContact NZ-OD1 2.87Å; K449-D471 IonicContact NZ-OD2 3.14Å; D471-M473 VanDerWaalsContact C-N 3.3Å; D471-M473 PolarHBondContact O-N 3.41Å
472D51.5Low60.9Low161 Ų16184.1 Ų84.186%0.86148%0.475SS*.THydrogen-bonded Turntrans-73.4-18-179.6-66.6-30.1000113.8L474D472-L474 VanDerWaalsContact C-N 3.33Å; D472-L474 PolarHBondContact O-N 2.9Å
473M44.5Very low57.7Low135 Ų13587.9 Ų87.967%0.66550%0.504SS*.THydrogen-bonded Turntrans-82.5-5-179.3-77.7-91.9102.500113.8D470 D471D470-M473 HydrophobicContact CB-CG 4.38Å; D471-M473 VanDerWaalsContact C-N 3.3Å; D471-M473 PolarHBondContact O-N 3.41Å
474L40.7Very low54.4Low74 Ų7495.4 Ų95.439%0.38754%0.544SS..  trans-105.60.3-163-95149.6000117.2I469 D472 T476I469-L474 HydrophobicContact CG2-CD1 3.52Å; D472-L474 VanDerWaalsContact C-N 3.33Å; D472-L474 PolarHBondContact O-N 2.9Å; L474-T476 VanDerWaalsContact C-N 3.3Å
475E31.7Very low51Low194 Ų194107 Ų10791%0.90759%0.587SS**SBendtrans-77-16.2170.2-72.5-153.2147.500113.5K477E475-K477 PolarHBondContact O-N 3.09Å
476T32.7Very low47.8Very low102 Ų102111.8 Ų111.863%0.62662%0.622SS**SBendtrans-83.495.4167.120.80000110.8L474 S478L474-T476 VanDerWaalsContact C-N 3.3Å; T476-S478 PolarHBondContact O-N 3.32Å
477K33.7Very low44.4Very low205 Ų205113.7 Ų113.789%0.89165%0.649SS**  trans-49.395.2174.3-68177.4178.3176.50112.5E475 G479E475-K477 PolarHBondContact O-N 3.09Å; K477-G479 PolarHBondContact O-N 3.27Å; K477-G479 VanDerWaalsContact O-N 3.09Å
478S31.4Very low41.2Very low103 Ų103116.1 Ų116.172%0.7268%0.676SS**  trans-73.794.1166.1-73.60000110.1T476 T480T476-S478 PolarHBondContact O-N 3.32Å; S478-T480 PolarHBondContact O-N 3.2Å
479G32.5Very low38.1Very low78 Ų78121.3 Ų121.380%0.80471%0.706SS**  trans-77.691.5167.600000110.8K477K477-G479 PolarHBondContact O-N 3.27Å; K477-G479 VanDerWaalsContact O-N 3.09Å
480T31.5Very low35.1Very low126 Ų126123.4 Ų123.477%0.77373%0.734SS**  trans-101.878.9160.7550000108.5S478S478-T480 PolarHBondContact O-N 3.2Å
481A29.2Very low32.5Very low76 Ų76127 Ų12763%0.62875%0.752SS**  trans-85.8110.8164.800000108.4
482T30Very low30.7Very low124 Ų124132.8 Ų132.876%0.76178%0.777SS**PPolyproline II helixtrans-75.1133.7167.5-43.10000108.1L484T482-L484 PolarHBondContact O-N 2.99Å
483P28Very low29.3Very low121 Ų121136 Ų13679%0.78678%0.777SS**PPolyproline II helixtrans-72.3121.8179.812.5-5.4000110.5R485P483-R485 PolarHBondContact O-N 2.89Å
484L26.5Very low28.4Very low172 Ų172134.4 Ų134.490%0.90179%0.785SS**PPolyproline II helixtrans-70.6123.3165.3-82.1155.4000108.8T482 S486T482-L484 PolarHBondContact O-N 2.99Å; L484-S486 PolarHBondContact O-N 2.85Å
485R25.1Very low27.6Very low248 Ų248136.7 Ų136.794%0.93680%0.802SS**  trans-57.5114.6163.9-96.2-179.5168.8179.4-3108.5P483 G487P483-R485 PolarHBondContact O-N 2.89Å; R485-G487 PolarHBondContact O-N 3.48Å
486S27.3Very low27.4Very low124 Ų124134.3 Ų134.387%0.86780%0.8SS**  trans-74.7108.2168.7-167.90000108.8L484L484-S486 PolarHBondContact O-N 2.85Å
487G24.7Very low27Very low66 Ų66138.4 Ų138.468%0.6881%0.81SS**  trans-79.1135.116000000109.2R485R485-G487 PolarHBondContact O-N 3.48Å
488S23Very low26.7Very low115 Ų115134.2 Ų134.280%0.80481%0.806SS**  trans-59.6149.5175.7-168.20000112.4
489V26.2Very low26.4Very low143 Ų143137 Ų13787%0.86781%0.813SS**  trans135.5125142.2176.80000112
490G25.1Very low26.2Very low68 Ų68137.6 Ų137.670%0.70181%0.81SS**  trans127.484.6147.300000116.1H492G490-H492 PolarHBondContact O-N 3.2Å
491N24.4Very low26Very low157 Ų157141.2 Ų141.284%0.8482%0.818SS**  trans-42.7135.7154.4-80.8-25000110.2
492H25.6Very low25.8Very low196 Ų196141.1 Ų141.191%0.90783%0.825SS**  -163135.6129.8-95.923.3000110.3G490G490-H492 PolarHBondContact O-N 3.2Å
493R21.9Very low25.8Very low230 Ų230140.3 Ų140.387%0.86883%0.831SS**  trans-88.6132.9-170.8174.2-176.4-178.4176.81.4109.5
494A25.9Very low25.6Very low100 Ų100142 Ų14283%0.82683%0.834SS**  trans-151.3103.7158.400000110.9
495T22.5Very low25.8Very low122 Ų122140.7 Ų140.775%0.74883%0.832SS**  trans-71.2129.7166190000110.9
496V27.8Very low25.7Very low144 Ų144134 Ų13487%0.87382%0.823SS**  trans-142.4135.8150.4-174.70000110
497K25.8Very low25.8Very low189 Ų189131.7 Ų131.782%0.82281%0.812SS**  trans-67151.9-173.7-67.3168.1167.7-177.90113.8
498S25.7Very low25.7Very low116 Ų116134.9 Ų134.981%0.81182%0.818SS**  trans-118.8118.7160.456.40000108.9
499D25.8Very low25.8Very low161 Ų161134.2 Ų134.286%0.86181%0.813SS**  trans-94.3146.7165.4-74.5-37.3000109.7
500A28.4Very low25.8Very low92 Ų92133.2 Ų133.276%0.7681%0.813SS**  trans-102.3152.7-177.100000111.1
501E28Very low25.7Very low201 Ų201136.3 Ų136.394%0.93982%0.818SS**  trans-179.5133.2154.7-100.5167.8-162.500105.1
502G25.2Very low25.8Very low75 Ų75135.5 Ų135.577%0.77382%0.819SS**  cis107.897.319.800000109.9
503A28.4Very low25.5Very low106 Ų106134.4 Ų134.488%0.87681%0.814SS**  trans174.2127146.500000113.8
504D24.9Very low26.5Very low158 Ų158128 Ų12885%0.84580%0.802SS**  trans-64.3154.8162-69.8-51.5000113.2
505V30Very low26.3Very low143 Ų143128.8 Ų128.887%0.86780%0.797SS**  trans-154.1133.6132.2-170.70000111
506S24.4Very low26.5Very low107 Ų107131.5 Ų131.575%0.74880%0.799SS**  trans-72.9159.7173.353.30000115.9
507A27.3Very low26.2Very low76 Ų76130.7 Ų130.763%0.62879%0.794SS**  150.2133.4110.900000114.5
508T24.5Very low26.2Very low133 Ų133125.6 Ų125.682%0.81679%0.787SS**  trans59.3151.6138.954.70000120.3
509S24.2Very low26.1Very low101 Ų101129.6 Ų129.671%0.70679%0.793SS**  cis168.8133.9-22.354.30000103.8
510S25.6Very low26Very low122 Ų122125.3 Ų125.385%0.85379%0.787SS**  trans-176.4123.7146.651.50000113.3
511T23.3Very low25.7Very low133 Ų133126.7 Ų126.782%0.81679%0.791SS**  trans-53.3155168.8-230000114.2
512V26Very low25.6Very low140 Ų140125.4 Ų125.485%0.84879%0.79SS**  170.3128120.51680000110.2
513Q20.3Very low25.6Very low174 Ų174125 Ų12581%0.81379%0.786SS**  trans-107.1-173.4168.4-111.5-166.26.800107.4
514P41.8Very low25.4Very low94 Ų94125.2 Ų125.261%0.6178%0.78SS**  cis-138.8-152.8-36.636.9-16.7000111
515T23.4Very low25.4Very low118 Ų118123 Ų12372%0.72478%0.778SS**  trans103.6142.4159.673.40000116.4
516K25.5Very low25.2Very low179 Ų179124.4 Ų124.478%0.77878%0.779SS**  cis-170141.2-6.5-115.7176.6-179.1-1770108.8
517T22.9Very low25.3Very low126 Ų126125.5 Ų125.577%0.77378%0.781SS**  trans28.6131.8136.957.20000122.5
518A25.2Very low25.3Very low83 Ų83127.2 Ų127.269%0.68679%0.789SS**  158.6121.7109.500000110.3
519E22.6Very low25.3Very low199 Ų199126.2 Ų126.293%0.9379%0.788SS**  61129.5111.8-62.1-176.7170.900114.2
520G24.2Very low25.8Very low72 Ų72127.7 Ų127.774%0.74279%0.792SS**  cis168.3153.66.600000107.6
521S22.4Very low25.8Very low120 Ų120129.4 Ų129.484%0.83979%0.792SS**  trans51.4127.5154.2-1480000121
522L25.2Very low26.2Very low175 Ų175128.6 Ų128.692%0.91679%0.791SS**  trans174.6125.5131.3-86.8161.5000104.8
523G24.6Very low26.4Very low66 Ų66127.4 Ų127.468%0.6879%0.789SS**  100.198.15700000108
524S24.6Very low26.8Very low110 Ų110123.2 Ų123.277%0.76979%0.792SS**  trans-15.3140170.958.50000118.4
525S24.7Very low26.2Very low112 Ų112122.4 Ų122.478%0.78380%0.801SS**  178.8131.2106.3-77.20000112.3
526L26.9Very low26.5Very low173 Ų173121.7 Ų121.791%0.90681%0.808SS**  trans-70.6123.6162.6-71.4152.3000108.9
527T26.4Very low27Very low129 Ų129121.1 Ų121.179%0.79181%0.813SS**  trans-150.4121.5142.852.10000110.2
528S27.5Very low27.3Very low113 Ų113120.2 Ų120.279%0.7981%0.812SS**  trans-49.1132.7162.550.40000112.4
529S25.1Very low27.8Very low112 Ų112121.9 Ų121.978%0.78381%0.813SS**  trans-150.2118.3152.9-71.30000108.9
530V33.6Very low28.4Very low132 Ų132118 Ų11880%0.881%0.805SS**  trans-78.9117.7175.3-170.30000105.9
531D24.7Very low28.8Very low158 Ų158120.3 Ų120.385%0.84581%0.805SS**  trans-127.1118.7165.4-98.2-27.4000110.1
532S33.3Very low29.7Very low116 Ų116119.6 Ų119.681%0.81180%0.798SS**  trans-93.8112.2171.1-62.70000108.4
533S29.7Very low30.6Very low114 Ų114122.2 Ų122.280%0.79780%0.796SS**  trans-151.3117.316059.50000108.8
534G28.6Very low32.2Very low86 Ų86124.6 Ų124.689%0.88780%0.799SS**  trans-79175.9-170.100000115.5
535G28.2Very low34Very low77 Ų77120.4 Ų120.479%0.79477%0.773SS**  trans137107.2160.800000114.6
536A30.4Very low36.6Very low104 Ų104117.8 Ų117.886%0.8676%0.755SS**SBendtrans88116.515300000119.7
537D36.8Very low39.3Very low167 Ų167112 Ų11289%0.89372%0.723SS**  trans61.473.8147.8-112.18.4000118.5
538S29.6Very low42Very low107 Ų107109.6 Ų109.675%0.74871%0.708SS**  trans-117.4100.8146.665.70000108.3
539T34.8Very low44.8Very low117 Ų117108.8 Ų108.872%0.71869%0.694SS**  trans-45.1123.8152.342.10000107.1T541T539-T541 PolarHBondContact O-N 2.78Å
540P34.6Very low47.8Very low117 Ų117103.8 Ų103.876%0.7666%0.659SS**  trans-62111.517724.3-29.6000106.3P542P540-P542 VanDerWaalsContact O-N 3.13Å
541T34Very low50.5Low121 Ų12198.7 Ų98.774%0.74263%0.626SS**PPolyproline II helixtrans-47.3122.7161.843.10000106.2T539 R543T539-T541 PolarHBondContact O-N 2.78Å; T541-R543 PolarHBondContact O-N 3.38Å; T541-R543 VanDerWaalsContact O-N 3.08Å
542P40.5Very low53.6Low106 Ų10697.2 Ų97.269%0.68861%0.612SS**PPolyproline II helixtrans-54.7125.6-178-18.628000107.3P540P540-P542 VanDerWaalsContact O-N 3.13Å
543R44.8Very low56.4Low230 Ų23095.8 Ų95.887%0.86859%0.593SS**PPolyproline II helixtrans-51.4129.1168.1-72-179-178.1176-0.1106.4T541 G545T541-R543 PolarHBondContact O-N 3.38Å; T541-R543 VanDerWaalsContact O-N 3.08Å; R543-G545 PolarHBondContact O-N 3.24Å; R543-G545 VanDerWaalsContact O-N 3.13Å
544P58.1Low59.3Low115 Ų11590.4 Ų90.475%0.74756%0.555SS**PPolyproline II helixtrans-52.6127.8172.419.6-28.3000107.4
545G62.6Low62.4Low22 Ų2286.8 Ų86.823%0.22752%0.516CS..PPolyproline II helixtrans-55.6142.6-178.100000110M446 R543 H547M446-G545 PolarHBondContact SD-N 3.08Å; M446-G545 VanDerWaalsContact SD-N 3.42Å; R543-G545 PolarHBondContact O-N 3.24Å; R543-G545 VanDerWaalsContact O-N 3.13Å; G545-H547 PolarHBondContact O-N 2.93Å
546S79.4Confident65.5Low57 Ų5785 Ų8540%0.39949%0.494SS..PPolyproline II helixtrans-69.5118.9172.9170.90000108.7T548 I549 E550S546-T548 PolarHBondContact O-N 2.96Å; S546-I549 WeakPolarHBondContact O-CA 3.46Å; S546-I549 WeakPolarHBondContact O-CB 3.49Å; S546-I549 PolarHBondContact O-N 3.26Å; S546-E550 PolarHBondContact O-N 3.37Å
547H81.7Confident68.4Low51 Ų5182.5 Ų82.524%0.23647%0.466CS..Hα-helixtrans-51.4-44.3176.9175.3-83.9000112.1S468 I469 D470 G545 I549 E550 F551S468-H547 PolarHBondContact OG-CE1 2.96Å; I469-H547 PolarHBondContact O-NE2 3.06Å; D470-H547 IonicContact OD1-CE1 2.91Å; D470-H547 PolarHBondContact OD1-CE1 2.87Å; D470-H547 IonicContact OD1-ND1 3.78Å; D470-H547 IonicContact OD1-NE2 2.67Å; D470-H547 PolarHBondContact OD1-NE2 3.33Å; G545-H547 PolarHBondContact O-N 2.93Å; H547-I549 VanDerWaalsContact C-N 3.33Å; H547-I549 PolarHBondContact O-N 3.39Å; H547-E550 PolarHBondContact O-N 3.14Å; H547-F551 PolarHBondContact O-N 2.78Å
548T84.9Confident71.2Confident79 Ų7974.5 Ų74.549%0.48542%0.423SS..Hα-helixtrans-58.3-42.2175.2-52.90000112.7S546 F552S546-T548 PolarHBondContact O-N 2.96Å; T548-F552 HydrophobicContact CG2-CD2 3.85Å; T548-F552 HydrophobicContact CG2-CE2 3.43Å; T548-F552 VanDerWaalsContact CG2-CE2 3.43Å; T548-F552 HydrophobicContact CG2-CZ 4.32Å; T548-F552 WeakPolarHBondContact O-CD2 3.45Å; T548-F552 PolarHBondContact O-N 3.04Å
549I86.2Confident74.2Confident96 Ų9672.2 Ų72.249%0.49240%0.402SS..Hα-helixtrans-68.2-44.3177.6-63.4179000110.2S546 H547 F551 F552 E553S546-I549 WeakPolarHBondContact O-CA 3.46Å; S546-I549 WeakPolarHBondContact O-CB 3.49Å; S546-I549 PolarHBondContact O-N 3.26Å; H547-I549 VanDerWaalsContact C-N 3.33Å; H547-I549 PolarHBondContact O-N 3.39Å; I549-F551 VanDerWaalsContact C-N 3.28Å; I549-F551 PolarHBondContact O-N 2.85Å; I549-F552 PolarHBondContact O-N 3.42Å; I549-F552 VanDerWaalsContact O-N 3.14Å; I549-E553 HydrophobicContact CG2-CG 4.41Å; I549-E553 WeakPolarHBondContact O-CG 3.25Å; I549-E553 PolarHBondContact O-N 3.03Å
550E87.4Confident76.9Confident8 Ų873 Ų734%0.03740%0.395CS..Hα-helixtrans-60.7-39.1177.8-65-159.2171.200111.9N441 T444 T448 S546 H547 E553 M554N441-E550 PolarHBondContact ND2-OE1 3.33Å; T444-E550 PolarHBondContact OG1-OE1 3.18Å; T448-E550 HydrophobicContact CG2-CB 4.14Å; T448-E550 VanDerWaalsContact OG1-CB 3.28Å; T448-E550 WeakPolarHBondContact OG1-CB 3.44Å; T448-E550 PolarHBondContact OG1-OE2 3.49Å; S546-E550 PolarHBondContact O-N 3.37Å; H547-E550 PolarHBondContact O-N 3.14Å; E550-E553 PolarHBondContact O-N 2.92Å; E550-M554 WeakPolarHBondContact O-CB 3.4Å; E550-M554 PolarHBondContact O-N 3.47Å
551F90.1Very high79.6Confident24 Ų2468.7 Ų68.711%0.10537%0.366CS..Hα-helixtrans-61-48.5172.3169.1-109.3000111.8M450 F466 S468 H547 I549 E553 M554 C555M450-F551 HydrophobicContact CB-CD2 4.05Å; M450-F551 HydrophobicContact CB-CE2 3.95Å; F466-F551 HydrophobicContact CB-CZ 4.3Å; S468-F551 VanDerWaalsContact N-CE2 3.33Å; H547-F551 PolarHBondContact O-N 2.78Å; I549-F551 VanDerWaalsContact C-N 3.28Å; I549-F551 PolarHBondContact O-N 2.85Å; F551-E553 VanDerWaalsContact C-N 3.34Å; F551-E553 PolarHBondContact O-N 3.41Å; F551-M554 WeakPolarHBondContact O-CB 3.49Å; F551-M554 PolarHBondContact O-N 3.41Å; F551-C555 WeakPolarHBondContact CE2-SG 3.5Å; F551-C555 WeakPolarHBondContact CZ-SG 3.4Å; F551-C555 PolarHBondContact O-N 3.08Å; F551-C555 PolarHBondContact O-SG 3.24Å; F551-C555 VanDerWaalsContact O-SG 3.4Å
552F90.5Very high82.2Confident128 Ų12864.6 Ų64.656%0.56134%0.339SS*.Hα-helixtrans-63.6-37.7178.5-75.4-50.6000112.8T548 I549 C555 A556T548-F552 HydrophobicContact CG2-CD2 3.85Å; T548-F552 HydrophobicContact CG2-CE2 3.43Å; T548-F552 VanDerWaalsContact CG2-CE2 3.43Å; T548-F552 HydrophobicContact CG2-CZ 4.32Å; T548-F552 WeakPolarHBondContact O-CD2 3.45Å; T548-F552 PolarHBondContact O-N 3.04Å; I549-F552 PolarHBondContact O-N 3.42Å; I549-F552 VanDerWaalsContact O-N 3.14Å; F552-C555 PolarHBondContact O-N 3.19Å; F552-A556 VanDerWaalsContact O-CB 3.27Å; F552-A556 WeakPolarHBondContact O-CB 3.25Å; F552-A556 PolarHBondContact O-N 2.85Å
553E90.7Very high84.2Confident86 Ų8663.6 Ų63.640%0.40234%0.34SS..Hα-helixtrans-63.2-43.1173.8-74.4-173.7175.500112R439 I549 E550 F551 A556 N557R439-E553 IonicContact NH1-OE2 3.43Å; I549-E553 HydrophobicContact CG2-CG 4.41Å; I549-E553 WeakPolarHBondContact O-CG 3.25Å; I549-E553 PolarHBondContact O-N 3.03Å; E550-E553 PolarHBondContact O-N 2.92Å; F551-E553 VanDerWaalsContact C-N 3.34Å; F551-E553 PolarHBondContact O-N 3.41Å; E553-A556 PolarHBondContact O-N 3.1Å; E553-N557 WeakPolarHBondContact O-CB 3.34Å; E553-N557 VanDerWaalsContact O-CG 3.24Å; E553-N557 PolarHBondContact O-N 2.99Å; E553-N557 PolarHBondContact O-ND2 2.95Å
554M92.4Very high84.9Confident0 Ų064.7 Ų64.70%034%0.344CS..Hα-helixtrans-61.2-45.9177.7-164.8173.118000111.1Y425 V437 R439 T448 M450 E550 F551 L558Y425-M554 HydrophobicContact CD2-CE 3.7Å; Y425-M554 HydrophobicContact CD2-CG 4.28Å; Y425-M554 HydrophobicContact CE2-CE 3.89Å; Y425-M554 HydrophobicContact CE2-CG 3.48Å; Y425-M554 VanDerWaalsContact CE2-CG 3.48Å; Y425-M554 HydrophobicContact CG-CE 4.12Å; V437-M554 HydrophobicContact CB-CE 3.82Å; V437-M554 HydrophobicContact CG1-CE 3.36Å; R439-M554 HydrophobicContact CB-CE 3.75Å; R439-M554 HydrophobicContact CB-SD 3.95Å; T448-M554 HydrophobicContact CG2-SD 4.27Å; M450-M554 HydrophobicContact CB-SD 4.48Å; M450-M554 HydrophobicContact CE-CE 3.82Å; M450-M554 HydrophobicContact CE-CG 3.8Å; M450-M554 HydrophobicContact CE-SD 4.17Å; M450-M554 HydrophobicContact CG-CE 3.88Å; M450-M554 HydrophobicContact CG-SD 3.83Å; M450-M554 HydrophobicContact SD-CB 4.36Å; M450-M554 HydrophobicContact SD-CE 4.24Å; M450-M554 HydrophobicContact SD-CG 3.83Å; M450-M554 HydrophobicContact SD-SD 3.93Å; E550-M554 WeakPolarHBondContact O-CB 3.4Å; E550-M554 PolarHBondContact O-N 3.47Å; F551-M554 WeakPolarHBondContact O-CB 3.49Å; F551-M554 PolarHBondContact O-N 3.41Å; M554-L558 PolarHBondContact O-N 3.5Å
555C93.1Very high86.3Confident11 Ų1162.2 Ų62.27%0.07432%0.324CS..Hα-helixtrans-60.5-51.3174-71.10000111.9F466 F551 F552 N557 L558 I559F466-C555 HydrophobicContact CD1-CB 4.3Å; F551-C555 WeakPolarHBondContact CE2-SG 3.5Å; F551-C555 WeakPolarHBondContact CZ-SG 3.4Å; F551-C555 PolarHBondContact O-N 3.08Å; F551-C555 PolarHBondContact O-SG 3.24Å; F551-C555 VanDerWaalsContact O-SG 3.4Å; F552-C555 PolarHBondContact O-N 3.19Å; C555-N557 VanDerWaalsContact C-N 3.33Å; C555-N557 PolarHBondContact O-N 3.02Å; C555-L558 PolarHBondContact O-N 2.83Å; C555-I559 HydrophobicContact CB-CD1 4.43Å; C555-I559 WeakPolarHBondContact O-CB 3.34Å; C555-I559 WeakPolarHBondContact O-CD1 3.35Å; C555-I559 WeakPolarHBondContact O-CG1 3.48Å; C555-I559 PolarHBondContact O-N 3.31Å
556A92.2Very high87.5Confident40 Ų4064.3 Ų64.333%0.33133%0.329SS..Hα-helixtrans-61.5-40-176.200000112.4F552 E553 K560F552-A556 VanDerWaalsContact O-CB 3.27Å; F552-A556 WeakPolarHBondContact O-CB 3.25Å; F552-A556 PolarHBondContact O-N 2.85Å; E553-A556 PolarHBondContact O-N 3.1Å; A556-K560 WeakPolarHBondContact O-CB 3.4Å; A556-K560 WeakPolarHBondContact O-CG 3.28Å; A556-K560 PolarHBondContact O-N 3.05Å
557N92.9Very high88Confident50 Ų5064.7 Ų64.727%0.26733%0.325SS..Hα-helixtrans-66.9-42.7177.9-71.4-32.8000112L423 E553 C555 K560 L561L423-N557 HydrophobicContact CD1-CB 4.11Å; L423-N557 HydrophobicContact CD2-CB 4.2Å; E553-N557 WeakPolarHBondContact O-CB 3.34Å; E553-N557 VanDerWaalsContact O-CG 3.24Å; E553-N557 PolarHBondContact O-N 2.99Å; E553-N557 PolarHBondContact O-ND2 2.95Å; C555-N557 VanDerWaalsContact C-N 3.33Å; C555-N557 PolarHBondContact O-N 3.02Å; N557-K560 PolarHBondContact O-N 3.1Å; N557-L561 PolarHBondContact O-N 2.68Å
558L93.8Very high88.3Confident0 Ų065.5 Ų65.50%033%0.33CS..Hα-helixtrans-66.6-45.3177.2-172.457.7000111.5A419 M420 L423 M450 L452 F466 M554 C555 K560 L561 L562A419-L558 HydrophobicContact CB-CD1 3.58Å; M420-L558 HydrophobicContact CG-CD1 3.9Å; M420-L558 HydrophobicContact CG-CD2 4.17Å; L423-L558 HydrophobicContact CD1-CB 4.17Å; L423-L558 HydrophobicContact CD1-CD1 4.12Å; M450-L558 HydrophobicContact CE-CD2 3.66Å; L452-L558 HydrophobicContact CD1-CD2 3.64Å; L452-L558 HydrophobicContact CD2-CD2 4.3Å; F466-L558 HydrophobicContact CE1-CD2 4.01Å; F466-L558 HydrophobicContact CE1-CG 4.44Å; M554-L558 PolarHBondContact O-N 3.5Å; C555-L558 PolarHBondContact O-N 2.83Å; L558-K560 VanDerWaalsContact C-N 3.33Å; L558-K560 PolarHBondContact O-N 2.68Å; L558-L561 PolarHBondContact O-N 3.13Å; L558-L562 HydrophobicContact CD1-CD1 4.34Å; L558-L562 HydrophobicContact CG-CD1 4.01Å; L558-L562 WeakPolarHBondContact O-CG 3.3Å; L558-L562 PolarHBondContact O-N 2.83Å; L558-L562 VanDerWaalsContact O-N 3.1Å
559I93.2Very high88.6Confident59 Ų5964.6 Ų64.630%0.30332%0.32SS..Hα-helixtrans-59.7-42.3177.2-68.5166.4000111.2I403 F466 C555 L561 L562 A563I403-I559 HydrophobicContact CG2-CD1 4.16Å; I403-I559 HydrophobicContact CG2-CG1 3.96Å; I403-I559 HydrophobicContact CG2-CG2 4.1Å; F466-I559 HydrophobicContact CE1-CG1 4.14Å; F466-I559 HydrophobicContact CE2-CD1 4.26Å; F466-I559 HydrophobicContact CE2-CG1 4.18Å; F466-I559 HydrophobicContact CZ-CD1 4.12Å; F466-I559 HydrophobicContact CZ-CG1 3.64Å; C555-I559 HydrophobicContact CB-CD1 4.43Å; C555-I559 WeakPolarHBondContact O-CB 3.34Å; C555-I559 WeakPolarHBondContact O-CD1 3.35Å; C555-I559 WeakPolarHBondContact O-CG1 3.48Å; C555-I559 PolarHBondContact O-N 3.31Å; I559-L561 VanDerWaalsContact C-N 3.27Å; I559-L561 PolarHBondContact O-N 3.5Å; I559-L562 PolarHBondContact O-N 3.3Å; I559-A563 WeakPolarHBondContact O-CB 3.32Å; I559-A563 PolarHBondContact O-N 3.41Å
560K91.8Very high88.7Confident133 Ų13362.5 Ų62.558%0.57831%0.309SS*.Hα-helixtrans-60-34.1178.1-80.1170.4-172.9173.40113.4A556 N557 L558A556-K560 WeakPolarHBondContact O-CB 3.4Å; A556-K560 WeakPolarHBondContact O-CG 3.28Å; A556-K560 PolarHBondContact O-N 3.05Å; N557-K560 PolarHBondContact O-N 3.1Å; L558-K560 VanDerWaalsContact C-N 3.33Å; L558-K560 PolarHBondContact O-N 2.68Å
561L91.1Very high88.8Confident26 Ų2666.4 Ų66.414%0.13633%0.328CS..Hα-helixtrans-78.7-35.1176.5-78.8177.8000112.5A419 Q422 L423 N557 L558 I559 A563 R564A419-L561 HydrophobicContact CB-CB 3.91Å; A419-L561 HydrophobicContact CB-CD1 4.19Å; Q422-L561 HydrophobicContact CB-CD1 4.14Å; Q422-L561 HydrophobicContact CG-CD1 4.17Å; L423-L561 HydrophobicContact CD1-CD1 3.82Å; L423-L561 HydrophobicContact CD2-CD1 3.67Å; L423-L561 HydrophobicContact CG-CD1 3.46Å; L423-L561 VanDerWaalsContact CG-CD1 3.46Å; N557-L561 PolarHBondContact O-N 2.68Å; L558-L561 PolarHBondContact O-N 3.13Å; I559-L561 VanDerWaalsContact C-N 3.27Å; I559-L561 PolarHBondContact O-N 3.5Å; L561-A563 VanDerWaalsContact C-N 3.3Å; L561-R564 PolarHBondContact O-N 3.17Å
562L89Confident88.7Confident35 Ų3569.7 Ų69.718%0.18335%0.346CS..Hα-helixtrans-75.1-20.2178.4-65.7172.2000113.4I403 E415 V416 A419 L464 L558 I559 R564I403-L562 HydrophobicContact CD1-CB 4.18Å; I403-L562 HydrophobicContact CD1-CD1 3.75Å; E415-L562 HydrophobicContact CB-CD2 4.1Å; V416-L562 HydrophobicContact CG2-CD1 4Å; V416-L562 HydrophobicContact CG2-CD2 4.15Å; A419-L562 HydrophobicContact CB-CD2 3.94Å; A419-L562 HydrophobicContact CB-CG 4.27Å; L464-L562 HydrophobicContact CD2-CD1 4.04Å; L558-L562 HydrophobicContact CD1-CD1 4.34Å; L558-L562 HydrophobicContact CG-CD1 4.01Å; L558-L562 WeakPolarHBondContact O-CG 3.3Å; L558-L562 PolarHBondContact O-N 2.83Å; L558-L562 VanDerWaalsContact O-N 3.1Å; I559-L562 PolarHBondContact O-N 3.3Å; L562-R564 VanDerWaalsContact C-N 3.29Å
563A81.3Confident88.5Confident85 Ų8564.8 Ų64.870%0.70233%0.328SS*.THydrogen-bonded Turntrans-81.6-4.8175.100000113.9I559 L561I559-A563 WeakPolarHBondContact O-CB 3.32Å; I559-A563 PolarHBondContact O-N 3.41Å; L561-A563 VanDerWaalsContact C-N 3.3Å
564R61.1Low88.4Confident253 Ų25362.9 Ų62.996%0.95532%0.321SS*.  trans-97.90176.1-67.5178.2180-168.7-1.1109.9L561 L562L561-R564 PolarHBondContact O-N 3.17Å; L562-R564 VanDerWaalsContact C-N 3.29Å

Retrieved 564 of 564 residues in 156.9 ms (Link to these results)

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