A0A087XAD0_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XAD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 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
1M47.3Very low74.2Confident237 Ų237113.5 Ų113.5100%1.16755%0.552SS**  0134.60-76.7-177.9-175.300109.1K3M1-K3 PolarHBondContact O-N 3.28Å
2C51.1Low74.5Confident80 Ų80115.3 Ų115.354%0.54156%0.564SS.*  trans-59.3126.7177.5-1710000109.7
3K67.6Low75Confident203 Ų203113.1 Ų113.188%0.88355%0.554SS**  trans-90.53.8-179.8-68.3-174.3177.3-178.70113.5M1 E5M1-K3 PolarHBondContact O-N 3.28Å; K3-E5 PolarHBondContact O-N 3.49Å
4D83.6Confident75.4Confident74 Ų74108.2 Ų108.240%0.39655%0.548SS..  trans-79.9104.1178.317539.7000110.7K6 T7 I8D4-K6 PolarHBondContact O-N 3.24Å; D4-K6 VanDerWaalsContact O-N 3.14Å; D4-K6 PolarHBondContact OD1-N 3.35Å; D4-T7 PolarHBondContact O-N 3.4Å; D4-T7 VanDerWaalsContact O-N 3.1Å; D4-T7 WeakPolarHBondContact OD2-CB 3.46Å; D4-T7 PolarHBondContact OD2-N 3.21Å; D4-T7 PolarHBondContact OD2-OG1 2.99Å; D4-I8 WeakPolarHBondContact O-CG1 3.42Å; D4-I8 PolarHBondContact O-N 3.25Å
5E81.7Confident76.1Confident164 Ų164111.9 Ų111.977%0.76655%0.552SS**Hα-helixtrans-54.2-33.1179.5-69.3-172.3165.900112.8K3 I8 K9K3-E5 PolarHBondContact O-N 3.49Å; E5-I8 PolarHBondContact O-N 3.28Å; E5-K9 VanDerWaalsContact O-CB 3.32Å; E5-K9 WeakPolarHBondContact O-CB 3.31Å; E5-K9 PolarHBondContact O-N 2.89Å
6K82.9Confident77Confident139 Ų139106.6 Ų106.660%0.60452%0.524SS*.Hα-helixtrans-66.2-47.5178.2-176.5178.8179.9174.90111.3D4 I8 K9 E10D4-K6 PolarHBondContact O-N 3.24Å; D4-K6 VanDerWaalsContact O-N 3.14Å; D4-K6 PolarHBondContact OD1-N 3.35Å; K6-I8 VanDerWaalsContact C-N 3.34Å; K6-K9 PolarHBondContact O-N 3Å; K6-E10 WeakPolarHBondContact O-CB 3.41Å; K6-E10 WeakPolarHBondContact O-CG 3.49Å; K6-E10 PolarHBondContact O-N 3.46Å
7T79.9Confident77.8Confident24 Ų24101.2 Ų101.215%0.14750%0.499CS..Hα-helixtrans-63.6-40.8177-66.10000111.3D4 E10 L11D4-T7 PolarHBondContact O-N 3.4Å; D4-T7 VanDerWaalsContact O-N 3.1Å; D4-T7 WeakPolarHBondContact OD2-CB 3.46Å; D4-T7 PolarHBondContact OD2-N 3.21Å; D4-T7 PolarHBondContact OD2-OG1 2.99Å; T7-E10 PolarHBondContact O-N 3.45Å; T7-L11 HydrophobicContact CG2-CD1 4.1Å; T7-L11 WeakPolarHBondContact O-CG 3.2Å; T7-L11 PolarHBondContact O-N 3.42Å
8I79.4Confident78.5Confident72 Ų7297.9 Ų97.937%0.36950%0.495SS..Hα-helixtrans-59.5-50174.8-65.2169.6000110.3D4 E5 K6 E10 L11 I12D4-I8 WeakPolarHBondContact O-CG1 3.42Å; D4-I8 PolarHBondContact O-N 3.25Å; E5-I8 PolarHBondContact O-N 3.28Å; K6-I8 VanDerWaalsContact C-N 3.34Å; I8-E10 VanDerWaalsContact C-N 3.34Å; I8-E10 PolarHBondContact O-N 2.73Å; I8-L11 PolarHBondContact O-N 3.35Å; I8-I12 HydrophobicContact CG2-CD1 3.68Å; I8-I12 HydrophobicContact CG2-CG1 4.39Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 3.14Å
9K79.8Confident79.2Confident141 Ų14197.4 Ų97.461%0.61349%0.49SS*.Hα-helixtrans-59.5-43.6178-173.5174.6-177.4172.90111.9E5 K6 L11 I12 I13E5-K9 VanDerWaalsContact O-CB 3.32Å; E5-K9 WeakPolarHBondContact O-CB 3.31Å; E5-K9 PolarHBondContact O-N 2.89Å; K6-K9 PolarHBondContact O-N 3Å; K9-L11 PolarHBondContact O-N 2.56Å; K9-I12 PolarHBondContact O-N 3.42Å; K9-I13 HydrophobicContact CG-CD1 4.42Å; K9-I13 WeakPolarHBondContact O-CG1 3.39Å; K9-I13 PolarHBondContact O-N 3.28Å; K9-I13 VanDerWaalsContact O-N 3.12Å
10E82.4Confident80.1Confident30 Ų3092.6 Ų92.614%0.1447%0.465CS..Hα-helixtrans-61.5-39.6177.1-76.4177.5176.300112.7K6 T7 I8 G14 R15 R16K6-E10 WeakPolarHBondContact O-CB 3.41Å; K6-E10 WeakPolarHBondContact O-CG 3.49Å; K6-E10 PolarHBondContact O-N 3.46Å; T7-E10 PolarHBondContact O-N 3.45Å; I8-E10 VanDerWaalsContact C-N 3.34Å; I8-E10 PolarHBondContact O-N 2.73Å; E10-G14 PolarHBondContact O-N 3.22Å; E10-R15 HydrophobicContact CB-CB 4.34Å; E10-R15 HydrophobicContact CG-CB 4.45Å; E10-R15 CarbonylContact O-C 3.58Å; E10-R15 WeakPolarHBondContact O-CA 3.4Å; E10-R15 PolarHBondContact O-N 3.49Å; E10-R16 HydrophobicContact CB-CB 3.94Å; E10-R16 PolarHBondContact O-N 2.98Å; E10-R16 VanDerWaalsContact O-N 3.12Å; E10-R16 IonicContact OE2-CZ 2.71Å; E10-R16 IonicContact OE2-NE 2.8Å; E10-R16 PolarHBondContact OE2-NE 3.33Å; E10-R16 IonicContact OE2-NH2 3.24Å; E10-R16 PolarHBondContact OE2-NH2 3.18Å
11L80.4Confident80.8Confident84 Ų8491 Ų9144%0.4446%0.455SS..Hα-helixtrans-66.2-48.1175.8-73.4165.1000111.3T7 I8 K9 I13 G14 R16T7-L11 HydrophobicContact CG2-CD1 4.1Å; T7-L11 WeakPolarHBondContact O-CG 3.2Å; T7-L11 PolarHBondContact O-N 3.42Å; I8-L11 PolarHBondContact O-N 3.35Å; K9-L11 PolarHBondContact O-N 2.56Å; L11-I13 VanDerWaalsContact C-N 3.33Å; L11-I13 PolarHBondContact O-N 3.38Å; L11-G14 PolarHBondContact O-N 3.12Å; L11-G14 VanDerWaalsContact O-N 3.09Å; L11-R16 HydrophobicContact CD2-CB 4.07Å; L11-R16 HydrophobicContact CD2-CG 3.89Å; L11-R16 HydrophobicContact CG-CB 4.36Å; L11-R16 HydrophobicContact CG-CG 4.4Å
12I77.8Confident83.1Confident136 Ų13680.3 Ų80.370%0.69740%0.403SS*.Hα-helixtrans-59.2-44.4-178.3-68.7168.2000111.3I8 K9 G14I8-I12 HydrophobicContact CG2-CD1 3.68Å; I8-I12 HydrophobicContact CG2-CG1 4.39Å; I8-I12 WeakPolarHBondContact O-CG1 3.46Å; I8-I12 PolarHBondContact O-N 3.14Å; K9-I12 PolarHBondContact O-N 3.42Å; I12-G14 VanDerWaalsContact C-N 3.25Å; I12-G14 PolarHBondContact O-N 3.09Å
13I81.8Confident85.1Confident86 Ų8682.8 Ų82.844%0.44140%0.401SS..THydrogen-bonded Turntrans-85.46.5-178.570.8-168.9000113.3K9 L11 R15K9-I13 HydrophobicContact CG-CD1 4.42Å; K9-I13 WeakPolarHBondContact O-CG1 3.39Å; K9-I13 PolarHBondContact O-N 3.28Å; K9-I13 VanDerWaalsContact O-N 3.12Å; L11-I13 VanDerWaalsContact C-N 3.33Å; L11-I13 PolarHBondContact O-N 3.38Å; I13-R15 VanDerWaalsContact C-N 3.27Å; I13-R15 HydrophobicContact CD1-CB 4.36Å; I13-R15 HydrophobicContact CD1-CG 4Å; I13-R15 HydrophobicContact CG1-CB 4.01Å; I13-R15 HydrophobicContact CG1-CG 3.85Å; I13-R15 PolarHBondContact O-N 3.31Å
14G79.7Confident86.2Confident45 Ų4575.4 Ų75.446%0.46438%0.383SS..THydrogen-bonded Turntrans68.519.5178.700000115E10 L11 I12E10-G14 PolarHBondContact O-N 3.22Å; L11-G14 PolarHBondContact O-N 3.12Å; L11-G14 VanDerWaalsContact O-N 3.09Å; I12-G14 VanDerWaalsContact C-N 3.25Å; I12-G14 PolarHBondContact O-N 3.09Å
15R85.8Confident86.6Confident163 Ų16376.5 Ų76.562%0.61539%0.385SS*.SBendtrans-81.5-4.7171.1-77.8-174.5-169.1-179.2-2.4112.6E10 I13 V22E10-R15 HydrophobicContact CB-CB 4.34Å; E10-R15 HydrophobicContact CG-CB 4.45Å; E10-R15 CarbonylContact O-C 3.58Å; E10-R15 WeakPolarHBondContact O-CA 3.4Å; E10-R15 PolarHBondContact O-N 3.49Å; I13-R15 VanDerWaalsContact C-N 3.27Å; I13-R15 HydrophobicContact CD1-CB 4.36Å; I13-R15 HydrophobicContact CD1-CG 4Å; I13-R15 HydrophobicContact CG1-CB 4.01Å; I13-R15 HydrophobicContact CG1-CG 3.85Å; I13-R15 PolarHBondContact O-N 3.31Å; R15-V22 PolarHBondContact O-N 3.18Å
16R90.7Very high87.2Confident27 Ų2772.4 Ų72.410%0.10237%0.368CS..EExtended strand (participates in β ladder)trans-140.2141.6174.5-178.4177.1-70.1-123.722.6111.2E10 L11 G18 Y20E10-R16 HydrophobicContact CB-CB 3.94Å; E10-R16 PolarHBondContact O-N 2.98Å; E10-R16 VanDerWaalsContact O-N 3.12Å; E10-R16 IonicContact OE2-CZ 2.71Å; E10-R16 IonicContact OE2-NE 2.8Å; E10-R16 PolarHBondContact OE2-NE 3.33Å; E10-R16 IonicContact OE2-NH2 3.24Å; E10-R16 PolarHBondContact OE2-NH2 3.18Å; L11-R16 HydrophobicContact CD2-CB 4.07Å; L11-R16 HydrophobicContact CD2-CG 3.89Å; L11-R16 HydrophobicContact CG-CB 4.36Å; L11-R16 HydrophobicContact CG-CG 4.4Å; R16-G18 WeakPolarHBondContact CD-O 3.2Å; R16-G18 WeakPolarHBondContact CG-O 3.37Å; R16-Y20 CarbonylContact C-O 3.59Å; R16-Y20 VanDerWaalsContact CA-O 3.25Å; R16-Y20 WeakPolarHBondContact CA-O 3.47Å
17V91.1Very high87.4Confident16 Ų1666.9 Ų66.910%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-130.8113.1172.3178.10000106.7F19 Y20 V22 V86 F93V17-F19 PolarHBondContact O-N 3.1Å; V17-Y20 PolarHBondContact N-O 3Å; V17-Y20 WeakPolarHBondContact O-CA 3.49Å; V17-Y20 WeakPolarHBondContact O-CB 3.06Å; V17-Y20 WeakPolarHBondContact O-CD2 3.42Å; V17-Y20 PolarHBondContact O-N 3.33Å; V17-V22 HydrophobicContact CG2-CG2 4.04Å; V17-V86 HydrophobicContact CG1-CB 4.25Å; V17-V86 HydrophobicContact CG1-CG1 3.85Å; V17-F93 HydrophobicContact CB-CE1 4.45Å; V17-F93 HydrophobicContact CG1-CB 4.47Å; V17-F93 HydrophobicContact CG1-CD1 3.97Å; V17-F93 HydrophobicContact CG1-CD2 3.82Å; V17-F93 HydrophobicContact CG1-CE1 4.12Å; V17-F93 HydrophobicContact CG1-CE2 3.96Å; V17-F93 HydrophobicContact CG1-CG 3.84Å; V17-F93 HydrophobicContact CG1-CZ 4.11Å; V17-F93 HydrophobicContact CG2-CD1 4.06Å; V17-F93 HydrophobicContact CG2-CE1 3.59Å; V17-F93 HydrophobicContact CG2-CZ 3.85Å
18G89.9Confident87.6Confident42 Ų4275.8 Ų75.843%0.43338%0.383SS..THydrogen-bonded Turntrans51.8-123.3-172.600000112.2R16 Y20R16-G18 WeakPolarHBondContact CD-O 3.2Å; R16-G18 WeakPolarHBondContact CG-O 3.37Å; G18-Y20 VanDerWaalsContact C-N 3.31Å; G18-Y20 PolarHBondContact O-N 3.39Å
19F92.9Very high87.3Confident88 Ų8874.1 Ų74.139%0.38638%0.383SS..THydrogen-bonded Turntrans-85.67175.7-62.2-70.7000114.3V17 A40 P335V17-F19 PolarHBondContact O-N 3.1Å; F19-A40 HydrophobicContact CB-CB 4.46Å; F19-A40 WeakPolarHBondContact O-CA 3.49Å; F19-A40 WeakPolarHBondContact O-CB 3.39Å; F19-A40 PolarHBondContact O-N 3.42Å; F19-P335 HydrophobicContact CD2-CB 3.95Å; F19-P335 HydrophobicContact CE2-CB 3.68Å; F19-P335 HydrophobicContact CE2-CG 4.31Å
20Y96.3Very high86.9Confident0 Ų073.4 Ų73.40%039%0.391CS..EExtended strand (participates in β ladder)trans-105.5119-173.2-56.7-81000112.2R16 V17 G18 V22 H39 V46 L48 E84 V86 V95 I342R16-Y20 CarbonylContact C-O 3.59Å; R16-Y20 VanDerWaalsContact CA-O 3.25Å; R16-Y20 WeakPolarHBondContact CA-O 3.47Å; V17-Y20 PolarHBondContact N-O 3Å; V17-Y20 WeakPolarHBondContact O-CA 3.49Å; V17-Y20 WeakPolarHBondContact O-CB 3.06Å; V17-Y20 WeakPolarHBondContact O-CD2 3.42Å; V17-Y20 PolarHBondContact O-N 3.33Å; G18-Y20 VanDerWaalsContact C-N 3.31Å; G18-Y20 PolarHBondContact O-N 3.39Å; Y20-V22 PolarHBondContact O-N 3Å; Y20-H39 HydrophobicContact CD1-CB 4.06Å; Y20-H39 AromaticContact CD1-CD2 3.93Å; Y20-H39 HydrophobicContact CE1-CB 3.89Å; Y20-H39 AromaticContact CE1-CD2 3.41Å; Y20-H39 VanDerWaalsContact CE1-CD2 3.41Å; Y20-H39 WeakPolarHBondContact CE1-CD2 3.41Å; Y20-H39 AromaticContact CE1-CG 3.96Å; Y20-H39 AromaticContact CZ-CD2 3.71Å; Y20-V46 HydrophobicContact CD1-CG2 3.67Å; Y20-V46 HydrophobicContact CE1-CG1 4.39Å; Y20-V46 HydrophobicContact CE1-CG2 4.07Å; Y20-L48 HydrophobicContact CG-CD2 4.28Å; Y20-E84 VanDerWaalsContact CE2-OE2 3.23Å; Y20-E84 WeakPolarHBondContact CE2-OE2 3.39Å; Y20-E84 VanDerWaalsContact CZ-OE2 3.27Å; Y20-E84 PolarHBondContact OH-OE2 3.4Å; Y20-V86 HydrophobicContact CD2-CG2 4.43Å; Y20-V86 HydrophobicContact CE2-CG2 4.16Å; Y20-V95 HydrophobicContact CD1-CG1 4.05Å; Y20-V95 HydrophobicContact CD2-CG2 4.08Å; Y20-V95 HydrophobicContact CE1-CB 4.42Å; Y20-V95 HydrophobicContact CE1-CG1 3.38Å; Y20-V95 HydrophobicContact CE1-CG2 4.24Å; Y20-V95 HydrophobicContact CE2-CG1 4.31Å; Y20-V95 HydrophobicContact CE2-CG2 3.64Å; Y20-I342 HydrophobicContact CE1-CD1 4.28Å
21K95.4Very high86.5Confident59 Ų5978 Ų7826%0.25741%0.411SS..EExtended strand (participates in β ladder)trans-84.4107.6173.6-69.1178.4175.5176.10109.8A37 F38K21-A37 CarbonylContact O-C 3.58Å; K21-A37 WeakPolarHBondContact O-CA 3.06Å; K21-A37 WeakPolarHBondContact O-CB 3.16Å; K21-F38 PolarHBondContact N-O 3.22Å; K21-F38 PolarHBondContact O-N 2.92Å
22V94.6Very high86.9Confident13 Ų1374.9 Ų74.98%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-72.4141.3-176-170.30000110.9R15 V17 Y20 K35 L48R15-V22 PolarHBondContact O-N 3.18Å; V17-V22 HydrophobicContact CG2-CG2 4.04Å; Y20-V22 PolarHBondContact O-N 3Å; V22-K35 HydrophobicContact CG1-CB 4Å; V22-K35 HydrophobicContact CG1-CD 3.59Å; V22-K35 HydrophobicContact CG1-CG 4.44Å; V22-L48 HydrophobicContact CG2-CD1 3.87Å
23R93.8Very high87.6Confident133 Ų13375.6 Ų75.650%0.50239%0.39SS..EExtended strand (participates in β ladder)trans-123.6-145.7177.4-61.9-64.3-172.1-136.49.1110.3L36 F38R23-L36 WeakPolarHBondContact CA-O 3.43Å; R23-L36 HydrophobicContact CB-CB 4.29Å; R23-L36 HydrophobicContact CB-CD2 4.42Å; R23-L36 HydrophobicContact CB-CG 4.27Å; R23-L36 WeakPolarHBondContact CB-O 3.37Å; R23-L36 PolarHBondContact N-O 2.93Å; R23-F38 HydrophobicContact CG-CD2 3.74Å; R23-F38 HydrophobicContact CG-CE2 3.83Å
24G90Very high88.2Confident47 Ų4773.1 Ų73.149%0.48538%0.378SS..EExtended strand (participates in β ladder)trans-67.6160.3-176.900000113.3K35 L36G24-K35 WeakPolarHBondContact O-CA 3.47Å; G24-L36 PolarHBondContact O-N 3.13Å
25E92.9Very high89Confident97 Ų9773.9 Ų73.945%0.45337%0.369SS..EExtended strand (participates in β ladder)trans-74.6135.9170.9-161.9157.1128.700109.6
26I92.8Very high89.5Confident78 Ų7867.5 Ų67.540%0.435%0.347SS..EExtended strand (participates in β ladder)trans-123-9.2-178.260.9173.3000112.8V34 L36 A47 Y98I26-V34 HydrophobicContact CD1-CG1 3.88Å; I26-V34 HydrophobicContact CG1-CB 4.13Å; I26-V34 HydrophobicContact CG1-CG1 3.75Å; I26-V34 WeakPolarHBondContact CG1-O 3.49Å; I26-V34 PolarHBondContact N-O 2.98Å; I26-L36 HydrophobicContact CD1-CB 4.45Å; I26-L36 HydrophobicContact CG2-CB 3.84Å; I26-A47 HydrophobicContact CD1-CB 4.08Å; I26-Y98 HydrophobicContact CD1-CD2 3.92Å; I26-Y98 HydrophobicContact CD1-CE2 3.79Å
27G87.6Confident89.8Confident23 Ų2366.2 Ų66.224%0.23734%0.342CS..EExtended strand (participates in β ladder)trans-170.2158.417600000112.9V34G27-V34 PolarHBondContact N-O 3.26Å; G27-V34 PolarHBondContact O-N 3.39Å
28Y84.3Confident90.1Very high212 Ų21268.4 Ų68.483%0.83135%0.351SS*.EExtended strand (participates in β ladder)trans-128.4142.3175.754.5-92.6000109.6
29G73.4Confident90.4Very high37 Ų3766.4 Ų66.438%0.38133%0.33SS..  trans-129.4172.8168.900000110.2F31 S32G29-F31 PolarHBondContact O-N 3.13Å; G29-S32 CarbonylContact C-O 3.34Å; G29-S32 PolarHBondContact N-O 3.1Å; G29-S32 VanDerWaalsContact O-O 3.06Å
30T71.3Confident90.5Very high125 Ų12563 Ų6377%0.76732%0.318SS*.SBendtrans-56.7-39.1-178.5-48.10000112.5
31F74.9Confident90.4Very high127 Ų12766 Ų6656%0.55733%0.333SS*.SBendtrans-124.86.4-176.6-53.5-72.1000113.5G29G29-F31 PolarHBondContact O-N 3.13Å
32S87.5Confident90.4Very high19 Ų1963.7 Ų63.713%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-140.7157.6-176.268.70000112.3G29 I50G29-S32 CarbonylContact C-O 3.34Å; G29-S32 PolarHBondContact N-O 3.1Å; G29-S32 VanDerWaalsContact O-O 3.06Å; S32-I50 VanDerWaalsContact CA-O 3.23Å; S32-I50 WeakPolarHBondContact CA-O 3.36Å; S32-I50 WeakPolarHBondContact CB-O 3.32Å
33R92.1Very high90.4Very high151 Ų15169.8 Ų69.857%0.5735%0.35SS*.EExtended strand (participates in β ladder)trans-125.4141.6168.2-63.5-174-174.7-172.82.3108.7I50R33-I50 PolarHBondContact N-O 3.31Å; R33-I50 PolarHBondContact O-N 3.1Å
34V94.8Very high90.5Very high33 Ų3365.4 Ų65.420%0.234%0.336CS..EExtended strand (participates in β ladder)trans-111.2124.7178.9-167.70000109I26 G27 A47 L48 K49I26-V34 HydrophobicContact CD1-CG1 3.88Å; I26-V34 HydrophobicContact CG1-CB 4.13Å; I26-V34 HydrophobicContact CG1-CG1 3.75Å; I26-V34 WeakPolarHBondContact CG1-O 3.49Å; I26-V34 PolarHBondContact N-O 2.98Å; G27-V34 PolarHBondContact N-O 3.26Å; G27-V34 PolarHBondContact O-N 3.39Å; V34-A47 HydrophobicContact CG1-CB 4.02Å; V34-L48 CarbonylContact C-O 3.57Å; V34-L48 VanDerWaalsContact CA-O 3.28Å; V34-L48 WeakPolarHBondContact CA-O 3.36Å; V34-K49 HydrophobicContact CG2-CB 4.42Å; V34-K49 HydrophobicContact CG2-CG 4.35Å
35K96.3Very high90.8Very high61 Ų6168.6 Ų68.627%0.26534%0.337SS..EExtended strand (participates in β ladder)trans-119.9142.7177.5-63.3-164173.3-168.70111.2V22 G24 L48 I50V22-K35 HydrophobicContact CG1-CB 4Å; V22-K35 HydrophobicContact CG1-CD 3.59Å; V22-K35 HydrophobicContact CG1-CG 4.44Å; G24-K35 WeakPolarHBondContact O-CA 3.47Å; K35-L48 PolarHBondContact N-O 3.46Å; K35-L48 PolarHBondContact O-N 2.86Å; K35-I50 HydrophobicContact CB-CD1 4.48Å; K35-I50 HydrophobicContact CD-CD1 3.94Å; K35-I50 HydrophobicContact CG-CD1 3.99Å
36L96.8Very high91.1Very high30 Ų3064 Ų6416%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-67.5140166175.264.4000108.9R23 G24 I26 F38 K45 Y98R23-L36 WeakPolarHBondContact CA-O 3.43Å; R23-L36 HydrophobicContact CB-CB 4.29Å; R23-L36 HydrophobicContact CB-CD2 4.42Å; R23-L36 HydrophobicContact CB-CG 4.27Å; R23-L36 WeakPolarHBondContact CB-O 3.37Å; R23-L36 PolarHBondContact N-O 2.93Å; G24-L36 PolarHBondContact O-N 3.13Å; I26-L36 HydrophobicContact CD1-CB 4.45Å; I26-L36 HydrophobicContact CG2-CB 3.84Å; L36-F38 HydrophobicContact CD2-CE2 4.31Å; L36-F38 HydrophobicContact CG-CE2 4.45Å; L36-K45 HydrophobicContact CD1-CB 4.17Å; L36-K45 HydrophobicContact CD1-CG 4.35Å; L36-Y98 HydrophobicContact CD1-CD1 4.36Å; L36-Y98 HydrophobicContact CD1-CD2 3.91Å; L36-Y98 HydrophobicContact CD1-CE1 4.37Å; L36-Y98 HydrophobicContact CD1-CE2 3.95Å; L36-Y98 HydrophobicContact CD1-CG 4.12Å
37A97.6Very high91.3Very high0 Ų060.7 Ų60.70%030%0.3CS..EExtended strand (participates in β ladder)trans-142.4168.4169.100000111.4K21 K45 V46 L48K21-A37 CarbonylContact O-C 3.58Å; K21-A37 WeakPolarHBondContact O-CA 3.06Å; K21-A37 WeakPolarHBondContact O-CB 3.16Å; A37-K45 WeakPolarHBondContact O-CA 3.44Å; A37-V46 HydrophobicContact CB-CG2 3.85Å; A37-V46 PolarHBondContact N-O 3.47Å; A37-V46 PolarHBondContact O-N 3.21Å; A37-L48 HydrophobicContact CB-CD1 3.48Å; A37-L48 VanDerWaalsContact CB-CD1 3.48Å; A37-L48 HydrophobicContact CB-CD2 4.49Å; A37-L48 HydrophobicContact CB-CG 3.69Å
38F97.4Very high91.7Very high62 Ų6259.6 Ų59.627%0.27229%0.288SS..EExtended strand (participates in β ladder)trans-120.7128.2173.8-71-97.7000109.4K21 R23 L36 A40 D44 K45K21-F38 PolarHBondContact N-O 3.22Å; K21-F38 PolarHBondContact O-N 2.92Å; R23-F38 HydrophobicContact CG-CD2 3.74Å; R23-F38 HydrophobicContact CG-CE2 3.83Å; L36-F38 HydrophobicContact CD2-CE2 4.31Å; L36-F38 HydrophobicContact CG-CE2 4.45Å; F38-A40 PolarHBondContact O-N 2.76Å; F38-D44 WeakPolarHBondContact CA-O 3.03Å; F38-K45 HydrophobicContact CD1-CG 4Å; F38-K45 HydrophobicContact CE1-CD 4.29Å; F38-K45 HydrophobicContact CE1-CG 3.43Å; F38-K45 VanDerWaalsContact CE1-CG 3.43Å; F38-K45 HydrophobicContact CZ-CD 4.34Å; F38-K45 HydrophobicContact CZ-CG 3.78Å
39H96.8Very high92.2Very high0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-68.9131173.6-177.8-111.1000110.1Y20 L41 T42 K43 D44 I342Y20-H39 HydrophobicContact CD1-CB 4.06Å; Y20-H39 AromaticContact CD1-CD2 3.93Å; Y20-H39 HydrophobicContact CE1-CB 3.89Å; Y20-H39 AromaticContact CE1-CD2 3.41Å; Y20-H39 VanDerWaalsContact CE1-CD2 3.41Å; Y20-H39 WeakPolarHBondContact CE1-CD2 3.41Å; Y20-H39 AromaticContact CE1-CG 3.96Å; Y20-H39 AromaticContact CZ-CD2 3.71Å; H39-L41 PolarHBondContact O-N 3.48Å; H39-T42 WeakPolarHBondContact ND1-CG2 3.45Å; H39-T42 PolarHBondContact ND1-N 3.48Å; H39-T42 PolarHBondContact ND1-OG1 3.1Å; H39-K43 WeakPolarHBondContact O-CA 3.42Å; H39-K43 PolarHBondContact O-N 3.23Å; H39-D44 PolarHBondContact N-O 2.65Å; H39-I342 HydrophobicContact CB-CD1 4.12Å
40A94.2Very high93.2Very high15 Ų1549.2 Ų49.212%0.12424%0.238CC..THydrogen-bonded Turntrans-71.6-30.5-165.900000113.3F19 F38 K43F19-A40 HydrophobicContact CB-CB 4.46Å; F19-A40 WeakPolarHBondContact O-CA 3.49Å; F19-A40 WeakPolarHBondContact O-CB 3.39Å; F19-A40 PolarHBondContact O-N 3.42Å; F38-A40 PolarHBondContact O-N 2.76Å; A40-K43 WeakPolarHBondContact O-CE 3.46Å; A40-K43 PolarHBondContact O-NZ 2.78Å
41L93.6Very high94.1Very high63 Ų6343.9 Ų43.933%0.3320%0.204SC..THydrogen-bonded Turntrans-85.6-62179.7-54.7175.4000110.3H39 K43 L317 F319 V339H39-L41 PolarHBondContact O-N 3.48Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 3.47Å; L41-L317 HydrophobicContact CB-CD1 4.46Å; L41-L317 HydrophobicContact CB-CD2 4.35Å; L41-F319 HydrophobicContact CD1-CE2 4.04Å; L41-F319 HydrophobicContact CD1-CZ 3.89Å; L41-V339 HydrophobicContact CD1-CG2 4.23Å
42T95.1Very high94.7Very high12 Ų1240.2 Ų40.27%0.07419%0.191CC..THydrogen-bonded Turntrans-75.4-16.1-173.571.90000114.2H39 D44 L317 V339 I342 L343 R346H39-T42 WeakPolarHBondContact ND1-CG2 3.45Å; H39-T42 PolarHBondContact ND1-N 3.48Å; H39-T42 PolarHBondContact ND1-OG1 3.1Å; T42-D44 WeakPolarHBondContact CB-OD2 3.38Å; T42-D44 PolarHBondContact O-N 2.97Å; T42-D44 PolarHBondContact OG1-N 2.71Å; T42-D44 PolarHBondContact OG1-OD2 2.89Å; T42-L317 HydrophobicContact CG2-CD1 3.97Å; T42-V339 HydrophobicContact CG2-CG1 3.92Å; T42-I342 HydrophobicContact CG2-CG2 4.28Å; T42-L343 HydrophobicContact CG2-CD2 3.74Å; T42-L343 HydrophobicContact CG2-CG 4Å; T42-R346 PolarHBondContact O-NH1 3.22Å
43K95.7Very high94.6Very high141 Ų14143.7 Ų43.761%0.61320%0.201SC*.  trans665.6-176.3-44.6-56.2179.5-173.20115.2H39 A40 L41H39-K43 WeakPolarHBondContact O-CA 3.42Å; H39-K43 PolarHBondContact O-N 3.23Å; A40-K43 WeakPolarHBondContact O-CE 3.46Å; A40-K43 PolarHBondContact O-NZ 2.78Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 3.47Å
44D95.6Very high94.1Very high40 Ų4041.5 Ų41.521%0.21421%0.205CC..  trans-68.2147.5179.4-67.3-74.3000112.4F38 H39 T42 I342 R346F38-D44 WeakPolarHBondContact CA-O 3.03Å; H39-D44 PolarHBondContact N-O 2.65Å; T42-D44 WeakPolarHBondContact CB-OD2 3.38Å; T42-D44 PolarHBondContact O-N 2.97Å; T42-D44 PolarHBondContact OG1-N 2.71Å; T42-D44 PolarHBondContact OG1-OD2 2.89Å; D44-I342 HydrophobicContact CB-CG2 3.73Å; D44-I342 WeakPolarHBondContact OD2-CG2 3.05Å; D44-R346 WeakPolarHBondContact OD1-CD 3.5Å; D44-R346 IonicContact OD2-NH1 3.18Å; D44-R346 PolarHBondContact OD2-NH1 2.99Å
45K96.9Very high93.3Very high114 Ų11448.9 Ų48.950%0.49623%0.229SC..EExtended strand (participates in β ladder)trans-75.7135.6171.9-69.4177.9-174.8174.60109.6L36 A37 F38 Y98L36-K45 HydrophobicContact CD1-CB 4.17Å; L36-K45 HydrophobicContact CD1-CG 4.35Å; A37-K45 WeakPolarHBondContact O-CA 3.44Å; F38-K45 HydrophobicContact CD1-CG 4Å; F38-K45 HydrophobicContact CE1-CD 4.29Å; F38-K45 HydrophobicContact CE1-CG 3.43Å; F38-K45 VanDerWaalsContact CE1-CG 3.43Å; F38-K45 HydrophobicContact CZ-CD 4.34Å; F38-K45 HydrophobicContact CZ-CG 3.78Å; K45-Y98 HydrophobicContact CB-CD1 3.92Å; K45-Y98 HydrophobicContact CB-CG 4.29Å; K45-Y98 HydrophobicContact CD-CD1 4.01Å; K45-Y98 HydrophobicContact CD-CE1 4.04Å
46V97.6Very high92.4Very high0 Ų046.9 Ų46.90%022%0.221CC..EExtended strand (participates in β ladder)trans-134.8157.1175.5-57.40000110.5Y20 A37 L48 Y83 V95 I342Y20-V46 HydrophobicContact CD1-CG2 3.67Å; Y20-V46 HydrophobicContact CE1-CG1 4.39Å; Y20-V46 HydrophobicContact CE1-CG2 4.07Å; A37-V46 HydrophobicContact CB-CG2 3.85Å; A37-V46 PolarHBondContact N-O 3.47Å; A37-V46 PolarHBondContact O-N 3.21Å; V46-L48 HydrophobicContact CG2-CD2 4.23Å; V46-Y83 HydrophobicContact CG1-CD2 4Å; V46-Y83 HydrophobicContact CG1-CE2 4.08Å; V46-V95 HydrophobicContact CB-CG1 3.89Å; V46-V95 HydrophobicContact CG1-CG1 4.06Å; V46-V95 HydrophobicContact CG2-CG1 3.91Å; V46-I342 HydrophobicContact CG1-CD1 4.27Å
47A97.6Very high91.8Very high9 Ų949.7 Ų49.77%0.07424%0.236CC..EExtended strand (participates in β ladder)trans-100.5126.3169.100000109.5I26 V34 L96 Y98I26-A47 HydrophobicContact CD1-CB 4.08Å; V34-A47 HydrophobicContact CG1-CB 4.02Å; A47-L96 HydrophobicContact CB-CB 4.32Å; A47-L96 PolarHBondContact N-O 2.97Å; A47-L96 PolarHBondContact O-N 3.12Å; A47-Y98 HydrophobicContact CB-CD2 4.49Å
48L96.7Very high91.1Very high0 Ų053.5 Ų53.50%027%0.268CS..EExtended strand (participates in β ladder)trans-100.3105.9175.6-63-178.1000109.4Y20 V22 V34 K35 A37 V46 I50 L94 V95Y20-L48 HydrophobicContact CG-CD2 4.28Å; V22-L48 HydrophobicContact CG2-CD1 3.87Å; V34-L48 CarbonylContact C-O 3.57Å; V34-L48 VanDerWaalsContact CA-O 3.28Å; V34-L48 WeakPolarHBondContact CA-O 3.36Å; K35-L48 PolarHBondContact N-O 3.46Å; K35-L48 PolarHBondContact O-N 2.86Å; A37-L48 HydrophobicContact CB-CD1 3.48Å; A37-L48 VanDerWaalsContact CB-CD1 3.48Å; A37-L48 HydrophobicContact CB-CD2 4.49Å; A37-L48 HydrophobicContact CB-CG 3.69Å; V46-L48 HydrophobicContact CG2-CD2 4.23Å; L48-I50 HydrophobicContact CB-CG1 4.39Å; L48-L94 WeakPolarHBondContact CA-O 3.39Å; L48-V95 HydrophobicContact CD2-CB 4.18Å; L48-V95 HydrophobicContact CD2-CG1 4.1Å; L48-V95 HydrophobicContact CD2-CG2 3.7Å
49K94.8Very high90.3Very high14 Ų1456.4 Ų56.46%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-83.2111.6168.8-173.8175.1175.2-176.10108.1V34 L51 E67 F93 L94 L96 D160V34-K49 HydrophobicContact CG2-CB 4.42Å; V34-K49 HydrophobicContact CG2-CG 4.35Å; K49-L51 HydrophobicContact CG-CD1 4.2Å; K49-E67 IonicContact NZ-OE1 3.78Å; K49-E67 PolarHBondContact NZ-OE1 2.9Å; K49-E67 IonicContact NZ-OE2 3.82Å; K49-F93 WeakPolarHBondContact O-CA 3.27Å; K49-L94 HydrophobicContact CB-CB 4.23Å; K49-L94 HydrophobicContact CD-CD1 4.37Å; K49-L94 PolarHBondContact N-O 2.97Å; K49-L94 PolarHBondContact O-N 3.34Å; K49-L96 HydrophobicContact CB-CD1 4.1Å; K49-D160 IonicContact NZ-OD1 2.84Å; K49-D160 PolarHBondContact NZ-OD1 3.01Å
50I93.4Very high89.5Confident18 Ų1858 Ų589%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-102.9122.9-173.1-47.5178.7000108.7S32 R33 K35 L48 F93S32-I50 VanDerWaalsContact CA-O 3.23Å; S32-I50 WeakPolarHBondContact CA-O 3.36Å; S32-I50 WeakPolarHBondContact CB-O 3.32Å; R33-I50 PolarHBondContact N-O 3.31Å; R33-I50 PolarHBondContact O-N 3.1Å; K35-I50 HydrophobicContact CB-CD1 4.48Å; K35-I50 HydrophobicContact CD-CD1 3.94Å; K35-I50 HydrophobicContact CG-CD1 3.99Å; L48-I50 HydrophobicContact CB-CG1 4.39Å; I50-F93 HydrophobicContact CB-CD1 4.27Å; I50-F93 HydrophobicContact CB-CE1 4.33Å; I50-F93 HydrophobicContact CD1-CD1 4.32Å; I50-F93 HydrophobicContact CD1-CE1 4.07Å; I50-F93 HydrophobicContact CG1-CD1 3.78Å; I50-F93 HydrophobicContact CG1-CE1 3.96Å; I50-F93 HydrophobicContact CG2-CD1 3.95Å; I50-F93 HydrophobicContact CG2-CE1 3.62Å; I50-F93 HydrophobicContact CG2-CZ 4.24Å
51L90.9Very high89Confident12 Ų1261.8 Ų61.86%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-117.9141176.4-56.694.9000110.2K49 L64 R91 L92 L94K49-L51 HydrophobicContact CG-CD1 4.2Å; L51-L64 HydrophobicContact CD1-CD1 4.26Å; L51-L64 HydrophobicContact CD2-CD1 3.68Å; L51-L64 HydrophobicContact CD2-CD2 3.94Å; L51-L64 HydrophobicContact CD2-CG 4.41Å; L51-R91 CarbonylContact O-C 3.56Å; L51-R91 VanDerWaalsContact O-CA 3.26Å; L51-R91 WeakPolarHBondContact O-CA 3.41Å; L51-L92 HydrophobicContact CB-CB 4.39Å; L51-L92 PolarHBondContact N-O 2.9Å; L51-L92 PolarHBondContact O-N 3.12Å; L51-L94 HydrophobicContact CD1-CD1 4.42Å; L51-L94 HydrophobicContact CD1-CG 4.17Å
52D88.1Confident88.5Confident51 Ų5163.8 Ų63.827%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-93.2108.6178.6-175.8-14.2000110.3T54 R55 L56D52-T54 VanDerWaalsContact C-N 3.26Å; D52-T54 PolarHBondContact O-N 3.05Å; D52-T54 WeakPolarHBondContact OD1-CB 3.48Å; D52-T54 PolarHBondContact OD1-N 3.14Å; D52-T54 PolarHBondContact OD1-OG1 3.38Å; D52-R55 HydrophobicContact CB-CG 4.44Å; D52-R55 PolarHBondContact O-N 3.05Å; D52-R55 VanDerWaalsContact OD2-CD 3.29Å; D52-R55 WeakPolarHBondContact OD2-CD 3.32Å; D52-L56 VanDerWaalsContact O-CG 3.28Å; D52-L56 WeakPolarHBondContact O-CG 3.48Å
53R84.1Confident87.8Confident91 Ų9165.4 Ų65.434%0.34332%0.323SS..G310 helixtrans-66.5-27.4-176.4-65-17977.7145.77.5112.7R55 L56 E87 T88 S90 L92R53-R55 PolarHBondContact O-N 3.04Å; R53-L56 PolarHBondContact O-N 3.39Å; R53-E87 IonicContact CZ-OE2 3.54Å; R53-E87 IonicContact NH1-OE2 3.88Å; R53-E87 PolarHBondContact NH1-OE2 3.16Å; R53-E87 IonicContact NH2-OE2 2.97Å; R53-T88 WeakPolarHBondContact CD-O 3.35Å; R53-S90 PolarHBondContact N-O 3.3Å; R53-L92 HydrophobicContact CG-CB 4.24Å
54T82.1Confident87.3Confident106 Ų10659.2 Ų59.265%0.6530%0.296SS*.G310 helixtrans-70.9-17.2-177.768.20000112.6D52D52-T54 VanDerWaalsContact C-N 3.26Å; D52-T54 PolarHBondContact O-N 3.05Å; D52-T54 WeakPolarHBondContact OD1-CB 3.48Å; D52-T54 PolarHBondContact OD1-N 3.14Å; D52-T54 PolarHBondContact OD1-OG1 3.38Å
55R78.2Confident86.9Confident188 Ų18860.9 Ų60.971%0.70931%0.311SS*.G310 helixtrans-106.72.3-177.9-59.8-178.864.8-155.6-3.4113D52 R53D52-R55 HydrophobicContact CB-CG 4.44Å; D52-R55 PolarHBondContact O-N 3.05Å; D52-R55 VanDerWaalsContact OD2-CD 3.29Å; D52-R55 WeakPolarHBondContact OD2-CD 3.32Å; R53-R55 PolarHBondContact O-N 3.04Å
56L78.3Confident86.4Confident18 Ų1860.1 Ų60.19%0.09431%0.305CS..  trans-92.1119.3-179.4-53.5-176000110D52 R53 T60 Q61 L64D52-L56 VanDerWaalsContact O-CG 3.28Å; D52-L56 WeakPolarHBondContact O-CG 3.48Å; R53-L56 PolarHBondContact O-N 3.39Å; L56-T60 HydrophobicContact CD2-CG2 3.7Å; L56-Q61 HydrophobicContact CB-CG 3.78Å; L56-Q61 HydrophobicContact CD1-CG 4.38Å; L56-Q61 PolarHBondContact O-NE2 2.92Å; L56-L64 HydrophobicContact CD1-CD2 3.67Å
57D83.3Confident86Confident89 Ų8960.5 Ų60.548%0.47631%0.307SS..  trans-70.6169.7165.162.614.6000111.4Q59 T60 Q61D57-Q59 PolarHBondContact O-N 3.44Å; D57-Q59 PolarHBondContact OD1-N 2.97Å; D57-T60 PolarHBondContact O-N 2.96Å; D57-T60 WeakPolarHBondContact OD1-CB 3.36Å; D57-T60 PolarHBondContact OD1-N 3.42Å; D57-T60 PolarHBondContact OD1-OG1 2.99Å; D57-Q61 WeakPolarHBondContact O-CG 3.38Å; D57-Q61 PolarHBondContact O-N 2.79Å
58A83.3Confident85.7Confident80 Ų8060.3 Ų60.366%0.66131%0.305SS*.Hα-helixtrans-58.5-35.8-177.900000112.6Q61 Q62A58-Q61 PolarHBondContact O-N 2.79Å; A58-Q62 PolarHBondContact O-N 3.15Å
59Q80.6Confident85.4Confident124 Ų12463.1 Ų63.158%0.57932%0.324SS*.Hα-helixtrans-66-45.6178-172.8178.28.100111.3D57 Q61 Q62 L63D57-Q59 PolarHBondContact O-N 3.44Å; D57-Q59 PolarHBondContact OD1-N 2.97Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 3.03Å; Q59-Q62 WeakPolarHBondContact O-CB 3.42Å; Q59-Q62 PolarHBondContact O-N 3.22Å; Q59-L63 WeakPolarHBondContact O-CG 3.49Å; Q59-L63 PolarHBondContact O-N 3.29Å
60T79.4Confident85.1Confident33 Ų3362.6 Ų62.620%0.20232%0.322CS..Hα-helixtrans-67.8-35.2178.8-50.80000111.4L56 D57 Q62 L63 L64L56-T60 HydrophobicContact CD2-CG2 3.7Å; D57-T60 PolarHBondContact O-N 2.96Å; D57-T60 WeakPolarHBondContact OD1-CB 3.36Å; D57-T60 PolarHBondContact OD1-N 3.42Å; D57-T60 PolarHBondContact OD1-OG1 2.99Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 2.73Å; T60-L63 PolarHBondContact O-N 2.95Å; T60-L64 WeakPolarHBondContact O-CB 3.42Å; T60-L64 PolarHBondContact O-N 3.47Å
61Q83.3Confident85Confident94 Ų9462 Ų6244%0.43932%0.319SS..Hα-helixtrans-62.7-37.7172.1-69.7-178.210.700112.4L56 D57 A58 Q59 L64 S65L56-Q61 HydrophobicContact CB-CG 3.78Å; L56-Q61 HydrophobicContact CD1-CG 4.38Å; L56-Q61 PolarHBondContact O-NE2 2.92Å; D57-Q61 WeakPolarHBondContact O-CG 3.38Å; D57-Q61 PolarHBondContact O-N 2.79Å; A58-Q61 PolarHBondContact O-N 2.79Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 3.03Å; Q61-L64 PolarHBondContact O-N 2.9Å; Q61-S65 WeakPolarHBondContact O-CB 3.29Å; Q61-S65 PolarHBondContact O-N 3.49Å; Q61-S65 PolarHBondContact O-OG 3.46Å
62Q83Confident85Confident105 Ų10564 Ų6449%0.49133%0.328SS..Hα-helixtrans-67.9-43175.3-168.4-179.614.900111.6A58 Q59 T60 L64 S65 R66A58-Q62 PolarHBondContact O-N 3.15Å; Q59-Q62 WeakPolarHBondContact O-CB 3.42Å; Q59-Q62 PolarHBondContact O-N 3.22Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 2.73Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.21Å; Q62-S65 PolarHBondContact O-N 2.96Å; Q62-R66 VanDerWaalsContact NE2-NH2 3.2Å; Q62-R66 WeakPolarHBondContact O-CG 3.41Å; Q62-R66 PolarHBondContact O-N 3.15Å
63L80.9Confident84.9Confident46 Ų4664.3 Ų64.324%0.24133%0.333CS..Hα-helixtrans-60.2-43.4174.3-69.1174.4000111.5Q59 T60 R66 E67Q59-L63 WeakPolarHBondContact O-CG 3.49Å; Q59-L63 PolarHBondContact O-N 3.29Å; T60-L63 PolarHBondContact O-N 2.95Å; L63-R66 WeakPolarHBondContact O-CB 3.44Å; L63-R66 PolarHBondContact O-N 3.12Å; L63-E67 PolarHBondContact O-N 2.92Å
64L85.3Confident85.1Confident12 Ų1260.1 Ų60.16%0.06332%0.318CS..Hα-helixtrans-65.6-40.2178.2-176.354.1000112.8L51 L56 T60 Q61 Q62 R66 E67 I68 L92 L94L51-L64 HydrophobicContact CD1-CD1 4.26Å; L51-L64 HydrophobicContact CD2-CD1 3.68Å; L51-L64 HydrophobicContact CD2-CD2 3.94Å; L51-L64 HydrophobicContact CD2-CG 4.41Å; L56-L64 HydrophobicContact CD1-CD2 3.67Å; T60-L64 WeakPolarHBondContact O-CB 3.42Å; T60-L64 PolarHBondContact O-N 3.47Å; Q61-L64 PolarHBondContact O-N 2.9Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.21Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.11Å; L64-E67 WeakPolarHBondContact O-CB 3.21Å; L64-E67 PolarHBondContact O-N 3.49Å; L64-I68 HydrophobicContact CD1-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 4.36Å; L64-I68 WeakPolarHBondContact O-CG1 3.35Å; L64-I68 PolarHBondContact O-N 3.47Å; L64-L92 HydrophobicContact CD1-CD2 4.02Å; L64-L92 HydrophobicContact CD2-CD2 3.36Å; L64-L92 HydrophobicContact CG-CD2 3.72Å; L64-L94 HydrophobicContact CD1-CD1 4.44Å
65S87.3Confident85.4Confident75 Ų7559.1 Ų59.152%0.52431%0.306SS..Hα-helixtrans-61.9-38.7173.7-59.60000111.5Q61 Q62 S69Q61-S65 WeakPolarHBondContact O-CB 3.29Å; Q61-S65 PolarHBondContact O-N 3.49Å; Q61-S65 PolarHBondContact O-OG 3.46Å; Q62-S65 PolarHBondContact O-N 2.96Å; S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 3.1Å
66R85.8Confident85.9Confident97 Ų9750.2 Ų50.237%0.36627%0.272SS..Hα-helixtrans-68.7-39.1174.7-71.2172.7178.6178.30.4112.5Q62 L63 L64 S69 S70Q62-R66 VanDerWaalsContact NE2-NH2 3.2Å; Q62-R66 WeakPolarHBondContact O-CG 3.41Å; Q62-R66 PolarHBondContact O-N 3.15Å; L63-R66 WeakPolarHBondContact O-CB 3.44Å; L63-R66 PolarHBondContact O-N 3.12Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 3.11Å; R66-S69 PolarHBondContact O-N 2.83Å; R66-S70 WeakPolarHBondContact O-CB 3.25Å; R66-S70 PolarHBondContact O-N 3.33Å; R66-S70 PolarHBondContact O-OG 3.46Å
67E89.4Confident86.4Confident8 Ų850 Ų504%0.03727%0.272CS..Hα-helixtrans-57.5-53.1174176.8174.2-165.600109.8K49 L63 L64 S69 S70 M71 F161K49-E67 IonicContact NZ-OE1 3.78Å; K49-E67 PolarHBondContact NZ-OE1 2.9Å; K49-E67 IonicContact NZ-OE2 3.82Å; L63-E67 PolarHBondContact O-N 2.92Å; L64-E67 WeakPolarHBondContact O-CB 3.21Å; L64-E67 PolarHBondContact O-N 3.49Å; E67-S69 PolarHBondContact O-N 3.33Å; E67-S70 PolarHBondContact O-N 2.99Å; E67-M71 HydrophobicContact CG-SD 4.07Å; E67-M71 VanDerWaalsContact O-CG 3.3Å; E67-M71 WeakPolarHBondContact O-CG 3.34Å; E67-M71 PolarHBondContact O-N 3.43Å; E67-F161 HydrophobicContact CG-CB 3.91Å
68I91.4Very high86.9Confident6 Ų645.9 Ų45.93%0.03125%0.25CS..Hα-helixtrans-58.7-51179.1-66.9164.7000110.9L64 S70 M71 E72 L82 V85 L92 L94L64-I68 HydrophobicContact CD1-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 4.36Å; L64-I68 WeakPolarHBondContact O-CG1 3.35Å; L64-I68 PolarHBondContact O-N 3.47Å; I68-S70 VanDerWaalsContact C-N 3.27Å; I68-S70 PolarHBondContact O-N 3.2Å; I68-M71 PolarHBondContact O-N 2.92Å; I68-M71 VanDerWaalsContact O-N 3.12Å; I68-E72 HydrophobicContact CG2-CG 4.26Å; I68-E72 WeakPolarHBondContact O-CG 3.19Å; I68-E72 PolarHBondContact O-N 3.4Å; I68-L82 HydrophobicContact CG2-CD2 4.35Å; I68-V85 HydrophobicContact CD1-CG1 4.25Å; I68-V85 HydrophobicContact CD1-CG2 4.44Å; I68-V85 HydrophobicContact CG1-CG2 4.38Å; I68-V85 HydrophobicContact CG2-CG2 4Å; I68-L92 HydrophobicContact CD1-CD2 3.87Å; I68-L94 HydrophobicContact CD1-CD2 3.97Å; I68-L94 HydrophobicContact CG1-CD2 3.77Å
69S90.5Very high87.4Confident59 Ų5942.1 Ų42.141%0.41322%0.219SC..Hα-helixtrans-61.2-35.5-179.5177.70000112.7S65 R66 E67S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 3.1Å; R66-S69 PolarHBondContact O-N 2.83Å; E67-S69 PolarHBondContact O-N 3.33Å
70S89.6Confident88.1Confident3 Ų336.5 Ų36.52%0.02119%0.193CC..Hα-helixtrans-65.6-50.2174.1-56.90000110R66 E67 I68 E72 C73 L74 S164R66-S70 WeakPolarHBondContact O-CB 3.25Å; R66-S70 PolarHBondContact O-N 3.33Å; R66-S70 PolarHBondContact O-OG 3.46Å; E67-S70 PolarHBondContact O-N 2.99Å; I68-S70 VanDerWaalsContact C-N 3.27Å; I68-S70 PolarHBondContact O-N 3.2Å; S70-E72 VanDerWaalsContact C-N 3.33Å; S70-E72 PolarHBondContact O-N 2.97Å; S70-C73 PolarHBondContact O-N 3.28Å; S70-L74 VanDerWaalsContact O-CG 3.29Å; S70-L74 WeakPolarHBondContact O-CG 3.48Å; S70-S164 WeakPolarHBondContact CB-OG 3.46Å; S70-S164 PolarHBondContact OG-OG 2.83Å
71M91.3Very high88.8Confident6 Ų635.9 Ų35.93%0.0319%0.187CC..Hα-helixtrans-66.5-29.7-176.5-66.5-174.380.900114E67 I68 C73 L74 L82 L96 F161E67-M71 HydrophobicContact CG-SD 4.07Å; E67-M71 VanDerWaalsContact O-CG 3.3Å; E67-M71 WeakPolarHBondContact O-CG 3.34Å; E67-M71 PolarHBondContact O-N 3.43Å; I68-M71 PolarHBondContact O-N 2.92Å; I68-M71 VanDerWaalsContact O-N 3.12Å; M71-C73 PolarHBondContact O-N 3.28Å; M71-L74 PolarHBondContact O-N 3.39Å; M71-L82 HydrophobicContact CB-CB 3.88Å; M71-L82 HydrophobicContact CB-CD2 3.94Å; M71-L82 HydrophobicContact CE-CB 4.19Å; M71-L96 HydrophobicContact CE-CD1 4.42Å; M71-L96 HydrophobicContact CE-CD2 3.41Å; M71-L96 VanDerWaalsContact CE-CD2 3.41Å; M71-L96 HydrophobicContact SD-CD2 4.3Å; M71-F161 HydrophobicContact CE-CD2 3.92Å; M71-F161 HydrophobicContact CE-CE2 4.43Å; M71-F161 HydrophobicContact CG-CB 3.9Å; M71-F161 HydrophobicContact CG-CD2 3.84Å; M71-F161 HydrophobicContact CG-CG 3.89Å; M71-F161 HydrophobicContact SD-CB 4.18Å; M71-F161 HydrophobicContact SD-CD2 4.03Å; M71-F161 HydrophobicContact SD-CG 4.41Å
72E89.8Confident89.4Confident54 Ų5431.7 Ų31.725%0.25217%0.168SC..Hα-helixtrans-60.6-31.6176.4-78.6172.9156.200113.1I68 S70 L82 S332I68-E72 HydrophobicContact CG2-CG 4.26Å; I68-E72 WeakPolarHBondContact O-CG 3.19Å; I68-E72 PolarHBondContact O-N 3.4Å; S70-E72 VanDerWaalsContact C-N 3.33Å; S70-E72 PolarHBondContact O-N 2.97Å; E72-L82 HydrophobicContact CG-CD2 4.05Å; E72-S332 VanDerWaalsContact OE1-CB 3.24Å; E72-S332 WeakPolarHBondContact OE1-CB 3.34Å; E72-S332 PolarHBondContact OE1-OG 2.79Å
73C86.1Confident90Very high56 Ų5627.2 Ų27.238%0.37815%0.146SC..THydrogen-bonded Turntrans-94.1-4179.7-58.60000113.6S70 M71 Y132S70-C73 PolarHBondContact O-N 3.28Å; M71-C73 PolarHBondContact O-N 3.28Å; C73-Y132 PolarHBondContact O-OH 2.78Å
74L89.2Confident90.7Very high4 Ų425.3 Ų25.32%0.02114%0.136CC..  trans-94.7109.9-175.1-69.6173.3000111.3S70 M71 V79 Y132 M133 L136 I138 F161S70-L74 VanDerWaalsContact O-CG 3.29Å; S70-L74 WeakPolarHBondContact O-CG 3.48Å; M71-L74 PolarHBondContact O-N 3.39Å; L74-V79 HydrophobicContact CB-CG1 4.12Å; L74-V79 HydrophobicContact CD1-CG1 4.23Å; L74-Y132 HydrophobicContact CD2-CD1 4.06Å; L74-Y132 HydrophobicContact CD2-CE1 3.63Å; L74-M133 HydrophobicContact CD2-CG 3.82Å; L74-L136 HydrophobicContact CD2-CD1 4.08Å; L74-I138 HydrophobicContact CD1-CD1 4.49Å; L74-I138 HydrophobicContact CD2-CD1 3.8Å; L74-I138 HydrophobicContact CG-CD1 4.02Å; L74-F161 HydrophobicContact CD1-CD1 3.83Å; L74-F161 HydrophobicContact CD1-CE1 3.32Å; L74-F161 HydrophobicContact CD1-CE2 4.43Å; L74-F161 HydrophobicContact CD1-CZ 3.7Å
75Q87.4Confident91.2Very high85 Ų8524.9 Ų24.940%0.39713%0.134SC..  trans-13193.5174.9-61.6-174.88.400109.3Y132Q75-Y132 PolarHBondContact N-OH 3.42Å; Q75-Y132 PolarHBondContact O-OH 3.12Å; Q75-Y132 VanDerWaalsContact O-OH 3.11Å
76H88.1Confident91.6Very high1 Ų122.3 Ų22.31%0.00512%0.115CC..  trans-145.8142.6-178.8-175.7-90.2000110.2N78 V79 S128 Y132H76-N78 PolarHBondContact ND1-N 3Å; H76-N78 PolarHBondContact O-N 2.87Å; H76-V79 HydrophobicContact CB-CB 4.05Å; H76-V79 HydrophobicContact CB-CG2 3.9Å; H76-V79 PolarHBondContact O-N 3.39Å; H76-V79 VanDerWaalsContact O-N 3.12Å; H76-S128 PolarHBondContact CE1-OG 2.98Å; H76-S128 PolarHBondContact NE2-OG 3.35Å; H76-Y132 HydrophobicContact CB-CD1 3.63Å; H76-Y132 HydrophobicContact CB-CD2 4.49Å; H76-Y132 HydrophobicContact CB-CE1 3.78Å; H76-Y132 HydrophobicContact CB-CG 4.01Å; H76-Y132 AromaticContact CD2-CD2 3.98Å; H76-Y132 AromaticContact CD2-CG 3.69Å
77P89.5Confident91.9Very high13 Ų1321.3 Ų21.38%0.08411%0.114CC..THydrogen-bonded Turntrans-59.7-28.6-178.923.3-35.9000113.3K157 C353 D354P77-K157 VanDerWaalsContact O-CD 3.27Å; P77-K157 WeakPolarHBondContact O-CD 3.32Å; P77-K157 WeakPolarHBondContact O-CE 3.45Å; P77-K157 PolarHBondContact O-NZ 2.85Å; P77-C353 WeakPolarHBondContact CB-O 3.45Å; P77-D354 VanDerWaalsContact CA-OD1 3.3Å; P77-D354 WeakPolarHBondContact CA-OD1 3.31Å; P77-D354 WeakPolarHBondContact CB-OD1 3.43Å
78N93.6Very high91.9Very high3 Ų323.1 Ų23.12%0.01613%0.126CC..THydrogen-bonded Turntrans-101.619177.9-53.1116.9000115.3H76 Q125 A129 V156 V158H76-N78 PolarHBondContact ND1-N 3Å; H76-N78 PolarHBondContact O-N 2.87Å; N78-Q125 HydrophobicContact CB-CB 4.29Å; N78-Q125 WeakPolarHBondContact CB-O 3.49Å; N78-Q125 PolarHBondContact ND2-NE2 3.37Å; N78-A129 HydrophobicContact CB-CB 4.02Å; N78-V156 VanDerWaalsContact CA-O 3.27Å; N78-V156 WeakPolarHBondContact CA-O 3.49Å; N78-V156 WeakPolarHBondContact CB-O 3.09Å; N78-V156 PolarHBondContact ND2-O 2.77Å; N78-V158 PolarHBondContact O-N 2.66Å
79V94.8Very high91.6Very high0 Ų029.2 Ų29.20%017%0.166CC..BIsolated β-bridgetrans-123.1136.1174.2173.60000109.5L74 H76 R81 A129 F161L74-V79 HydrophobicContact CB-CG1 4.12Å; L74-V79 HydrophobicContact CD1-CG1 4.23Å; H76-V79 HydrophobicContact CB-CB 4.05Å; H76-V79 HydrophobicContact CB-CG2 3.9Å; H76-V79 PolarHBondContact O-N 3.39Å; H76-V79 VanDerWaalsContact O-N 3.12Å; V79-R81 PolarHBondContact O-N 3.35Å; V79-A129 HydrophobicContact CG2-CB 3.69Å; V79-F161 HydrophobicContact CG1-CE2 3.91Å; V79-F161 HydrophobicContact CG1-CZ 3.5Å
80V95.4Very high91.4Very high7 Ų729 Ų294%0.04217%0.165CC..PPolyproline II helixtrans-61125.5173.6169.60000110.1L96 E97 L149 K157 V158 A159V80-L96 HydrophobicContact CG1-CB 3.95Å; V80-L96 HydrophobicContact CG1-CD1 4.41Å; V80-E97 HydrophobicContact CG1-CB 4.2Å; V80-L149 HydrophobicContact CG2-CD1 4.44Å; V80-K157 HydrophobicContact CG2-CB 3.77Å; V80-V158 PolarHBondContact N-O 3.4Å; V80-A159 HydrophobicContact CB-CB 4.36Å; V80-A159 HydrophobicContact CG2-CB 3.6Å
81R94Very high91.5Very high20 Ų2034.6 Ų34.68%0.07519%0.186CC..PPolyproline II helixtrans-84.6144-179.8-62-177.3178.7-164.92.4112.7V79 Y83 L96 E97 H345V79-R81 PolarHBondContact O-N 3.35Å; R81-Y83 HydrophobicContact CB-CE1 3.98Å; R81-L96 CarbonylContact O-C 3.51Å; R81-L96 VanDerWaalsContact O-CA 3.32Å; R81-L96 WeakPolarHBondContact O-CA 3.5Å; R81-E97 HydrophobicContact CB-CB 4.35Å; R81-E97 PolarHBondContact O-N 3.22Å; R81-H345 PolarHBondContact NE-CD2 2.97Å; R81-H345 VanDerWaalsContact NH1-CB 3.34Å; R81-H345 PolarHBondContact NH1-CD2 3.24Å; R81-H345 VanDerWaalsContact NH1-CD2 3.25Å
82L95.8Very high91.6Very high6 Ų634.6 Ų34.63%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-93.2116.5166.7174.766.8000110.1I68 M71 E72 V85 L94 L96 R341I68-L82 HydrophobicContact CG2-CD2 4.35Å; M71-L82 HydrophobicContact CB-CB 3.88Å; M71-L82 HydrophobicContact CB-CD2 3.94Å; M71-L82 HydrophobicContact CE-CB 4.19Å; E72-L82 HydrophobicContact CG-CD2 4.05Å; L82-V85 HydrophobicContact CD1-CG2 4.07Å; L82-V85 HydrophobicContact CD2-CG2 4.01Å; L82-V85 HydrophobicContact CG-CG2 4.49Å; L82-L94 HydrophobicContact CD1-CB 4.15Å; L82-L96 HydrophobicContact CB-CD2 4.2Å; L82-L96 HydrophobicContact CD1-CD2 3.7Å; L82-R341 PolarHBondContact O-NH1 3.09Å; L82-R341 VanDerWaalsContact O-NH1 3.14Å
83Y95.5Very high91.8Very high10 Ų1032.6 Ų32.64%0.03918%0.176CC..EExtended strand (participates in β ladder)trans-86.4-50.6175.8-57.2-43.9000112V46 R81 V95 E97 G338 R341 I342 H345V46-Y83 HydrophobicContact CG1-CD2 4Å; V46-Y83 HydrophobicContact CG1-CE2 4.08Å; R81-Y83 HydrophobicContact CB-CE1 3.98Å; Y83-V95 HydrophobicContact CD2-CG1 4.23Å; Y83-V95 PolarHBondContact N-O 3.46Å; Y83-E97 HydrophobicContact CE2-CB 4.35Å; Y83-E97 WeakPolarHBondContact OH-CA 3.34Å; Y83-E97 WeakPolarHBondContact OH-CB 3.2Å; Y83-G338 WeakPolarHBondContact O-CA 3.41Å; Y83-R341 HydrophobicContact CD1-CB 3.99Å; Y83-R341 WeakPolarHBondContact O-CD 3.44Å; Y83-I342 HydrophobicContact CD1-CG1 3.93Å; Y83-I342 HydrophobicContact CD2-CD1 4.22Å; Y83-I342 HydrophobicContact CD2-CG1 3.57Å; Y83-I342 HydrophobicContact CE1-CG1 4.4Å; Y83-I342 HydrophobicContact CE2-CG1 4.05Å; Y83-I342 HydrophobicContact CG-CD1 4.36Å; Y83-I342 HydrophobicContact CG-CG1 3.52Å; Y83-H345 HydrophobicContact CE1-CB 4.12Å; Y83-H345 AromaticContact CE1-ND1 3.92Å; Y83-H345 AromaticContact CZ-ND1 3.67Å; Y83-H345 PolarHBondContact OH-CE1 3.24Å; Y83-H345 VanDerWaalsContact OH-CE1 3.22Å; Y83-H345 PolarHBondContact OH-ND1 2.9Å
84E95.9Very high92.3Very high7 Ų730 Ų303%0.03316%0.158CC..EExtended strand (participates in β ladder)trans-151.9150.5-172.6-171.2-178.5157.800110.9Y20 V86 V95 S332Y20-E84 VanDerWaalsContact CE2-OE2 3.23Å; Y20-E84 WeakPolarHBondContact CE2-OE2 3.39Å; Y20-E84 VanDerWaalsContact CZ-OE2 3.27Å; Y20-E84 PolarHBondContact OH-OE2 3.4Å; E84-V86 HydrophobicContact CG-CG2 4.11Å; E84-V86 WeakPolarHBondContact OE1-CG2 3.47Å; E84-V95 HydrophobicContact CB-CB 4.03Å; E84-V95 HydrophobicContact CB-CG2 3.93Å; E84-V95 PolarHBondContact N-O 2.83Å; E84-V95 WeakPolarHBondContact O-CB 3.2Å; E84-V95 WeakPolarHBondContact O-CG2 3.36Å; E84-V95 PolarHBondContact O-N 2.76Å; E84-S332 CarbonylContact C-O 3.52Å; E84-S332 VanDerWaalsContact CA-O 3.24Å; E84-S332 WeakPolarHBondContact CA-O 3.33Å; E84-S332 WeakPolarHBondContact CG-O 3.09Å
85V95.9Very high92.7Very high2 Ų229.8 Ų29.81%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-112.3111169-1800000108.3I68 L82 E87 L92 F93 L94 S332 R333I68-V85 HydrophobicContact CD1-CG1 4.25Å; I68-V85 HydrophobicContact CD1-CG2 4.44Å; I68-V85 HydrophobicContact CG1-CG2 4.38Å; I68-V85 HydrophobicContact CG2-CG2 4Å; L82-V85 HydrophobicContact CD1-CG2 4.07Å; L82-V85 HydrophobicContact CD2-CG2 4.01Å; L82-V85 HydrophobicContact CG-CG2 4.49Å; V85-E87 HydrophobicContact CG1-CG 4.22Å; V85-L92 HydrophobicContact CG1-CD1 3.91Å; V85-L92 HydrophobicContact CG1-CG 4.3Å; V85-F93 WeakPolarHBondContact CA-O 3.39Å; V85-L94 HydrophobicContact CG1-CD2 4.13Å; V85-L94 HydrophobicContact CG2-CD2 3.93Å; V85-S332 PolarHBondContact N-O 3.48Å; V85-R333 HydrophobicContact CB-CG 4.07Å; V85-R333 HydrophobicContact CG1-CG 4.36Å
86V95Very high93.1Very high21 Ų2126.6 Ų26.613%0.12714%0.143CC..EExtended strand (participates in β ladder)trans-98.8125175.5-173.40000109.1V17 Y20 E84 F93 V95V17-V86 HydrophobicContact CG1-CB 4.25Å; V17-V86 HydrophobicContact CG1-CG1 3.85Å; Y20-V86 HydrophobicContact CD2-CG2 4.43Å; Y20-V86 HydrophobicContact CE2-CG2 4.16Å; E84-V86 HydrophobicContact CG-CG2 4.11Å; E84-V86 WeakPolarHBondContact OE1-CG2 3.47Å; V86-F93 HydrophobicContact CB-CB 4.13Å; V86-F93 HydrophobicContact CB-CD2 4.5Å; V86-F93 PolarHBondContact N-O 3.49Å; V86-F93 WeakPolarHBondContact O-CD2 2.74Å; V86-F93 PolarHBondContact O-N 3.4Å; V86-V95 HydrophobicContact CG2-CG2 4.18Å
87E91.3Very high93.5Very high76 Ų7626.8 Ų26.836%0.35514%0.144SC..EExtended strand (participates in β ladder)trans-109138178.8-46.2-149.4168.200111.5R53 V85 L92 R333R53-E87 IonicContact CZ-OE2 3.54Å; R53-E87 IonicContact NH1-OE2 3.88Å; R53-E87 PolarHBondContact NH1-OE2 3.16Å; R53-E87 IonicContact NH2-OE2 2.97Å; V85-E87 HydrophobicContact CG1-CG 4.22Å; E87-L92 HydrophobicContact CB-CD1 4.03Å; E87-L92 VanDerWaalsContact CD-CD1 3.48Å; E87-L92 HydrophobicContact CG-CD1 3.41Å; E87-L92 VanDerWaalsContact CG-CD1 3.41Å; E87-L92 WeakPolarHBondContact OE1-CD1 3.23Å; E87-R333 IonicContact OE1-CZ 3.49Å; E87-R333 VanDerWaalsContact OE1-CZ 3.24Å; E87-R333 IonicContact OE1-NE 3.55Å; E87-R333 PolarHBondContact OE1-NE 2.98Å; E87-R333 IonicContact OE1-NH2 3Å; E87-R333 PolarHBondContact OE1-NH2 3.02Å
88T88.9Confident93.8Very high47 Ų4729 Ų2929%0.28815%0.151SC..  trans-127.8165.8167.465.50000108.6R53 S90 R91 F93R53-T88 WeakPolarHBondContact CD-O 3.35Å; T88-S90 PolarHBondContact O-N 3.28Å; T88-S90 VanDerWaalsContact O-N 3.16Å; T88-R91 PolarHBondContact N-O 2.81Å; T88-R91 PolarHBondContact O-N 2.91Å; T88-R91 VanDerWaalsContact O-O 3.09Å; T88-R91 WeakPolarHBondContact OG1-CA 3.49Å; T88-R91 WeakPolarHBondContact OG1-CB 3.32Å; T88-R91 PolarHBondContact OG1-N 3.06Å; T88-R91 PolarHBondContact OG1-O 3.04Å; T88-F93 HydrophobicContact CG2-CD2 4.48Å; T88-F93 HydrophobicContact CG2-CE2 3.83Å
89P86.3Confident93.9Very high133 Ų13329.6 Ų29.686%0.86416%0.156SC*.SBendtrans-55.5-34.5179.6-2936.6000114.2
90S87.1Confident93.9Very high56 Ų5631.1 Ų31.139%0.39217%0.172SC..SBendtrans-105.6-17.8-176.757.50000114.5R53 T88R53-S90 PolarHBondContact N-O 3.3Å; T88-S90 PolarHBondContact O-N 3.28Å; T88-S90 VanDerWaalsContact O-N 3.16Å
91R90.8Very high93.8Very high120 Ų12032 Ų3245%0.45318%0.182SC..EExtended strand (participates in β ladder)trans-140.1148.7-172.3-61.7-177.2-176.5-154.9-0112.9L51 T88 F93L51-R91 CarbonylContact O-C 3.56Å; L51-R91 VanDerWaalsContact O-CA 3.26Å; L51-R91 WeakPolarHBondContact O-CA 3.41Å; T88-R91 PolarHBondContact N-O 2.81Å; T88-R91 PolarHBondContact O-N 2.91Å; T88-R91 VanDerWaalsContact O-O 3.09Å; T88-R91 WeakPolarHBondContact OG1-CA 3.49Å; T88-R91 WeakPolarHBondContact OG1-CB 3.32Å; T88-R91 PolarHBondContact OG1-N 3.06Å; T88-R91 PolarHBondContact OG1-O 3.04Å; R91-F93 HydrophobicContact CB-CD2 4.31Å; R91-F93 HydrophobicContact CB-CE2 3.52Å; R91-F93 HydrophobicContact CB-CZ 3.75Å; R91-F93 HydrophobicContact CG-CZ 4.45Å
92L92.4Very high93.8Very high6 Ų632.8 Ų32.83%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-111.8138.4168.8-16374.8000109.4L51 R53 L64 I68 V85 E87 L94L51-L92 HydrophobicContact CB-CB 4.39Å; L51-L92 PolarHBondContact N-O 2.9Å; L51-L92 PolarHBondContact O-N 3.12Å; R53-L92 HydrophobicContact CG-CB 4.24Å; L64-L92 HydrophobicContact CD1-CD2 4.02Å; L64-L92 HydrophobicContact CD2-CD2 3.36Å; L64-L92 HydrophobicContact CG-CD2 3.72Å; I68-L92 HydrophobicContact CD1-CD2 3.87Å; V85-L92 HydrophobicContact CG1-CD1 3.91Å; V85-L92 HydrophobicContact CG1-CG 4.3Å; E87-L92 HydrophobicContact CB-CD1 4.03Å; E87-L92 VanDerWaalsContact CD-CD1 3.48Å; E87-L92 HydrophobicContact CG-CD1 3.41Å; E87-L92 VanDerWaalsContact CG-CD1 3.41Å; E87-L92 WeakPolarHBondContact OE1-CD1 3.23Å; L92-L94 HydrophobicContact CD2-CD2 4.25Å
93F94.8Very high93.9Very high12 Ų1233.9 Ų33.95%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-125.8117.8179.7-56-100.7000109.1V17 K49 I50 V85 V86 T88 R91V17-F93 HydrophobicContact CB-CE1 4.45Å; V17-F93 HydrophobicContact CG1-CB 4.47Å; V17-F93 HydrophobicContact CG1-CD1 3.97Å; V17-F93 HydrophobicContact CG1-CD2 3.82Å; V17-F93 HydrophobicContact CG1-CE1 4.12Å; V17-F93 HydrophobicContact CG1-CE2 3.96Å; V17-F93 HydrophobicContact CG1-CG 3.84Å; V17-F93 HydrophobicContact CG1-CZ 4.11Å; V17-F93 HydrophobicContact CG2-CD1 4.06Å; V17-F93 HydrophobicContact CG2-CE1 3.59Å; V17-F93 HydrophobicContact CG2-CZ 3.85Å; K49-F93 WeakPolarHBondContact O-CA 3.27Å; I50-F93 HydrophobicContact CB-CD1 4.27Å; I50-F93 HydrophobicContact CB-CE1 4.33Å; I50-F93 HydrophobicContact CD1-CD1 4.32Å; I50-F93 HydrophobicContact CD1-CE1 4.07Å; I50-F93 HydrophobicContact CG1-CD1 3.78Å; I50-F93 HydrophobicContact CG1-CE1 3.96Å; I50-F93 HydrophobicContact CG2-CD1 3.95Å; I50-F93 HydrophobicContact CG2-CE1 3.62Å; I50-F93 HydrophobicContact CG2-CZ 4.24Å; V85-F93 WeakPolarHBondContact CA-O 3.39Å; V86-F93 HydrophobicContact CB-CB 4.13Å; V86-F93 HydrophobicContact CB-CD2 4.5Å; V86-F93 PolarHBondContact N-O 3.49Å; V86-F93 WeakPolarHBondContact O-CD2 2.74Å; V86-F93 PolarHBondContact O-N 3.4Å; T88-F93 HydrophobicContact CG2-CD2 4.48Å; T88-F93 HydrophobicContact CG2-CE2 3.83Å; R91-F93 HydrophobicContact CB-CD2 4.31Å; R91-F93 HydrophobicContact CB-CE2 3.52Å; R91-F93 HydrophobicContact CB-CZ 3.75Å; R91-F93 HydrophobicContact CG-CZ 4.45Å
94L95.9Very high94Very high0 Ų033.4 Ų33.40%020%0.2CC..EExtended strand (participates in β ladder)trans-92.7119.8168.2-46.8-177000108L48 K49 L51 L64 I68 L82 V85 L92 L96L48-L94 WeakPolarHBondContact CA-O 3.39Å; K49-L94 HydrophobicContact CB-CB 4.23Å; K49-L94 HydrophobicContact CD-CD1 4.37Å; K49-L94 PolarHBondContact N-O 2.97Å; K49-L94 PolarHBondContact O-N 3.34Å; L51-L94 HydrophobicContact CD1-CD1 4.42Å; L51-L94 HydrophobicContact CD1-CG 4.17Å; L64-L94 HydrophobicContact CD1-CD1 4.44Å; I68-L94 HydrophobicContact CD1-CD2 3.97Å; I68-L94 HydrophobicContact CG1-CD2 3.77Å; L82-L94 HydrophobicContact CD1-CB 4.15Å; V85-L94 HydrophobicContact CG1-CD2 4.13Å; V85-L94 HydrophobicContact CG2-CD2 3.93Å; L92-L94 HydrophobicContact CD2-CD2 4.25Å; L94-L96 HydrophobicContact CB-CD2 4.04Å; L94-L96 HydrophobicContact CB-CG 4.21Å
95V97.6Very high94Very high0 Ų035.8 Ų35.80%021%0.211CC..EExtended strand (participates in β ladder)trans-90.6109.4176.3-172.60000108.1Y20 V46 L48 Y83 E84 V86Y20-V95 HydrophobicContact CD1-CG1 4.05Å; Y20-V95 HydrophobicContact CD2-CG2 4.08Å; Y20-V95 HydrophobicContact CE1-CB 4.42Å; Y20-V95 HydrophobicContact CE1-CG1 3.38Å; Y20-V95 HydrophobicContact CE1-CG2 4.24Å; Y20-V95 HydrophobicContact CE2-CG1 4.31Å; Y20-V95 HydrophobicContact CE2-CG2 3.64Å; V46-V95 HydrophobicContact CB-CG1 3.89Å; V46-V95 HydrophobicContact CG1-CG1 4.06Å; V46-V95 HydrophobicContact CG2-CG1 3.91Å; L48-V95 HydrophobicContact CD2-CB 4.18Å; L48-V95 HydrophobicContact CD2-CG1 4.1Å; L48-V95 HydrophobicContact CD2-CG2 3.7Å; Y83-V95 HydrophobicContact CD2-CG1 4.23Å; Y83-V95 PolarHBondContact N-O 3.46Å; E84-V95 HydrophobicContact CB-CB 4.03Å; E84-V95 HydrophobicContact CB-CG2 3.93Å; E84-V95 PolarHBondContact N-O 2.83Å; E84-V95 WeakPolarHBondContact O-CB 3.2Å; E84-V95 WeakPolarHBondContact O-CG2 3.36Å; E84-V95 PolarHBondContact O-N 2.76Å; V86-V95 HydrophobicContact CG2-CG2 4.18Å
96L97.1Very high94.1Very high18 Ų1840.1 Ų40.19%0.09424%0.235CC..EExtended strand (participates in β ladder)trans-115.8159.6-170.1-55.7-178.6000112.1A47 K49 M71 V80 R81 L82 L94 Y98A47-L96 HydrophobicContact CB-CB 4.32Å; A47-L96 PolarHBondContact N-O 2.97Å; A47-L96 PolarHBondContact O-N 3.12Å; K49-L96 HydrophobicContact CB-CD1 4.1Å; M71-L96 HydrophobicContact CE-CD1 4.42Å; M71-L96 HydrophobicContact CE-CD2 3.41Å; M71-L96 VanDerWaalsContact CE-CD2 3.41Å; M71-L96 HydrophobicContact SD-CD2 4.3Å; V80-L96 HydrophobicContact CG1-CB 3.95Å; V80-L96 HydrophobicContact CG1-CD1 4.41Å; R81-L96 CarbonylContact O-C 3.51Å; R81-L96 VanDerWaalsContact O-CA 3.32Å; R81-L96 WeakPolarHBondContact O-CA 3.5Å; L82-L96 HydrophobicContact CB-CD2 4.2Å; L82-L96 HydrophobicContact CD1-CD2 3.7Å; L94-L96 HydrophobicContact CB-CD2 4.04Å; L94-L96 HydrophobicContact CB-CG 4.21Å; L96-Y98 PolarHBondContact O-N 2.82Å
97E96.3Very high94.1Very high5 Ų542.6 Ų42.62%0.02324%0.242CC..EExtended strand (participates in β ladder)trans-52.2133.8164.7179.2176.9-175.100111.1V80 R81 Y83 K157 H345 K349V80-E97 HydrophobicContact CG1-CB 4.2Å; R81-E97 HydrophobicContact CB-CB 4.35Å; R81-E97 PolarHBondContact O-N 3.22Å; Y83-E97 HydrophobicContact CE2-CB 4.35Å; Y83-E97 WeakPolarHBondContact OH-CA 3.34Å; Y83-E97 WeakPolarHBondContact OH-CB 3.2Å; E97-K157 WeakPolarHBondContact OE1-CE 3Å; E97-K157 IonicContact OE1-NZ 2.67Å; E97-K157 PolarHBondContact OE1-NZ 3.31Å; E97-K157 WeakPolarHBondContact OE2-CE 3.43Å; E97-K157 IonicContact OE2-NZ 2.73Å; E97-K157 PolarHBondContact OE2-NZ 2.9Å; E97-H345 IonicContact OE1-CE1 2.75Å; E97-H345 PolarHBondContact OE1-CE1 3.12Å; E97-H345 VanDerWaalsContact OE1-CE1 3.23Å; E97-H345 IonicContact OE1-NE2 3.71Å; E97-H345 IonicContact OE2-CE1 3.72Å; E97-H345 IonicContact OE2-NE2 3.89Å; E97-K349 WeakPolarHBondContact OE1-CE 3.46Å; E97-K349 IonicContact OE1-NZ 2.92Å; E97-K349 PolarHBondContact OE1-NZ 3.37Å
98Y96.3Very high94.4Very high60 Ų6039.2 Ų39.224%0.23523%0.226CC..  trans-90.1119.2173.1177.2-109.7000111.6I26 L36 K45 A47 L96 G100I26-Y98 HydrophobicContact CD1-CD2 3.92Å; I26-Y98 HydrophobicContact CD1-CE2 3.79Å; L36-Y98 HydrophobicContact CD1-CD1 4.36Å; L36-Y98 HydrophobicContact CD1-CD2 3.91Å; L36-Y98 HydrophobicContact CD1-CE1 4.37Å; L36-Y98 HydrophobicContact CD1-CE2 3.95Å; L36-Y98 HydrophobicContact CD1-CG 4.12Å; K45-Y98 HydrophobicContact CB-CD1 3.92Å; K45-Y98 HydrophobicContact CB-CG 4.29Å; K45-Y98 HydrophobicContact CD-CD1 4.01Å; K45-Y98 HydrophobicContact CD-CE1 4.04Å; A47-Y98 HydrophobicContact CB-CD2 4.49Å; L96-Y98 PolarHBondContact O-N 2.82Å; Y98-G100 VanDerWaalsContact CZ-CA 3.49Å; Y98-G100 WeakPolarHBondContact OH-CA 3.43Å
99A95Very high94.8Very high15 Ų1540.8 Ų40.812%0.12424%0.238CC..  trans-105.9101.5171.900000109.9L149 F150 K157A99-L149 HydrophobicContact CB-CB 3.73Å; A99-L149 HydrophobicContact CB-CD1 4.09Å; A99-F150 CarbonylContact C-O 3.55Å; A99-F150 WeakPolarHBondContact CB-O 3.38Å; A99-K157 HydrophobicContact CB-CB 4.47Å; A99-K157 HydrophobicContact CB-CG 4.38Å
100G93.7Very high95.2Very high32 Ų3238.8 Ų38.833%0.3323%0.227SC..THydrogen-bonded Turntrans-88.1-0-17000000116.7Y98Y98-G100 VanDerWaalsContact CZ-CA 3.49Å; Y98-G100 WeakPolarHBondContact OH-CA 3.43Å
101G94.2Very high95.6Very high25 Ų2543 Ų4326%0.25824%0.241SC..THydrogen-bonded Turntrans-87.64.3-175.200000115.2F150G101-F150 WeakPolarHBondContact CA-O 3.34Å; G101-F150 PolarHBondContact N-O 3.33Å
102G95.2Very high95.9Very high37 Ų3738.9 Ų38.938%0.38124%0.235SC..  trans80.5-176.5-175.400000113.1L149 F150G102-L149 CarbonylContact O-C 3.59Å; G102-F150 PolarHBondContact O-N 3.4Å
103D96.3Very high96Very high29 Ų2943.3 Ų43.316%0.15526%0.255CS..BIsolated β-bridgetrans-103.7159.8178.761.788.2000113H105 N106 R107 V148 L149D103-H105 VanDerWaalsContact C-N 3.3Å; D103-H105 PolarHBondContact O-N 2.9Å; D103-H105 VanDerWaalsContact OD1-CB 3.29Å; D103-H105 WeakPolarHBondContact OD1-CB 3.41Å; D103-H105 PolarHBondContact OD1-N 3.5Å; D103-N106 PolarHBondContact O-N 3.5Å; D103-N106 WeakPolarHBondContact OD1-CB 3.3Å; D103-N106 PolarHBondContact OD1-N 3.19Å; D103-N106 PolarHBondContact OD1-ND2 3.06Å; D103-N106 PolarHBondContact OD2-ND2 3.44Å; D103-R107 PolarHBondContact O-N 3.21Å; D103-R107 VanDerWaalsContact O-N 3.11Å; D103-V148 CarbonylContact C-O 3.52Å; D103-V148 WeakPolarHBondContact CA-O 3.26Å; D103-L149 HydrophobicContact CB-CD2 3.74Å
104L97.5Very high96.1Very high0 Ų043.5 Ų43.50%026%0.256CS..Hα-helixtrans-63.1-34.8-179.3177.465.2000112.7R107 I108 L114 A145 V148 F150 L207 M211L104-R107 PolarHBondContact O-N 2.88Å; L104-I108 HydrophobicContact CD1-CD1 3.72Å; L104-I108 HydrophobicContact CD1-CG1 4.09Å; L104-I108 HydrophobicContact CG-CD1 3.88Å; L104-I108 WeakPolarHBondContact O-CG1 3.19Å; L104-I108 PolarHBondContact O-N 3.38Å; L104-L114 HydrophobicContact CD1-CD1 3.75Å; L104-L114 HydrophobicContact CD1-CG 4.5Å; L104-A145 HydrophobicContact CB-CB 4.26Å; L104-A145 WeakPolarHBondContact CB-O 3.2Å; L104-A145 HydrophobicContact CD2-CB 4.25Å; L104-A145 HydrophobicContact CG-CB 4.18Å; L104-A145 PolarHBondContact N-O 2.98Å; L104-V148 HydrophobicContact CB-CB 3.88Å; L104-V148 HydrophobicContact CB-CG1 3.98Å; L104-V148 HydrophobicContact CD2-CB 4.11Å; L104-V148 HydrophobicContact CD2-CG1 4.02Å; L104-V148 HydrophobicContact CD2-CG2 4.45Å; L104-V148 PolarHBondContact N-O 2.75Å; L104-F150 HydrophobicContact CB-CE2 4.12Å; L104-F150 HydrophobicContact CD1-CE2 4.14Å; L104-F150 HydrophobicContact CD1-CZ 4.01Å; L104-L207 HydrophobicContact CD2-CD2 4.18Å; L104-M211 HydrophobicContact CD1-CG 4.19Å; L104-M211 HydrophobicContact CD1-SD 4.41Å; L104-M211 HydrophobicContact CD2-CG 3.89Å; L104-M211 HydrophobicContact CD2-SD 3.93Å
105H97.1Very high96.1Very high57 Ų5746.4 Ų46.426%0.26428%0.275SS..Hα-helixtrans-61.2-55.6178.3-179.497.9000110.6D103 R107 I108 C109 A145 E146D103-H105 VanDerWaalsContact C-N 3.3Å; D103-H105 PolarHBondContact O-N 2.9Å; D103-H105 VanDerWaalsContact OD1-CB 3.29Å; D103-H105 WeakPolarHBondContact OD1-CB 3.41Å; D103-H105 PolarHBondContact OD1-N 3.5Å; H105-R107 VanDerWaalsContact C-N 3.29Å; H105-R107 PolarHBondContact O-N 2.95Å; H105-I108 PolarHBondContact O-N 2.95Å; H105-C109 PolarHBondContact NE2-SG 2.75Å; H105-C109 WeakPolarHBondContact O-CB 3.28Å; H105-C109 PolarHBondContact O-N 3.14Å; H105-C109 PolarHBondContact O-SG 3Å; H105-C109 VanDerWaalsContact O-SG 3.38Å; H105-A145 HydrophobicContact CB-CB 3.77Å; H105-A145 PolarHBondContact N-O 2.85Å; H105-E146 HydrophobicContact CB-CG 3.91Å; H105-E146 IonicContact CE1-OE1 3.59Å; H105-E146 IonicContact CG-OE1 3.23Å; H105-E146 IonicContact ND1-OE1 3.75Å; H105-E146 PolarHBondContact ND1-OE1 2.82Å; H105-E146 VanDerWaalsContact ND1-OE1 3.14Å
106N96.4Very high95.7Very high94 Ų9449 Ų4950%0.50329%0.289SS..Hα-helixtrans-61.7-37.5-179.8-78.5-33.9000112.1D103 S110D103-N106 PolarHBondContact O-N 3.5Å; D103-N106 WeakPolarHBondContact OD1-CB 3.3Å; D103-N106 PolarHBondContact OD1-N 3.19Å; D103-N106 PolarHBondContact OD1-ND2 3.06Å; D103-N106 PolarHBondContact OD2-ND2 3.44Å; N106-S110 VanDerWaalsContact O-CB 3.32Å; N106-S110 WeakPolarHBondContact O-CB 3.45Å; N106-S110 PolarHBondContact O-N 3.34Å; N106-S110 PolarHBondContact O-OG 3.22Å
107R96.8Very high95.4Very high72 Ų7251 Ų5127%0.27230%0.3SS..Hα-helixtrans-60.5-49.4174.1178.6162.3-76.7165.73.3111.8D103 L104 H105 S110 E111 L114D103-R107 PolarHBondContact O-N 3.21Å; D103-R107 VanDerWaalsContact O-N 3.11Å; L104-R107 PolarHBondContact O-N 2.88Å; H105-R107 VanDerWaalsContact C-N 3.29Å; H105-R107 PolarHBondContact O-N 2.95Å; R107-S110 PolarHBondContact O-N 2.73Å; R107-S110 PolarHBondContact O-OG 2.68Å; R107-E111 IonicContact NE-OE1 3.71Å; R107-E111 WeakPolarHBondContact O-CB 3.32Å; R107-E111 PolarHBondContact O-N 2.97Å; R107-L114 HydrophobicContact CG-CD2 4.18Å
108I97.6Very high95.2Very high5 Ų553.4 Ų53.43%0.02632%0.315CS..Hα-helixtrans-67.8-40.7-179.6-67.6168.5000111.6L104 H105 S110 G112 L114 F210 M211L104-I108 HydrophobicContact CD1-CD1 3.72Å; L104-I108 HydrophobicContact CD1-CG1 4.09Å; L104-I108 HydrophobicContact CG-CD1 3.88Å; L104-I108 WeakPolarHBondContact O-CG1 3.19Å; L104-I108 PolarHBondContact O-N 3.38Å; H105-I108 PolarHBondContact O-N 2.95Å; I108-S110 VanDerWaalsContact C-N 3.3Å; I108-S110 PolarHBondContact O-N 3.23Å; I108-G112 WeakPolarHBondContact CA-O 2.89Å; I108-G112 CarbonylContact O-C 3.58Å; I108-G112 WeakPolarHBondContact O-CA 3.33Å; I108-G112 PolarHBondContact O-N 3.07Å; I108-L114 HydrophobicContact CG1-CD2 4.46Å; I108-L114 HydrophobicContact CG1-CG 4.27Å; I108-F210 HydrophobicContact CB-CE1 4.01Å; I108-F210 HydrophobicContact CB-CE2 4.49Å; I108-F210 HydrophobicContact CB-CZ 3.86Å; I108-F210 HydrophobicContact CD1-CD1 3.6Å; I108-F210 HydrophobicContact CD1-CE1 3.62Å; I108-F210 HydrophobicContact CD1-CG 4.2Å; I108-F210 HydrophobicContact CD1-CZ 4.22Å; I108-F210 HydrophobicContact CG1-CE1 4.41Å; I108-F210 HydrophobicContact CG2-CD2 4.31Å; I108-F210 HydrophobicContact CG2-CE1 4.05Å; I108-F210 HydrophobicContact CG2-CE2 3.67Å; I108-F210 HydrophobicContact CG2-CZ 3.52Å; I108-M211 HydrophobicContact CD1-CB 4.49Å; I108-M211 HydrophobicContact CD1-CG 4.07Å
109C96.3Very high95.2Very high81 Ų8150.5 Ų50.555%0.54730%0.304SS..Hα-helixtrans-66.7-30.7-179.9-73.40000113H105H105-C109 PolarHBondContact NE2-SG 2.75Å; H105-C109 WeakPolarHBondContact O-CB 3.28Å; H105-C109 PolarHBondContact O-N 3.14Å; H105-C109 PolarHBondContact O-SG 3Å; H105-C109 VanDerWaalsContact O-SG 3.38Å
110S95.6Very high95.1Very high90 Ų9051 Ų5163%0.62930%0.303SS*.Hα-helixtrans-92.3-38.1-179.658.70000113.9N106 R107 I108N106-S110 VanDerWaalsContact O-CB 3.32Å; N106-S110 WeakPolarHBondContact O-CB 3.45Å; N106-S110 PolarHBondContact O-N 3.34Å; N106-S110 PolarHBondContact O-OG 3.22Å; R107-S110 PolarHBondContact O-N 2.73Å; R107-S110 PolarHBondContact O-OG 2.68Å; I108-S110 VanDerWaalsContact C-N 3.3Å; I108-S110 PolarHBondContact O-N 3.23Å
111E95.3Very high94.9Very high145 Ų14551.1 Ų51.168%0.67830%0.296SS*.Hα-helixtrans-105.1-11.6-173.9-59.1177.2-148.300113.2R107R107-E111 IonicContact NE-OE1 3.71Å; R107-E111 WeakPolarHBondContact O-CB 3.32Å; R107-E111 PolarHBondContact O-N 2.97Å
112G96.1Very high95Very high33 Ų3350.1 Ų50.134%0.3429%0.285SS..  trans86.8-169.3-172.200000113I108I108-G112 WeakPolarHBondContact CA-O 2.89Å; I108-G112 CarbonylContact O-C 3.58Å; I108-G112 WeakPolarHBondContact O-CA 3.33Å; I108-G112 PolarHBondContact O-N 3.07Å
113K96Very high95Very high100 Ų10048.4 Ų48.444%0.43527%0.267SS..SBendtrans-54.9148.2178.568.4177.4176.9-177.10112V212K113-V212 VanDerWaalsContact CD-O 3.26Å; K113-V212 WeakPolarHBondContact CD-O 3.47Å
114L96.6Very high94.8Very high16 Ų1647 Ų478%0.08426%0.259CS..PPolyproline II helixtrans-71148172.9-60.3-175.6000110.3L104 R107 I108 T118 S119 M211L104-L114 HydrophobicContact CD1-CD1 3.75Å; L104-L114 HydrophobicContact CD1-CG 4.5Å; R107-L114 HydrophobicContact CG-CD2 4.18Å; I108-L114 HydrophobicContact CG1-CD2 4.46Å; I108-L114 HydrophobicContact CG1-CG 4.27Å; L114-T118 HydrophobicContact CD1-CG2 4.23Å; L114-T118 HydrophobicContact CD2-CG2 4.3Å; L114-S119 VanDerWaalsContact CB-OG 3.22Å; L114-S119 WeakPolarHBondContact CB-OG 3.47Å; L114-M211 HydrophobicContact CD1-CB 4.24Å; L114-M211 HydrophobicContact CD1-CG 4.02Å; L114-M211 HydrophobicContact CD1-SD 4.06Å; L114-M211 PolarHBondContact N-O 3.47Å
115C94.5Very high94.6Very high60 Ų6047.1 Ų47.141%0.40526%0.26SS..PPolyproline II helixtrans-70.3157.1170.771.10000110.4N117 T118 S119C115-N117 VanDerWaalsContact C-N 3.32Å; C115-N117 PolarHBondContact O-N 2.53Å; C115-T118 PolarHBondContact O-N 3Å; C115-T118 PolarHBondContact SG-OG1 3.38Å; C115-S119 PolarHBondContact O-N 3.27Å; C115-S119 PolarHBondContact O-OG 3.2Å; C115-S119 VanDerWaalsContact O-OG 3.1Å
116D90.9Very high94.5Very high55 Ų5544.4 Ų44.429%0.29425%0.248SC..Hα-helixtrans-51-47.7-173.8-171.861.6000112.9T118 S119 K120 W271D116-T118 PolarHBondContact O-N 3.37Å; D116-S119 WeakPolarHBondContact O-CB 3.5Å; D116-S119 PolarHBondContact O-N 3.25Å; D116-K120 WeakPolarHBondContact O-CG 3.4Å; D116-K120 PolarHBondContact O-N 3.48Å; D116-K120 WeakPolarHBondContact OD2-CE 3.32Å; D116-K120 IonicContact OD2-NZ 2.74Å; D116-W271 PolarHBondContact OD1-NE1 2.95Å
117N90Very high94.4Very high59 Ų5940 Ų4032%0.31622%0.224SC..Hα-helixtrans-62.9-44.7178.6-71.9-1.7000113.1C115 S119 K120 I121C115-N117 VanDerWaalsContact C-N 3.32Å; C115-N117 PolarHBondContact O-N 2.53Å; N117-S119 VanDerWaalsContact C-N 3.34Å; N117-K120 PolarHBondContact O-N 3.11Å; N117-I121 WeakPolarHBondContact O-CG1 3.33Å; N117-I121 PolarHBondContact O-N 3.07Å; N117-I121 VanDerWaalsContact O-N 3.07Å
118T92.6Very high94.2Very high56 Ų5637.2 Ų37.234%0.34422%0.215SC..Hα-helixtrans-66.7-38.9178.3-59.30000110.8L114 C115 D116 I121 T122L114-T118 HydrophobicContact CD1-CG2 4.23Å; L114-T118 HydrophobicContact CD2-CG2 4.3Å; C115-T118 PolarHBondContact O-N 3Å; C115-T118 PolarHBondContact SG-OG1 3.38Å; D116-T118 PolarHBondContact O-N 3.37Å; T118-I121 PolarHBondContact O-N 3.15Å; T118-T122 VanDerWaalsContact O-CB 3.23Å; T118-T122 WeakPolarHBondContact O-CB 3.34Å; T118-T122 PolarHBondContact O-N 2.88Å; T118-T122 PolarHBondContact O-OG1 3.34Å
119S95.1Very high94Very high0 Ų037 Ų370%021%0.214CC..Hα-helixtrans-59.4-44.7173.3-610000111.6L114 C115 D116 N117 F123L114-S119 VanDerWaalsContact CB-OG 3.22Å; L114-S119 WeakPolarHBondContact CB-OG 3.47Å; C115-S119 PolarHBondContact O-N 3.27Å; C115-S119 PolarHBondContact O-OG 3.2Å; C115-S119 VanDerWaalsContact O-OG 3.1Å; D116-S119 WeakPolarHBondContact O-CB 3.5Å; D116-S119 PolarHBondContact O-N 3.25Å; N117-S119 VanDerWaalsContact C-N 3.34Å; S119-F123 WeakPolarHBondContact O-CB 3.43Å; S119-F123 PolarHBondContact O-N 2.98Å
120K92.6Very high94Very high25 Ų2533.1 Ų33.111%0.10919%0.188CC..Hα-helixtrans-61.3-50.8177.8-73.5179.5-173.7-164.90112.3D116 N117 T122 F123 A124 W271 L272 V275D116-K120 WeakPolarHBondContact O-CG 3.4Å; D116-K120 PolarHBondContact O-N 3.48Å; D116-K120 WeakPolarHBondContact OD2-CE 3.32Å; D116-K120 IonicContact OD2-NZ 2.74Å; N117-K120 PolarHBondContact O-N 3.11Å; K120-T122 PolarHBondContact O-N 3.31Å; K120-F123 PolarHBondContact O-N 3.32Å; K120-A124 VanDerWaalsContact O-CB 3.22Å; K120-A124 WeakPolarHBondContact O-CB 3.33Å; K120-A124 PolarHBondContact O-N 3.44Å; K120-W271 HydrophobicContact CB-CH2 4.32Å; K120-W271 HydrophobicContact CB-CZ2 4.42Å; K120-W271 VanDerWaalsContact CD-O 3.26Å; K120-W271 WeakPolarHBondContact CD-O 3.24Å; K120-W271 WeakPolarHBondContact CE-O 3.33Å; K120-W271 HydrophobicContact CG-CD2 4.02Å; K120-W271 HydrophobicContact CG-CE3 4.25Å; K120-W271 HydrophobicContact CG-CH2 3.76Å; K120-W271 HydrophobicContact CG-CZ2 3.47Å; K120-W271 VanDerWaalsContact CG-CZ2 3.47Å; K120-W271 HydrophobicContact CG-CZ3 4.13Å; K120-W271 PolarHBondContact NZ-O 3.36Å; K120-L272 HydrophobicContact CB-CD2 4.34Å; K120-V275 HydrophobicContact CB-CG2 3.96Å
121I91.1Very high93.9Very high34 Ų3431.8 Ų31.817%0.17417%0.171CC..Hα-helixtrans-61.5-47-179.6-66.4168.6000110.3N117 T118 A124 Q125 L356 P357 V359N117-I121 WeakPolarHBondContact O-CG1 3.33Å; N117-I121 PolarHBondContact O-N 3.07Å; N117-I121 VanDerWaalsContact O-N 3.07Å; T118-I121 PolarHBondContact O-N 3.15Å; I121-A124 PolarHBondContact O-N 3.44Å; I121-Q125 WeakPolarHBondContact O-CG 3.47Å; I121-Q125 PolarHBondContact O-N 3.26Å; I121-Q125 VanDerWaalsContact O-N 3.15Å; I121-L356 HydrophobicContact CG2-CD2 4.08Å; I121-P357 HydrophobicContact CG2-CB 4.4Å; I121-P357 HydrophobicContact CG2-CG 3.95Å; I121-V359 HydrophobicContact CD1-CG2 3.74Å; I121-V359 HydrophobicContact CG1-CG2 3.67Å
122T94.6Very high93.7Very high5 Ų525.2 Ų25.23%0.03114%0.14CC..Hα-helixtrans-62.3-48.9179.5-55.90000110.6T118 K120 A124 Q125 I126 F150 V156 M211T118-T122 VanDerWaalsContact O-CB 3.23Å; T118-T122 WeakPolarHBondContact O-CB 3.34Å; T118-T122 PolarHBondContact O-N 2.88Å; T118-T122 PolarHBondContact O-OG1 3.34Å; K120-T122 PolarHBondContact O-N 3.31Å; T122-A124 PolarHBondContact O-N 3.06Å; T122-Q125 PolarHBondContact O-N 3.28Å; T122-I126 HydrophobicContact CG2-CD1 4.11Å; T122-I126 WeakPolarHBondContact O-CG1 3.32Å; T122-I126 PolarHBondContact O-N 3.03Å; T122-I126 VanDerWaalsContact O-N 3.08Å; T122-F150 HydrophobicContact CG2-CE1 4.27Å; T122-F150 HydrophobicContact CG2-CZ 4.16Å; T122-V156 HydrophobicContact CG2-CG2 3.66Å; T122-M211 HydrophobicContact CG2-SD 3.72Å
123F95.8Very high93.6Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-65-38.9-180-169.1-107.8000112.4S119 K120 Q125 I126 L127 M204 L208 M211 L248 I252 M266 W271 L272S119-F123 WeakPolarHBondContact O-CB 3.43Å; S119-F123 PolarHBondContact O-N 2.98Å; K120-F123 PolarHBondContact O-N 3.32Å; F123-Q125 VanDerWaalsContact C-N 3.33Å; F123-Q125 PolarHBondContact O-N 3.49Å; F123-I126 PolarHBondContact O-N 3.46Å; F123-L127 HydrophobicContact CE1-CD2 4.29Å; F123-L127 VanDerWaalsContact O-CB 3.23Å; F123-L127 WeakPolarHBondContact O-CB 3.45Å; F123-L127 PolarHBondContact O-N 3.4Å; F123-M204 HydrophobicContact CE2-CB 4.12Å; F123-M204 WeakPolarHBondContact CE2-O 3.47Å; F123-M204 HydrophobicContact CZ-CB 4.43Å; F123-L208 HydrophobicContact CD2-CB 4.02Å; F123-L208 HydrophobicContact CD2-CD1 4.15Å; F123-L208 HydrophobicContact CE1-CD2 4.35Å; F123-L208 HydrophobicContact CE2-CB 3.71Å; F123-L208 HydrophobicContact CE2-CD1 4.49Å; F123-L208 HydrophobicContact CE2-CD2 4.34Å; F123-L208 HydrophobicContact CE2-CG 4.4Å; F123-L208 HydrophobicContact CG-CD1 4.17Å; F123-L208 HydrophobicContact CZ-CB 4.27Å; F123-L208 HydrophobicContact CZ-CD2 4.1Å; F123-M211 HydrophobicContact CB-CE 3.83Å; F123-M211 HydrophobicContact CD2-CE 3.61Å; F123-M211 HydrophobicContact CG-CE 4.16Å; F123-L248 HydrophobicContact CE1-CD2 3.94Å; F123-I252 HydrophobicContact CZ-CD1 4.19Å; F123-M266 HydrophobicContact CE1-CE 3.95Å; F123-M266 HydrophobicContact CZ-CE 3.47Å; F123-M266 VanDerWaalsContact CZ-CE 3.47Å; F123-W271 HydrophobicContact CB-CH2 4.31Å; F123-W271 HydrophobicContact CB-CZ3 4.04Å; F123-W271 AromaticContact CD1-CZ3 3.91Å; F123-W271 HydrophobicContact CD1-CZ3 3.91Å; F123-W271 HydrophobicContact CG-CZ3 4.18Å; F123-L272 HydrophobicContact CD1-CD1 4.18Å; F123-L272 HydrophobicContact CD1-CD2 4.22Å; F123-L272 HydrophobicContact CE1-CD1 4.5Å
124A92.7Very high93.5Very high0 Ų019.3 Ų19.30%011%0.105CC..Hα-helixtrans-60.2-42.3176.200000112K120 I121 T122 L127 S128 L272 V275 F277K120-A124 VanDerWaalsContact O-CB 3.22Å; K120-A124 WeakPolarHBondContact O-CB 3.33Å; K120-A124 PolarHBondContact O-N 3.44Å; I121-A124 PolarHBondContact O-N 3.44Å; T122-A124 PolarHBondContact O-N 3.06Å; A124-L127 PolarHBondContact O-N 3.31Å; A124-S128 WeakPolarHBondContact O-CB 3.34Å; A124-S128 PolarHBondContact O-N 3.32Å; A124-L272 HydrophobicContact CB-CD2 4.37Å; A124-V275 HydrophobicContact CB-CG1 3.97Å; A124-F277 HydrophobicContact CB-CD1 3.97Å; A124-F277 HydrophobicContact CB-CE1 3.57Å; A124-F277 HydrophobicContact CB-CZ 4.43Å
125Q93.2Very high93.3Very high2 Ų222.2 Ų22.21%0.00912%0.121CC..Hα-helixtrans-67.3-41.7176.7-72.4-174.5-43.800112.6N78 I121 T122 F123 L127 S128 A129 V156 P357N78-Q125 HydrophobicContact CB-CB 4.29Å; N78-Q125 WeakPolarHBondContact CB-O 3.49Å; N78-Q125 PolarHBondContact ND2-NE2 3.37Å; I121-Q125 WeakPolarHBondContact O-CG 3.47Å; I121-Q125 PolarHBondContact O-N 3.26Å; I121-Q125 VanDerWaalsContact O-N 3.15Å; T122-Q125 PolarHBondContact O-N 3.28Å; F123-Q125 VanDerWaalsContact C-N 3.33Å; F123-Q125 PolarHBondContact O-N 3.49Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-S128 PolarHBondContact O-N 3.42Å; Q125-A129 PolarHBondContact O-N 3.38Å; Q125-V156 HydrophobicContact CB-CB 3.83Å; Q125-V156 HydrophobicContact CB-CG1 4.5Å; Q125-V156 HydrophobicContact CB-CG2 4.2Å; Q125-P357 HydrophobicContact CG-CG 3.79Å
126I95.9Very high93.1Very high1 Ų120.9 Ų20.91%0.00511%0.11CC..Hα-helixtrans-60.6-47.2173.6-63.6166.2000109.9T122 F123 S128 A129 V130 V148 V156 M204T122-I126 HydrophobicContact CG2-CD1 4.11Å; T122-I126 WeakPolarHBondContact O-CG1 3.32Å; T122-I126 PolarHBondContact O-N 3.03Å; T122-I126 VanDerWaalsContact O-N 3.08Å; F123-I126 PolarHBondContact O-N 3.46Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 2.73Å; I126-A129 WeakPolarHBondContact O-CB 3.36Å; I126-A129 PolarHBondContact O-N 2.92Å; I126-V130 HydrophobicContact CG2-CG2 4.31Å; I126-V130 WeakPolarHBondContact O-CG2 3.45Å; I126-V130 PolarHBondContact O-N 2.79Å; I126-V148 HydrophobicContact CD1-CG1 3.89Å; I126-V148 HydrophobicContact CD1-CG2 3.98Å; I126-V148 HydrophobicContact CG1-CG1 4.13Å; I126-V148 HydrophobicContact CG1-CG2 4.32Å; I126-V156 HydrophobicContact CG1-CG1 3.89Å; I126-M204 HydrophobicContact CG2-CG 4.39Å; I126-M204 HydrophobicContact CG2-SD 4.45Å
127L94.3Very high93.2Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-62.5-39.9-179.2-173.357.4000111.9F123 A124 Q125 V130 K131 M204 V263 M266 L267 L272F123-L127 HydrophobicContact CE1-CD2 4.29Å; F123-L127 VanDerWaalsContact O-CB 3.23Å; F123-L127 WeakPolarHBondContact O-CB 3.45Å; F123-L127 PolarHBondContact O-N 3.4Å; A124-L127 PolarHBondContact O-N 3.31Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; L127-V130 PolarHBondContact O-N 2.78Å; L127-K131 WeakPolarHBondContact O-CB 3.27Å; L127-K131 PolarHBondContact O-N 3.1Å; L127-M204 HydrophobicContact CD1-CE 3.91Å; L127-M204 HydrophobicContact CD1-SD 3.81Å; L127-V263 HydrophobicContact CD1-CG1 3.8Å; L127-M266 HydrophobicContact CD1-CB 4.14Å; L127-M266 HydrophobicContact CD1-CE 3.81Å; L127-M266 HydrophobicContact CD1-SD 4.2Å; L127-M266 HydrophobicContact CD2-CB 3.7Å; L127-L267 HydrophobicContact CD2-CD2 3.6Å; L127-L267 HydrophobicContact CD2-CG 3.82Å; L127-L267 HydrophobicContact CG-CD2 3.8Å; L127-L267 HydrophobicContact CG-CG 4.1Å; L127-L272 HydrophobicContact CD2-CD1 3.88Å
128S91.3Very high93.4Very high14 Ų1417.6 Ų17.610%0.0989%0.092CC..Hα-helixtrans-59.5-49.2173.6-166.80000111.4H76 A124 Q125 I126 V130 K131 Y132H76-S128 PolarHBondContact CE1-OG 2.98Å; H76-S128 PolarHBondContact NE2-OG 3.35Å; A124-S128 WeakPolarHBondContact O-CB 3.34Å; A124-S128 PolarHBondContact O-N 3.32Å; Q125-S128 PolarHBondContact O-N 3.42Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 2.73Å; S128-V130 PolarHBondContact O-N 3.2Å; S128-K131 PolarHBondContact O-N 3.31Å; S128-Y132 WeakPolarHBondContact O-CB 3.37Å; S128-Y132 PolarHBondContact O-N 3.37Å
129A93.6Very high93.5Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-58.9-46.1176.300000112.6N78 V79 Q125 I126 Y132 M133 V158N78-A129 HydrophobicContact CB-CB 4.02Å; V79-A129 HydrophobicContact CG2-CB 3.69Å; Q125-A129 PolarHBondContact O-N 3.38Å; I126-A129 WeakPolarHBondContact O-CB 3.36Å; I126-A129 PolarHBondContact O-N 2.92Å; A129-Y132 WeakPolarHBondContact O-CB 3.23Å; A129-Y132 PolarHBondContact O-N 2.86Å; A129-M133 VanDerWaalsContact O-CG 3.32Å; A129-M133 WeakPolarHBondContact O-CG 3.49Å; A129-M133 PolarHBondContact O-N 3.09Å; A129-V158 HydrophobicContact CB-CB 4.42Å; A129-V158 HydrophobicContact CB-CG2 3.8Å
130V95.4Very high93.6Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-66.2-42.8-179.51750000111.6I126 L127 S128 Y132 M133 H134 L143 D200 M204I126-V130 HydrophobicContact CG2-CG2 4.31Å; I126-V130 WeakPolarHBondContact O-CG2 3.45Å; I126-V130 PolarHBondContact O-N 2.79Å; L127-V130 PolarHBondContact O-N 2.78Å; S128-V130 PolarHBondContact O-N 3.2Å; V130-Y132 VanDerWaalsContact C-N 3.31Å; V130-Y132 PolarHBondContact O-N 3.06Å; V130-M133 HydrophobicContact CB-CE 4.29Å; V130-M133 HydrophobicContact CG2-CE 3.82Å; V130-M133 PolarHBondContact O-N 2.9Å; V130-H134 VanDerWaalsContact CG1-CE1 3.47Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.04Å; V130-H134 WeakPolarHBondContact O-CB 3.46Å; V130-H134 PolarHBondContact O-N 2.7Å; V130-L143 HydrophobicContact CG2-CD1 3.64Å; V130-L143 HydrophobicContact CG2-CD2 4.41Å; V130-D200 HydrophobicContact CG1-CB 4.37Å; V130-M204 HydrophobicContact CB-CE 4.39Å; V130-M204 HydrophobicContact CB-SD 3.9Å; V130-M204 HydrophobicContact CG1-CE 3.86Å; V130-M204 HydrophobicContact CG1-SD 3.99Å; V130-M204 HydrophobicContact CG2-CG 4.41Å; V130-M204 HydrophobicContact CG2-SD 3.82Å
131K93.6Very high93.7Very high62 Ų6214.4 Ų14.427%0.277%0.073SC..Hα-helixtrans-56.6-47.6173.7-176167.1171.2167.60111.5L127 S128 H134 N135 V263 D264 L267L127-K131 WeakPolarHBondContact O-CB 3.27Å; L127-K131 PolarHBondContact O-N 3.1Å; S128-K131 PolarHBondContact O-N 3.31Å; K131-H134 PolarHBondContact O-N 2.93Å; K131-N135 VanDerWaalsContact O-CG 3.25Å; K131-N135 PolarHBondContact O-N 2.87Å; K131-V263 HydrophobicContact CB-CG1 3.55Å; K131-V263 HydrophobicContact CD-CG1 4.07Å; K131-V263 HydrophobicContact CG-CG1 3.89Å; K131-D264 VanDerWaalsContact CE-OD1 3.31Å; K131-D264 WeakPolarHBondContact CE-OD1 3.28Å; K131-D264 IonicContact NZ-OD1 2.67Å; K131-D264 PolarHBondContact NZ-OD1 3Å; K131-L267 HydrophobicContact CD-CD1 3.37Å
132Y92.3Very high93.9Very high8 Ų812.9 Ų12.93%0.0317%0.065CC..Hα-helixtrans-58.5-49.5178.4172.9-97.3000111.7C73 L74 Q75 H76 S128 A129 V130 H134 N135 L136C73-Y132 PolarHBondContact O-OH 2.78Å; L74-Y132 HydrophobicContact CD2-CD1 4.06Å; L74-Y132 HydrophobicContact CD2-CE1 3.63Å; Q75-Y132 PolarHBondContact N-OH 3.42Å; Q75-Y132 PolarHBondContact O-OH 3.12Å; Q75-Y132 VanDerWaalsContact O-OH 3.11Å; H76-Y132 HydrophobicContact CB-CD1 3.63Å; H76-Y132 HydrophobicContact CB-CD2 4.49Å; H76-Y132 HydrophobicContact CB-CE1 3.78Å; H76-Y132 HydrophobicContact CB-CG 4.01Å; H76-Y132 AromaticContact CD2-CD2 3.98Å; H76-Y132 AromaticContact CD2-CG 3.69Å; S128-Y132 WeakPolarHBondContact O-CB 3.37Å; S128-Y132 PolarHBondContact O-N 3.37Å; A129-Y132 WeakPolarHBondContact O-CB 3.23Å; A129-Y132 PolarHBondContact O-N 2.86Å; V130-Y132 VanDerWaalsContact C-N 3.31Å; V130-Y132 PolarHBondContact O-N 3.06Å; Y132-H134 PolarHBondContact O-N 3.49Å; Y132-N135 WeakPolarHBondContact O-CB 3.49Å; Y132-N135 PolarHBondContact O-N 3.2Å; Y132-L136 HydrophobicContact CD1-CD1 4.35Å; Y132-L136 HydrophobicContact CE1-CD1 3.65Å; Y132-L136 HydrophobicContact CE2-CD1 4.15Å; Y132-L136 PolarHBondContact O-N 2.82Å
133M93.9Very high94Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-58.5-46.6177-68.2-175-68.100111.9L74 A129 V130 N135 L136 N137 I138 H140 V158 F161L74-M133 HydrophobicContact CD2-CG 3.82Å; A129-M133 VanDerWaalsContact O-CG 3.32Å; A129-M133 WeakPolarHBondContact O-CG 3.49Å; A129-M133 PolarHBondContact O-N 3.09Å; V130-M133 HydrophobicContact CB-CE 4.29Å; V130-M133 HydrophobicContact CG2-CE 3.82Å; V130-M133 PolarHBondContact O-N 2.9Å; M133-N135 VanDerWaalsContact C-N 3.28Å; M133-N135 PolarHBondContact O-N 2.79Å; M133-L136 CarbonylContact O-C 3.52Å; M133-L136 WeakPolarHBondContact O-CA 3.24Å; M133-L136 PolarHBondContact O-N 2.81Å; M133-N137 PolarHBondContact O-N 3.48Å; M133-I138 CarbonylContact C-O 3.45Å; M133-I138 HydrophobicContact CB-CB 4.41Å; M133-I138 WeakPolarHBondContact CB-O 3.27Å; M133-I138 PolarHBondContact O-N 3.07Å; M133-I138 VanDerWaalsContact O-O 3.12Å; M133-H140 HydrophobicContact CE-CB 4.21Å; M133-V158 HydrophobicContact CE-CG1 4.38Å; M133-F161 HydrophobicContact SD-CE1 3.51Å; M133-F161 VanDerWaalsContact SD-CE1 3.51Å; M133-F161 HydrophobicContact SD-CZ 4.02Å
134H93.7Very high94Very high9 Ų914.2 Ų14.24%0.0427%0.071CC..Hα-helixtrans-67.2-26179.7-70.6-174000113.3V130 K131 Y132 L136 N137 I138 R170 D200V130-H134 VanDerWaalsContact CG1-CE1 3.47Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.04Å; V130-H134 WeakPolarHBondContact O-CB 3.46Å; V130-H134 PolarHBondContact O-N 2.7Å; K131-H134 PolarHBondContact O-N 2.93Å; Y132-H134 PolarHBondContact O-N 3.49Å; H134-L136 VanDerWaalsContact C-N 3.33Å; H134-N137 PolarHBondContact O-N 3.32Å; H134-I138 PolarHBondContact CD2-O 3.5Å; H134-R170 PolarHBondContact O-NE 3.3Å; H134-R170 PolarHBondContact O-NH2 2.86Å; H134-R170 VanDerWaalsContact O-NH2 3.09Å; H134-D200 IonicContact CD2-OD2 2.72Å; H134-D200 IonicContact CE1-OD2 3.46Å; H134-D200 IonicContact NE2-OD2 3.38Å; H134-D200 PolarHBondContact NE2-OD2 2.84Å
135N91.6Very high94.2Very high76 Ų7614.2 Ų14.241%0.4067%0.071SC..Hα-helixtrans-70.5-30.6171.4-73.6-11.8000112.2K131 Y132 M133 N137 R170K131-N135 VanDerWaalsContact O-CG 3.25Å; K131-N135 PolarHBondContact O-N 2.87Å; Y132-N135 WeakPolarHBondContact O-CB 3.49Å; Y132-N135 PolarHBondContact O-N 3.2Å; M133-N135 VanDerWaalsContact C-N 3.28Å; M133-N135 PolarHBondContact O-N 2.79Å; N135-N137 PolarHBondContact O-N 3.15Å; N135-R170 PolarHBondContact OD1-NH2 3.43Å
136L90.9Very high94.3Very high33 Ų3317.6 Ų17.617%0.1739%0.086CC..THydrogen-bonded Turntrans-85.96.6173.2-62.6177.8000113.5L74 Y132 M133 H134 I138L74-L136 HydrophobicContact CD2-CD1 4.08Å; Y132-L136 HydrophobicContact CD1-CD1 4.35Å; Y132-L136 HydrophobicContact CE1-CD1 3.65Å; Y132-L136 HydrophobicContact CE2-CD1 4.15Å; Y132-L136 PolarHBondContact O-N 2.82Å; M133-L136 CarbonylContact O-C 3.52Å; M133-L136 WeakPolarHBondContact O-CA 3.24Å; M133-L136 PolarHBondContact O-N 2.81Å; H134-L136 VanDerWaalsContact C-N 3.33Å; L136-I138 HydrophobicContact CB-CD1 4.15Å; L136-I138 HydrophobicContact CB-CG1 4.31Å; L136-I138 PolarHBondContact O-N 3.49Å
137N93.3Very high94.4Very high43 Ų4318 Ų1823%0.239%0.089CC..THydrogen-bonded Turntrans57.929.7-172.8-61.1-51.2000113.3M133 H134 N135 R166 V167M133-N137 PolarHBondContact O-N 3.48Å; H134-N137 PolarHBondContact O-N 3.32Å; N135-N137 PolarHBondContact O-N 3.15Å; N137-R166 CarbonylContact O-C 3.57Å; N137-R166 VanDerWaalsContact O-CA 3.27Å; N137-R166 WeakPolarHBondContact O-CA 3.23Å; N137-V167 HydrophobicContact CB-CG2 3.88Å; N137-V167 VanDerWaalsContact CB-O 3.26Å; N137-V167 WeakPolarHBondContact CB-O 3.48Å; N137-V167 WeakPolarHBondContact O-CG2 3.23Å; N137-V167 PolarHBondContact O-N 2.72Å
138I94.1Very high94.6Very high1 Ų118.1 Ų18.11%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-100.2124.8173.7-64.3169.8000108.1L74 M133 H134 L136 R166L74-I138 HydrophobicContact CD1-CD1 4.49Å; L74-I138 HydrophobicContact CD2-CD1 3.8Å; L74-I138 HydrophobicContact CG-CD1 4.02Å; M133-I138 CarbonylContact C-O 3.45Å; M133-I138 HydrophobicContact CB-CB 4.41Å; M133-I138 WeakPolarHBondContact CB-O 3.27Å; M133-I138 PolarHBondContact O-N 3.07Å; M133-I138 VanDerWaalsContact O-O 3.12Å; H134-I138 PolarHBondContact CD2-O 3.5Å; L136-I138 HydrophobicContact CB-CD1 4.15Å; L136-I138 HydrophobicContact CB-CG1 4.31Å; L136-I138 PolarHBondContact O-N 3.49Å; I138-R166 HydrophobicContact CG1-CB 4.42Å; I138-R166 HydrophobicContact CG1-CG 4.27Å
139I95.4Very high94.8Very high1 Ų119.5 Ų19.51%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-109.7131.4178.7-45.3-55.5000108.2R141 S164 T165 V167 G196 P197 D200I139-R141 HydrophobicContact CB-CG 4.2Å; I139-R141 HydrophobicContact CG2-CG 3.64Å; I139-S164 CarbonylContact O-C 3.49Å; I139-S164 WeakPolarHBondContact O-CA 3.35Å; I139-S164 WeakPolarHBondContact O-CB 3.44Å; I139-T165 PolarHBondContact N-O 3.02Å; I139-T165 PolarHBondContact O-N 2.88Å; I139-V167 HydrophobicContact CD1-CG2 4.45Å; I139-V167 HydrophobicContact CG1-CG1 4.19Å; I139-V167 HydrophobicContact CG1-CG2 4.29Å; I139-G196 WeakPolarHBondContact CG2-O 3.41Å; I139-P197 HydrophobicContact CD1-CB 4.32Å; I139-P197 HydrophobicContact CD1-CG 3.62Å; I139-D200 VanDerWaalsContact CG2-OD2 3.29Å; I139-D200 WeakPolarHBondContact CG2-OD2 3.23Å
140H96Very high94.9Very high0 Ų019.6 Ų19.60%010%0.096CC..  trans-77.9-46.5-173-171.6-75.5000112.5M133 D142 L143 A159 D160 F161 F163 S164 D200M133-H140 HydrophobicContact CE-CB 4.21Å; H140-D142 VanDerWaalsContact CE1-C 3.48Å; H140-D142 PolarHBondContact CE1-O 2.98Å; H140-D142 VanDerWaalsContact CE1-O 3.26Å; H140-D142 PolarHBondContact ND1-N 2.79Å; H140-D142 PolarHBondContact ND1-O 3.28Å; H140-D142 PolarHBondContact O-N 2.82Å; H140-L143 HydrophobicContact CB-CD2 4.18Å; H140-L143 HydrophobicContact CB-CG 3.97Å; H140-L143 PolarHBondContact ND1-N 3.12Å; H140-A159 PolarHBondContact NE2-O 2.94Å; H140-D160 PolarHBondContact CE1-O 3Å; H140-D160 VanDerWaalsContact CE1-O 3.31Å; H140-D160 PolarHBondContact NE2-O 3.32Å; H140-F161 AromaticContact CD2-CE1 3.82Å; H140-F163 CarbonylContact O-C 3.57Å; H140-S164 PolarHBondContact O-N 3.45Å; H140-D200 PolarHBondContact N-OD2 3.33Å
141R95.1Very high94.8Very high14 Ų1420 Ų205%0.05310%0.098CC..SBendtrans65-8.6176.7-52.8-168.4-63.8171.8-0.5117.7I139 F163 Y194 D200I139-R141 HydrophobicContact CB-CG 4.2Å; I139-R141 HydrophobicContact CG2-CG 3.64Å; R141-F163 PolarHBondContact NE-O 3.49Å; R141-F163 PolarHBondContact NH2-O 2.71Å; R141-Y194 PolarHBondContact NH1-OH 3.47Å; R141-D200 WeakPolarHBondContact CA-OD1 3.49Å; R141-D200 PolarHBondContact N-OD1 2.92Å
142D94.8Very high94.6Very high1 Ų121.6 Ų21.61%0.00512%0.117CC..  trans-133.246.9170.3-166.239.4000112.8H140 K144 N147 F163 G179 S180H140-D142 VanDerWaalsContact CE1-C 3.48Å; H140-D142 PolarHBondContact CE1-O 2.98Å; H140-D142 VanDerWaalsContact CE1-O 3.26Å; H140-D142 PolarHBondContact ND1-N 2.79Å; H140-D142 PolarHBondContact ND1-O 3.28Å; H140-D142 PolarHBondContact O-N 2.82Å; D142-K144 PolarHBondContact O-N 3.04Å; D142-K144 IonicContact OD1-NZ 3.68Å; D142-K144 IonicContact OD2-NZ 3.14Å; D142-K144 PolarHBondContact OD2-NZ 2.96Å; D142-N147 PolarHBondContact O-ND2 3.32Å; D142-N147 PolarHBondContact OD2-ND2 2.82Å; D142-F163 HydrophobicContact CB-CB 4.15Å; D142-F163 HydrophobicContact CB-CD2 3.58Å; D142-F163 HydrophobicContact CB-CE2 4.46Å; D142-F163 HydrophobicContact CB-CG 4.28Å; D142-G179 VanDerWaalsContact OD1-CA 3.24Å; D142-G179 WeakPolarHBondContact OD1-CA 3.43Å; D142-S180 PolarHBondContact OD1-N 3.18Å; D142-S180 PolarHBondContact OD1-OG 3.34Å
143L97Very high94.3Very high1 Ų127 Ų271%0.00515%0.147CC..  trans-69.2119.5172.7-73.5174.2000109.8V130 H140 V158 D200 A203 M204 L207V130-L143 HydrophobicContact CG2-CD1 3.64Å; V130-L143 HydrophobicContact CG2-CD2 4.41Å; H140-L143 HydrophobicContact CB-CD2 4.18Å; H140-L143 HydrophobicContact CB-CG 3.97Å; H140-L143 PolarHBondContact ND1-N 3.12Å; L143-V158 HydrophobicContact CD2-CG1 3.8Å; L143-D200 HydrophobicContact CD1-CB 3.83Å; L143-A203 HydrophobicContact CB-CB 3.84Å; L143-M204 HydrophobicContact CD1-CG 4.12Å; L143-L207 HydrophobicContact CB-CD1 4.29Å
144K96.4Very high93.9Very high33 Ų3328.4 Ų28.414%0.14316%0.16CC..  trans-155.8164.6-179.365.6-171-173.4-149.20110.7D142 E146 N147 V148 S180 Y183D142-K144 PolarHBondContact O-N 3.04Å; D142-K144 IonicContact OD1-NZ 3.68Å; D142-K144 IonicContact OD2-NZ 3.14Å; D142-K144 PolarHBondContact OD2-NZ 2.96Å; K144-E146 WeakPolarHBondContact CB-OE2 3.33Å; K144-E146 HydrophobicContact CD-CB 4.45Å; K144-E146 WeakPolarHBondContact CD-OE2 3.4Å; K144-E146 HydrophobicContact CG-CB 4.23Å; K144-E146 WeakPolarHBondContact CG-OE2 3.26Å; K144-E146 PolarHBondContact O-N 3.22Å; K144-N147 WeakPolarHBondContact CE-ND2 3.42Å; K144-N147 HydrophobicContact CG-CB 3.95Å; K144-N147 PolarHBondContact O-N 3.14Å; K144-V148 PolarHBondContact O-N 2.83Å; K144-S180 WeakPolarHBondContact CD-OG 3.38Å; K144-S180 PolarHBondContact NZ-OG 3.42Å; K144-Y183 HydrophobicContact CB-CD1 4.25Å; K144-Y183 HydrophobicContact CB-CD2 3.7Å; K144-Y183 HydrophobicContact CB-CE1 4.1Å; K144-Y183 HydrophobicContact CB-CE2 3.51Å; K144-Y183 HydrophobicContact CB-CG 4.06Å
145A97.2Very high93.8Very high0 Ų028 Ų280%016%0.159CC..G310 helixtrans-65-28.1-172.200000112.7L104 H105 N147 V148 Y183 L207 F210L104-A145 HydrophobicContact CB-CB 4.26Å; L104-A145 WeakPolarHBondContact CB-O 3.2Å; L104-A145 HydrophobicContact CD2-CB 4.25Å; L104-A145 HydrophobicContact CG-CB 4.18Å; L104-A145 PolarHBondContact N-O 2.98Å; H105-A145 HydrophobicContact CB-CB 3.77Å; H105-A145 PolarHBondContact N-O 2.85Å; A145-N147 PolarHBondContact O-N 3.25Å; A145-V148 PolarHBondContact O-N 3.32Å; A145-Y183 WeakPolarHBondContact CB-OH 3.38Å; A145-Y183 PolarHBondContact N-OH 2.86Å; A145-L207 HydrophobicContact CB-CD2 3.94Å; A145-F210 HydrophobicContact CB-CD1 3.9Å; A145-F210 HydrophobicContact CB-CE1 3.8Å
146E95.7Very high93.9Very high72 Ų7224.4 Ų24.434%0.33614%0.139SC..G310 helixtrans-68.1-25.8174.8-57.481.5174.800112.3H105 K144H105-E146 HydrophobicContact CB-CG 3.91Å; H105-E146 IonicContact CE1-OE1 3.59Å; H105-E146 IonicContact CG-OE1 3.23Å; H105-E146 IonicContact ND1-OE1 3.75Å; H105-E146 PolarHBondContact ND1-OE1 2.82Å; H105-E146 VanDerWaalsContact ND1-OE1 3.14Å; K144-E146 WeakPolarHBondContact CB-OE2 3.33Å; K144-E146 HydrophobicContact CD-CB 4.45Å; K144-E146 WeakPolarHBondContact CD-OE2 3.4Å; K144-E146 HydrophobicContact CG-CB 4.23Å; K144-E146 WeakPolarHBondContact CG-OE2 3.26Å; K144-E146 PolarHBondContact O-N 3.22Å
147N96.6Very high94.2Very high11 Ų1122.8 Ų22.86%0.05913%0.131CC..G310 helixtrans-95.54.4-179.9-72.3-4.6000112.7D142 K144 A145 A159D142-N147 PolarHBondContact O-ND2 3.32Å; D142-N147 PolarHBondContact OD2-ND2 2.82Å; K144-N147 WeakPolarHBondContact CE-ND2 3.42Å; K144-N147 HydrophobicContact CG-CB 3.95Å; K144-N147 PolarHBondContact O-N 3.14Å; A145-N147 PolarHBondContact O-N 3.25Å; N147-A159 WeakPolarHBondContact CB-O 3.12Å; N147-A159 PolarHBondContact O-N 3.28Å
148V97.9Very high94.4Very high1 Ų120.8 Ų20.81%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-106.9100.6172.9177.90000107.7D103 L104 I126 K144 A145 V156 L207D103-V148 CarbonylContact C-O 3.52Å; D103-V148 WeakPolarHBondContact CA-O 3.26Å; L104-V148 HydrophobicContact CB-CB 3.88Å; L104-V148 HydrophobicContact CB-CG1 3.98Å; L104-V148 HydrophobicContact CD2-CB 4.11Å; L104-V148 HydrophobicContact CD2-CG1 4.02Å; L104-V148 HydrophobicContact CD2-CG2 4.45Å; L104-V148 PolarHBondContact N-O 2.75Å; I126-V148 HydrophobicContact CD1-CG1 3.89Å; I126-V148 HydrophobicContact CD1-CG2 3.98Å; I126-V148 HydrophobicContact CG1-CG1 4.13Å; I126-V148 HydrophobicContact CG1-CG2 4.32Å; K144-V148 PolarHBondContact O-N 2.83Å; A145-V148 PolarHBondContact O-N 3.32Å; V148-V156 HydrophobicContact CG1-CG1 3.67Å; V148-V156 HydrophobicContact CG1-CG2 4.36Å; V148-L207 HydrophobicContact CG2-CD1 4.4Å
149L97.3Very high94.4Very high43 Ų4321.2 Ų21.223%0.22512%0.124CC..EExtended strand (participates in β ladder)trans-96.3155.1-177.3-50.6-177.4000111V80 A99 G102 D103 V156 K157 A159V80-L149 HydrophobicContact CG2-CD1 4.44Å; A99-L149 HydrophobicContact CB-CB 3.73Å; A99-L149 HydrophobicContact CB-CD1 4.09Å; G102-L149 CarbonylContact O-C 3.59Å; D103-L149 HydrophobicContact CB-CD2 3.74Å; L149-V156 CarbonylContact O-C 3.59Å; L149-V156 WeakPolarHBondContact O-CA 3.47Å; L149-K157 HydrophobicContact CB-CB 4.43Å; L149-K157 PolarHBondContact N-O 3.29Å; L149-K157 PolarHBondContact O-N 3.17Å; L149-A159 HydrophobicContact CD1-CB 3.62Å; L149-A159 HydrophobicContact CG-CB 3.88Å
150F95.7Very high94.2Very high3 Ų324 Ų241%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-106.6139.5170.6-66.5-76.7000110.9A99 G101 G102 L104 T122 C155 V156A99-F150 CarbonylContact C-O 3.55Å; A99-F150 WeakPolarHBondContact CB-O 3.38Å; G101-F150 WeakPolarHBondContact CA-O 3.34Å; G101-F150 PolarHBondContact N-O 3.33Å; G102-F150 PolarHBondContact O-N 3.4Å; L104-F150 HydrophobicContact CB-CE2 4.12Å; L104-F150 HydrophobicContact CD1-CE2 4.14Å; L104-F150 HydrophobicContact CD1-CZ 4.01Å; T122-F150 HydrophobicContact CG2-CE1 4.27Å; T122-F150 HydrophobicContact CG2-CZ 4.16Å; F150-C155 CarbonylContact C-O 3.2Å; F150-C155 WeakPolarHBondContact CA-O 3.47Å; F150-V156 HydrophobicContact CD1-CG2 4.25Å; F150-V156 HydrophobicContact CE1-CG2 3.84Å
151T92.6Very high93.9Very high7 Ų724 Ų244%0.04314%0.139CC..  trans-73.7168.2163.868.90000110.2D153 G154 C155 K157T151-D153 PolarHBondContact O-N 2.91Å; T151-D153 PolarHBondContact OG1-N 2.74Å; T151-G154 PolarHBondContact O-N 3.21Å; T151-G154 PolarHBondContact OG1-N 3Å; T151-C155 HydrophobicContact CG2-CB 4.37Å; T151-C155 PolarHBondContact N-O 3.47Å; T151-C155 PolarHBondContact OG1-N 3.11Å; T151-C155 VanDerWaalsContact OG1-N 3.14Å; T151-K157 HydrophobicContact CG2-CD 4.3Å; T151-K157 HydrophobicContact CG2-CG 3.69Å
152S89.1Confident93.5Very high96 Ų9624.2 Ų24.267%0.67115%0.145SC*.THydrogen-bonded Turntrans-58.9-27.6172.9-54.80000112.6G154S152-G154 VanDerWaalsContact C-N 3.29Å
153D85.5Confident93.1Very high123 Ų12327.8 Ų27.866%0.65816%0.161SC*.THydrogen-bonded Turntrans-87.4-0.1-179.3-47.9-56.1000112.4T151T151-D153 PolarHBondContact O-N 2.91Å; T151-D153 PolarHBondContact OG1-N 2.74Å
154G87.2Confident92.8Very high28 Ų2827.8 Ų27.829%0.28916%0.161SC..SBendtrans90.14.6174.500000115.5T151 S152T151-G154 PolarHBondContact O-N 3.21Å; T151-G154 PolarHBondContact OG1-N 3Å; S152-G154 VanDerWaalsContact C-N 3.29Å
155C91Very high92.6Very high1 Ų126.8 Ų26.81%0.00716%0.158CC..  trans-79.4147176.8-69.80000112.1F150 T151 D354F150-C155 CarbonylContact C-O 3.2Å; F150-C155 WeakPolarHBondContact CA-O 3.47Å; T151-C155 HydrophobicContact CG2-CB 4.37Å; T151-C155 PolarHBondContact N-O 3.47Å; T151-C155 PolarHBondContact OG1-N 3.11Å; T151-C155 VanDerWaalsContact OG1-N 3.14Å; C155-D354 PolarHBondContact SG-O 2.8Å
156V94.3Very high92.2Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-77.4141.3176.6171.20000111.7N78 T122 Q125 I126 V148 L149 F150N78-V156 VanDerWaalsContact CA-O 3.27Å; N78-V156 WeakPolarHBondContact CA-O 3.49Å; N78-V156 WeakPolarHBondContact CB-O 3.09Å; N78-V156 PolarHBondContact ND2-O 2.77Å; T122-V156 HydrophobicContact CG2-CG2 3.66Å; Q125-V156 HydrophobicContact CB-CB 3.83Å; Q125-V156 HydrophobicContact CB-CG1 4.5Å; Q125-V156 HydrophobicContact CB-CG2 4.2Å; I126-V156 HydrophobicContact CG1-CG1 3.89Å; V148-V156 HydrophobicContact CG1-CG1 3.67Å; V148-V156 HydrophobicContact CG1-CG2 4.36Å; L149-V156 CarbonylContact O-C 3.59Å; L149-V156 WeakPolarHBondContact O-CA 3.47Å; F150-V156 HydrophobicContact CD1-CG2 4.25Å; F150-V156 HydrophobicContact CE1-CG2 3.84Å
157K95.8Very high91.9Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-129.3114.8167-60.9-72.6177.1163.40109.3P77 V80 E97 A99 L149 T151 D354P77-K157 VanDerWaalsContact O-CD 3.27Å; P77-K157 WeakPolarHBondContact O-CD 3.32Å; P77-K157 WeakPolarHBondContact O-CE 3.45Å; P77-K157 PolarHBondContact O-NZ 2.85Å; V80-K157 HydrophobicContact CG2-CB 3.77Å; E97-K157 WeakPolarHBondContact OE1-CE 3Å; E97-K157 IonicContact OE1-NZ 2.67Å; E97-K157 PolarHBondContact OE1-NZ 3.31Å; E97-K157 WeakPolarHBondContact OE2-CE 3.43Å; E97-K157 IonicContact OE2-NZ 2.73Å; E97-K157 PolarHBondContact OE2-NZ 2.9Å; A99-K157 HydrophobicContact CB-CB 4.47Å; A99-K157 HydrophobicContact CB-CG 4.38Å; L149-K157 HydrophobicContact CB-CB 4.43Å; L149-K157 PolarHBondContact N-O 3.29Å; L149-K157 PolarHBondContact O-N 3.17Å; T151-K157 HydrophobicContact CG2-CD 4.3Å; T151-K157 HydrophobicContact CG2-CG 3.69Å; K157-D354 WeakPolarHBondContact CE-OD2 3.45Å; K157-D354 IonicContact NZ-OD1 3.83Å; K157-D354 PolarHBondContact NZ-OD1 3.32Å; K157-D354 IonicContact NZ-OD2 2.79Å; K157-D354 PolarHBondContact NZ-OD2 3.49Å
158V97.3Very high91.4Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-72.5128.9169.4179.30000108.6N78 V80 A129 M133 L143N78-V158 PolarHBondContact O-N 2.66Å; V80-V158 PolarHBondContact N-O 3.4Å; A129-V158 HydrophobicContact CB-CB 4.42Å; A129-V158 HydrophobicContact CB-CG2 3.8Å; M133-V158 HydrophobicContact CE-CG1 4.38Å; L143-V158 HydrophobicContact CD2-CG1 3.8Å
159A95.4Very high90.9Very high11 Ų1137.8 Ų37.89%0.09123%0.227CC..  trans-130170.4-171.700000112.1V80 H140 N147 L149V80-A159 HydrophobicContact CB-CB 4.36Å; V80-A159 HydrophobicContact CG2-CB 3.6Å; H140-A159 PolarHBondContact NE2-O 2.94Å; N147-A159 WeakPolarHBondContact CB-O 3.12Å; N147-A159 PolarHBondContact O-N 3.28Å; L149-A159 HydrophobicContact CD1-CB 3.62Å; L149-A159 HydrophobicContact CG-CB 3.88Å
160D90.6Very high89.9Confident58 Ų5841.8 Ų41.831%0.3124%0.239SC..  trans63.487.1175-159.914.6000115.8K49 H140 G162K49-D160 IonicContact NZ-OD1 2.84Å; K49-D160 PolarHBondContact NZ-OD1 3.01Å; H140-D160 PolarHBondContact CE1-O 3Å; H140-D160 VanDerWaalsContact CE1-O 3.31Å; H140-D160 PolarHBondContact NE2-O 3.32Å; D160-G162 VanDerWaalsContact C-N 3.33Å; D160-G162 PolarHBondContact O-N 3.46Å
161F90.4Very high89.1Confident1 Ų144.2 Ų44.20%0.00427%0.265CS..  trans-93.215.9-177.8-68.9-89.7000112.9E67 M71 L74 V79 M133 H140 F163 S164E67-F161 HydrophobicContact CG-CB 3.91Å; M71-F161 HydrophobicContact CE-CD2 3.92Å; M71-F161 HydrophobicContact CE-CE2 4.43Å; M71-F161 HydrophobicContact CG-CB 3.9Å; M71-F161 HydrophobicContact CG-CD2 3.84Å; M71-F161 HydrophobicContact CG-CG 3.89Å; M71-F161 HydrophobicContact SD-CB 4.18Å; M71-F161 HydrophobicContact SD-CD2 4.03Å; M71-F161 HydrophobicContact SD-CG 4.41Å; L74-F161 HydrophobicContact CD1-CD1 3.83Å; L74-F161 HydrophobicContact CD1-CE1 3.32Å; L74-F161 HydrophobicContact CD1-CE2 4.43Å; L74-F161 HydrophobicContact CD1-CZ 3.7Å; V79-F161 HydrophobicContact CG1-CE2 3.91Å; V79-F161 HydrophobicContact CG1-CZ 3.5Å; M133-F161 HydrophobicContact SD-CE1 3.51Å; M133-F161 VanDerWaalsContact SD-CE1 3.51Å; M133-F161 HydrophobicContact SD-CZ 4.02Å; H140-F161 AromaticContact CD2-CE1 3.82Å; F161-F163 PolarHBondContact O-N 2.8Å; F161-F163 VanDerWaalsContact O-N 3.07Å; F161-S164 WeakPolarHBondContact O-CB 3.26Å; F161-S164 PolarHBondContact O-N 3.19Å; F161-S164 PolarHBondContact O-OG 2.89Å
162G86.3Confident88.8Confident18 Ų1845.5 Ų45.519%0.18628%0.275CS..THydrogen-bonded Turntrans-61-21.6-175.600000114.7D160D160-G162 VanDerWaalsContact C-N 3.33Å; D160-G162 PolarHBondContact O-N 3.46Å
163F86.9Confident88.8Confident76 Ų7644 Ų4433%0.33327%0.267SS..THydrogen-bonded Turntrans-107.31.7173.7-64.4-65.1000113.5H140 R141 D142 F161 C178H140-F163 CarbonylContact O-C 3.57Å; R141-F163 PolarHBondContact NE-O 3.49Å; R141-F163 PolarHBondContact NH2-O 2.71Å; D142-F163 HydrophobicContact CB-CB 4.15Å; D142-F163 HydrophobicContact CB-CD2 3.58Å; D142-F163 HydrophobicContact CB-CE2 4.46Å; D142-F163 HydrophobicContact CB-CG 4.28Å; F161-F163 PolarHBondContact O-N 2.8Å; F161-F163 VanDerWaalsContact O-N 3.07Å; F163-C178 HydrophobicContact CB-CB 4.47Å; F163-C178 HydrophobicContact CD1-CB 3.55Å; F163-C178 HydrophobicContact CE1-CB 3.98Å; F163-C178 HydrophobicContact CG-CB 4.14Å
164S91Very high88.9Confident2 Ų239.2 Ų39.21%0.01424%0.242CC..  trans-68.5156.4-17774.60000111.8S70 I139 H140 F161S70-S164 WeakPolarHBondContact CB-OG 3.46Å; S70-S164 PolarHBondContact OG-OG 2.83Å; I139-S164 CarbonylContact O-C 3.49Å; I139-S164 WeakPolarHBondContact O-CA 3.35Å; I139-S164 WeakPolarHBondContact O-CB 3.44Å; H140-S164 PolarHBondContact O-N 3.45Å; F161-S164 WeakPolarHBondContact O-CB 3.26Å; F161-S164 PolarHBondContact O-N 3.19Å; F161-S164 PolarHBondContact O-OG 2.89Å
165T90.5Very high88.9Confident11 Ų1143.9 Ų43.97%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-148.2146.2172.5-166.90000110.8I139 V167 L174I139-T165 PolarHBondContact N-O 3.02Å; I139-T165 PolarHBondContact O-N 2.88Å; T165-V167 HydrophobicContact CG2-CG1 4.42Å; T165-L174 HydrophobicContact CG2-CD1 3.83Å; T165-L174 HydrophobicContact CG2-CD2 3.88Å
166R90.3Very high88.7Confident146 Ų14646.6 Ų46.655%0.55128%0.277SS*.EExtended strand (participates in β ladder)trans-88.3131.7168.5-165172-174.4179.6-2.1109.3N137 I138N137-R166 CarbonylContact O-C 3.57Å; N137-R166 VanDerWaalsContact O-CA 3.27Å; N137-R166 WeakPolarHBondContact O-CA 3.23Å; I138-R166 HydrophobicContact CG1-CB 4.42Å; I138-R166 HydrophobicContact CG1-CG 4.27Å
167V88.8Confident88.3Confident10 Ų1051.3 Ų51.36%0.06130%0.298CS..  trans-102.5148.3175.3-65.70000110.3N137 I139 T165 S169 L174N137-V167 HydrophobicContact CB-CG2 3.88Å; N137-V167 VanDerWaalsContact CB-O 3.26Å; N137-V167 WeakPolarHBondContact CB-O 3.48Å; N137-V167 WeakPolarHBondContact O-CG2 3.23Å; N137-V167 PolarHBondContact O-N 2.72Å; I139-V167 HydrophobicContact CD1-CG2 4.45Å; I139-V167 HydrophobicContact CG1-CG1 4.19Å; I139-V167 HydrophobicContact CG1-CG2 4.29Å; T165-V167 HydrophobicContact CG2-CG1 4.42Å; V167-S169 VanDerWaalsContact C-N 3.29Å; V167-S169 VanDerWaalsContact CG2-O 3.22Å; V167-S169 WeakPolarHBondContact CG2-O 3.29Å; V167-S169 PolarHBondContact O-N 3.47Å; V167-L174 HydrophobicContact CG1-CD1 4.33Å; V167-L174 HydrophobicContact CG1-CD2 4.04Å; V167-L174 HydrophobicContact CG1-CG 4.34Å
168A86.7Confident87.9Confident101 Ų10152 Ų5284%0.83530%0.302SS*.SBendtrans-66.3-36.7178.900000111.4
169S85.9Confident87.5Confident59 Ų5952.9 Ų52.941%0.41331%0.311SS..SBendtrans-148167.6169.672.90000110.4V167 G171 S172V167-S169 VanDerWaalsContact C-N 3.29Å; V167-S169 VanDerWaalsContact CG2-O 3.22Å; V167-S169 WeakPolarHBondContact CG2-O 3.29Å; V167-S169 PolarHBondContact O-N 3.47Å; S169-G171 PolarHBondContact O-N 2.93Å; S169-G171 VanDerWaalsContact O-N 3.09Å; S169-G171 PolarHBondContact OG-N 2.77Å; S169-S172 PolarHBondContact N-OG 3.11Å; S169-S172 VanDerWaalsContact N-OG 3.16Å; S169-S172 WeakPolarHBondContact O-CB 3.41Å; S169-S172 PolarHBondContact O-N 3.19Å; S169-S172 PolarHBondContact O-OG 3.42Å; S169-S172 PolarHBondContact OG-OG 3.28Å
170R76.1Confident87.3Confident126 Ų12653.7 Ų53.748%0.47532%0.316SS..THydrogen-bonded Turntrans-60.4-17.7175-65.6-176.6172-174.3-4.3113.9H134 N135H134-R170 PolarHBondContact O-NE 3.3Å; H134-R170 PolarHBondContact O-NH2 2.86Å; H134-R170 VanDerWaalsContact O-NH2 3.09Å; N135-R170 PolarHBondContact OD1-NH2 3.43Å
171G80.6Confident87.5Confident54 Ų5453.2 Ų53.256%0.55732%0.316SS*.THydrogen-bonded Turntrans-92.8-2.9176.300000114.4S169 A173S169-G171 PolarHBondContact O-N 2.93Å; S169-G171 VanDerWaalsContact O-N 3.09Å; S169-G171 PolarHBondContact OG-N 2.77Å; G171-A173 PolarHBondContact O-N 2.92Å
172S85.9Confident87.7Confident35 Ų3555.2 Ų55.225%0.24533%0.329CS..  trans-70.7123.3178.4-58.90000110.7S169S169-S172 PolarHBondContact N-OG 3.11Å; S169-S172 VanDerWaalsContact N-OG 3.16Å; S169-S172 WeakPolarHBondContact O-CB 3.41Å; S169-S172 PolarHBondContact O-N 3.19Å; S169-S172 PolarHBondContact O-OG 3.42Å; S169-S172 PolarHBondContact OG-OG 3.28Å
173A87.9Confident88.2Confident63 Ų6355 Ų5552%0.52132%0.323SS..EExtended strand (participates in β ladder)trans-75.8148.8175.900000111.4G171 Y194G171-A173 PolarHBondContact O-N 2.92Å; A173-Y194 CarbonylContact C-O 3.58Å; A173-Y194 WeakPolarHBondContact CA-O 3.35Å
174L88.7Confident88.7Confident23 Ų2351.7 Ų51.712%0.1231%0.309CS..EExtended strand (participates in β ladder)trans-118.1146.7174.5-62.2172.6000108.5T165 V167 S193 Y194T165-L174 HydrophobicContact CG2-CD1 3.83Å; T165-L174 HydrophobicContact CG2-CD2 3.88Å; V167-L174 HydrophobicContact CG1-CD1 4.33Å; V167-L174 HydrophobicContact CG1-CD2 4.04Å; V167-L174 HydrophobicContact CG1-CG 4.34Å; L174-S193 CarbonylContact O-C 3.43Å; L174-S193 WeakPolarHBondContact O-CA 3.28Å; L174-S193 WeakPolarHBondContact O-CB 3.45Å; L174-Y194 HydrophobicContact CB-CD1 4.43Å; L174-Y194 HydrophobicContact CB-CD2 4.32Å; L174-Y194 HydrophobicContact CB-CE1 3.95Å; L174-Y194 HydrophobicContact CB-CE2 3.83Å; L174-Y194 HydrophobicContact CD1-CE2 3.87Å; L174-Y194 HydrophobicContact CG-CE2 4.46Å; L174-Y194 PolarHBondContact N-O 2.97Å; L174-Y194 WeakPolarHBondContact O-CD1 2.88Å; L174-Y194 WeakPolarHBondContact O-CE1 3.26Å; L174-Y194 PolarHBondContact O-N 2.83Å
175D87.5Confident89Confident126 Ų12651.6 Ų51.667%0.67431%0.309SS*.  trans-118-6.3-174.957.94.9000113.1
176T85.1Confident89.3Confident58 Ų5851.2 Ų51.236%0.35631%0.307SS..  trans-93.6117.2-173.9-50.70000110.8C178 Y194T176-C178 PolarHBondContact O-N 2.88Å; T176-Y194 WeakPolarHBondContact O-CE1 3.44Å; T176-Y194 PolarHBondContact O-OH 3Å
177F87.5Confident89.5Confident100 Ų10044.7 Ų44.744%0.43928%0.282SS..  trans-73.2120168.8-174.9-89.2000110.5L188 F189F177-L188 HydrophobicContact CD2-CB 3.61Å; F177-L188 HydrophobicContact CD2-CG 4.49Å; F177-L188 WeakPolarHBondContact CD2-O 3.44Å; F177-L188 HydrophobicContact CE2-CB 3.53Å; F177-L188 HydrophobicContact CE2-CD1 4.42Å; F177-L188 WeakPolarHBondContact CE2-O 3.22Å; F177-F189 HydrophobicContact CE2-CD1 4.04Å; F177-F189 AromaticContact CE2-CE1 3.86Å; F177-F189 HydrophobicContact CE2-CE1 3.86Å; F177-F189 HydrophobicContact CE2-CZ 4.21Å; F177-F189 HydrophobicContact CZ-CD1 4.34Å; F177-F189 AromaticContact CZ-CE1 3.73Å; F177-F189 HydrophobicContact CZ-CE1 3.73Å; F177-F189 HydrophobicContact CZ-CZ 4.07Å
178C87.5Confident89.8Confident15 Ų1545 Ų4510%0.10128%0.284CS..  trans-151171.3176.259.10000110.9F163 T176F163-C178 HydrophobicContact CB-CB 4.47Å; F163-C178 HydrophobicContact CD1-CB 3.55Å; F163-C178 HydrophobicContact CE1-CB 3.98Å; F163-C178 HydrophobicContact CG-CB 4.14Å; T176-C178 PolarHBondContact O-N 2.88Å
179G88Confident90Very high18 Ų1842.1 Ų42.119%0.18625%0.252CS..SBendtrans92.8178.5-178.700000114.2D142D142-G179 VanDerWaalsContact OD1-CA 3.24Å; D142-G179 WeakPolarHBondContact OD1-CA 3.43Å
180S91.7Very high90.1Very high28 Ų2845.7 Ų45.720%0.19626%0.257CS..  trans-85.5121.5-170.8-57.40000111.5D142 K144 P182 Y183 A184D142-S180 PolarHBondContact OD1-N 3.18Å; D142-S180 PolarHBondContact OD1-OG 3.34Å; K144-S180 WeakPolarHBondContact CD-OG 3.38Å; K144-S180 PolarHBondContact NZ-OG 3.42Å; S180-P182 VanDerWaalsContact C-CD 3.42Å; S180-P182 VanDerWaalsContact O-N 3.11Å; S180-Y183 PolarHBondContact O-N 2.89Å; S180-A184 PolarHBondContact O-N 2.86Å
181P93.6Very high90.7Very high47 Ų4742.5 Ų42.531%0.30525%0.249SC..G310 helixtrans-52-37.8-170.1-2833.1000116.8Y183 A184 M223 L226 I230P181-Y183 PolarHBondContact O-N 2.87Å; P181-A184 WeakPolarHBondContact O-CB 3.41Å; P181-A184 PolarHBondContact O-N 2.92Å; P181-M223 HydrophobicContact CB-SD 4.33Å; P181-L226 HydrophobicContact CB-CD2 4.38Å; P181-I230 WeakPolarHBondContact O-CD1 3.46Å
182P95.1Very high90.9Very high44 Ų4447.4 Ų47.429%0.28626%0.263SS..G310 helixtrans-64.4-20.2177.3-24.936.8000115S180 M216S180-P182 VanDerWaalsContact C-CD 3.42Å; S180-P182 VanDerWaalsContact O-N 3.11Å; P182-M216 HydrophobicContact CB-CE 3.54Å
183Y97.5Very high91.1Very high14 Ų1448.8 Ų48.86%0.05527%0.272CS..G310 helixtrans-104.2-4.7178.9-61.3-93.7000112.4K144 A145 S180 P181 W202 V206 L207 M216K144-Y183 HydrophobicContact CB-CD1 4.25Å; K144-Y183 HydrophobicContact CB-CD2 3.7Å; K144-Y183 HydrophobicContact CB-CE1 4.1Å; K144-Y183 HydrophobicContact CB-CE2 3.51Å; K144-Y183 HydrophobicContact CB-CG 4.06Å; A145-Y183 WeakPolarHBondContact CB-OH 3.38Å; A145-Y183 PolarHBondContact N-OH 2.86Å; S180-Y183 PolarHBondContact O-N 2.89Å; P181-Y183 PolarHBondContact O-N 2.87Å; Y183-W202 VanDerWaalsContact O-CD1 3.3Å; Y183-V206 HydrophobicContact CD1-CB 3.9Å; Y183-V206 HydrophobicContact CD1-CG1 3.48Å; Y183-V206 VanDerWaalsContact CD1-CG1 3.48Å; Y183-V206 HydrophobicContact CE1-CB 4.44Å; Y183-V206 HydrophobicContact CE1-CG1 3.76Å; Y183-V206 HydrophobicContact CG-CG1 4.15Å; Y183-L207 HydrophobicContact CD1-CG 4.33Å; Y183-L207 HydrophobicContact CE1-CD2 3.85Å; Y183-L207 HydrophobicContact CE1-CG 3.95Å; Y183-M216 HydrophobicContact CD1-CE 4.39Å; Y183-M216 HydrophobicContact CD2-CE 4.2Å; Y183-M216 HydrophobicContact CE1-CE 3.97Å; Y183-M216 HydrophobicContact CE2-CE 3.78Å; Y183-M216 HydrophobicContact CG-CE 4.5Å
184A96.5Very high91.4Very high5 Ų546.4 Ų46.44%0.04125%0.25CC..  trans-70.9136.8-176.700000111.4S180 P181 L188 F189 W202 I230S180-A184 PolarHBondContact O-N 2.86Å; P181-A184 WeakPolarHBondContact O-CB 3.41Å; P181-A184 PolarHBondContact O-N 2.92Å; A184-L188 HydrophobicContact CB-CD1 3.9Å; A184-F189 HydrophobicContact CB-CE2 3.64Å; A184-F189 HydrophobicContact CB-CZ 3.71Å; A184-W202 PolarHBondContact O-NE1 2.91Å; A184-I230 WeakPolarHBondContact O-CG2 3.38Å
185A97.1Very high91.6Very high0 Ų049 Ų490%026%0.264CS..  trans-74.4153177.900000112E187 L188 F189 V199 W202A185-E187 VanDerWaalsContact C-N 3.32Å; A185-E187 VanDerWaalsContact CB-CD 3.48Å; A185-E187 HydrophobicContact CB-CG 4.39Å; A185-E187 WeakPolarHBondContact CB-OE2 3.46Å; A185-E187 PolarHBondContact O-N 3.32Å; A185-L188 WeakPolarHBondContact O-CB 3.12Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-L188 VanDerWaalsContact O-N 3.14Å; A185-F189 WeakPolarHBondContact O-CD2 3.35Å; A185-V199 HydrophobicContact CB-CB 4.41Å; A185-V199 HydrophobicContact CB-CG1 4.26Å; A185-V199 HydrophobicContact CB-CG2 4.18Å; A185-W202 VanDerWaalsContact CA-CD1 3.47Å; A185-W202 HydrophobicContact CB-CB 3.74Å; A185-W202 HydrophobicContact CB-CD2 4.29Å; A185-W202 HydrophobicContact CB-CG 3.69Å
186P96.8Very high91.9Very high4 Ų443 Ų433%0.02623%0.231CC..G310 helixtrans-53.4-41.4-179.1-29.636.7000114.9L188 F189 R190 W202 I230 M231P186-L188 PolarHBondContact O-N 3.32Å; P186-F189 PolarHBondContact O-N 3.47Å; P186-R190 PolarHBondContact O-N 2.84Å; P186-W202 HydrophobicContact CG-CE3 4.28Å; P186-W202 HydrophobicContact CG-CH2 3.57Å; P186-W202 HydrophobicContact CG-CZ2 3.92Å; P186-W202 HydrophobicContact CG-CZ3 3.78Å; P186-I230 HydrophobicContact CB-CG2 4.48Å; P186-I230 HydrophobicContact CG-CG2 3.97Å; P186-M231 HydrophobicContact CB-SD 3.82Å
187E95.8Very high92.4Very high8 Ų841.3 Ų41.34%0.03722%0.221CC..G310 helixtrans-59.3-31.6-179.559.9-88.4-142.800112.6A185 F189 R190 D191 V199 R260A185-E187 VanDerWaalsContact C-N 3.32Å; A185-E187 VanDerWaalsContact CB-CD 3.48Å; A185-E187 HydrophobicContact CB-CG 4.39Å; A185-E187 WeakPolarHBondContact CB-OE2 3.46Å; A185-E187 PolarHBondContact O-N 3.32Å; E187-F189 PolarHBondContact O-N 3.08Å; E187-F189 VanDerWaalsContact O-N 3.17Å; E187-R190 PolarHBondContact O-N 2.9Å; E187-R190 VanDerWaalsContact O-N 3.09Å; E187-D191 VanDerWaalsContact CB-OD2 3.31Å; E187-D191 WeakPolarHBondContact CB-OD2 3.46Å; E187-D191 PolarHBondContact O-N 2.85Å; E187-V199 HydrophobicContact CG-CG2 4.28Å; E187-R260 IonicContact OE1-CZ 2.75Å; E187-R260 IonicContact OE1-NH1 3.71Å; E187-R260 PolarHBondContact OE1-NH1 2.94Å; E187-R260 IonicContact OE1-NH2 2.69Å; E187-R260 PolarHBondContact OE1-NH2 3.26Å; E187-R260 IonicContact OE2-CZ 3.68Å; E187-R260 IonicContact OE2-NH1 3.64Å; E187-R260 PolarHBondContact OE2-NH1 2.88Å; E187-R260 IonicContact OE2-NH2 3.55Å; E187-R260 PolarHBondContact OE2-NH2 3.05Å
188L94.5Very high92.8Very high17 Ų1737.8 Ų37.89%0.08921%0.208CC..G310 helixtrans-63.3-23.4175.6-66.4178.3000112.3F177 A184 A185 P186 Y194 V199F177-L188 HydrophobicContact CD2-CB 3.61Å; F177-L188 HydrophobicContact CD2-CG 4.49Å; F177-L188 WeakPolarHBondContact CD2-O 3.44Å; F177-L188 HydrophobicContact CE2-CB 3.53Å; F177-L188 HydrophobicContact CE2-CD1 4.42Å; F177-L188 WeakPolarHBondContact CE2-O 3.22Å; A184-L188 HydrophobicContact CB-CD1 3.9Å; A185-L188 WeakPolarHBondContact O-CB 3.12Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-L188 VanDerWaalsContact O-N 3.14Å; P186-L188 PolarHBondContact O-N 3.32Å; L188-Y194 HydrophobicContact CD2-CD1 3.53Å; L188-Y194 HydrophobicContact CD2-CD2 3.95Å; L188-Y194 HydrophobicContact CD2-CE1 3.34Å; L188-Y194 HydrophobicContact CD2-CE2 3.78Å; L188-Y194 HydrophobicContact CD2-CG 3.84Å; L188-Y194 VanDerWaalsContact CD2-CZ 3.47Å; L188-V199 HydrophobicContact CD1-CG1 3.82Å; L188-V199 HydrophobicContact CD2-CG2 4.32Å; L188-V199 HydrophobicContact CG-CG1 4.39Å; L188-V199 HydrophobicContact CG-CG2 4.31Å
189F91.6Very high93.2Very high40 Ų4037.3 Ų37.318%0.17521%0.205CC..G310 helixtrans-98.7-9.2177.3-59.7-75.9000113.6F177 A184 A185 P186 E187 R227 I230 M231F177-F189 HydrophobicContact CE2-CD1 4.04Å; F177-F189 AromaticContact CE2-CE1 3.86Å; F177-F189 HydrophobicContact CE2-CE1 3.86Å; F177-F189 HydrophobicContact CE2-CZ 4.21Å; F177-F189 HydrophobicContact CZ-CD1 4.34Å; F177-F189 AromaticContact CZ-CE1 3.73Å; F177-F189 HydrophobicContact CZ-CE1 3.73Å; F177-F189 HydrophobicContact CZ-CZ 4.07Å; A184-F189 HydrophobicContact CB-CE2 3.64Å; A184-F189 HydrophobicContact CB-CZ 3.71Å; A185-F189 WeakPolarHBondContact O-CD2 3.35Å; P186-F189 PolarHBondContact O-N 3.47Å; E187-F189 PolarHBondContact O-N 3.08Å; E187-F189 VanDerWaalsContact O-N 3.17Å; F189-R227 HydrophobicContact CB-CG 4.05Å; F189-R227 HydrophobicContact CD1-CG 4.04Å; F189-R227 HydrophobicContact CG-CG 3.99Å; F189-R227 PolarHBondContact O-NH2 3.44Å; F189-I230 HydrophobicContact CD2-CG2 4.14Å; F189-I230 HydrophobicContact CE2-CD1 3.9Å; F189-I230 HydrophobicContact CE2-CG2 3.95Å; F189-I230 HydrophobicContact CZ-CD1 4.19Å; F189-M231 HydrophobicContact CB-SD 3.96Å
190R88.1Confident93.7Very high135 Ų13536.5 Ų36.551%0.50920%0.196SC..THydrogen-bonded Turntrans-115-41.4-170.8-171-173.462.6-175.6-5.8112.7P186 E187 M231P186-R190 PolarHBondContact O-N 2.84Å; E187-R190 PolarHBondContact O-N 2.9Å; E187-R190 VanDerWaalsContact O-N 3.09Å; R190-M231 HydrophobicContact CB-CE 3.71Å; R190-M231 HydrophobicContact CB-SD 4.35Å; R190-M231 HydrophobicContact CG-CE 4Å
191D87.9Confident94Very high58 Ų5835.5 Ų35.531%0.3119%0.189SC..  trans-107.4143.9-164.3-55.4-28.9000109.7E187 S193E187-D191 VanDerWaalsContact CB-OD2 3.31Å; E187-D191 WeakPolarHBondContact CB-OD2 3.46Å; E187-D191 PolarHBondContact O-N 2.85Å; D191-S193 VanDerWaalsContact CB-O 3.27Å; D191-S193 WeakPolarHBondContact CB-O 3.17Å; D191-S193 PolarHBondContact O-N 3.07Å
192D84.3Confident94.2Very high158 Ų15833.2 Ų33.285%0.84517%0.174SC*.SBendtrans-70.4-19.5174.8-63.6-37.9000111.8
193S90.9Very high94.4Very high63 Ų6331.4 Ų31.444%0.44116%0.163SC..SBendtrans-148.1156174.269.50000112L174 D191L174-S193 CarbonylContact O-C 3.43Å; L174-S193 WeakPolarHBondContact O-CA 3.28Å; L174-S193 WeakPolarHBondContact O-CB 3.45Å; D191-S193 VanDerWaalsContact CB-O 3.27Å; D191-S193 WeakPolarHBondContact CB-O 3.17Å; D191-S193 PolarHBondContact O-N 3.07Å
194Y92.8Very high94.4Very high14 Ų1430.7 Ų30.76%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-145.4158.7-174.862.3-85.4000112.3R141 A173 L174 T176 L188 V199R141-Y194 PolarHBondContact NH1-OH 3.47Å; A173-Y194 CarbonylContact C-O 3.58Å; A173-Y194 WeakPolarHBondContact CA-O 3.35Å; L174-Y194 HydrophobicContact CB-CD1 4.43Å; L174-Y194 HydrophobicContact CB-CD2 4.32Å; L174-Y194 HydrophobicContact CB-CE1 3.95Å; L174-Y194 HydrophobicContact CB-CE2 3.83Å; L174-Y194 HydrophobicContact CD1-CE2 3.87Å; L174-Y194 HydrophobicContact CG-CE2 4.46Å; L174-Y194 PolarHBondContact N-O 2.97Å; L174-Y194 WeakPolarHBondContact O-CD1 2.88Å; L174-Y194 WeakPolarHBondContact O-CE1 3.26Å; L174-Y194 PolarHBondContact O-N 2.83Å; T176-Y194 WeakPolarHBondContact O-CE1 3.44Å; T176-Y194 PolarHBondContact O-OH 3Å; L188-Y194 HydrophobicContact CD2-CD1 3.53Å; L188-Y194 HydrophobicContact CD2-CD2 3.95Å; L188-Y194 HydrophobicContact CD2-CE1 3.34Å; L188-Y194 HydrophobicContact CD2-CE2 3.78Å; L188-Y194 HydrophobicContact CD2-CG 3.84Å; L188-Y194 VanDerWaalsContact CD2-CZ 3.47Å; Y194-V199 HydrophobicContact CD2-CG2 3.51Å; Y194-V199 HydrophobicContact CE2-CG2 3.88Å; Y194-V199 HydrophobicContact CG-CG2 4.38Å
195L93.6Very high94.5Very high78 Ų7830.5 Ų30.541%0.40816%0.158SC..EExtended strand (participates in β ladder)trans-81.9134.2168.5-64.6179.3000109.9P198L195-P198 HydrophobicContact CB-CG 4.11Å; L195-P198 WeakPolarHBondContact O-CD 3.22Å
196G93.1Very high94.6Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-63.8-55.9-176.500000115.3I139 V199I139-G196 WeakPolarHBondContact CG2-O 3.41Å; G196-V199 WeakPolarHBondContact O-CB 3.42Å; G196-V199 PolarHBondContact O-N 3.45Å
197P95.7Very high94.7Very high22 Ų2230.3 Ų30.314%0.14316%0.157CC..Hα-helixtrans-54.9-42.2-173.2-21.527.5000115.2I139 V199 D200 V201I139-P197 HydrophobicContact CD1-CB 4.32Å; I139-P197 HydrophobicContact CD1-CG 3.62Å; P197-V199 PolarHBondContact O-N 2.91Å; P197-D200 PolarHBondContact O-N 3.42Å; P197-V201 WeakPolarHBondContact O-CG2 3.34Å; P197-V201 PolarHBondContact O-N 3.07Å; P197-V201 VanDerWaalsContact O-N 3.15Å
198P96.8Very high94.8Very high25 Ų2530 Ų3016%0.16216%0.155CC..Hα-helixtrans-60.1-27176.8-27.136.4000115.2L195 V201 W202 A257 R260L195-P198 HydrophobicContact CB-CG 4.11Å; L195-P198 WeakPolarHBondContact O-CD 3.22Å; P198-V201 WeakPolarHBondContact O-CB 3.48Å; P198-V201 PolarHBondContact O-N 3.22Å; P198-W202 PolarHBondContact O-N 3.42Å; P198-A257 HydrophobicContact CB-CB 3.8Å; P198-A257 HydrophobicContact CG-CB 4.33Å; P198-R260 PolarHBondContact O-NH1 2.86Å
199V96.8Very high95Very high5 Ų529.5 Ų29.53%0.0315%0.153CC..Hα-helixtrans-69.5-44.6177.8175.10000110.8A185 E187 L188 Y194 G196 P197 V201 W202 A203A185-V199 HydrophobicContact CB-CB 4.41Å; A185-V199 HydrophobicContact CB-CG1 4.26Å; A185-V199 HydrophobicContact CB-CG2 4.18Å; E187-V199 HydrophobicContact CG-CG2 4.28Å; L188-V199 HydrophobicContact CD1-CG1 3.82Å; L188-V199 HydrophobicContact CD2-CG2 4.32Å; L188-V199 HydrophobicContact CG-CG1 4.39Å; L188-V199 HydrophobicContact CG-CG2 4.31Å; Y194-V199 HydrophobicContact CD2-CG2 3.51Å; Y194-V199 HydrophobicContact CE2-CG2 3.88Å; Y194-V199 HydrophobicContact CG-CG2 4.38Å; G196-V199 WeakPolarHBondContact O-CB 3.42Å; G196-V199 PolarHBondContact O-N 3.45Å; P197-V199 PolarHBondContact O-N 2.91Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 3.41Å; V199-W202 PolarHBondContact O-N 3.38Å; V199-A203 PolarHBondContact O-N 3.22Å
200D97.6Very high95.3Very high1 Ų128.1 Ų28.11%0.00515%0.147CC..Hα-helixtrans-63-37.6174.2-75.2-14.8000111.1V130 H134 I139 H140 R141 L143 P197 A203 M204V130-D200 HydrophobicContact CG1-CB 4.37Å; H134-D200 IonicContact CD2-OD2 2.72Å; H134-D200 IonicContact CE1-OD2 3.46Å; H134-D200 IonicContact NE2-OD2 3.38Å; H134-D200 PolarHBondContact NE2-OD2 2.84Å; I139-D200 VanDerWaalsContact CG2-OD2 3.29Å; I139-D200 WeakPolarHBondContact CG2-OD2 3.23Å; H140-D200 PolarHBondContact N-OD2 3.33Å; R141-D200 WeakPolarHBondContact CA-OD1 3.49Å; R141-D200 PolarHBondContact N-OD1 2.92Å; L143-D200 HydrophobicContact CD1-CB 3.83Å; P197-D200 PolarHBondContact O-N 3.42Å; D200-A203 PolarHBondContact O-N 3.32Å; D200-M204 WeakPolarHBondContact O-CG 3.47Å; D200-M204 PolarHBondContact O-N 2.54Å
201V98.1Very high95.8Very high7 Ų721.7 Ų21.74%0.04212%0.122CC..Hα-helixtrans-59.6-46.7174.7168.40000111.4P197 P198 V199 A203 M204 G205 I252 R260 Y261 V263 M266P197-V201 WeakPolarHBondContact O-CG2 3.34Å; P197-V201 PolarHBondContact O-N 3.07Å; P197-V201 VanDerWaalsContact O-N 3.15Å; P198-V201 WeakPolarHBondContact O-CB 3.48Å; P198-V201 PolarHBondContact O-N 3.22Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 3.41Å; V201-A203 PolarHBondContact O-N 2.92Å; V201-M204 HydrophobicContact CB-CE 4.36Å; V201-M204 HydrophobicContact CG2-CE 3.98Å; V201-M204 WeakPolarHBondContact O-CB 3.39Å; V201-M204 PolarHBondContact O-N 3.23Å; V201-G205 PolarHBondContact O-N 3.05Å; V201-G205 VanDerWaalsContact O-N 3.14Å; V201-I252 HydrophobicContact CG1-CG2 3.9Å; V201-I252 WeakPolarHBondContact O-CG2 3.49Å; V201-R260 HydrophobicContact CG1-CB 4.17Å; V201-Y261 WeakPolarHBondContact CG1-O 3.29Å; V201-V263 HydrophobicContact CG2-CG2 4.02Å; V201-M266 HydrophobicContact CG1-SD 4.27Å
202W98.5Very high96.3Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-59.4-47.2175.3175.3-86000112Y183 A184 A185 P186 P198 V199 M204 G205 V206 F218 I230 A233 L253 K254Y183-W202 VanDerWaalsContact O-CD1 3.3Å; A184-W202 PolarHBondContact O-NE1 2.91Å; A185-W202 VanDerWaalsContact CA-CD1 3.47Å; A185-W202 HydrophobicContact CB-CB 3.74Å; A185-W202 HydrophobicContact CB-CD2 4.29Å; A185-W202 HydrophobicContact CB-CG 3.69Å; P186-W202 HydrophobicContact CG-CE3 4.28Å; P186-W202 HydrophobicContact CG-CH2 3.57Å; P186-W202 HydrophobicContact CG-CZ2 3.92Å; P186-W202 HydrophobicContact CG-CZ3 3.78Å; P198-W202 PolarHBondContact O-N 3.42Å; V199-W202 PolarHBondContact O-N 3.38Å; W202-M204 VanDerWaalsContact C-N 3.28Å; W202-M204 PolarHBondContact O-N 3.44Å; W202-G205 WeakPolarHBondContact O-CA 3.38Å; W202-G205 PolarHBondContact O-N 3.44Å; W202-V206 PolarHBondContact O-N 3Å; W202-F218 AromaticContact CE2-CE2 3.98Å; W202-F218 HydrophobicContact CH2-CE2 4.01Å; W202-F218 AromaticContact CH2-CZ 3.74Å; W202-F218 HydrophobicContact CH2-CZ 3.74Å; W202-F218 HydrophobicContact CZ2-CD2 4.23Å; W202-F218 AromaticContact CZ2-CE2 3.29Å; W202-F218 HydrophobicContact CZ2-CE2 3.29Å; W202-F218 AromaticContact CZ2-CZ 3.5Å; W202-F218 HydrophobicContact CZ2-CZ 3.5Å; W202-I230 HydrophobicContact CZ2-CG2 3.94Å; W202-A233 HydrophobicContact CH2-CB 4.12Å; W202-L253 HydrophobicContact CD2-CD2 3.82Å; W202-L253 HydrophobicContact CE3-CD2 3.92Å; W202-L253 HydrophobicContact CG-CD2 4.32Å; W202-L253 HydrophobicContact CH2-CD2 4.46Å; W202-L253 HydrophobicContact CZ2-CD2 4.36Å; W202-L253 HydrophobicContact CZ3-CB 4.28Å; W202-L253 HydrophobicContact CZ3-CD2 4.25Å; W202-K254 WeakPolarHBondContact CZ3-O 3.24Å
203A98.4Very high96.9Very high5 Ų512.6 Ų12.64%0.0418%0.075CC..Hα-helixtrans-59.9-37.2178.500000112.3L143 V199 D200 V201 G205 V206 L207L143-A203 HydrophobicContact CB-CB 3.84Å; V199-A203 PolarHBondContact O-N 3.22Å; D200-A203 PolarHBondContact O-N 3.32Å; V201-A203 PolarHBondContact O-N 2.92Å; A203-G205 VanDerWaalsContact C-N 3.32Å; A203-G205 PolarHBondContact O-N 3.38Å; A203-V206 PolarHBondContact O-N 2.95Å; A203-L207 WeakPolarHBondContact O-CB 3.25Å; A203-L207 WeakPolarHBondContact O-CG 3.41Å; A203-L207 PolarHBondContact O-N 3.39Å
204M98.1Very high97.3Very high0 Ų010.8 Ų10.80%07%0.066CC..Hα-helixtrans-62-36.9171.1-73-168.4-66.200112.8F123 I126 L127 V130 L143 D200 V201 W202 L207 L208 V263 M266F123-M204 HydrophobicContact CE2-CB 4.12Å; F123-M204 WeakPolarHBondContact CE2-O 3.47Å; F123-M204 HydrophobicContact CZ-CB 4.43Å; I126-M204 HydrophobicContact CG2-CG 4.39Å; I126-M204 HydrophobicContact CG2-SD 4.45Å; L127-M204 HydrophobicContact CD1-CE 3.91Å; L127-M204 HydrophobicContact CD1-SD 3.81Å; V130-M204 HydrophobicContact CB-CE 4.39Å; V130-M204 HydrophobicContact CB-SD 3.9Å; V130-M204 HydrophobicContact CG1-CE 3.86Å; V130-M204 HydrophobicContact CG1-SD 3.99Å; V130-M204 HydrophobicContact CG2-CG 4.41Å; V130-M204 HydrophobicContact CG2-SD 3.82Å; L143-M204 HydrophobicContact CD1-CG 4.12Å; D200-M204 WeakPolarHBondContact O-CG 3.47Å; D200-M204 PolarHBondContact O-N 2.54Å; V201-M204 HydrophobicContact CB-CE 4.36Å; V201-M204 HydrophobicContact CG2-CE 3.98Å; V201-M204 WeakPolarHBondContact O-CB 3.39Å; V201-M204 PolarHBondContact O-N 3.23Å; W202-M204 VanDerWaalsContact C-N 3.28Å; W202-M204 PolarHBondContact O-N 3.44Å; M204-L207 PolarHBondContact O-N 3.38Å; M204-L208 WeakPolarHBondContact O-CB 3.49Å; M204-L208 PolarHBondContact O-N 3.35Å; M204-V263 HydrophobicContact CE-CG2 4.3Å; M204-M266 HydrophobicContact CB-CE 4.36Å; M204-M266 HydrophobicContact CE-CE 3.74Å; M204-M266 HydrophobicContact CE-SD 4.01Å; M204-M266 HydrophobicContact SD-CE 4.25Å
205G98.4Very high97.4Very high0 Ų014 Ų140%09%0.087CC..Hα-helixtrans-64.5-41.1174.500000112.5V201 W202 A203 L208 F209 I252V201-G205 PolarHBondContact O-N 3.05Å; V201-G205 VanDerWaalsContact O-N 3.14Å; W202-G205 WeakPolarHBondContact O-CA 3.38Å; W202-G205 PolarHBondContact O-N 3.44Å; A203-G205 VanDerWaalsContact C-N 3.32Å; A203-G205 PolarHBondContact O-N 3.38Å; G205-L208 PolarHBondContact O-N 3.03Å; G205-F209 WeakPolarHBondContact O-CB 3.23Å; G205-F209 PolarHBondContact O-N 3.49Å; G205-I252 VanDerWaalsContact CA-CG2 3.47Å
206V98.7Very high97.6Very high0 Ų012.5 Ų12.50%08%0.078CC..Hα-helixtrans-63.7-45.3174.51770000110.7Y183 W202 A203 F209 F210 M216 P217 F218 L253Y183-V206 HydrophobicContact CD1-CB 3.9Å; Y183-V206 HydrophobicContact CD1-CG1 3.48Å; Y183-V206 VanDerWaalsContact CD1-CG1 3.48Å; Y183-V206 HydrophobicContact CE1-CB 4.44Å; Y183-V206 HydrophobicContact CE1-CG1 3.76Å; Y183-V206 HydrophobicContact CG-CG1 4.15Å; W202-V206 PolarHBondContact O-N 3Å; A203-V206 PolarHBondContact O-N 2.95Å; V206-F209 PolarHBondContact O-N 2.84Å; V206-F210 WeakPolarHBondContact O-CB 3.41Å; V206-F210 PolarHBondContact O-N 3.48Å; V206-M216 HydrophobicContact CG1-CE 3.47Å; V206-M216 VanDerWaalsContact CG1-CE 3.47Å; V206-M216 HydrophobicContact CG1-SD 4.42Å; V206-P217 HydrophobicContact CB-CG 4.27Å; V206-P217 HydrophobicContact CG1-CG 3.91Å; V206-P217 HydrophobicContact CG2-CG 4.14Å; V206-F218 HydrophobicContact CG2-CD2 4.37Å; V206-F218 HydrophobicContact CG2-CE2 4.12Å; V206-L253 HydrophobicContact CG2-CD2 4Å
207L98.3Very high97.8Very high1 Ų113.1 Ų13.11%0.0058%0.082CC..Hα-helixtrans-58.8-48.2174.6-81.9170.4000112.2L104 L143 A145 V148 Y183 A203 M204 F209 F210 M211L104-L207 HydrophobicContact CD2-CD2 4.18Å; L143-L207 HydrophobicContact CB-CD1 4.29Å; A145-L207 HydrophobicContact CB-CD2 3.94Å; V148-L207 HydrophobicContact CG2-CD1 4.4Å; Y183-L207 HydrophobicContact CD1-CG 4.33Å; Y183-L207 HydrophobicContact CE1-CD2 3.85Å; Y183-L207 HydrophobicContact CE1-CG 3.95Å; A203-L207 WeakPolarHBondContact O-CB 3.25Å; A203-L207 WeakPolarHBondContact O-CG 3.41Å; A203-L207 PolarHBondContact O-N 3.39Å; M204-L207 PolarHBondContact O-N 3.38Å; L207-F209 VanDerWaalsContact C-N 3.33Å; L207-F209 PolarHBondContact O-N 3.33Å; L207-F210 PolarHBondContact O-N 3.2Å; L207-M211 WeakPolarHBondContact O-CG 3.4Å; L207-M211 PolarHBondContact O-N 3.14Å
208L98.4Very high97.9Very high0 Ų012.2 Ų12.20%08%0.076CC..Hα-helixtrans-59.2-46.5178.6177.358.9000111.4F123 M204 G205 F210 M211 V212 L248 I249 I252 W271F123-L208 HydrophobicContact CD2-CB 4.02Å; F123-L208 HydrophobicContact CD2-CD1 4.15Å; F123-L208 HydrophobicContact CE1-CD2 4.35Å; F123-L208 HydrophobicContact CE2-CB 3.71Å; F123-L208 HydrophobicContact CE2-CD1 4.49Å; F123-L208 HydrophobicContact CE2-CD2 4.34Å; F123-L208 HydrophobicContact CE2-CG 4.4Å; F123-L208 HydrophobicContact CG-CD1 4.17Å; F123-L208 HydrophobicContact CZ-CB 4.27Å; F123-L208 HydrophobicContact CZ-CD2 4.1Å; M204-L208 WeakPolarHBondContact O-CB 3.49Å; M204-L208 PolarHBondContact O-N 3.35Å; G205-L208 PolarHBondContact O-N 3.03Å; L208-F210 PolarHBondContact O-N 2.83Å; L208-M211 HydrophobicContact CB-CE 4.41Å; L208-M211 HydrophobicContact CD1-CE 4.17Å; L208-M211 PolarHBondContact O-N 2.84Å; L208-V212 HydrophobicContact CD1-CG1 4.1Å; L208-V212 WeakPolarHBondContact O-CG2 3.41Å; L208-V212 PolarHBondContact O-N 2.86Å; L208-V212 VanDerWaalsContact O-N 3.16Å; L208-L248 HydrophobicContact CD2-CB 4.46Å; L208-L248 HydrophobicContact CD2-CD2 3.56Å; L208-L248 HydrophobicContact CD2-CG 3.82Å; L208-I249 HydrophobicContact CD2-CG1 3.67Å; L208-I249 HydrophobicContact CG-CD1 4.32Å; L208-I249 HydrophobicContact CG-CG1 3.9Å; L208-I252 HydrophobicContact CD2-CD1 4.33Å; L208-W271 HydrophobicContact CD1-CE3 4.46Å; L208-W271 HydrophobicContact CD1-CH2 3.46Å; L208-W271 VanDerWaalsContact CD1-CH2 3.46Å; L208-W271 HydrophobicContact CD1-CZ2 4.24Å; L208-W271 HydrophobicContact CD1-CZ3 3.6Å
209F98.7Very high97.6Very high7 Ų721.2 Ų21.23%0.03111%0.107CC..Hα-helixtrans-57.1-51.6175.4-172.4-77.6000110.2G205 V206 L207 M211 V212 T213 T215 P217 Y235 I237 I249G205-F209 WeakPolarHBondContact O-CB 3.23Å; G205-F209 PolarHBondContact O-N 3.49Å; V206-F209 PolarHBondContact O-N 2.84Å; L207-F209 VanDerWaalsContact C-N 3.33Å; L207-F209 PolarHBondContact O-N 3.33Å; F209-M211 VanDerWaalsContact C-N 3.31Å; F209-M211 PolarHBondContact O-N 2.9Å; F209-V212 PolarHBondContact O-N 3.45Å; F209-T213 HydrophobicContact CD1-CG2 3.91Å; F209-T213 VanDerWaalsContact CD1-OG1 3.29Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.46Å; F209-T213 HydrophobicContact CD2-CG2 4.34Å; F209-T213 HydrophobicContact CE1-CG2 3.69Å; F209-T213 VanDerWaalsContact CE1-OG1 3.23Å; F209-T213 WeakPolarHBondContact CE1-OG1 3.4Å; F209-T213 HydrophobicContact CE2-CG2 4.15Å; F209-T213 HydrophobicContact CG-CG2 4.23Å; F209-T213 HydrophobicContact CZ-CG2 3.82Å; F209-T213 WeakPolarHBondContact O-CB 3.33Å; F209-T213 WeakPolarHBondContact O-CG2 3.26Å; F209-T213 PolarHBondContact O-N 2.87Å; F209-T213 PolarHBondContact O-OG1 3.44Å; F209-T215 WeakPolarHBondContact CD1-O 3.49Å; F209-T215 VanDerWaalsContact CE1-O 3.3Å; F209-T215 WeakPolarHBondContact CE1-O 3.44Å; F209-P217 HydrophobicContact CB-CB 4.28Å; F209-P217 HydrophobicContact CB-CG 4.15Å; F209-P217 HydrophobicContact CD1-CB 3.73Å; F209-P217 HydrophobicContact CD1-CG 4.07Å; F209-P217 HydrophobicContact CD2-CB 3.96Å; F209-P217 HydrophobicContact CE1-CB 3.97Å; F209-P217 HydrophobicContact CE2-CB 4.19Å; F209-P217 HydrophobicContact CG-CB 3.73Å; F209-P217 HydrophobicContact CG-CG 4.08Å; F209-P217 HydrophobicContact CZ-CB 4.19Å; F209-Y235 HydrophobicContact CD2-CD2 4.32Å; F209-Y235 AromaticContact CE2-CD2 4Å; F209-Y235 HydrophobicContact CE2-CD2 4Å; F209-I237 HydrophobicContact CD2-CG1 4.46Å; F209-I237 HydrophobicContact CE2-CG1 4.13Å; F209-I249 HydrophobicContact CB-CD1 4.5Å; F209-I249 HydrophobicContact CD2-CD1 4.36Å; F209-I249 HydrophobicContact CD2-CG2 4.18Å
210F98.5Very high97.5Very high11 Ų1122.3 Ų22.35%0.04812%0.117CC..Hα-helixtrans-58.5-40.5-179.5-176.9-130.5000112.8I108 A145 V206 L207 L208 V212 G214 T215 M216I108-F210 HydrophobicContact CB-CE1 4.01Å; I108-F210 HydrophobicContact CB-CE2 4.49Å; I108-F210 HydrophobicContact CB-CZ 3.86Å; I108-F210 HydrophobicContact CD1-CD1 3.6Å; I108-F210 HydrophobicContact CD1-CE1 3.62Å; I108-F210 HydrophobicContact CD1-CG 4.2Å; I108-F210 HydrophobicContact CD1-CZ 4.22Å; I108-F210 HydrophobicContact CG1-CE1 4.41Å; I108-F210 HydrophobicContact CG2-CD2 4.31Å; I108-F210 HydrophobicContact CG2-CE1 4.05Å; I108-F210 HydrophobicContact CG2-CE2 3.67Å; I108-F210 HydrophobicContact CG2-CZ 3.52Å; A145-F210 HydrophobicContact CB-CD1 3.9Å; A145-F210 HydrophobicContact CB-CE1 3.8Å; V206-F210 WeakPolarHBondContact O-CB 3.41Å; V206-F210 PolarHBondContact O-N 3.48Å; L207-F210 PolarHBondContact O-N 3.2Å; L208-F210 PolarHBondContact O-N 2.83Å; F210-V212 PolarHBondContact O-N 3.24Å; F210-G214 VanDerWaalsContact O-CA 3.25Å; F210-G214 WeakPolarHBondContact O-CA 3.49Å; F210-G214 PolarHBondContact O-N 3.05Å; F210-T215 WeakPolarHBondContact CA-O 3.4Å; F210-M216 HydrophobicContact CB-SD 4.11Å; F210-M216 HydrophobicContact CD1-SD 4.49Å; F210-M216 HydrophobicContact CD2-SD 3.98Å; F210-M216 HydrophobicContact CG-SD 3.95Å
211M98.4Very high97.3Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-60.8-44.5176.2-73-171.4-67.900113.1L104 I108 L114 T122 F123 L207 L208 F209L104-M211 HydrophobicContact CD1-CG 4.19Å; L104-M211 HydrophobicContact CD1-SD 4.41Å; L104-M211 HydrophobicContact CD2-CG 3.89Å; L104-M211 HydrophobicContact CD2-SD 3.93Å; I108-M211 HydrophobicContact CD1-CB 4.49Å; I108-M211 HydrophobicContact CD1-CG 4.07Å; L114-M211 HydrophobicContact CD1-CB 4.24Å; L114-M211 HydrophobicContact CD1-CG 4.02Å; L114-M211 HydrophobicContact CD1-SD 4.06Å; L114-M211 PolarHBondContact N-O 3.47Å; T122-M211 HydrophobicContact CG2-SD 3.72Å; F123-M211 HydrophobicContact CB-CE 3.83Å; F123-M211 HydrophobicContact CD2-CE 3.61Å; F123-M211 HydrophobicContact CG-CE 4.16Å; L207-M211 WeakPolarHBondContact O-CG 3.4Å; L207-M211 PolarHBondContact O-N 3.14Å; L208-M211 HydrophobicContact CB-CE 4.41Å; L208-M211 HydrophobicContact CD1-CE 4.17Å; L208-M211 PolarHBondContact O-N 2.84Å; F209-M211 VanDerWaalsContact C-N 3.31Å; F209-M211 PolarHBondContact O-N 2.9Å
212V98.2Very high97.1Very high10 Ų1032.3 Ų32.36%0.06117%0.173CC..Hα-helixtrans-91.2-14.3-172.3-55.40000114K113 L208 F209 F210 V241 I249 W271K113-V212 VanDerWaalsContact CD-O 3.26Å; K113-V212 WeakPolarHBondContact CD-O 3.47Å; L208-V212 HydrophobicContact CD1-CG1 4.1Å; L208-V212 WeakPolarHBondContact O-CG2 3.41Å; L208-V212 PolarHBondContact O-N 2.86Å; L208-V212 VanDerWaalsContact O-N 3.16Å; F209-V212 PolarHBondContact O-N 3.45Å; F210-V212 PolarHBondContact O-N 3.24Å; V212-V241 HydrophobicContact CG2-CG1 4.04Å; V212-V241 HydrophobicContact CG2-CG2 4.1Å; V212-I249 HydrophobicContact CG2-CD1 4.05Å; V212-W271 HydrophobicContact CG1-CZ2 4.33Å
213T97.9Very high96.9Very high15 Ų1538.2 Ų38.29%0.09220%0.202CC..Hα-helixtrans-112.3-25.917968.90000113.1F209 T215 P238 V241F209-T213 HydrophobicContact CD1-CG2 3.91Å; F209-T213 VanDerWaalsContact CD1-OG1 3.29Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.46Å; F209-T213 HydrophobicContact CD2-CG2 4.34Å; F209-T213 HydrophobicContact CE1-CG2 3.69Å; F209-T213 VanDerWaalsContact CE1-OG1 3.23Å; F209-T213 WeakPolarHBondContact CE1-OG1 3.4Å; F209-T213 HydrophobicContact CE2-CG2 4.15Å; F209-T213 HydrophobicContact CG-CG2 4.23Å; F209-T213 HydrophobicContact CZ-CG2 3.82Å; F209-T213 WeakPolarHBondContact O-CB 3.33Å; F209-T213 WeakPolarHBondContact O-CG2 3.26Å; F209-T213 PolarHBondContact O-N 2.87Å; F209-T213 PolarHBondContact O-OG1 3.44Å; T213-T215 PolarHBondContact O-N 3.16Å; T213-T215 PolarHBondContact OG1-N 3.16Å; T213-T215 VanDerWaalsContact OG1-N 3.09Å; T213-T215 PolarHBondContact OG1-O 2.95Å; T213-T215 PolarHBondContact OG1-OG1 3.17Å; T213-P238 HydrophobicContact CG2-CG 4.12Å; T213-V241 HydrophobicContact CG2-CG2 4.16Å
214G97.4Very high96.7Very high25 Ų2540.3 Ų40.326%0.25822%0.224SC..SBendtrans75.16-170.600000113.5F210F210-G214 VanDerWaalsContact O-CA 3.25Å; F210-G214 WeakPolarHBondContact O-CA 3.49Å; F210-G214 PolarHBondContact O-N 3.05Å
215T96.7Very high96.6Very high81 Ų8145.3 Ų45.350%0.49725%0.245SC..SBendtrans-133.5152.9-179.260.10000110.9F209 F210 T213F209-T215 WeakPolarHBondContact CD1-O 3.49Å; F209-T215 VanDerWaalsContact CE1-O 3.3Å; F209-T215 WeakPolarHBondContact CE1-O 3.44Å; F210-T215 WeakPolarHBondContact CA-O 3.4Å; T213-T215 PolarHBondContact O-N 3.16Å; T213-T215 PolarHBondContact OG1-N 3.16Å; T213-T215 VanDerWaalsContact OG1-N 3.09Å; T213-T215 PolarHBondContact OG1-O 2.95Å; T213-T215 PolarHBondContact OG1-OG1 3.17Å
216M97Very high96.5Very high47 Ų4745.6 Ų45.623%0.23225%0.247CC..  trans-72.6141.7176.4-65.3-61.5-76.900110.6P182 Y183 V206 F210 F218P182-M216 HydrophobicContact CB-CE 3.54Å; Y183-M216 HydrophobicContact CD1-CE 4.39Å; Y183-M216 HydrophobicContact CD2-CE 4.2Å; Y183-M216 HydrophobicContact CE1-CE 3.97Å; Y183-M216 HydrophobicContact CE2-CE 3.78Å; Y183-M216 HydrophobicContact CG-CE 4.5Å; V206-M216 HydrophobicContact CG1-CE 3.47Å; V206-M216 VanDerWaalsContact CG1-CE 3.47Å; V206-M216 HydrophobicContact CG1-SD 4.42Å; F210-M216 HydrophobicContact CB-SD 4.11Å; F210-M216 HydrophobicContact CD1-SD 4.49Å; F210-M216 HydrophobicContact CD2-SD 3.98Å; F210-M216 HydrophobicContact CG-SD 3.95Å; M216-F218 VanDerWaalsContact C-N 3.29Å; M216-F218 PolarHBondContact O-N 3.16Å
217P97.8Very high96.3Very high13 Ų1351.7 Ų51.78%0.08427%0.27CS..SBendtrans-65.4-34.7176.324.8-31.2000112V206 F209 Y235 L253V206-P217 HydrophobicContact CB-CG 4.27Å; V206-P217 HydrophobicContact CG1-CG 3.91Å; V206-P217 HydrophobicContact CG2-CG 4.14Å; F209-P217 HydrophobicContact CB-CB 4.28Å; F209-P217 HydrophobicContact CB-CG 4.15Å; F209-P217 HydrophobicContact CD1-CB 3.73Å; F209-P217 HydrophobicContact CD1-CG 4.07Å; F209-P217 HydrophobicContact CD2-CB 3.96Å; F209-P217 HydrophobicContact CE1-CB 3.97Å; F209-P217 HydrophobicContact CE2-CB 4.19Å; F209-P217 HydrophobicContact CG-CB 3.73Å; F209-P217 HydrophobicContact CG-CG 4.08Å; F209-P217 HydrophobicContact CZ-CB 4.19Å; P217-Y235 HydrophobicContact CB-CG 4.29Å; P217-Y235 WeakPolarHBondContact O-CB 3.46Å; P217-L253 HydrophobicContact CB-CD1 4.45Å
218F96.9Very high96.2Very high3 Ų358.7 Ų58.71%0.01330%0.296CS..SBendtrans-117.5120.8178.9-46.6-67.3000109.5W202 V206 M216 L226 C229 I230 Y235 L253W202-F218 AromaticContact CE2-CE2 3.98Å; W202-F218 HydrophobicContact CH2-CE2 4.01Å; W202-F218 AromaticContact CH2-CZ 3.74Å; W202-F218 HydrophobicContact CH2-CZ 3.74Å; W202-F218 HydrophobicContact CZ2-CD2 4.23Å; W202-F218 AromaticContact CZ2-CE2 3.29Å; W202-F218 HydrophobicContact CZ2-CE2 3.29Å; W202-F218 AromaticContact CZ2-CZ 3.5Å; W202-F218 HydrophobicContact CZ2-CZ 3.5Å; V206-F218 HydrophobicContact CG2-CD2 4.37Å; V206-F218 HydrophobicContact CG2-CE2 4.12Å; M216-F218 VanDerWaalsContact C-N 3.29Å; M216-F218 PolarHBondContact O-N 3.16Å; F218-L226 HydrophobicContact CB-CD1 3.82Å; F218-C229 HydrophobicContact CB-CB 4.49Å; F218-C229 HydrophobicContact CD1-CB 4.2Å; F218-I230 HydrophobicContact CB-CG1 3.87Å; F218-I230 HydrophobicContact CD1-CG1 4.42Å; F218-I230 HydrophobicContact CD2-CG1 3.95Å; F218-I230 HydrophobicContact CG-CG1 3.81Å; F218-Y235 AromaticContact CE1-CD1 3.65Å; F218-Y235 HydrophobicContact CE1-CD1 3.65Å; F218-Y235 HydrophobicContact CE1-CG 4.35Å; F218-Y235 AromaticContact CZ-CD1 3.72Å; F218-Y235 HydrophobicContact CZ-CD1 3.72Å; F218-Y235 HydrophobicContact CZ-CE1 4.29Å; F218-L253 HydrophobicContact CZ-CD1 4.5Å
219R91.7Very high96.1Very high214 Ų21460.2 Ų60.281%0.80831%0.307SS*.  trans-147.6136.3176.3-174.2178.8-178.4-175.11.5109.6
220A93.3Very high96Very high28 Ų2859.9 Ų59.923%0.23131%0.306CS..  trans-154.9162.8171.300000110.8T222 K225 L226A220-T222 VanDerWaalsContact C-N 3.28Å; A220-T222 PolarHBondContact O-N 3.31Å; A220-K225 HydrophobicContact CB-CB 3.47Å; A220-K225 VanDerWaalsContact CB-CB 3.47Å; A220-L226 HydrophobicContact CB-CB 4.14Å
221D93.1Very high95.8Very high148 Ų14862 Ų6279%0.79132%0.316SS*.SBendtrans-74.9-18.5-178.6-47.2-48.1000113.3
222T95.1Very high95.6Very high71 Ų7167.9 Ų67.944%0.43634%0.344SS..SBendtrans-130.9148.7-18073.20000111.1A220 G224 K225 L226A220-T222 VanDerWaalsContact C-N 3.28Å; A220-T222 PolarHBondContact O-N 3.31Å; T222-G224 PolarHBondContact O-N 3.33Å; T222-K225 PolarHBondContact O-N 2.89Å; T222-K225 VanDerWaalsContact O-N 3.16Å; T222-K225 WeakPolarHBondContact OG1-CG 3.41Å; T222-K225 PolarHBondContact OG1-N 3.21Å; T222-L226 PolarHBondContact O-N 3.49Å
223M93.6Very high95.5Very high124 Ų12468.2 Ų68.261%0.61135%0.348SS*.Hα-helixtrans-58.5-36.3177.3-70.8-60.3107.100112.5P181 L226 R227P181-M223 HydrophobicContact CB-SD 4.33Å; M223-L226 HydrophobicContact CE-CD2 3.91Å; M223-L226 PolarHBondContact O-N 2.86Å; M223-L226 HydrophobicContact SD-CD2 4.19Å; M223-R227 VanDerWaalsContact O-CB 3.31Å; M223-R227 WeakPolarHBondContact O-CB 3.24Å; M223-R227 PolarHBondContact O-N 2.69Å
224G94.8Very high95.4Very high49 Ų4970.9 Ų70.951%0.50537%0.366SS..Hα-helixtrans-64.4-40.5176.600000113.3T222 R228T222-G224 PolarHBondContact O-N 3.33Å; G224-R228 PolarHBondContact O-N 3.45Å
225K95.3Very high95.4Very high104 Ų10472 Ų7245%0.45236%0.363SS..Hα-helixtrans-70.3-41.9174.8-72.7178.6-178.9179.80111.4A220 T222 R227 R228 C229A220-K225 HydrophobicContact CB-CB 3.47Å; A220-K225 VanDerWaalsContact CB-CB 3.47Å; T222-K225 PolarHBondContact O-N 2.89Å; T222-K225 VanDerWaalsContact O-N 3.16Å; T222-K225 WeakPolarHBondContact OG1-CG 3.41Å; T222-K225 PolarHBondContact OG1-N 3.21Å; K225-R227 PolarHBondContact O-N 2.71Å; K225-R228 WeakPolarHBondContact O-CB 3.3Å; K225-R228 PolarHBondContact O-N 3.42Å; K225-C229 PolarHBondContact O-N 2.97Å; K225-C229 PolarHBondContact O-SG 3.44Å; K225-C229 VanDerWaalsContact O-SG 3.4Å
226L95.9Very high95.4Very high7 Ų773.9 Ų73.94%0.03738%0.375CS..Hα-helixtrans-59.5-48177.2177.162.3000110.8P181 F218 A220 T222 M223 R228 C229 I230P181-L226 HydrophobicContact CB-CD2 4.38Å; F218-L226 HydrophobicContact CB-CD1 3.82Å; A220-L226 HydrophobicContact CB-CB 4.14Å; T222-L226 PolarHBondContact O-N 3.49Å; M223-L226 HydrophobicContact CE-CD2 3.91Å; M223-L226 PolarHBondContact O-N 2.86Å; M223-L226 HydrophobicContact SD-CD2 4.19Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 3.41Å; L226-C229 PolarHBondContact O-N 2.86Å; L226-I230 HydrophobicContact CD1-CD1 4.06Å; L226-I230 HydrophobicContact CD1-CG1 4.36Å; L226-I230 HydrophobicContact CG-CD1 3.86Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 2.75Å
227R95.3Very high95.4Very high128 Ų12872.5 Ų72.548%0.48337%0.368SS..Hα-helixtrans-54.1-46.3174.6178.7179.5174.4-175.71.4111.1F189 M223 K225 C229 I230 M231F189-R227 HydrophobicContact CB-CG 4.05Å; F189-R227 HydrophobicContact CD1-CG 4.04Å; F189-R227 HydrophobicContact CG-CG 3.99Å; F189-R227 PolarHBondContact O-NH2 3.44Å; M223-R227 VanDerWaalsContact O-CB 3.31Å; M223-R227 WeakPolarHBondContact O-CB 3.24Å; M223-R227 PolarHBondContact O-N 2.69Å; K225-R227 PolarHBondContact O-N 2.71Å; R227-C229 PolarHBondContact O-N 2.78Å; R227-I230 PolarHBondContact O-N 3.31Å; R227-M231 HydrophobicContact CG-CG 4.1Å; R227-M231 WeakPolarHBondContact O-CB 3.49Å; R227-M231 WeakPolarHBondContact O-CG 3.37Å; R227-M231 PolarHBondContact O-N 3.48Å
228R95.8Very high95.4Very high147 Ų14772.9 Ų72.956%0.55537%0.371SS*.Hα-helixtrans-58.9-48.5177.6-172.1-177.8-58.5144.31.4112G224 K225 L226 I230 M231 E232G224-R228 PolarHBondContact O-N 3.45Å; K225-R228 WeakPolarHBondContact O-CB 3.3Å; K225-R228 PolarHBondContact O-N 3.42Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 3.41Å; R228-I230 VanDerWaalsContact C-N 3.3Å; R228-I230 PolarHBondContact O-N 3.17Å; R228-M231 PolarHBondContact O-N 2.97Å; R228-E232 HydrophobicContact CG-CG 4.43Å; R228-E232 WeakPolarHBondContact CG-OE1 3.49Å; R228-E232 WeakPolarHBondContact O-CB 3.47Å; R228-E232 WeakPolarHBondContact O-CG 3.32Å; R228-E232 PolarHBondContact O-N 2.86Å
229C96.2Very high95.4Very high33 Ų3378.2 Ų78.222%0.22341%0.406CS..Hα-helixtrans-58.7-41.6177.5-64.20000112.4F218 K225 L226 R227 A233 S234F218-C229 HydrophobicContact CB-CB 4.49Å; F218-C229 HydrophobicContact CD1-CB 4.2Å; K225-C229 PolarHBondContact O-N 2.97Å; K225-C229 PolarHBondContact O-SG 3.44Å; K225-C229 VanDerWaalsContact O-SG 3.4Å; L226-C229 PolarHBondContact O-N 2.86Å; R227-C229 PolarHBondContact O-N 2.78Å; C229-A233 WeakPolarHBondContact O-CA 3.49Å; C229-A233 PolarHBondContact O-N 2.85Å; C229-A233 VanDerWaalsContact O-N 3.12Å; C229-S234 PolarHBondContact O-N 2.8Å
230I96.8Very high95.5Very high0 Ų075.4 Ų75.40%040%0.395CS..Hα-helixtrans-64.3-50.7176.7-69168.1000110.4P181 A184 P186 F189 W202 F218 L226 R227 R228 E232 A233P181-I230 WeakPolarHBondContact O-CD1 3.46Å; A184-I230 WeakPolarHBondContact O-CG2 3.38Å; P186-I230 HydrophobicContact CB-CG2 4.48Å; P186-I230 HydrophobicContact CG-CG2 3.97Å; F189-I230 HydrophobicContact CD2-CG2 4.14Å; F189-I230 HydrophobicContact CE2-CD1 3.9Å; F189-I230 HydrophobicContact CE2-CG2 3.95Å; F189-I230 HydrophobicContact CZ-CD1 4.19Å; W202-I230 HydrophobicContact CZ2-CG2 3.94Å; F218-I230 HydrophobicContact CB-CG1 3.87Å; F218-I230 HydrophobicContact CD1-CG1 4.42Å; F218-I230 HydrophobicContact CD2-CG1 3.95Å; F218-I230 HydrophobicContact CG-CG1 3.81Å; L226-I230 HydrophobicContact CD1-CD1 4.06Å; L226-I230 HydrophobicContact CD1-CG1 4.36Å; L226-I230 HydrophobicContact CG-CD1 3.86Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 2.75Å; R227-I230 PolarHBondContact O-N 3.31Å; R228-I230 VanDerWaalsContact C-N 3.3Å; R228-I230 PolarHBondContact O-N 3.17Å; I230-E232 VanDerWaalsContact C-N 3.29Å; I230-E232 PolarHBondContact O-N 3.31Å; I230-A233 PolarHBondContact O-N 3Å
231M95.1Very high95.7Very high55 Ų5574.2 Ų74.227%0.27139%0.385SS..Hα-helixtrans-59.7-38.4-178.2-73-57.8-61.200113P186 F189 R190 R227 R228 A233P186-M231 HydrophobicContact CB-SD 3.82Å; F189-M231 HydrophobicContact CB-SD 3.96Å; R190-M231 HydrophobicContact CB-CE 3.71Å; R190-M231 HydrophobicContact CB-SD 4.35Å; R190-M231 HydrophobicContact CG-CE 4Å; R227-M231 HydrophobicContact CG-CG 4.1Å; R227-M231 WeakPolarHBondContact O-CB 3.49Å; R227-M231 WeakPolarHBondContact O-CG 3.37Å; R227-M231 PolarHBondContact O-N 3.48Å; R228-M231 PolarHBondContact O-N 2.97Å; M231-A233 VanDerWaalsContact C-N 3.3Å
232E94.9Very high95.8Very high124 Ų12469.6 Ų69.658%0.57936%0.363SS*.THydrogen-bonded Turntrans-84.5-5.4178.1-67.2168.6-173.900112.6R228 I230 S234R228-E232 HydrophobicContact CG-CG 4.43Å; R228-E232 WeakPolarHBondContact CG-OE1 3.49Å; R228-E232 WeakPolarHBondContact O-CB 3.47Å; R228-E232 WeakPolarHBondContact O-CG 3.32Å; R228-E232 PolarHBondContact O-N 2.86Å; I230-E232 VanDerWaalsContact C-N 3.29Å; I230-E232 PolarHBondContact O-N 3.31Å; E232-S234 PolarHBondContact O-N 2.79Å
233A95.9Very high95.9Very high17 Ų1767.9 Ų67.914%0.1436%0.36CS..THydrogen-bonded Turntrans45.943.8-167.200000112.2W202 C229 I230 M231 Y235 P255W202-A233 HydrophobicContact CH2-CB 4.12Å; C229-A233 WeakPolarHBondContact O-CA 3.49Å; C229-A233 PolarHBondContact O-N 2.85Å; C229-A233 VanDerWaalsContact O-N 3.12Å; I230-A233 PolarHBondContact O-N 3Å; M231-A233 VanDerWaalsContact C-N 3.3Å; A233-Y235 HydrophobicContact CB-CE1 4.25Å; A233-Y235 WeakPolarHBondContact O-CD1 3.36Å; A233-Y235 WeakPolarHBondContact O-CE1 3.39Å; A233-Y235 PolarHBondContact O-N 3.42Å; A233-P255 HydrophobicContact CB-CG 3.7Å
234S95.3Very high96Very high70 Ų7064.1 Ų64.149%0.4935%0.345SS..  trans-8398.6-177.2-1730000110.7C229 E232C229-S234 PolarHBondContact O-N 2.8Å; E232-S234 PolarHBondContact O-N 2.79Å
235Y96.8Very high96.1Very high48 Ų4861.8 Ų61.819%0.18832%0.321CS..  trans-147.4158.5174.563.1-86.2000110.3F209 P217 F218 A233 I237 I249 L253F209-Y235 HydrophobicContact CD2-CD2 4.32Å; F209-Y235 AromaticContact CE2-CD2 4Å; F209-Y235 HydrophobicContact CE2-CD2 4Å; P217-Y235 HydrophobicContact CB-CG 4.29Å; P217-Y235 WeakPolarHBondContact O-CB 3.46Å; F218-Y235 AromaticContact CE1-CD1 3.65Å; F218-Y235 HydrophobicContact CE1-CD1 3.65Å; F218-Y235 HydrophobicContact CE1-CG 4.35Å; F218-Y235 AromaticContact CZ-CD1 3.72Å; F218-Y235 HydrophobicContact CZ-CD1 3.72Å; F218-Y235 HydrophobicContact CZ-CE1 4.29Å; A233-Y235 HydrophobicContact CB-CE1 4.25Å; A233-Y235 WeakPolarHBondContact O-CD1 3.36Å; A233-Y235 WeakPolarHBondContact O-CE1 3.39Å; A233-Y235 PolarHBondContact O-N 3.42Å; Y235-I237 HydrophobicContact CD2-CG1 3.94Å; Y235-I237 HydrophobicContact CE2-CD1 3.96Å; Y235-I237 HydrophobicContact CE2-CG1 3.69Å; Y235-I249 HydrophobicContact CE2-CG2 3.92Å; Y235-L253 HydrophobicContact CD1-CD1 4.39Å; Y235-L253 HydrophobicContact CE1-CB 3.74Å; Y235-L253 HydrophobicContact CE1-CD1 3.99Å; Y235-L253 HydrophobicContact CE2-CD1 4.3Å
236T97.1Very high96.2Very high122 Ų12258.3 Ų58.375%0.74831%0.306SS*.  trans-120.7124.4174.7-60.90000109.4P238T236-P238 WeakPolarHBondContact O-CD 3.47Å
237I97.9Very high96.3Very high17 Ų1763.6 Ų63.69%0.08733%0.325CS..  trans-84.3123.8174.4-53172.7000108.3F209 Y235 V241 Q246 I249 R250F209-I237 HydrophobicContact CD2-CG1 4.46Å; F209-I237 HydrophobicContact CE2-CG1 4.13Å; Y235-I237 HydrophobicContact CD2-CG1 3.94Å; Y235-I237 HydrophobicContact CE2-CD1 3.96Å; Y235-I237 HydrophobicContact CE2-CG1 3.69Å; I237-V241 HydrophobicContact CG2-CB 3.75Å; I237-V241 HydrophobicContact CG2-CG1 3.97Å; I237-V241 HydrophobicContact CG2-CG2 3.88Å; I237-Q246 HydrophobicContact CD1-CB 3.99Å; I237-Q246 HydrophobicContact CG2-CB 4.28Å; I237-Q246 HydrophobicContact CG2-CG 3.78Å; I237-I249 HydrophobicContact CD1-CB 3.9Å; I237-I249 HydrophobicContact CD1-CG2 3.71Å; I237-I249 HydrophobicContact CG1-CG2 4.22Å; I237-R250 HydrophobicContact CD1-CG 3.84Å
238P97.1Very high96.4Very high21 Ų2157.6 Ų57.614%0.13630%0.303CS..  trans-63.3148.3179.2-23.833.9000113.7T213 T236 W240 V241T213-P238 HydrophobicContact CG2-CG 4.12Å; T236-P238 WeakPolarHBondContact O-CD 3.47Å; P238-W240 HydrophobicContact CB-CD2 3.49Å; P238-W240 VanDerWaalsContact CB-CD2 3.49Å; P238-W240 HydrophobicContact CB-CE3 3.67Å; P238-W240 HydrophobicContact CB-CG 4.27Å; P238-W240 HydrophobicContact CB-CH2 3.4Å; P238-W240 HydrophobicContact CB-CZ2 3.17Å; P238-W240 HydrophobicContact CB-CZ3 3.62Å; P238-W240 HydrophobicContact CG-CH2 3.84Å; P238-W240 HydrophobicContact CG-CZ2 3.41Å; P238-W240 VanDerWaalsContact CG-CZ2 3.41Å; P238-W240 PolarHBondContact O-N 3.36Å; P238-W240 VanDerWaalsContact O-N 3.16Å; P238-V241 HydrophobicContact CB-CG2 4.43Å; P238-V241 WeakPolarHBondContact O-CB 3.43Å; P238-V241 PolarHBondContact O-N 2.92Å
239P95.9Very high96.6Very high115 Ų11550.6 Ų50.675%0.74728%0.277SS*.THydrogen-bonded Turntrans-66.2-21.5-174.126.1-34.9000114V241P239-V241 VanDerWaalsContact C-N 3.26Å; P239-V241 PolarHBondContact O-N 3.11Å
240W95.1Very high96.6Very high155 Ų15554.7 Ų54.759%0.58729%0.287SS*.THydrogen-bonded Turntrans-75.6-11.1175.961.774.1000113.9P238P238-W240 HydrophobicContact CB-CD2 3.49Å; P238-W240 VanDerWaalsContact CB-CD2 3.49Å; P238-W240 HydrophobicContact CB-CE3 3.67Å; P238-W240 HydrophobicContact CB-CG 4.27Å; P238-W240 HydrophobicContact CB-CH2 3.4Å; P238-W240 HydrophobicContact CB-CZ2 3.17Å; P238-W240 HydrophobicContact CB-CZ3 3.62Å; P238-W240 HydrophobicContact CG-CH2 3.84Å; P238-W240 HydrophobicContact CG-CZ2 3.41Å; P238-W240 VanDerWaalsContact CG-CZ2 3.41Å; P238-W240 PolarHBondContact O-N 3.36Å; P238-W240 VanDerWaalsContact O-N 3.16Å
241V97.1Very high96.7Very high3 Ų354.9 Ų54.92%0.01829%0.289CS..SBendtrans-72.7129.2173.5177.10000107.9V212 T213 I237 P238 P239 G243 C245 Q246V212-V241 HydrophobicContact CG2-CG1 4.04Å; V212-V241 HydrophobicContact CG2-CG2 4.1Å; T213-V241 HydrophobicContact CG2-CG2 4.16Å; I237-V241 HydrophobicContact CG2-CB 3.75Å; I237-V241 HydrophobicContact CG2-CG1 3.97Å; I237-V241 HydrophobicContact CG2-CG2 3.88Å; P238-V241 HydrophobicContact CB-CG2 4.43Å; P238-V241 WeakPolarHBondContact O-CB 3.43Å; P238-V241 PolarHBondContact O-N 2.92Å; P239-V241 VanDerWaalsContact C-N 3.26Å; P239-V241 PolarHBondContact O-N 3.11Å; V241-G243 PolarHBondContact O-N 3.33Å; V241-C245 HydrophobicContact CG1-CB 3.81Å; V241-Q246 HydrophobicContact CB-CG 4.05Å; V241-Q246 HydrophobicContact CG1-CG 3.88Å; V241-Q246 WeakPolarHBondContact O-CG 3.38Å; V241-Q246 PolarHBondContact O-NE2 3.41Å
242P95.4Very high96.8Very high51 Ų5152.2 Ų52.233%0.33128%0.276SS..  trans-56.8137.6-177-27.636.1000112.7P244 C245 Q246P242-P244 VanDerWaalsContact C-N 3.34Å; P242-C245 HydrophobicContact CB-CB 4.39Å; P242-C245 WeakPolarHBondContact O-CA 3.44Å; P242-C245 VanDerWaalsContact O-CB 3.24Å; P242-C245 WeakPolarHBondContact O-CB 3.5Å; P242-C245 PolarHBondContact O-N 3.43Å; P242-Q246 WeakPolarHBondContact O-CG 3.44Å; P242-Q246 PolarHBondContact O-N 2.98Å
243G96.7Very high97Very high35 Ų3546.5 Ų46.536%0.36125%0.249SC..Hα-helixtrans-47-46.9-178.800000114.8V241 C245 Q246 R247V241-G243 PolarHBondContact O-N 3.33Å; G243-C245 VanDerWaalsContact C-N 3.34Å; G243-C245 PolarHBondContact O-N 3.24Å; G243-Q246 PolarHBondContact O-N 2.9Å; G243-R247 PolarHBondContact O-N 2.95Å
244P96.1Very high97Very high46 Ų4649 Ų4930%0.29926%0.257SS..Hα-helixtrans-56.6-42.3173.3-27.836.7000114P242 R247 L248 D270 W271P242-P244 VanDerWaalsContact C-N 3.34Å; P244-R247 PolarHBondContact O-N 3.12Å; P244-L248 PolarHBondContact O-N 3.28Å; P244-L248 VanDerWaalsContact O-N 3.11Å; P244-D270 HydrophobicContact CB-CB 4.15Å; P244-W271 HydrophobicContact CB-CB 3.78Å; P244-W271 HydrophobicContact CB-CG 4.47Å
245C97Very high97Very high0 Ų048.1 Ų48.10%025%0.25CS..Hα-helixtrans-65.3-41.9176.2-167.60000111.1V241 P242 G243 R247 L248 I249 W271V241-C245 HydrophobicContact CG1-CB 3.81Å; P242-C245 HydrophobicContact CB-CB 4.39Å; P242-C245 WeakPolarHBondContact O-CA 3.44Å; P242-C245 VanDerWaalsContact O-CB 3.24Å; P242-C245 WeakPolarHBondContact O-CB 3.5Å; P242-C245 PolarHBondContact O-N 3.43Å; G243-C245 VanDerWaalsContact C-N 3.34Å; G243-C245 PolarHBondContact O-N 3.24Å; C245-R247 VanDerWaalsContact C-N 3.3Å; C245-R247 PolarHBondContact O-N 3.46Å; C245-L248 WeakPolarHBondContact O-CB 3.29Å; C245-L248 PolarHBondContact O-N 2.78Å; C245-I249 WeakPolarHBondContact O-CG1 3.46Å; C245-I249 PolarHBondContact O-N 3.46Å; C245-W271 VanDerWaalsContact CB-CD1 3.44Å; C245-W271 HydrophobicContact CB-CD2 4.03Å; C245-W271 HydrophobicContact CB-CG 3.77Å
246Q98.1Very high97Very high30 Ų3049.7 Ų49.714%0.1426%0.261CS..Hα-helixtrans-62.2-39.5177.5-49.5-173.112.400111.9I237 V241 P242 G243 I249 R250I237-Q246 HydrophobicContact CD1-CB 3.99Å; I237-Q246 HydrophobicContact CG2-CB 4.28Å; I237-Q246 HydrophobicContact CG2-CG 3.78Å; V241-Q246 HydrophobicContact CB-CG 4.05Å; V241-Q246 HydrophobicContact CG1-CG 3.88Å; V241-Q246 WeakPolarHBondContact O-CG 3.38Å; V241-Q246 PolarHBondContact O-NE2 3.41Å; P242-Q246 WeakPolarHBondContact O-CG 3.44Å; P242-Q246 PolarHBondContact O-N 2.98Å; G243-Q246 PolarHBondContact O-N 2.9Å; Q246-I249 PolarHBondContact O-N 3.05Å; Q246-R250 WeakPolarHBondContact O-CB 3.5Å; Q246-R250 WeakPolarHBondContact O-CG 3.31Å; Q246-R250 PolarHBondContact O-N 3.3Å
247R97.5Very high96.9Very high118 Ų11845.4 Ų45.445%0.44524%0.238SC..Hα-helixtrans-61.5-44.6174.9-71-166.9-62.2-89.39.6111.2G243 P244 C245 R250 G251 D270G243-R247 PolarHBondContact O-N 2.95Å; P244-R247 PolarHBondContact O-N 3.12Å; C245-R247 VanDerWaalsContact C-N 3.3Å; C245-R247 PolarHBondContact O-N 3.46Å; R247-R250 PolarHBondContact O-N 3.02Å; R247-G251 PolarHBondContact O-N 3.49Å; R247-D270 IonicContact CZ-OD2 3.52Å; R247-D270 IonicContact NH2-OD2 3.48Å; R247-D270 PolarHBondContact NH2-OD2 3.27Å
248L97.6Very high96.7Very high3 Ų349.6 Ų49.62%0.01628%0.275CS..Hα-helixtrans-59.7-50.2176.3179.660.6000111.6F123 L208 P244 C245 R250 G251 I252 Y261 M266 C269 W271F123-L248 HydrophobicContact CE1-CD2 3.94Å; L208-L248 HydrophobicContact CD2-CB 4.46Å; L208-L248 HydrophobicContact CD2-CD2 3.56Å; L208-L248 HydrophobicContact CD2-CG 3.82Å; P244-L248 PolarHBondContact O-N 3.28Å; P244-L248 VanDerWaalsContact O-N 3.11Å; C245-L248 WeakPolarHBondContact O-CB 3.29Å; C245-L248 PolarHBondContact O-N 2.78Å; L248-R250 VanDerWaalsContact C-N 3.35Å; L248-R250 PolarHBondContact O-N 3.1Å; L248-G251 PolarHBondContact O-N 3.33Å; L248-G251 VanDerWaalsContact O-N 3.13Å; L248-I252 HydrophobicContact CD1-CD1 3.78Å; L248-I252 HydrophobicContact CD1-CG1 4.2Å; L248-I252 HydrophobicContact CG-CD1 3.81Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.15Å; L248-I252 PolarHBondContact O-N 3.45Å; L248-Y261 HydrophobicContact CD1-CD2 3.92Å; L248-Y261 HydrophobicContact CD1-CE2 4.26Å; L248-M266 HydrophobicContact CD1-CB 4.32Å; L248-M266 HydrophobicContact CD1-CG 4.16Å; L248-C269 HydrophobicContact CD1-CB 4.29Å; L248-W271 HydrophobicContact CD2-CE3 3.68Å; L248-W271 HydrophobicContact CD2-CZ3 4.3Å
249I98.3Very high96.7Very high0 Ų053.3 Ų53.30%029%0.291CS..Hα-helixtrans-57-47.7177.6-67.8169.5000110.9L208 F209 V212 Y235 I237 C245 Q246 G251 I252 L253L208-I249 HydrophobicContact CD2-CG1 3.67Å; L208-I249 HydrophobicContact CG-CD1 4.32Å; L208-I249 HydrophobicContact CG-CG1 3.9Å; F209-I249 HydrophobicContact CB-CD1 4.5Å; F209-I249 HydrophobicContact CD2-CD1 4.36Å; F209-I249 HydrophobicContact CD2-CG2 4.18Å; V212-I249 HydrophobicContact CG2-CD1 4.05Å; Y235-I249 HydrophobicContact CE2-CG2 3.92Å; I237-I249 HydrophobicContact CD1-CB 3.9Å; I237-I249 HydrophobicContact CD1-CG2 3.71Å; I237-I249 HydrophobicContact CG1-CG2 4.22Å; C245-I249 WeakPolarHBondContact O-CG1 3.46Å; C245-I249 PolarHBondContact O-N 3.46Å; Q246-I249 PolarHBondContact O-N 3.05Å; I249-G251 VanDerWaalsContact C-N 3.3Å; I249-G251 PolarHBondContact O-N 3.22Å; I249-I252 PolarHBondContact O-N 3.08Å; I249-L253 HydrophobicContact CG2-CD1 3.86Å; I249-L253 HydrophobicContact CG2-CG 4.42Å; I249-L253 WeakPolarHBondContact O-CB 3.23Å; I249-L253 PolarHBondContact O-N 3.4Å
250R97.9Very high96.8Very high118 Ų11848.5 Ų48.545%0.44526%0.258SS..Hα-helixtrans-64.3-33.8178.2-70.1-177.4-168.9102.92.9112.9I237 Q246 R247 L248 I252 K254I237-R250 HydrophobicContact CD1-CG 3.84Å; Q246-R250 WeakPolarHBondContact O-CB 3.5Å; Q246-R250 WeakPolarHBondContact O-CG 3.31Å; Q246-R250 PolarHBondContact O-N 3.3Å; R247-R250 PolarHBondContact O-N 3.02Å; L248-R250 VanDerWaalsContact C-N 3.35Å; L248-R250 PolarHBondContact O-N 3.1Å; R250-I252 VanDerWaalsContact C-N 3.35Å; R250-K254 WeakPolarHBondContact O-CG 3.47Å
251G97.3Very high96.8Very high4 Ų445 Ų454%0.04125%0.245CC..Hα-helixtrans-69.3-31.7175.900000113.1R247 L248 I249 R260 Y261R247-G251 PolarHBondContact O-N 3.49Å; L248-G251 PolarHBondContact O-N 3.33Å; L248-G251 VanDerWaalsContact O-N 3.13Å; I249-G251 VanDerWaalsContact C-N 3.3Å; I249-G251 PolarHBondContact O-N 3.22Å; G251-R260 CarbonylContact O-C 3.46Å; G251-R260 WeakPolarHBondContact O-CA 3.3Å; G251-Y261 PolarHBondContact O-N 3.29Å
252I97.9Very high96.5Very high0 Ų047.1 Ų47.10%026%0.263CS..Hα-helixtrans-84.6-49.7179.3-61.5161.5000111.6F123 V201 G205 L208 L248 I249 R250 K254 R260 M266F123-I252 HydrophobicContact CZ-CD1 4.19Å; V201-I252 HydrophobicContact CG1-CG2 3.9Å; V201-I252 WeakPolarHBondContact O-CG2 3.49Å; G205-I252 VanDerWaalsContact CA-CG2 3.47Å; L208-I252 HydrophobicContact CD2-CD1 4.33Å; L248-I252 HydrophobicContact CD1-CD1 3.78Å; L248-I252 HydrophobicContact CD1-CG1 4.2Å; L248-I252 HydrophobicContact CG-CD1 3.81Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.15Å; L248-I252 PolarHBondContact O-N 3.45Å; I249-I252 PolarHBondContact O-N 3.08Å; R250-I252 VanDerWaalsContact C-N 3.35Å; I252-K254 PolarHBondContact O-N 3.49Å; I252-R260 WeakPolarHBondContact O-CD 3.19Å; I252-R260 VanDerWaalsContact O-CG 3.25Å; I252-R260 WeakPolarHBondContact O-CG 3.45Å; I252-M266 HydrophobicContact CD1-CE 3.52Å; I252-M266 HydrophobicContact CD1-SD 4.35Å; I252-M266 HydrophobicContact CG1-CE 3.96Å; I252-M266 HydrophobicContact CG1-CG 4.36Å; I252-M266 HydrophobicContact CG1-SD 4.13Å
253L98.1Very high96.2Very high3 Ų345.5 Ų45.52%0.01625%0.252CS..SBendtrans-84.755-173.6-63.8-177.3000112W202 V206 P217 F218 Y235 I249W202-L253 HydrophobicContact CD2-CD2 3.82Å; W202-L253 HydrophobicContact CE3-CD2 3.92Å; W202-L253 HydrophobicContact CG-CD2 4.32Å; W202-L253 HydrophobicContact CH2-CD2 4.46Å; W202-L253 HydrophobicContact CZ2-CD2 4.36Å; W202-L253 HydrophobicContact CZ3-CB 4.28Å; W202-L253 HydrophobicContact CZ3-CD2 4.25Å; V206-L253 HydrophobicContact CG2-CD2 4Å; P217-L253 HydrophobicContact CB-CD1 4.45Å; F218-L253 HydrophobicContact CZ-CD1 4.5Å; Y235-L253 HydrophobicContact CD1-CD1 4.39Å; Y235-L253 HydrophobicContact CE1-CB 3.74Å; Y235-L253 HydrophobicContact CE1-CD1 3.99Å; Y235-L253 HydrophobicContact CE2-CD1 4.3Å; I249-L253 HydrophobicContact CG2-CD1 3.86Å; I249-L253 HydrophobicContact CG2-CG 4.42Å; I249-L253 WeakPolarHBondContact O-CB 3.23Å; I249-L253 PolarHBondContact O-N 3.4Å
254K97.4Very high95.8Very high69 Ų6948.3 Ų48.330%0.326%0.259SS..  trans-94.7138.2169.8-67.6-163.4-171.6170.30111.3W202 R250 I252 L256 E259 R260W202-K254 WeakPolarHBondContact CZ3-O 3.24Å; R250-K254 WeakPolarHBondContact O-CG 3.47Å; I252-K254 PolarHBondContact O-N 3.49Å; K254-L256 VanDerWaalsContact C-N 3.33Å; K254-L256 PolarHBondContact O-N 3.42Å; K254-E259 HydrophobicContact CB-CB 4.36Å; K254-E259 HydrophobicContact CD-CB 3.51Å; K254-E259 WeakPolarHBondContact CD-O 3.29Å; K254-E259 PolarHBondContact NZ-O 3.2Å; K254-E259 VanDerWaalsContact NZ-O 3.11Å; K254-E259 IonicContact NZ-OE2 3.99Å; K254-R260 HydrophobicContact CB-CG 4.19Å; K254-R260 PolarHBondContact O-NE 3.41Å
255P95.1Very high95.4Very high53 Ų5351.4 Ų51.434%0.34427%0.27SS..SBendtrans-56-46179.8-24.731.4000112.9A233 A257 R260A233-P255 HydrophobicContact CB-CG 3.7Å; P255-A257 PolarHBondContact O-N 2.9Å; P255-R260 PolarHBondContact O-NH2 3.34Å
256L95.4Very high95.2Very high80 Ų8051.4 Ų51.442%0.41927%0.27SS..SBendtrans-79.8119.5179.2-64.7178.7000110.7K254 A258 E259K254-L256 VanDerWaalsContact C-N 3.33Å; K254-L256 PolarHBondContact O-N 3.42Å; L256-A258 VanDerWaalsContact C-N 3.25Å; L256-A258 PolarHBondContact O-N 3.34Å; L256-E259 HydrophobicContact CB-CB 4.43Å; L256-E259 HydrophobicContact CB-CG 3.96Å; L256-E259 HydrophobicContact CD1-CG 4.45Å; L256-E259 WeakPolarHBondContact CD1-OE1 3.34Å; L256-E259 PolarHBondContact O-N 2.92Å
257A95.4Very high94.5Very high33 Ų3351.5 Ų51.527%0.27327%0.271SS..G310 helixtrans-54.1-39.1-178.800000113.4P198 P255 E259 R260P198-A257 HydrophobicContact CB-CB 3.8Å; P198-A257 HydrophobicContact CG-CB 4.33Å; P255-A257 PolarHBondContact O-N 2.9Å; A257-E259 PolarHBondContact O-N 3.3Å; A257-R260 PolarHBondContact O-N 3.24Å
258A94.7Very high93.8Very high104 Ų10448.6 Ų48.686%0.8628%0.278SS*.G310 helixtrans-69.1-18.7-179.500000114.2L256L256-A258 VanDerWaalsContact C-N 3.25Å; L256-A258 PolarHBondContact O-N 3.34Å
259E96.3Very high93.4Very high99 Ų9949.3 Ų49.346%0.46328%0.282SS..G310 helixtrans-94.1-9.8-179.6-60.3-172.4175.300113.4K254 L256 A257K254-E259 HydrophobicContact CB-CB 4.36Å; K254-E259 HydrophobicContact CD-CB 3.51Å; K254-E259 WeakPolarHBondContact CD-O 3.29Å; K254-E259 PolarHBondContact NZ-O 3.2Å; K254-E259 VanDerWaalsContact NZ-O 3.11Å; K254-E259 IonicContact NZ-OE2 3.99Å; L256-E259 HydrophobicContact CB-CB 4.43Å; L256-E259 HydrophobicContact CB-CG 3.96Å; L256-E259 HydrophobicContact CD1-CG 4.45Å; L256-E259 WeakPolarHBondContact CD1-OE1 3.34Å; L256-E259 PolarHBondContact O-N 2.92Å; A257-E259 PolarHBondContact O-N 3.3Å
260R97.4Very high93Very high15 Ų1553.9 Ų53.96%0.05731%0.307CS..SBendtrans-67.1151.8179.2-59-174.6-172.214014.6110.1E187 P198 V201 G251 I252 K254 P255 A257 A262E187-R260 IonicContact OE1-CZ 2.75Å; E187-R260 IonicContact OE1-NH1 3.71Å; E187-R260 PolarHBondContact OE1-NH1 2.94Å; E187-R260 IonicContact OE1-NH2 2.69Å; E187-R260 PolarHBondContact OE1-NH2 3.26Å; E187-R260 IonicContact OE2-CZ 3.68Å; E187-R260 IonicContact OE2-NH1 3.64Å; E187-R260 PolarHBondContact OE2-NH1 2.88Å; E187-R260 IonicContact OE2-NH2 3.55Å; E187-R260 PolarHBondContact OE2-NH2 3.05Å; P198-R260 PolarHBondContact O-NH1 2.86Å; V201-R260 HydrophobicContact CG1-CB 4.17Å; G251-R260 CarbonylContact O-C 3.46Å; G251-R260 WeakPolarHBondContact O-CA 3.3Å; I252-R260 WeakPolarHBondContact O-CD 3.19Å; I252-R260 VanDerWaalsContact O-CG 3.25Å; I252-R260 WeakPolarHBondContact O-CG 3.45Å; K254-R260 HydrophobicContact CB-CG 4.19Å; K254-R260 PolarHBondContact O-NE 3.41Å; P255-R260 PolarHBondContact O-NH2 3.34Å; A257-R260 PolarHBondContact O-N 3.24Å; R260-A262 PolarHBondContact O-N 2.67Å
261Y95.5Very high92.7Very high80 Ų8048.4 Ų48.431%0.31429%0.286SS..PPolyproline II helixtrans-59.1132.9170.7-77-0.2000111.5V201 L248 G251 Q265 M266V201-Y261 WeakPolarHBondContact CG1-O 3.29Å; L248-Y261 HydrophobicContact CD1-CD2 3.92Å; L248-Y261 HydrophobicContact CD1-CE2 4.26Å; G251-Y261 PolarHBondContact O-N 3.29Å; Y261-Q265 HydrophobicContact CG-CB 4.49Å; Y261-M266 HydrophobicContact CD2-CG 4.46Å
262A91.4Very high92.3Very high49 Ų4948.2 Ų48.241%0.40528%0.284SS..PPolyproline II helixtrans-68.8153165.700000110.1R260 D264 Q265 M266R260-A262 PolarHBondContact O-N 2.67Å; A262-D264 PolarHBondContact O-N 2.77Å; A262-D264 VanDerWaalsContact O-N 3.16Å; A262-Q265 HydrophobicContact CB-CG 4.26Å; A262-Q265 WeakPolarHBondContact O-CA 3.17Å; A262-Q265 WeakPolarHBondContact O-CB 3.43Å; A262-Q265 PolarHBondContact O-N 3.47Å; A262-M266 WeakPolarHBondContact O-CG 3.5Å; A262-M266 PolarHBondContact O-N 2.63Å
263V89.9Confident91.5Very high17 Ų1753.5 Ų53.510%0.10331%0.312CS..Hα-helixtrans-52.5-39.8178.8172.30000112.1L127 K131 V201 M204 Q265 M266 L267L127-V263 HydrophobicContact CD1-CG1 3.8Å; K131-V263 HydrophobicContact CB-CG1 3.55Å; K131-V263 HydrophobicContact CD-CG1 4.07Å; K131-V263 HydrophobicContact CG-CG1 3.89Å; V201-V263 HydrophobicContact CG2-CG2 4.02Å; M204-V263 HydrophobicContact CE-CG2 4.3Å; V263-Q265 PolarHBondContact O-N 3.23Å; V263-M266 WeakPolarHBondContact O-CB 3.48Å; V263-M266 PolarHBondContact O-N 3.29Å; V263-L267 PolarHBondContact O-N 3.09Å; V263-L267 VanDerWaalsContact O-N 3.08Å
264D86.4Confident90.2Very high93 Ų9356.1 Ų56.150%0.49733%0.329SS..Hα-helixtrans-66-36177-64.5-59.7000113.2K131 A262 M266 L267 G268K131-D264 VanDerWaalsContact CE-OD1 3.31Å; K131-D264 WeakPolarHBondContact CE-OD1 3.28Å; K131-D264 IonicContact NZ-OD1 2.67Å; K131-D264 PolarHBondContact NZ-OD1 3Å; A262-D264 PolarHBondContact O-N 2.77Å; A262-D264 VanDerWaalsContact O-N 3.16Å; D264-M266 VanDerWaalsContact C-N 3.31Å; D264-L267 PolarHBondContact O-N 2.84Å; D264-G268 PolarHBondContact O-N 3.25Å
265Q89.6Confident89.1Confident112 Ų11253.2 Ų53.252%0.52332%0.317SS..Hα-helixtrans-68.3-34.4174.7-63.5175.1-49.700111.3Y261 A262 V263 C269Y261-Q265 HydrophobicContact CG-CB 4.49Å; A262-Q265 HydrophobicContact CB-CG 4.26Å; A262-Q265 WeakPolarHBondContact O-CA 3.17Å; A262-Q265 WeakPolarHBondContact O-CB 3.43Å; A262-Q265 PolarHBondContact O-N 3.47Å; V263-Q265 PolarHBondContact O-N 3.23Å; Q265-C269 PolarHBondContact O-N 2.81Å
266M91.6Very high87.7Confident0 Ų055.3 Ų55.30%032%0.322CS..Hα-helixtrans-66.8-40.3176.1-60.8168.662.200111.4F123 L127 V201 M204 L248 I252 Y261 A262 V263 D264 G268 C269 L272F123-M266 HydrophobicContact CE1-CE 3.95Å; F123-M266 HydrophobicContact CZ-CE 3.47Å; F123-M266 VanDerWaalsContact CZ-CE 3.47Å; L127-M266 HydrophobicContact CD1-CB 4.14Å; L127-M266 HydrophobicContact CD1-CE 3.81Å; L127-M266 HydrophobicContact CD1-SD 4.2Å; L127-M266 HydrophobicContact CD2-CB 3.7Å; V201-M266 HydrophobicContact CG1-SD 4.27Å; M204-M266 HydrophobicContact CB-CE 4.36Å; M204-M266 HydrophobicContact CE-CE 3.74Å; M204-M266 HydrophobicContact CE-SD 4.01Å; M204-M266 HydrophobicContact SD-CE 4.25Å; L248-M266 HydrophobicContact CD1-CB 4.32Å; L248-M266 HydrophobicContact CD1-CG 4.16Å; I252-M266 HydrophobicContact CD1-CE 3.52Å; I252-M266 HydrophobicContact CD1-SD 4.35Å; I252-M266 HydrophobicContact CG1-CE 3.96Å; I252-M266 HydrophobicContact CG1-CG 4.36Å; I252-M266 HydrophobicContact CG1-SD 4.13Å; Y261-M266 HydrophobicContact CD2-CG 4.46Å; A262-M266 WeakPolarHBondContact O-CG 3.5Å; A262-M266 PolarHBondContact O-N 2.63Å; V263-M266 WeakPolarHBondContact O-CB 3.48Å; V263-M266 PolarHBondContact O-N 3.29Å; D264-M266 VanDerWaalsContact C-N 3.31Å; M266-G268 VanDerWaalsContact C-N 3.33Å; M266-G268 PolarHBondContact O-N 2.92Å; M266-C269 WeakPolarHBondContact O-CB 3.49Å; M266-C269 PolarHBondContact O-N 2.74Å; M266-C269 PolarHBondContact O-SG 3.3Å; M266-L272 WeakPolarHBondContact O-CD1 3.41Å
267L84.1Confident86Confident32 Ų3254.3 Ų54.317%0.16832%0.315CS..Hα-helixtrans-62.8-38.7177.8-75.1172.1000112.6L127 K131 V263 D264 C269 F277L127-L267 HydrophobicContact CD2-CD2 3.6Å; L127-L267 HydrophobicContact CD2-CG 3.82Å; L127-L267 HydrophobicContact CG-CD2 3.8Å; L127-L267 HydrophobicContact CG-CG 4.1Å; K131-L267 HydrophobicContact CD-CD1 3.37Å; V263-L267 PolarHBondContact O-N 3.09Å; V263-L267 VanDerWaalsContact O-N 3.08Å; D264-L267 PolarHBondContact O-N 2.84Å; L267-C269 VanDerWaalsContact C-N 3.31Å; L267-C269 PolarHBondContact O-N 3.22Å; L267-F277 HydrophobicContact CB-CZ 4.45Å; L267-F277 HydrophobicContact CD2-CD1 3.7Å; L267-F277 HydrophobicContact CD2-CE1 3.25Å; L267-F277 HydrophobicContact CD2-CE2 4.26Å; L267-F277 HydrophobicContact CD2-CG 4.37Å; L267-F277 HydrophobicContact CD2-CZ 3.57Å; L267-F277 WeakPolarHBondContact O-CE2 3.45Å
268G82.5Confident83.9Confident57 Ų5754 Ų5459%0.58831%0.31SS*.THydrogen-bonded Turntrans-85.29.1-179.900000115.2D264 M266D264-G268 PolarHBondContact O-N 3.25Å; M266-G268 VanDerWaalsContact C-N 3.33Å; M266-G268 PolarHBondContact O-N 2.92Å
269C88.3Confident81.8Confident17 Ų1758 Ų5812%0.11530%0.303CS..  trans-77.5148.8-172.8780000113.5L248 Q265 M266 L267 W271 L272 L273L248-C269 HydrophobicContact CD1-CB 4.29Å; Q265-C269 PolarHBondContact O-N 2.81Å; M266-C269 WeakPolarHBondContact O-CB 3.49Å; M266-C269 PolarHBondContact O-N 2.74Å; M266-C269 PolarHBondContact O-SG 3.3Å; L267-C269 VanDerWaalsContact C-N 3.31Å; L267-C269 PolarHBondContact O-N 3.22Å; C269-W271 PolarHBondContact O-N 3.34Å; C269-L272 PolarHBondContact O-N 3.01Å; C269-L273 PolarHBondContact O-N 3.39Å
270D89.9Confident79.5Confident97 Ų9754.8 Ų54.852%0.51929%0.293SS..THydrogen-bonded Turntrans-53.7-31.6179.7-55.2-17.9000114.1P244 R247P244-D270 HydrophobicContact CB-CB 4.15Å; R247-D270 IonicContact CZ-OD2 3.52Å; R247-D270 IonicContact NH2-OD2 3.48Å; R247-D270 PolarHBondContact NH2-OD2 3.27Å
271W93.1Very high76.8Confident3 Ų357 Ų571%0.01131%0.306CS..THydrogen-bonded Turntrans-71.2-34.5-177.6-177.465.5000112.1D116 K120 F123 L208 V212 P244 C245 L248 C269D116-W271 PolarHBondContact OD1-NE1 2.95Å; K120-W271 HydrophobicContact CB-CH2 4.32Å; K120-W271 HydrophobicContact CB-CZ2 4.42Å; K120-W271 VanDerWaalsContact CD-O 3.26Å; K120-W271 WeakPolarHBondContact CD-O 3.24Å; K120-W271 WeakPolarHBondContact CE-O 3.33Å; K120-W271 HydrophobicContact CG-CD2 4.02Å; K120-W271 HydrophobicContact CG-CE3 4.25Å; K120-W271 HydrophobicContact CG-CH2 3.76Å; K120-W271 HydrophobicContact CG-CZ2 3.47Å; K120-W271 VanDerWaalsContact CG-CZ2 3.47Å; K120-W271 HydrophobicContact CG-CZ3 4.13Å; K120-W271 PolarHBondContact NZ-O 3.36Å; F123-W271 HydrophobicContact CB-CH2 4.31Å; F123-W271 HydrophobicContact CB-CZ3 4.04Å; F123-W271 AromaticContact CD1-CZ3 3.91Å; F123-W271 HydrophobicContact CD1-CZ3 3.91Å; F123-W271 HydrophobicContact CG-CZ3 4.18Å; L208-W271 HydrophobicContact CD1-CE3 4.46Å; L208-W271 HydrophobicContact CD1-CH2 3.46Å; L208-W271 VanDerWaalsContact CD1-CH2 3.46Å; L208-W271 HydrophobicContact CD1-CZ2 4.24Å; L208-W271 HydrophobicContact CD1-CZ3 3.6Å; V212-W271 HydrophobicContact CG1-CZ2 4.33Å; P244-W271 HydrophobicContact CB-CB 3.78Å; P244-W271 HydrophobicContact CB-CG 4.47Å; C245-W271 VanDerWaalsContact CB-CD1 3.44Å; C245-W271 HydrophobicContact CB-CD2 4.03Å; C245-W271 HydrophobicContact CB-CG 3.77Å; L248-W271 HydrophobicContact CD2-CE3 3.68Å; L248-W271 HydrophobicContact CD2-CZ3 4.3Å; C269-W271 PolarHBondContact O-N 3.34Å
272L87.6Confident74.1Confident0 Ų057 Ų570%032%0.323CS..THydrogen-bonded Turntrans-80.6-16.4178.8-72.3179.4000112.9K120 F123 A124 L127 M266 C269 V275 F277K120-L272 HydrophobicContact CB-CD2 4.34Å; F123-L272 HydrophobicContact CD1-CD1 4.18Å; F123-L272 HydrophobicContact CD1-CD2 4.22Å; F123-L272 HydrophobicContact CE1-CD1 4.5Å; A124-L272 HydrophobicContact CB-CD2 4.37Å; L127-L272 HydrophobicContact CD2-CD1 3.88Å; M266-L272 WeakPolarHBondContact O-CD1 3.41Å; C269-L272 PolarHBondContact O-N 3.01Å; L272-V275 VanDerWaalsContact O-CB 3.23Å; L272-V275 WeakPolarHBondContact O-CB 3.41Å; L272-V275 VanDerWaalsContact O-CG2 3.23Å; L272-V275 WeakPolarHBondContact O-CG2 3.5Å; L272-V275 PolarHBondContact O-N 3.4Å; L272-F277 HydrophobicContact CB-CZ 4.08Å; L272-F277 HydrophobicContact CD1-CE1 4.19Å; L272-F277 HydrophobicContact CD1-CZ 3.72Å; L272-F277 HydrophobicContact CG-CZ 4.44Å
273L81Confident71.7Confident111 Ų11158.4 Ų58.458%0.58133%0.328SS*.THydrogen-bonded Turntrans-63.8128.7166-59.5176.7000108.5C269C269-L273 PolarHBondContact O-N 3.39Å
274P72.4Confident69.3Low57 Ų5760.1 Ų60.137%0.3734%0.339SS..THydrogen-bonded Turncis-111.538.115.241.5-33000114.4E276 V359 R360P274-E276 PolarHBondContact O-N 3.31Å; P274-V359 HydrophobicContact CG-CG1 3.86Å; P274-R360 WeakPolarHBondContact CB-O 3.31Å; P274-R360 WeakPolarHBondContact CG-O 3.27Å
275V72.5Confident67Low9 Ų964 Ų646%0.05535%0.354CS..BIsolated β-bridgetrans-67.9118.1177.5-179.10000109K120 A124 L272 F277 P357 V359K120-V275 HydrophobicContact CB-CG2 3.96Å; A124-V275 HydrophobicContact CB-CG1 3.97Å; L272-V275 VanDerWaalsContact O-CB 3.23Å; L272-V275 WeakPolarHBondContact O-CB 3.41Å; L272-V275 VanDerWaalsContact O-CG2 3.23Å; L272-V275 WeakPolarHBondContact O-CG2 3.5Å; L272-V275 PolarHBondContact O-N 3.4Å; V275-F277 PolarHBondContact O-N 2.9Å; V275-P357 HydrophobicContact CG1-CB 3.68Å; V275-V359 HydrophobicContact CG2-CG2 4.15Å
276E66.2Low64.6Low97 Ų9764.1 Ų64.145%0.45337%0.365SS..  trans-74.2113.2164-74.6178.5-161.500107.2P274 P278 P357 V358 R360P274-E276 PolarHBondContact O-N 3.31Å; E276-P278 WeakPolarHBondContact O-CD 3.43Å; E276-P357 WeakPolarHBondContact O-CB 3.48Å; E276-V358 PolarHBondContact N-O 3.04Å; E276-R360 IonicContact OE1-CZ 2.86Å; E276-R360 IonicContact OE1-NE 3.37Å; E276-R360 PolarHBondContact OE1-NE 3.18Å; E276-R360 IonicContact OE1-NH2 2.97Å
277F59.3Low62.1Low58 Ų5868.7 Ų68.725%0.25439%0.394SS..  trans-67.1127.9177-69-90000108.5A124 L267 L272 V275 W279A124-F277 HydrophobicContact CB-CD1 3.97Å; A124-F277 HydrophobicContact CB-CE1 3.57Å; A124-F277 HydrophobicContact CB-CZ 4.43Å; L267-F277 HydrophobicContact CB-CZ 4.45Å; L267-F277 HydrophobicContact CD2-CD1 3.7Å; L267-F277 HydrophobicContact CD2-CE1 3.25Å; L267-F277 HydrophobicContact CD2-CE2 4.26Å; L267-F277 HydrophobicContact CD2-CG 4.37Å; L267-F277 HydrophobicContact CD2-CZ 3.57Å; L267-F277 WeakPolarHBondContact O-CE2 3.45Å; L272-F277 HydrophobicContact CB-CZ 4.08Å; L272-F277 HydrophobicContact CD1-CE1 4.19Å; L272-F277 HydrophobicContact CD1-CZ 3.72Å; L272-F277 HydrophobicContact CG-CZ 4.44Å; V275-F277 PolarHBondContact O-N 2.9Å; F277-W279 PolarHBondContact O-N 2.88Å
278P52.6Low60Low27 Ų2769.1 Ų69.118%0.17541%0.407CS..  trans-63100.116226.3-29.5000104.6E276 A280 P357E276-P278 WeakPolarHBondContact O-CD 3.43Å; P278-A280 PolarHBondContact O-N 3.49Å; P278-P357 HydrophobicContact CG-CG 3.9Å
279W50.4Low58.2Low187 Ų18769.7 Ų69.771%0.70840%0.4SS*.  trans-56.1132.417740.1-93.5000106.6F277 L281F277-W279 PolarHBondContact O-N 2.88Å; W279-L281 HydrophobicContact CZ3-CD2 4.17Å; W279-L281 PolarHBondContact O-N 3.26Å
280A47.8Very low56.1Low32 Ų3271.8 Ų71.826%0.26441%0.41SS..  trans-54.6134.6165.500000106.9P278 A282P278-A280 PolarHBondContact O-N 3.49Å; A280-A282 PolarHBondContact O-N 3.35Å
281L41.8Very low53.8Low61 Ų6172.8 Ų72.832%0.31941%0.411SS..  trans-39.3129.4152.1-67.1161000106W279W279-L281 HydrophobicContact CZ3-CD2 4.17Å; W279-L281 PolarHBondContact O-N 3.26Å
282A38.4Very low51.6Low81 Ų8176.2 Ų76.267%0.66944%0.436SS*.  trans-40140.3-17700000109.8A280A280-A282 PolarHBondContact O-N 3.35Å
283P39.4Very low49.6Very low79 Ų7979.7 Ų79.751%0.51345%0.454SS..PPolyproline II helixtrans-46120.4-179.519.5-31.1000107.1E285P283-E285 PolarHBondContact O-N 2.9Å
284P40.3Very low47.8Very low52 Ų5280.4 Ų80.434%0.33846%0.458SS..PPolyproline II helixtrans-56.5124.8-175.319.5-28.6000105.5
285E38.4Very low46.2Very low175 Ų17583.3 Ų83.382%0.81847%0.467SS*.PPolyproline II helixtrans-47.6136.2156.9-71.1-155.4163.300106P283P283-E285 PolarHBondContact O-N 2.9Å
286P38.9Very low44.8Very low115 Ų11587.8 Ų87.875%0.74750%0.498SS*.PPolyproline II helixtrans-46.7123.6-176.619.8-31.9000107.4G288P286-G288 PolarHBondContact O-N 3.47Å
287P40.1Very low43.6Very low95 Ų9591.4 Ų91.462%0.61752%0.515SS*.  trans-56.5107.2-169.517.2-29000108.4P289P287-P289 WeakPolarHBondContact O-CD 3.48Å
288G38.5Very low42.7Very low41 Ų41100.4 Ų100.442%0.42355%0.547SS..  trans-59.6116.2164.200000105.6P286 L290P286-G288 PolarHBondContact O-N 3.47Å; G288-L290 PolarHBondContact O-N 3.19Å
289P46Very low42.2Very low69 Ų69101 Ų10145%0.44856%0.559SS.*THydrogen-bonded Turntrans-67.32-157.4-23.333.4000116.8P287 T330P287-P289 WeakPolarHBondContact O-CD 3.48Å; P289-T330 HydrophobicContact CB-CG2 3.93Å; P289-T330 HydrophobicContact CG-CG2 4.25Å
290L42.9Very low42.5Very low61 Ų6197.3 Ų97.332%0.31955%0.553SS.*THydrogen-bonded Turntrans-159.6-3.4-173.6-95.2132.1000113.9G288 L293 L294G288-L290 PolarHBondContact O-N 3.19Å; L290-L293 PolarHBondContact O-N 3.27Å; L290-L294 HydrophobicContact CB-CD1 4.34Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.33Å; L290-L294 PolarHBondContact O-N 3.46Å
291Q42.6Very low43.2Very low118 Ų118102.9 Ų102.955%0.55157%0.574SS**Hα-helixtrans-79-35.4-168-148.4132.411.200112.2L293 L294 E295Q291-L293 VanDerWaalsContact C-N 3.26Å; Q291-L293 PolarHBondContact O-N 3.05Å; Q291-L294 PolarHBondContact O-N 2.94Å; Q291-E295 HydrophobicContact CG-CB 4.28Å; Q291-E295 WeakPolarHBondContact CG-OE2 3.28Å; Q291-E295 PolarHBondContact NE2-OE2 2.93Å; Q291-E295 WeakPolarHBondContact O-CA 3.5Å; Q291-E295 PolarHBondContact O-N 3.14Å
292S45.8Very low44.3Very low76 Ų76105.8 Ų105.853%0.53159%0.585SS.*Hα-helixtrans-67.1-26.9172.359.60000113.3
293L46Very low45.8Very low72 Ų72104.7 Ų104.738%0.37757%0.568SS.*Hα-helixtrans-83.6-13.2178.3-71.7168.8000113.8L290 Q291 L329L290-L293 PolarHBondContact O-N 3.27Å; Q291-L293 VanDerWaalsContact C-N 3.26Å; Q291-L293 PolarHBondContact O-N 3.05Å; L293-L329 HydrophobicContact CD1-CD1 4.49Å
294L44.5Very low47.6Very low126 Ų126105.2 Ų105.266%0.6656%0.564SS**Hα-helixtrans-129-17.9-173.2-70.4172.2000114.5L290 Q291L290-L294 HydrophobicContact CB-CD1 4.34Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.33Å; L290-L294 PolarHBondContact O-N 3.46Å; Q291-L294 PolarHBondContact O-N 2.94Å
295E38.1Very low49.7Very low119 Ų119106.9 Ų106.956%0.55657%0.567SS**  trans-133.4108.4179.3-69.3179.7171.600110Q291 E297Q291-E295 HydrophobicContact CG-CB 4.28Å; Q291-E295 WeakPolarHBondContact CG-OE2 3.28Å; Q291-E295 PolarHBondContact NE2-OE2 2.93Å; Q291-E295 WeakPolarHBondContact O-CA 3.5Å; Q291-E295 PolarHBondContact O-N 3.14Å; E295-E297 PolarHBondContact O-N 3.33Å
296S41.9Very low51.8Low103 Ų10399 Ų9972%0.7253%0.531SS*.  trans-72.663.9177.368.50000112.1
297E41.8Very low53.9Low172 Ų17295.7 Ų95.780%0.80451%0.506SS*.SBendtrans-138.6106167.7-69.2-160.9177.600111.7E295E295-E297 PolarHBondContact O-N 3.33Å
298R40.3Very low56.2Low247 Ų24796 Ų9693%0.93250%0.499SS*.SBendtrans100.433.3166-53.1179.8179.2-149.2-0.8118.5
299G42.3Very low58.6Low41 Ų4197.2 Ų97.242%0.42349%0.493SS..  trans-83.1146.3155.700000111.2
300N57Low60.7Low109 Ų10994 Ų9458%0.58347%0.472SS*.  trans-64.7146160.2-78.8-21.4000107.9E302 D303 E304N300-E302 PolarHBondContact O-N 3.27Å; N300-D303 PolarHBondContact O-N 3.26Å; N300-E304 PolarHBondContact O-N 3.26Å
301Q62.8Low62.8Low149 Ų14994.4 Ų94.470%0.69647%0.47SS*.Hα-helixtrans-53.6-31.3-179-167171-3.900113E305Q301-E305 WeakPolarHBondContact O-CG 2.98Å; Q301-E305 PolarHBondContact O-N 2.8Å
302E64.8Low65.1Low121 Ų12191.6 Ų91.657%0.56546%0.463SS*.Hα-helixtrans-67.5-36.2175-64.3179.7168.700113.4N300 V306N300-E302 PolarHBondContact O-N 3.27Å; E302-V306 VanDerWaalsContact O-CG2 3.29Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.48Å; E302-V306 VanDerWaalsContact O-N 3.1Å
303D70.4Confident67.3Low59 Ų5988.6 Ų88.632%0.31644%0.443SS..Hα-helixtrans-70.8-38.3179.6-69.6-44.1000110.8N300 V306 E307N300-D303 PolarHBondContact O-N 3.26Å; D303-V306 PolarHBondContact O-N 2.92Å; D303-E307 WeakPolarHBondContact O-CG 3.41Å; D303-E307 PolarHBondContact O-N 2.97Å
304E76.9Confident69.5Low90 Ų9085.3 Ų85.342%0.42143%0.426SS..Hα-helixtrans-63.6-43.9175.2-67.8-178.6177.800111.4N300 V306 E307 E308N300-E304 PolarHBondContact O-N 3.26Å; E304-V306 PolarHBondContact O-N 3.07Å; E304-E307 PolarHBondContact O-N 3.02Å; E304-E308 WeakPolarHBondContact O-CG 3.5Å; E304-E308 PolarHBondContact O-N 3.29Å
305E83.2Confident71.7Confident86 Ų8684.7 Ų84.740%0.40242%0.42SS..Hα-helixtrans-63.5-40.5177.4-73.4176.2178.400112.4Q301 E308 E309 W351Q301-E305 WeakPolarHBondContact O-CG 2.98Å; Q301-E305 PolarHBondContact O-N 2.8Å; E305-E308 PolarHBondContact O-N 2.83Å; E305-E309 PolarHBondContact O-N 3.37Å; E305-E309 VanDerWaalsContact O-N 3.13Å; E305-W351 HydrophobicContact CB-CH2 3.98Å; E305-W351 HydrophobicContact CB-CZ2 4.25Å; E305-W351 WeakPolarHBondContact OE2-CH2 3.41Å
306V83.9Confident74.3Confident10 Ų1086.8 Ų86.86%0.06143%0.429CS..Hα-helixtrans-62.2-43.6174.11670000110.9E302 D303 E304 E309 V310 L344 T347 Q348 W351E302-V306 VanDerWaalsContact O-CG2 3.29Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.48Å; E302-V306 VanDerWaalsContact O-N 3.1Å; D303-V306 PolarHBondContact O-N 2.92Å; E304-V306 PolarHBondContact O-N 3.07Å; V306-E309 PolarHBondContact O-N 2.96Å; V306-V310 WeakPolarHBondContact O-CG2 3.45Å; V306-V310 PolarHBondContact O-N 3.44Å; V306-V310 VanDerWaalsContact O-N 3.1Å; V306-L344 HydrophobicContact CG1-CD1 3.86Å; V306-T347 HydrophobicContact CB-CG2 4.28Å; V306-T347 HydrophobicContact CG1-CG2 3.86Å; V306-T347 HydrophobicContact CG2-CG2 4.24Å; V306-Q348 HydrophobicContact CG1-CG 3.97Å; V306-W351 HydrophobicContact CG2-CD2 4.06Å; V306-W351 HydrophobicContact CG2-CG 3.98Å
307E83.2Confident76.7Confident46 Ų4684.9 Ų84.922%0.21541%0.411CS..Hα-helixtrans-65.5-41.1179.4-76.6-168.9175.700112.8D303 E304 V310 R311D303-E307 WeakPolarHBondContact O-CG 3.41Å; D303-E307 PolarHBondContact O-N 2.97Å; E304-E307 PolarHBondContact O-N 3.02Å; E307-V310 PolarHBondContact O-N 3.49Å; E307-R311 WeakPolarHBondContact O-CB 3.29Å; E307-R311 PolarHBondContact O-N 3.19Å
308E86.6Confident79Confident101 Ų10179.3 Ų79.347%0.47240%0.4SS..Hα-helixtrans-60.2-46.1174.8-71.9-58.6139.700111.9E304 E305 V310 R311 S312E304-E308 WeakPolarHBondContact O-CG 3.5Å; E304-E308 PolarHBondContact O-N 3.29Å; E305-E308 PolarHBondContact O-N 2.83Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 3.48Å; E308-R311 PolarHBondContact O-N 2.88Å; E308-R311 IonicContact OE1-CZ 3.15Å; E308-R311 IonicContact OE1-NH1 2.65Å; E308-R311 PolarHBondContact OE1-NH1 3Å; E308-R311 IonicContact OE1-NH2 2.78Å; E308-R311 PolarHBondContact OE1-NH2 2.92Å; E308-R311 IonicContact OE2-CZ 3.62Å; E308-R311 IonicContact OE2-NH1 2.71Å; E308-R311 PolarHBondContact OE2-NH1 3.48Å; E308-R311 IonicContact OE2-NH2 3.94Å; E308-S312 PolarHBondContact O-N 3.19Å
309E89.9Confident81.4Confident66 Ų6669.1 Ų69.131%0.30836%0.362SS..Hα-helixtrans-61.5-40.5177.4-172.9-178.116000111.1E305 V306 A313 T347 R350 W351E305-E309 PolarHBondContact O-N 3.37Å; E305-E309 VanDerWaalsContact O-N 3.13Å; V306-E309 PolarHBondContact O-N 2.96Å; E309-A313 WeakPolarHBondContact O-CB 3.35Å; E309-A313 PolarHBondContact O-N 3.01Å; E309-T347 HydrophobicContact CB-CG2 4.09Å; E309-T347 HydrophobicContact CG-CG2 4.18Å; E309-T347 WeakPolarHBondContact OE2-CG2 3.14Å; E309-R350 IonicContact OE1-NH1 3.31Å; E309-R350 PolarHBondContact OE1-NH1 3.32Å; E309-W351 PolarHBondContact OE2-NE1 3.36Å; E309-W351 VanDerWaalsContact OE2-NE1 3.13Å
310V90.2Very high83.5Confident1 Ų170.3 Ų70.31%0.00636%0.361CS..Hα-helixtrans-65.5-40.5177.2174.10000111.3V306 E307 E308 A313 L314 Y340 L343 L344 T347V306-V310 WeakPolarHBondContact O-CG2 3.45Å; V306-V310 PolarHBondContact O-N 3.44Å; V306-V310 VanDerWaalsContact O-N 3.1Å; E307-V310 PolarHBondContact O-N 3.49Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 3.48Å; V310-A313 PolarHBondContact O-N 3.02Å; V310-L314 HydrophobicContact CG1-CD1 4.23Å; V310-L314 WeakPolarHBondContact O-CG 3.37Å; V310-L314 PolarHBondContact O-N 3.43Å; V310-Y340 HydrophobicContact CG1-CD2 3.62Å; V310-Y340 HydrophobicContact CG1-CE2 3.69Å; V310-L343 HydrophobicContact CG1-CB 4.09Å; V310-L344 HydrophobicContact CG2-CB 4.24Å; V310-L344 HydrophobicContact CG2-CD1 4.1Å; V310-T347 HydrophobicContact CG2-CG2 4.43Å
311R87.5Confident84.5Confident70 Ų7067.4 Ų67.426%0.26435%0.352SS..Hα-helixtrans-65.2-46.3178.1-162.9-176.3-46.8123.17.6111.4E307 E308 A313 L314 E315E307-R311 WeakPolarHBondContact O-CB 3.29Å; E307-R311 PolarHBondContact O-N 3.19Å; E308-R311 PolarHBondContact O-N 2.88Å; E308-R311 IonicContact OE1-CZ 3.15Å; E308-R311 IonicContact OE1-NH1 2.65Å; E308-R311 PolarHBondContact OE1-NH1 3Å; E308-R311 IonicContact OE1-NH2 2.78Å; E308-R311 PolarHBondContact OE1-NH2 2.92Å; E308-R311 IonicContact OE2-CZ 3.62Å; E308-R311 IonicContact OE2-NH1 2.71Å; E308-R311 PolarHBondContact OE2-NH1 3.48Å; E308-R311 IonicContact OE2-NH2 3.94Å; R311-A313 VanDerWaalsContact C-N 3.31Å; R311-A313 PolarHBondContact O-N 3.13Å; R311-L314 WeakPolarHBondContact O-CB 3.16Å; R311-L314 PolarHBondContact O-N 3.44Å; R311-L314 VanDerWaalsContact O-N 3.1Å; R311-E315 PolarHBondContact O-N 2.84Å
312S90.5Very high85.4Confident59 Ų5965.9 Ų65.941%0.41335%0.345SS..Hα-helixtrans-57.7-45174.9-177.80000111.4E308 L314 E315 E316E308-S312 PolarHBondContact O-N 3.19Å; S312-L314 VanDerWaalsContact C-N 3.31Å; S312-L314 PolarHBondContact O-N 2.89Å; S312-E315 PolarHBondContact O-N 3.39Å; S312-E316 WeakPolarHBondContact O-CG 3.47Å; S312-E316 PolarHBondContact O-N 3.39Å
313A92Very high86.2Confident14 Ų1464.3 Ų64.312%0.11634%0.338CS..Hα-helixtrans-64.4-31.7176.600000113.6E309 V310 R311 L317 L343E309-A313 WeakPolarHBondContact O-CB 3.35Å; E309-A313 PolarHBondContact O-N 3.01Å; V310-A313 PolarHBondContact O-N 3.02Å; R311-A313 VanDerWaalsContact C-N 3.31Å; R311-A313 PolarHBondContact O-N 3.13Å; A313-L317 VanDerWaalsContact O-CG 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.46Å; A313-L317 PolarHBondContact O-N 3.4Å; A313-L343 HydrophobicContact CB-CD1 4.13Å; A313-L343 HydrophobicContact CB-CD2 4.32Å
314L91.5Very high86.6Confident3 Ų362.6 Ų62.62%0.01633%0.329CS..Hα-helixtrans-69.3-41.8173.8-79.7167.2000111.7V310 R311 S312 L317 G318 F319 L324 V339 Y340 L343V310-L314 HydrophobicContact CG1-CD1 4.23Å; V310-L314 WeakPolarHBondContact O-CG 3.37Å; V310-L314 PolarHBondContact O-N 3.43Å; R311-L314 WeakPolarHBondContact O-CB 3.16Å; R311-L314 PolarHBondContact O-N 3.44Å; R311-L314 VanDerWaalsContact O-N 3.1Å; S312-L314 VanDerWaalsContact C-N 3.31Å; S312-L314 PolarHBondContact O-N 2.89Å; L314-L317 CarbonylContact O-C 3.59Å; L314-L317 PolarHBondContact O-N 2.75Å; L314-G318 PolarHBondContact O-N 3.15Å; L314-F319 HydrophobicContact CB-CB 4.26Å; L314-F319 HydrophobicContact CD2-CB 4.38Å; L314-F319 HydrophobicContact CD2-CD2 3.81Å; L314-F319 HydrophobicContact CD2-CE2 4.4Å; L314-F319 HydrophobicContact CD2-CG 4.2Å; L314-F319 WeakPolarHBondContact O-CB 3.44Å; L314-F319 PolarHBondContact O-N 2.89Å; L314-L324 HydrophobicContact CD1-CD1 4.1Å; L314-L324 HydrophobicContact CD1-CD2 3.8Å; L314-V339 HydrophobicContact CD2-CB 4.47Å; L314-V339 HydrophobicContact CD2-CG1 3.82Å; L314-Y340 HydrophobicContact CD1-CD2 3.9Å; L314-L343 HydrophobicContact CD2-CD1 3.71Å; L314-L343 HydrophobicContact CG-CD1 3.75Å
315E91.2Very high86.6Confident113 Ų11365 Ų6553%0.52833%0.334SS..Hα-helixtrans-64-41.6177-70.9178.4175.800111.7R311 S312 L317 G318R311-E315 PolarHBondContact O-N 2.84Å; S312-E315 PolarHBondContact O-N 3.39Å; E315-L317 PolarHBondContact O-N 2.9Å; E315-G318 WeakPolarHBondContact O-CA 3.48Å; E315-G318 PolarHBondContact O-N 3Å
316E92.7Very high86.3Confident162 Ų16266 Ų6676%0.75734%0.342SS*.Hα-helixtrans-59.9-31.7173.6-73.4-176.7170.900112.9S312 G318S312-E316 WeakPolarHBondContact O-CG 3.47Å; S312-E316 PolarHBondContact O-N 3.39Å; E316-G318 PolarHBondContact O-N 3.27Å
317L92.6Very high85.9Confident63 Ų6369.2 Ų69.233%0.3336%0.356SS..THydrogen-bonded Turntrans-81.6-2.4174.5-67.6177.3000113.2L41 T42 A313 L314 E315 F319 V339 L343L41-L317 HydrophobicContact CB-CD1 4.46Å; L41-L317 HydrophobicContact CB-CD2 4.35Å; T42-L317 HydrophobicContact CG2-CD1 3.97Å; A313-L317 VanDerWaalsContact O-CG 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.46Å; A313-L317 PolarHBondContact O-N 3.4Å; L314-L317 CarbonylContact O-C 3.59Å; L314-L317 PolarHBondContact O-N 2.75Å; E315-L317 PolarHBondContact O-N 2.9Å; L317-F319 HydrophobicContact CB-CD2 3.86Å; L317-F319 HydrophobicContact CB-CE2 3.95Å; L317-V339 HydrophobicContact CD1-CG1 4.02Å; L317-L343 HydrophobicContact CD1-CD1 4.06Å
318G90.7Very high85.3Confident56 Ų5672.1 Ų72.158%0.57737%0.37SS*.THydrogen-bonded Turntrans90.113177.100000115L314 E315 E316L314-G318 PolarHBondContact O-N 3.15Å; E315-G318 WeakPolarHBondContact O-CA 3.48Å; E315-G318 PolarHBondContact O-N 3Å; E316-G318 PolarHBondContact O-N 3.27Å
319F89.1Confident84.8Confident33 Ų3368.4 Ų68.415%0.14535%0.353CS..  trans-83.2121.5173.5-64.6-82.8000110.2L41 L314 L317 V336 V339L41-F319 HydrophobicContact CD1-CE2 4.04Å; L41-F319 HydrophobicContact CD1-CZ 3.89Å; L314-F319 HydrophobicContact CB-CB 4.26Å; L314-F319 HydrophobicContact CD2-CB 4.38Å; L314-F319 HydrophobicContact CD2-CD2 3.81Å; L314-F319 HydrophobicContact CD2-CE2 4.4Å; L314-F319 HydrophobicContact CD2-CG 4.2Å; L314-F319 WeakPolarHBondContact O-CB 3.44Å; L314-F319 PolarHBondContact O-N 2.89Å; L317-F319 HydrophobicContact CB-CD2 3.86Å; L317-F319 HydrophobicContact CB-CE2 3.95Å; F319-V336 HydrophobicContact CD1-CG1 4.15Å; F319-V336 HydrophobicContact CD1-CG2 4.38Å; F319-V336 HydrophobicContact CE1-CG1 4.32Å; F319-V336 HydrophobicContact CE1-CG2 4.03Å; F319-V339 HydrophobicContact CE2-CB 4.38Å; F319-V339 HydrophobicContact CE2-CG1 3.9Å; F319-V339 HydrophobicContact CE2-CG2 4.27Å; F319-V339 HydrophobicContact CZ-CB 4.39Å; F319-V339 HydrophobicContact CZ-CG1 4.39Å; F319-V339 HydrophobicContact CZ-CG2 3.96Å
320T85.9Confident84.1Confident65 Ų6568 Ų6840%0.39936%0.355SS..  trans-85.4158.7176.174.60000111.6E322 H323 L324T320-E322 PolarHBondContact O-N 3.16Å; T320-E322 VanDerWaalsContact O-N 3.12Å; T320-E322 PolarHBondContact OG1-N 3.39Å; T320-H323 PolarHBondContact N-ND1 2.93Å; T320-H323 WeakPolarHBondContact O-CB 3.26Å; T320-H323 PolarHBondContact O-N 3.33Å; T320-H323 PolarHBondContact OG1-CE1 3.46Å; T320-H323 PolarHBondContact OG1-ND1 3.47Å; T320-L324 PolarHBondContact O-N 3.36Å
321A78.8Confident83.8Confident48 Ų4871.5 Ų71.540%0.39737%0.374SS..Hα-helixtrans-55.1-29.7174.500000113.6L324 R325A321-L324 PolarHBondContact O-N 3.27Å; A321-R325 WeakPolarHBondContact O-CG 3.46Å; A321-R325 PolarHBondContact O-N 3.34Å
322E81.5Confident83.8Confident117 Ų11768.1 Ų68.155%0.54736%0.361SS..Hα-helixtrans-67.1-40.7174.9-168.6-178171.800112.3T320 L324 R325 N326T320-E322 PolarHBondContact O-N 3.16Å; T320-E322 VanDerWaalsContact O-N 3.12Å; T320-E322 PolarHBondContact OG1-N 3.39Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 PolarHBondContact O-N 3.2Å; E322-R325 PolarHBondContact O-N 2.84Å; E322-N326 WeakPolarHBondContact O-CB 3.27Å; E322-N326 PolarHBondContact O-N 3.09Å; E322-N326 PolarHBondContact O-ND2 3.44Å
323H81.7Confident83.9Confident88 Ų8870.2 Ų70.241%0.40736%0.36SS..Hα-helixtrans-60.9-40.4174.2-63.7103000111.3T320 H327T320-H323 PolarHBondContact N-ND1 2.93Å; T320-H323 WeakPolarHBondContact O-CB 3.26Å; T320-H323 PolarHBondContact O-N 3.33Å; T320-H323 PolarHBondContact OG1-CE1 3.46Å; T320-H323 PolarHBondContact OG1-ND1 3.47Å; H323-H327 PolarHBondContact O-CD2 3.19Å; H323-H327 VanDerWaalsContact O-CD2 3.28Å; H323-H327 PolarHBondContact O-N 3.22Å
324L78.9Confident83.8Confident24 Ų2469.8 Ų69.813%0.12636%0.356CS..Hα-helixtrans-65.7-45.1178.8-56.7179.5000111.5L314 T320 A321 E322 N326 H327 Q328 L329 V336L314-L324 HydrophobicContact CD1-CD1 4.1Å; L314-L324 HydrophobicContact CD1-CD2 3.8Å; T320-L324 PolarHBondContact O-N 3.36Å; A321-L324 PolarHBondContact O-N 3.27Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 PolarHBondContact O-N 3.2Å; L324-N326 PolarHBondContact O-N 2.92Å; L324-H327 PolarHBondContact O-N 2.59Å; L324-Q328 PolarHBondContact O-N 2.98Å; L324-L329 HydrophobicContact CD2-CD2 4.18Å; L324-V336 HydrophobicContact CD2-CG1 4.03Å
325R76.3Confident83.8Confident139 Ų13972 Ų7253%0.52537%0.371SS..Hα-helixtrans-61.9-43.4176.8-73.1-171.6-61.9-107.91.6112.6A321 E322 H327 Q328A321-R325 WeakPolarHBondContact O-CG 3.46Å; A321-R325 PolarHBondContact O-N 3.34Å; E322-R325 PolarHBondContact O-N 2.84Å; R325-H327 VanDerWaalsContact C-N 3.26Å; R325-H327 PolarHBondContact O-N 2.77Å; R325-Q328 PolarHBondContact O-N 3.47Å
326N77.6Confident83.8Confident109 Ų10967.3 Ų67.358%0.58335%0.35SS*.Hα-helixtrans-67.3-26.2-176.8-71.3-14000113.2E322 L324E322-N326 WeakPolarHBondContact O-CB 3.27Å; E322-N326 PolarHBondContact O-N 3.09Å; E322-N326 PolarHBondContact O-ND2 3.44Å; L324-N326 PolarHBondContact O-N 2.92Å
327H74.9Confident83.7Confident77 Ų7759.6 Ų59.636%0.35631%0.313SS..Hα-helixtrans-99.1-5.1-177.1-79.2-78000114.7H323 L324 R325 L329 S334 V336H323-H327 PolarHBondContact O-CD2 3.19Å; H323-H327 VanDerWaalsContact O-CD2 3.28Å; H323-H327 PolarHBondContact O-N 3.22Å; L324-H327 PolarHBondContact O-N 2.59Å; R325-H327 VanDerWaalsContact C-N 3.26Å; R325-H327 PolarHBondContact O-N 2.77Å; H327-L329 PolarHBondContact O-N 3.48Å; H327-S334 PolarHBondContact ND1-OG 3.5Å; H327-V336 HydrophobicContact CB-CB 4.33Å
328Q70.8Confident83.7Confident107 Ų10756.6 Ų56.650%0.530%0.298SS..THydrogen-bonded Turntrans54.1-3.6178.5-58.6178.72100116.3L324 R325 T330L324-Q328 PolarHBondContact O-N 2.98Å; R325-Q328 PolarHBondContact O-N 3.47Å; Q328-T330 WeakPolarHBondContact O-CG2 3.15Å; Q328-T330 PolarHBondContact O-N 3.26Å
329L76.9Confident83.9Confident23 Ų2354 Ų5412%0.1227%0.271CS..THydrogen-bonded Turntrans53.712.2179.5-54.2178.4000115.8L293 L324 H327 V336 T337 Y340L293-L329 HydrophobicContact CD1-CD1 4.49Å; L324-L329 HydrophobicContact CD2-CD2 4.18Å; H327-L329 PolarHBondContact O-N 3.48Å; L329-V336 HydrophobicContact CD2-CG1 4.23Å; L329-T337 VanDerWaalsContact O-CG2 3.26Å; L329-T337 WeakPolarHBondContact O-CG2 3.4Å; L329-Y340 HydrophobicContact CB-CD1 4.15Å; L329-Y340 HydrophobicContact CB-CE1 4.37Å; L329-Y340 HydrophobicContact CD1-CD1 4.09Å; L329-Y340 HydrophobicContact CD1-CD2 4.03Å; L329-Y340 HydrophobicContact CD1-CE1 4.22Å; L329-Y340 HydrophobicContact CD1-CE2 4.15Å; L329-Y340 HydrophobicContact CD1-CG 3.99Å; L329-Y340 HydrophobicContact CD2-CD1 4.41Å; L329-Y340 HydrophobicContact CD2-CG 4.21Å; L329-Y340 HydrophobicContact CG-CD1 4.45Å
330T74.4Confident84.1Confident56 Ų5654.2 Ų54.234%0.34427%0.271SS..THydrogen-bonded Turntrans-98.7-37.7179.449.90000112.3P289 Q328 S332 R341P289-T330 HydrophobicContact CB-CG2 3.93Å; P289-T330 HydrophobicContact CG-CG2 4.25Å; Q328-T330 WeakPolarHBondContact O-CG2 3.15Å; Q328-T330 PolarHBondContact O-N 3.26Å; T330-S332 PolarHBondContact O-N 3.3Å; T330-R341 PolarHBondContact O-NH2 3.49Å
331D84.8Confident84.4Confident75 Ų7552.5 Ų52.540%0.40126%0.257SS..  trans-69.3113.8-178.6179.119.4000111.4R333 S334 T337D331-R333 PolarHBondContact O-N 3.04Å; D331-R333 WeakPolarHBondContact OD1-CB 3.48Å; D331-R333 PolarHBondContact OD1-N 2.79Å; D331-S334 WeakPolarHBondContact O-CB 3.38Å; D331-S334 PolarHBondContact O-N 3.06Å; D331-T337 WeakPolarHBondContact O-CB 3.46Å; D331-T337 WeakPolarHBondContact O-CG2 3.33Å; D331-T337 PolarHBondContact O-OG1 3.22Å
332S87.4Confident85.2Confident0 Ų050.4 Ų50.40%024%0.239CC..THydrogen-bonded Turntrans-67.1-15.6177.567.20000113.3E72 E84 V85 T330 S334E72-S332 VanDerWaalsContact OE1-CB 3.24Å; E72-S332 WeakPolarHBondContact OE1-CB 3.34Å; E72-S332 PolarHBondContact OE1-OG 2.79Å; E84-S332 CarbonylContact C-O 3.52Å; E84-S332 VanDerWaalsContact CA-O 3.24Å; E84-S332 WeakPolarHBondContact CA-O 3.33Å; E84-S332 WeakPolarHBondContact CG-O 3.09Å; V85-S332 PolarHBondContact N-O 3.48Å; T330-S332 PolarHBondContact O-N 3.3Å; S332-S334 VanDerWaalsContact C-N 3.34Å
333R92Very high85.7Confident103 Ų10344.9 Ų44.939%0.38921%0.213SC..THydrogen-bonded Turntrans-86.3-7.4177.4-67171.3170.973.35.2113.4V85 E87 D331 P335V85-R333 HydrophobicContact CB-CG 4.07Å; V85-R333 HydrophobicContact CG1-CG 4.36Å; E87-R333 IonicContact OE1-CZ 3.49Å; E87-R333 VanDerWaalsContact OE1-CZ 3.24Å; E87-R333 IonicContact OE1-NE 3.55Å; E87-R333 PolarHBondContact OE1-NE 2.98Å; E87-R333 IonicContact OE1-NH2 3Å; E87-R333 PolarHBondContact OE1-NH2 3.02Å; D331-R333 PolarHBondContact O-N 3.04Å; D331-R333 WeakPolarHBondContact OD1-CB 3.48Å; D331-R333 PolarHBondContact OD1-N 2.79Å; R333-P335 WeakPolarHBondContact O-CD 3.48Å
334S91.3Very high86.2Confident5 Ų541.5 Ų41.54%0.03520%0.198CC..  trans-80.8125.2174.6171.10000110.7H327 D331 S332 V336 T337 G338H327-S334 PolarHBondContact ND1-OG 3.5Å; D331-S334 WeakPolarHBondContact O-CB 3.38Å; D331-S334 PolarHBondContact O-N 3.06Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S334-V336 PolarHBondContact O-N 3.07Å; S334-V336 PolarHBondContact OG-N 3.41Å; S334-T337 WeakPolarHBondContact CB-OG1 3.25Å; S334-T337 WeakPolarHBondContact O-CB 3.33Å; S334-T337 PolarHBondContact O-N 2.95Å; S334-T337 VanDerWaalsContact O-N 3.15Å; S334-T337 PolarHBondContact OG-N 2.89Å; S334-G338 PolarHBondContact O-N 3.27Å
335P91.4Very high86.7Confident50 Ų5040.6 Ų40.633%0.32519%0.193SC..Hα-helixtrans-60-32.1173.3-24.234.2000113F19 R333 G338 V339F19-P335 HydrophobicContact CD2-CB 3.95Å; F19-P335 HydrophobicContact CE2-CB 3.68Å; F19-P335 HydrophobicContact CE2-CG 4.31Å; R333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-G338 PolarHBondContact O-N 3.18Å; P335-V339 WeakPolarHBondContact O-CG2 3.44Å; P335-V339 PolarHBondContact O-N 3.03Å
336V90.9Very high87.3Confident13 Ų1337 Ų378%0.07918%0.18CC..Hα-helixtrans-64-43.6177.1-1760000110.4F319 L324 H327 L329 S334 G338 V339 Y340F319-V336 HydrophobicContact CD1-CG1 4.15Å; F319-V336 HydrophobicContact CD1-CG2 4.38Å; F319-V336 HydrophobicContact CE1-CG1 4.32Å; F319-V336 HydrophobicContact CE1-CG2 4.03Å; L324-V336 HydrophobicContact CD2-CG1 4.03Å; H327-V336 HydrophobicContact CB-CB 4.33Å; L329-V336 HydrophobicContact CD2-CG1 4.23Å; S334-V336 PolarHBondContact O-N 3.07Å; S334-V336 PolarHBondContact OG-N 3.41Å; V336-G338 VanDerWaalsContact C-N 3.29Å; V336-G338 PolarHBondContact O-N 3.03Å; V336-V339 PolarHBondContact O-N 2.8Å; V336-Y340 PolarHBondContact O-N 3.11Å
337T90.4Very high87.8Confident0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-60.8-40.8173.7-56.20000111L329 D331 S334 Y340 R341L329-T337 VanDerWaalsContact O-CG2 3.26Å; L329-T337 WeakPolarHBondContact O-CG2 3.4Å; D331-T337 WeakPolarHBondContact O-CB 3.46Å; D331-T337 WeakPolarHBondContact O-CG2 3.33Å; D331-T337 PolarHBondContact O-OG1 3.22Å; S334-T337 WeakPolarHBondContact CB-OG1 3.25Å; S334-T337 WeakPolarHBondContact O-CB 3.33Å; S334-T337 PolarHBondContact O-N 2.95Å; S334-T337 VanDerWaalsContact O-N 3.15Å; S334-T337 PolarHBondContact OG-N 2.89Å; T337-Y340 PolarHBondContact O-N 3.36Å; T337-R341 HydrophobicContact CG2-CG 4.2Å; T337-R341 WeakPolarHBondContact O-CB 3.35Å; T337-R341 WeakPolarHBondContact O-CG 3.44Å; T337-R341 PolarHBondContact O-N 3.38Å
338G92.8Very high88.2Confident0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-56.6-49.1174.200000113Y83 S334 P335 V336 R341 I342Y83-G338 WeakPolarHBondContact O-CA 3.41Å; S334-G338 PolarHBondContact O-N 3.27Å; P335-G338 PolarHBondContact O-N 3.18Å; V336-G338 VanDerWaalsContact C-N 3.29Å; V336-G338 PolarHBondContact O-N 3.03Å; G338-R341 PolarHBondContact O-N 3.27Å; G338-I342 VanDerWaalsContact O-CG1 3.26Å; G338-I342 WeakPolarHBondContact O-CG1 3.22Å; G338-I342 PolarHBondContact O-N 3.23Å; G338-I342 VanDerWaalsContact O-N 3.07Å
339V94.6Very high88.7Confident1 Ų127.2 Ų27.21%0.00613%0.13CC..Hα-helixtrans-60.3-49.7176.1-178.30000111.3L41 T42 L314 L317 F319 P335 V336 R341 I342 L343L41-V339 HydrophobicContact CD1-CG2 4.23Å; T42-V339 HydrophobicContact CG2-CG1 3.92Å; L314-V339 HydrophobicContact CD2-CB 4.47Å; L314-V339 HydrophobicContact CD2-CG1 3.82Å; L317-V339 HydrophobicContact CD1-CG1 4.02Å; F319-V339 HydrophobicContact CE2-CB 4.38Å; F319-V339 HydrophobicContact CE2-CG1 3.9Å; F319-V339 HydrophobicContact CE2-CG2 4.27Å; F319-V339 HydrophobicContact CZ-CB 4.39Å; F319-V339 HydrophobicContact CZ-CG1 4.39Å; F319-V339 HydrophobicContact CZ-CG2 3.96Å; P335-V339 WeakPolarHBondContact O-CG2 3.44Å; P335-V339 PolarHBondContact O-N 3.03Å; V336-V339 PolarHBondContact O-N 2.8Å; V339-R341 PolarHBondContact O-N 3.37Å; V339-I342 PolarHBondContact O-N 2.94Å; V339-L343 HydrophobicContact CG1-CD1 3.89Å; V339-L343 HydrophobicContact CG1-CG 4.32Å; V339-L343 WeakPolarHBondContact O-CG 3.4Å; V339-L343 PolarHBondContact O-N 3.49Å
340Y92.4Very high88.9Confident39 Ų3934 Ų3415%0.15315%0.154CC..Hα-helixtrans-56.5-49.8179.1168.3-105000111.7V310 L314 L329 V336 T337 I342 L343 L344V310-Y340 HydrophobicContact CG1-CD2 3.62Å; V310-Y340 HydrophobicContact CG1-CE2 3.69Å; L314-Y340 HydrophobicContact CD1-CD2 3.9Å; L329-Y340 HydrophobicContact CB-CD1 4.15Å; L329-Y340 HydrophobicContact CB-CE1 4.37Å; L329-Y340 HydrophobicContact CD1-CD1 4.09Å; L329-Y340 HydrophobicContact CD1-CD2 4.03Å; L329-Y340 HydrophobicContact CD1-CE1 4.22Å; L329-Y340 HydrophobicContact CD1-CE2 4.15Å; L329-Y340 HydrophobicContact CD1-CG 3.99Å; L329-Y340 HydrophobicContact CD2-CD1 4.41Å; L329-Y340 HydrophobicContact CD2-CG 4.21Å; L329-Y340 HydrophobicContact CG-CD1 4.45Å; V336-Y340 PolarHBondContact O-N 3.11Å; T337-Y340 PolarHBondContact O-N 3.36Å; Y340-I342 VanDerWaalsContact C-N 3.33Å; Y340-I342 PolarHBondContact O-N 3.27Å; Y340-L343 PolarHBondContact O-N 3.43Å; Y340-L344 HydrophobicContact CE1-CD2 4.15Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 3.18Å
341R92.8Very high88.9Confident29 Ų2936.9 Ų36.911%0.10916%0.158CC..Hα-helixtrans-63.8-35.7-179.5-71180-179.9-173.76.3112.9L82 Y83 T330 T337 G338 V339 H345L82-R341 PolarHBondContact O-NH1 3.09Å; L82-R341 VanDerWaalsContact O-NH1 3.14Å; Y83-R341 HydrophobicContact CD1-CB 3.99Å; Y83-R341 WeakPolarHBondContact O-CD 3.44Å; T330-R341 PolarHBondContact O-NH2 3.49Å; T337-R341 HydrophobicContact CG2-CG 4.2Å; T337-R341 WeakPolarHBondContact O-CB 3.35Å; T337-R341 WeakPolarHBondContact O-CG 3.44Å; T337-R341 PolarHBondContact O-N 3.38Å; G338-R341 PolarHBondContact O-N 3.27Å; V339-R341 PolarHBondContact O-N 3.37Å; R341-H345 VanDerWaalsContact O-CB 3.28Å; R341-H345 WeakPolarHBondContact O-CB 3.41Å; R341-H345 PolarHBondContact O-N 3.36Å; R341-H345 VanDerWaalsContact O-N 3.11Å
342I95Very high88Confident4 Ų434.8 Ų34.82%0.02116%0.155CC..Hα-helixtrans-64.5-48.5174.2-70.7167000110.3Y20 H39 T42 D44 V46 Y83 G338 V339 Y340 H345 R346Y20-I342 HydrophobicContact CE1-CD1 4.28Å; H39-I342 HydrophobicContact CB-CD1 4.12Å; T42-I342 HydrophobicContact CG2-CG2 4.28Å; D44-I342 HydrophobicContact CB-CG2 3.73Å; D44-I342 WeakPolarHBondContact OD2-CG2 3.05Å; V46-I342 HydrophobicContact CG1-CD1 4.27Å; Y83-I342 HydrophobicContact CD1-CG1 3.93Å; Y83-I342 HydrophobicContact CD2-CD1 4.22Å; Y83-I342 HydrophobicContact CD2-CG1 3.57Å; Y83-I342 HydrophobicContact CE1-CG1 4.4Å; Y83-I342 HydrophobicContact CE2-CG1 4.05Å; Y83-I342 HydrophobicContact CG-CD1 4.36Å; Y83-I342 HydrophobicContact CG-CG1 3.52Å; G338-I342 VanDerWaalsContact O-CG1 3.26Å; G338-I342 WeakPolarHBondContact O-CG1 3.22Å; G338-I342 PolarHBondContact O-N 3.23Å; G338-I342 VanDerWaalsContact O-N 3.07Å; V339-I342 PolarHBondContact O-N 2.94Å; Y340-I342 VanDerWaalsContact C-N 3.33Å; Y340-I342 PolarHBondContact O-N 3.27Å; I342-H345 PolarHBondContact O-N 3.01Å; I342-R346 WeakPolarHBondContact O-CB 3.49Å; I342-R346 PolarHBondContact O-N 3.16Å
343L93.5Very high86.9Confident1 Ų136.7 Ų36.71%0.00517%0.168CC..Hα-helixtrans-64.3-48.7-179.6-68.9176.3000111.6T42 V310 A313 L314 L317 V339 Y340 H345 R346 T347T42-L343 HydrophobicContact CG2-CD2 3.74Å; T42-L343 HydrophobicContact CG2-CG 4Å; V310-L343 HydrophobicContact CG1-CB 4.09Å; A313-L343 HydrophobicContact CB-CD1 4.13Å; A313-L343 HydrophobicContact CB-CD2 4.32Å; L314-L343 HydrophobicContact CD2-CD1 3.71Å; L314-L343 HydrophobicContact CG-CD1 3.75Å; L317-L343 HydrophobicContact CD1-CD1 4.06Å; V339-L343 HydrophobicContact CG1-CD1 3.89Å; V339-L343 HydrophobicContact CG1-CG 4.32Å; V339-L343 WeakPolarHBondContact O-CG 3.4Å; V339-L343 PolarHBondContact O-N 3.49Å; Y340-L343 PolarHBondContact O-N 3.43Å; L343-H345 VanDerWaalsContact C-N 3.3Å; L343-H345 PolarHBondContact O-N 3.4Å; L343-R346 VanDerWaalsContact CD2-CZ 3.47Å; L343-R346 WeakPolarHBondContact O-CB 3.44Å; L343-R346 PolarHBondContact O-N 3.28Å; L343-R346 VanDerWaalsContact O-N 3.1Å; L343-T347 PolarHBondContact O-N 3.33Å; L343-T347 PolarHBondContact O-OG1 3.28Å; L343-T347 VanDerWaalsContact O-OG1 3.12Å
344L90.4Very high85.5Confident16 Ų1632.8 Ų32.88%0.08416%0.155CC..Hα-helixtrans-52.7-49.6176.317965.7000111.5V306 V310 Y340 R346 T347 Q348V306-L344 HydrophobicContact CG1-CD1 3.86Å; V310-L344 HydrophobicContact CG2-CB 4.24Å; V310-L344 HydrophobicContact CG2-CD1 4.1Å; Y340-L344 HydrophobicContact CE1-CD2 4.15Å; Y340-L344 WeakPolarHBondContact O-CB 3.32Å; Y340-L344 PolarHBondContact O-N 3.18Å; L344-R346 PolarHBondContact O-N 3.37Å; L344-T347 PolarHBondContact O-N 3.14Å; L344-Q348 HydrophobicContact CD1-CG 4.45Å; L344-Q348 WeakPolarHBondContact O-CB 3.38Å; L344-Q348 VanDerWaalsContact O-CG 3.32Å; L344-Q348 WeakPolarHBondContact O-CG 3.46Å; L344-Q348 PolarHBondContact O-N 3.46Å
345H89.6Confident84Confident6 Ų635.9 Ų35.93%0.02818%0.176CC..Hα-helixtrans-64.4-40.8178.9179-136.3000113.1R81 Y83 E97 R341 I342 L343 T347 Q348 K349 D354R81-H345 PolarHBondContact NE-CD2 2.97Å; R81-H345 VanDerWaalsContact NH1-CB 3.34Å; R81-H345 PolarHBondContact NH1-CD2 3.24Å; R81-H345 VanDerWaalsContact NH1-CD2 3.25Å; Y83-H345 HydrophobicContact CE1-CB 4.12Å; Y83-H345 AromaticContact CE1-ND1 3.92Å; Y83-H345 AromaticContact CZ-ND1 3.67Å; Y83-H345 PolarHBondContact OH-CE1 3.24Å; Y83-H345 VanDerWaalsContact OH-CE1 3.22Å; Y83-H345 PolarHBondContact OH-ND1 2.9Å; E97-H345 IonicContact OE1-CE1 2.75Å; E97-H345 PolarHBondContact OE1-CE1 3.12Å; E97-H345 VanDerWaalsContact OE1-CE1 3.23Å; E97-H345 IonicContact OE1-NE2 3.71Å; E97-H345 IonicContact OE2-CE1 3.72Å; E97-H345 IonicContact OE2-NE2 3.89Å; R341-H345 VanDerWaalsContact O-CB 3.28Å; R341-H345 WeakPolarHBondContact O-CB 3.41Å; R341-H345 PolarHBondContact O-N 3.36Å; R341-H345 VanDerWaalsContact O-N 3.11Å; I342-H345 PolarHBondContact O-N 3.01Å; L343-H345 VanDerWaalsContact C-N 3.3Å; L343-H345 PolarHBondContact O-N 3.4Å; H345-T347 VanDerWaalsContact C-N 3.32Å; H345-T347 PolarHBondContact O-N 3.24Å; H345-Q348 PolarHBondContact O-N 2.7Å; H345-K349 WeakPolarHBondContact CE1-CE 3.47Å; H345-K349 PolarHBondContact CE1-NZ 3.48Å; H345-K349 VanDerWaalsContact CE1-NZ 3.34Å; H345-K349 WeakPolarHBondContact NE2-CE 3.19Å; H345-K349 WeakPolarHBondContact O-CB 3.34Å; H345-K349 WeakPolarHBondContact O-CG 3.22Å; H345-K349 PolarHBondContact O-N 2.67Å; H345-D354 IonicContact NE2-OD2 2.78Å
346R89.8Confident82.5Confident63 Ų6337.3 Ų37.324%0.23818%0.18CC..Hα-helixtrans-62.2-41.3176.9-176.5179.172-175.29.3111.5T42 D44 I342 L343 L344 K349 R350T42-R346 PolarHBondContact O-NH1 3.22Å; D44-R346 WeakPolarHBondContact OD1-CD 3.5Å; D44-R346 IonicContact OD2-NH1 3.18Å; D44-R346 PolarHBondContact OD2-NH1 2.99Å; I342-R346 WeakPolarHBondContact O-CB 3.49Å; I342-R346 PolarHBondContact O-N 3.16Å; L343-R346 VanDerWaalsContact CD2-CZ 3.47Å; L343-R346 WeakPolarHBondContact O-CB 3.44Å; L343-R346 PolarHBondContact O-N 3.28Å; L343-R346 VanDerWaalsContact O-N 3.1Å; L344-R346 PolarHBondContact O-N 3.37Å; R346-K349 PolarHBondContact O-N 3.38Å; R346-R350 WeakPolarHBondContact O-CG 3.38Å; R346-R350 PolarHBondContact O-N 3.46Å
347T87.4Confident81Confident2 Ų237.1 Ų37.11%0.01218%0.179CC..Hα-helixtrans-65-53.2176-56.70000110.1V306 E309 V310 L343 L344 H345 K349 R350 W351V306-T347 HydrophobicContact CB-CG2 4.28Å; V306-T347 HydrophobicContact CG1-CG2 3.86Å; V306-T347 HydrophobicContact CG2-CG2 4.24Å; E309-T347 HydrophobicContact CB-CG2 4.09Å; E309-T347 HydrophobicContact CG-CG2 4.18Å; E309-T347 WeakPolarHBondContact OE2-CG2 3.14Å; V310-T347 HydrophobicContact CG2-CG2 4.43Å; L343-T347 PolarHBondContact O-N 3.33Å; L343-T347 PolarHBondContact O-OG1 3.28Å; L343-T347 VanDerWaalsContact O-OG1 3.12Å; L344-T347 PolarHBondContact O-N 3.14Å; H345-T347 VanDerWaalsContact C-N 3.32Å; H345-T347 PolarHBondContact O-N 3.24Å; T347-K349 PolarHBondContact O-N 2.97Å; T347-K349 VanDerWaalsContact O-N 3.11Å; T347-R350 WeakPolarHBondContact O-CA 3.41Å; T347-R350 WeakPolarHBondContact O-CB 3.13Å; T347-R350 PolarHBondContact O-N 2.72Å; T347-W351 PolarHBondContact O-N 3.04Å; T347-W351 VanDerWaalsContact O-N 3.09Å
348Q84.4Confident79.4Confident20 Ų2041.1 Ų41.19%0.09320%0.204CC..Hα-helixtrans-53.6-37.6176.5-72.5174.8-17.100113.2V306 L344 H345 W351 G352 C353V306-Q348 HydrophobicContact CG1-CG 3.97Å; L344-Q348 HydrophobicContact CD1-CG 4.45Å; L344-Q348 WeakPolarHBondContact O-CB 3.38Å; L344-Q348 VanDerWaalsContact O-CG 3.32Å; L344-Q348 WeakPolarHBondContact O-CG 3.46Å; L344-Q348 PolarHBondContact O-N 3.46Å; H345-Q348 PolarHBondContact O-N 2.7Å; Q348-W351 CarbonylContact O-C 3.6Å; Q348-W351 PolarHBondContact O-N 3.22Å; Q348-G352 PolarHBondContact O-N 3.31Å; Q348-C353 HydrophobicContact CB-CB 4.22Å; Q348-C353 WeakPolarHBondContact O-CB 3.45Å; Q348-C353 PolarHBondContact O-N 3.21Å; Q348-C353 VanDerWaalsContact O-N 3.12Å
349K81.3Confident77.7Confident66 Ų6642.7 Ų42.729%0.28721%0.213SC..Hα-helixtrans-62.3-43.6173.5-85.2-174.8163.81730113.3E97 H345 R346 T347 W351 G352 D354E97-K349 WeakPolarHBondContact OE1-CE 3.46Å; E97-K349 IonicContact OE1-NZ 2.92Å; E97-K349 PolarHBondContact OE1-NZ 3.37Å; H345-K349 WeakPolarHBondContact CE1-CE 3.47Å; H345-K349 PolarHBondContact CE1-NZ 3.48Å; H345-K349 VanDerWaalsContact CE1-NZ 3.34Å; H345-K349 WeakPolarHBondContact NE2-CE 3.19Å; H345-K349 WeakPolarHBondContact O-CB 3.34Å; H345-K349 WeakPolarHBondContact O-CG 3.22Å; H345-K349 PolarHBondContact O-N 2.67Å; R346-K349 PolarHBondContact O-N 3.38Å; T347-K349 PolarHBondContact O-N 2.97Å; T347-K349 VanDerWaalsContact O-N 3.11Å; K349-W351 PolarHBondContact O-N 2.83Å; K349-G352 PolarHBondContact O-N 2.93Å; K349-G352 VanDerWaalsContact O-N 3.15Å; K349-D354 WeakPolarHBondContact CE-OD2 3.18Å; K349-D354 HydrophobicContact CG-CB 4.07Å; K349-D354 IonicContact NZ-OD2 3.8Å
350R80.6Confident75.3Confident166 Ų16650.7 Ų50.763%0.62624%0.243SC*.Hα-helixtrans-63.4-34.4177.2-71.5172.8175.7-177.6-4.1111.9E309 R346 T347 G352E309-R350 IonicContact OE1-NH1 3.31Å; E309-R350 PolarHBondContact OE1-NH1 3.32Å; R346-R350 WeakPolarHBondContact O-CG 3.38Å; R346-R350 PolarHBondContact O-N 3.46Å; T347-R350 WeakPolarHBondContact O-CA 3.41Å; T347-R350 WeakPolarHBondContact O-CB 3.13Å; T347-R350 PolarHBondContact O-N 2.72Å; R350-G352 PolarHBondContact O-N 2.84Å
351W73.4Confident73.1Confident115 Ų11552.7 Ų52.744%0.43628%0.276SS..THydrogen-bonded Turntrans-80.34.2177-7474.1000113.8E305 V306 E309 T347 Q348 K349E305-W351 HydrophobicContact CB-CH2 3.98Å; E305-W351 HydrophobicContact CB-CZ2 4.25Å; E305-W351 WeakPolarHBondContact OE2-CH2 3.41Å; V306-W351 HydrophobicContact CG2-CD2 4.06Å; V306-W351 HydrophobicContact CG2-CG 3.98Å; E309-W351 PolarHBondContact OE2-NE1 3.36Å; E309-W351 VanDerWaalsContact OE2-NE1 3.13Å; T347-W351 PolarHBondContact O-N 3.04Å; T347-W351 VanDerWaalsContact O-N 3.09Å; Q348-W351 CarbonylContact O-C 3.6Å; Q348-W351 PolarHBondContact O-N 3.22Å; K349-W351 PolarHBondContact O-N 2.83Å
352G67.1Low70.6Confident31 Ų3154.7 Ų54.732%0.3229%0.292SS..THydrogen-bonded Turntrans88.69.3169.700000116.1Q348 K349 R350 D354 S355Q348-G352 PolarHBondContact O-N 3.31Å; K349-G352 PolarHBondContact O-N 2.93Å; K349-G352 VanDerWaalsContact O-N 3.15Å; R350-G352 PolarHBondContact O-N 2.84Å; G352-D354 PolarHBondContact O-N 3.16Å; G352-D354 VanDerWaalsContact O-N 3.15Å; G352-S355 VanDerWaalsContact O-CB 3.27Å; G352-S355 WeakPolarHBondContact O-CB 3.38Å; G352-S355 PolarHBondContact O-N 3.29Å; G352-S355 PolarHBondContact O-OG 2.87Å
353C63.4Low67.7Low41 Ų4160.8 Ų60.828%0.27733%0.328SS..THydrogen-bonded Turntrans-59.1-25.4175.4-85.20000113.5P77 Q348P77-C353 WeakPolarHBondContact CB-O 3.45Å; Q348-C353 HydrophobicContact CB-CB 4.22Å; Q348-C353 WeakPolarHBondContact O-CB 3.45Å; Q348-C353 PolarHBondContact O-N 3.21Å; Q348-C353 VanDerWaalsContact O-N 3.12Å
354D62.2Low65Low21 Ų2170.8 Ų70.811%0.11237%0.366CS..THydrogen-bonded Turntrans-103.531.7176.7-8211.8000111.9P77 C155 K157 H345 K349 G352P77-D354 VanDerWaalsContact CA-OD1 3.3Å; P77-D354 WeakPolarHBondContact CA-OD1 3.31Å; P77-D354 WeakPolarHBondContact CB-OD1 3.43Å; C155-D354 PolarHBondContact SG-O 2.8Å; K157-D354 WeakPolarHBondContact CE-OD2 3.45Å; K157-D354 IonicContact NZ-OD1 3.83Å; K157-D354 PolarHBondContact NZ-OD1 3.32Å; K157-D354 IonicContact NZ-OD2 2.79Å; K157-D354 PolarHBondContact NZ-OD2 3.49Å; H345-D354 IonicContact NE2-OD2 2.78Å; K349-D354 WeakPolarHBondContact CE-OD2 3.18Å; K349-D354 HydrophobicContact CG-CB 4.07Å; K349-D354 IonicContact NZ-OD2 3.8Å; G352-D354 PolarHBondContact O-N 3.16Å; G352-D354 VanDerWaalsContact O-N 3.15Å
355S61Low62.5Low69 Ų6974.8 Ų74.848%0.48339%0.388SS..PPolyproline II helixtrans-75.8148.6175.8550000112.1G352G352-S355 VanDerWaalsContact O-CB 3.27Å; G352-S355 WeakPolarHBondContact O-CB 3.38Å; G352-S355 PolarHBondContact O-N 3.29Å; G352-S355 PolarHBondContact O-OG 2.87Å
356L59.1Low60.1Low80 Ų8079.5 Ų79.542%0.41942%0.419SS..PPolyproline II helixtrans-67138174.7-77.6170.3000110.1I121 V358I121-L356 HydrophobicContact CG2-CD2 4.08Å; L356-V358 PolarHBondContact O-N 3.39Å
357P59.8Low57.8Low9 Ų984.4 Ų84.46%0.05844%0.442CS..PPolyproline II helixtrans-49.7133.4169.6-22.625.3000111.7I121 Q125 V275 E276 P278I121-P357 HydrophobicContact CG2-CB 4.4Å; I121-P357 HydrophobicContact CG2-CG 3.95Å; Q125-P357 HydrophobicContact CG-CG 3.79Å; V275-P357 HydrophobicContact CG1-CB 3.68Å; E276-P357 WeakPolarHBondContact O-CB 3.48Å; P278-P357 HydrophobicContact CG-CG 3.9Å
358V57.9Low55.9Low84 Ų8493.3 Ų93.351%0.50948%0.475SS..PPolyproline II helixtrans-83.8129.9177.3-178.10000109.3E276 L356 R360E276-V358 PolarHBondContact N-O 3.04Å; L356-V358 PolarHBondContact O-N 3.39Å; V358-R360 HydrophobicContact CG1-CG 4.42Å
359V55.6Low53.8Low34 Ų3499.1 Ų99.121%0.20650%0.502CS..BIsolated β-bridgetrans-105.7106173.7-172.70000108.6I121 P274 V275 V362I121-V359 HydrophobicContact CD1-CG2 3.74Å; I121-V359 HydrophobicContact CG1-CG2 3.67Å; P274-V359 HydrophobicContact CG-CG1 3.86Å; V275-V359 HydrophobicContact CG2-CG2 4.15Å; V359-V362 HydrophobicContact CG1-CG2 3.85Å
360R45.5Very low51.7Low168 Ų16897.8 Ų97.863%0.63451%0.507SS*.  trans-82.1146.4176-69.2-169.9-172.4-137.8-4.4111.4P274 E276 V358P274-R360 WeakPolarHBondContact CB-O 3.31Å; P274-R360 WeakPolarHBondContact CG-O 3.27Å; E276-R360 IonicContact OE1-CZ 2.86Å; E276-R360 IonicContact OE1-NE 3.37Å; E276-R360 PolarHBondContact OE1-NE 3.18Å; E276-R360 IonicContact OE1-NH2 2.97Å; V358-R360 HydrophobicContact CG1-CG 4.42Å
361G45.5Very low49.8Very low82 Ų8295.9 Ų95.985%0.84551%0.509SS*.  trans92.78.5169.100000117.1
362V39.9Very low48.3Very low71 Ų71100.8 Ų100.843%0.4353%0.527SS..  trans-84.5115.1170.1-172.10000108.5V359 R364V359-V362 HydrophobicContact CG1-CG2 3.85Å; V362-R364 PolarHBondContact O-N 3.18Å
363V34Very low47.1Very low131 Ų131102.5 Ų102.579%0.79454%0.539SS*.  trans-56108.8163.1177.40000106.3D365V363-D365 PolarHBondContact O-N 2.97Å
364R36.6Very low45.8Very low212 Ų212109.6 Ų109.680%0.856%0.561SS**  trans-57114.3173.8-71.7-176.3178.7-169.61.3106.9V362 P366V362-R364 PolarHBondContact O-N 3.18Å; R364-P366 WeakPolarHBondContact O-CD 3.5Å; R364-P366 VanDerWaalsContact O-N 3.14Å
365D38.5Very low45Very low100 Ų100119.9 Ų119.954%0.53560%0.598SS.*  trans-67.3108.1173.6-174.6-6.2000108.2V363 K367 R368V363-D365 PolarHBondContact O-N 2.97Å; D365-K367 PolarHBondContact O-N 2.86Å; D365-K367 WeakPolarHBondContact OD1-CB 3.13Å; D365-K367 PolarHBondContact OD1-N 3.49Å; D365-K367 VanDerWaalsContact OD1-N 3.16Å; D365-R368 PolarHBondContact O-N 3.09Å
366P39.4Very low44.1Very low104 Ų104119.9 Ų119.968%0.67561%0.609SS**THydrogen-bonded Turntrans-64.4-16.4-174.5-1731.6000112.2R364 R368R364-P366 WeakPolarHBondContact O-CD 3.5Å; R364-P366 VanDerWaalsContact O-N 3.14Å; P366-R368 VanDerWaalsContact C-N 3.34Å; P366-R368 PolarHBondContact O-N 3.27Å
367K41.9Very low43.4Very low167 Ų167122.4 Ų122.473%0.72662%0.622SS**Hα-helixtrans-76.4-18.7-174.3-65.4-177.1177.5179.50113.5D365D365-K367 PolarHBondContact O-N 2.86Å; D365-K367 WeakPolarHBondContact OD1-CB 3.13Å; D365-K367 PolarHBondContact OD1-N 3.49Å; D365-K367 VanDerWaalsContact OD1-N 3.16Å
368R46.2Very low42.2Very low188 Ų188133 Ų13371%0.70966%0.661SS**Hα-helixtrans-83.9-23.4-177-130.8177.4178.8-162.4-2113.9D365 P366D365-R368 PolarHBondContact O-N 3.09Å; P366-R368 VanDerWaalsContact C-N 3.34Å; P366-R368 PolarHBondContact O-N 3.27Å
369E41Very low41Very low142 Ų142136 Ų13666%0.66467%0.669SS**Hα-helixtrans-77.6-36173.5-76.9-177.7170.200112.1L371 R372 A373E369-L371 PolarHBondContact O-N 3.17Å; E369-R372 PolarHBondContact O-N 2.94Å; E369-R372 VanDerWaalsContact O-N 3.14Å; E369-A373 PolarHBondContact O-N 2.89Å
370G37.4Very low40.1Very low38 Ų38141.4 Ų141.439%0.39270%0.702SS.*Hα-helixtrans-60.8-31176.400000113.9Y374G370-Y374 PolarHBondContact O-N 3.31Å
371L40.1Very low39.3Very low127 Ų127138.2 Ų138.267%0.66571%0.706SS**Hα-helixtrans-78.9-19.5178.9-79.9153.6000113.8E369E369-L371 PolarHBondContact O-N 3.17Å
372R43.3Very low38.8Very low218 Ų218143.3 Ų143.382%0.82371%0.705SS**Hα-helixtrans-81.2-33.7169.9-77.2-175.3177.9-177.4-1.1111.8E369 Y374E369-R372 PolarHBondContact O-N 2.94Å; E369-R372 VanDerWaalsContact O-N 3.14Å; R372-Y374 VanDerWaalsContact C-N 3.3Å; R372-Y374 PolarHBondContact O-N 3.37Å
373A41.8Very low38.3Very low67 Ų67150.3 Ų150.355%0.55473%0.73SS**Hα-helixtrans-66.4-28.4177.600000113.5E369E369-A373 PolarHBondContact O-N 2.89Å
374Y36.1Very low38.1Very low190 Ų190149.4 Ų149.475%0.74573%0.728SS**G310 helixtrans-91.6-6.3-178.3-89.9-86.9000115.8G370 R372 G376G370-Y374 PolarHBondContact O-N 3.31Å; R372-Y374 VanDerWaalsContact C-N 3.3Å; R372-Y374 PolarHBondContact O-N 3.37Å; Y374-G376 VanDerWaalsContact C-N 3.27Å
375R44.3Very low37.8Very low237 Ų237145 Ų14589%0.89473%0.725SS**G310 helixtrans-81.4-4.6171.4-81.6-172.3179.5-170-0.2113.7
376G41.6Very low37.3Very low69 Ų69147.8 Ų147.871%0.71174%0.739SS**G310 helixtrans-93.70.7177.500000115.6Y374Y374-G376 VanDerWaalsContact C-N 3.27Å
377L45.1Very low37Very low132 Ų132152 Ų15269%0.69177%0.77SS**  trans-132.3106.2-177.1-87.8129.5000111.3
378R34.6Very low36.8Very low231 Ų231151.3 Ų151.387%0.87277%0.773SS**  trans136.6121.9163.7-81.6172.7-166.9-122.47108.6
379H33.4Very low36.3Very low147 Ų147149.3 Ų149.368%0.68178%0.776SS**  cis-152.9126.810.2-102.9-85.6000107.7S381H379-S381 PolarHBondContact O-N 2.69Å
380T36.1Very low36Very low148 Ų148149.7 Ų149.791%0.90878%0.782SS**  trans-81.985.4157.840.20000108.3
381S29.4Very low35.9Very low101 Ų101156.3 Ų156.371%0.70681%0.805SS**  trans-97.290.6165.8-67.60000108.9H379H379-S381 PolarHBondContact O-N 2.69Å
382K35.1Very low35.7Very low190 Ų190158.1 Ų158.183%0.82681%0.814SS**  trans-68.2123.4150.9-75.1178.8174.7179.10106.6
383F29.2Very low35.2Very low217 Ų217154.1 Ų154.195%0.95281%0.813SS**  trans-156.1134.9137.3-102.1-73.4000110.2
384C28.8Very low34.7Very low112 Ų112160.4 Ų160.476%0.75783%0.832SS**  trans-91.7146-177.5-91.50000111.4
385V30.4Very low34.6Very low121 Ų121158.1 Ų158.173%0.73384%0.839SS**  trans47.7145.8134.7-151.80000121.3
386L29Very low33.8Very low158 Ų158151.5 Ų151.583%0.82783%0.834SS**  trans88.1127162.3-51.2168.7000113.2
387S32.9Very low33.1Very low192 Ų192159 Ų159100%1.34385%0.845SS**  cis-144.9021.5-53.70000110.8

Retrieved 387 of 387 residues in 565.6 ms (Link to these results)

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