A0A087X7I2_POEFO Loading...

Phosphoribosyl pyrophosphate synthetase associated protein 1

AlphaFold DB , UniProt , Accession A0A087X7I2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M34.5Very low66Low234 Ų234101.9 Ų101.9100%1.15351%0.505SS*.  0119.80-76.5171.1-171.900107I3M1-I3 PolarHBondContact O-N 2.95Å; M1-I3 VanDerWaalsContact O-N 3.15Å
2N29.6Very low68.6Low171 Ų17194.3 Ų94.391%0.91447%0.469SS*.  trans-71.1107.1177.8-82.3-18.3000108.3S4N2-S4 VanDerWaalsContact C-N 3.32Å; N2-S4 PolarHBondContact O-N 3.15Å
3I41.9Very low70.8Confident128 Ų12887.1 Ų87.166%0.65643%0.433SS*.  trans-64.697.9167.8-59.9167000105.4M1 R5M1-I3 PolarHBondContact O-N 2.95Å; M1-I3 VanDerWaalsContact O-N 3.15Å; I3-R5 PolarHBondContact O-N 2.81Å
4S42.7Very low72.6Confident96 Ų9681.6 Ų81.667%0.67141%0.406SS*.  trans-54.7124.2166.556.60000106.4N2 S6N2-S4 VanDerWaalsContact C-N 3.32Å; N2-S4 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact O-N 3.18Å
5R51.9Low73.7Confident235 Ų23579.9 Ų79.989%0.88741%0.406SS*.  trans-52.9104.5171.1-91.5179.3167.9171.3-3.7107.5I3 D7I3-R5 PolarHBondContact O-N 2.81Å; R5-D7 PolarHBondContact O-N 3.18Å
6S61Low74.7Confident31 Ų3177.9 Ų77.922%0.21740%0.401CS..  trans-60.9133.7172.3-15.20000107.4S4 Y8 V32S4-S6 PolarHBondContact O-N 3.18Å; S6-Y8 PolarHBondContact O-N 3.44Å; S6-Y8 VanDerWaalsContact O-N 3.09Å; S6-V32 VanDerWaalsContact OG-CG1 3.29Å; S6-V32 WeakPolarHBondContact OG-CG1 3.44Å
7D81.5Confident75.4Confident126 Ų12680.1 Ų80.167%0.67442%0.419SS*.SBendtrans-71.93.9178.7-99.2-14.2000113R5R5-D7 PolarHBondContact O-N 3.18Å
8Y91.1Very high76Confident20 Ų2079.1 Ų79.18%0.07842%0.424CS..EExtended strand (participates in β ladder)trans-123.9157.3175.270.3-81.9000112.4S6 V10 L30 V32 D60 F62 I337 H341S6-Y8 PolarHBondContact O-N 3.44Å; S6-Y8 VanDerWaalsContact O-N 3.09Å; Y8-V10 HydrophobicContact CD2-CG2 3.86Å; Y8-V10 HydrophobicContact CE2-CG2 3.67Å; Y8-L30 HydrophobicContact CE2-CD1 4.23Å; Y8-V32 HydrophobicContact CE2-CG1 4.42Å; Y8-D60 CarbonylContact C-O 3.51Å; Y8-D60 WeakPolarHBondContact CA-O 3.29Å; Y8-D60 WeakPolarHBondContact CB-O 3.34Å; Y8-F62 AromaticContact CD2-CD2 3.75Å; Y8-F62 HydrophobicContact CD2-CD2 3.75Å; Y8-F62 AromaticContact CD2-CE2 3.84Å; Y8-F62 HydrophobicContact CD2-CE2 3.84Å; Y8-F62 HydrophobicContact CG-CD2 4.33Å; Y8-F62 HydrophobicContact CG-CE2 4.05Å; Y8-I337 HydrophobicContact CE2-CG2 4.09Å; Y8-H341 HydrophobicContact CD1-CB 4.35Å; Y8-H341 AromaticContact CD1-CD2 3.39Å; Y8-H341 WeakPolarHBondContact CD1-CD2 3.37Å; Y8-H341 AromaticContact CD1-CE1 3.72Å; Y8-H341 AromaticContact CD1-CG 3.57Å; Y8-H341 AromaticContact CD1-ND1 3.78Å; Y8-H341 AromaticContact CD1-NE2 3.47Å; Y8-H341 WeakPolarHBondContact CD1-NE2 3.42Å; Y8-H341 AromaticContact CE1-CD2 3.79Å
9R95.9Very high76.7Confident79 Ų7975.2 Ų75.230%0.29840%0.404SS..EExtended strand (participates in β ladder)trans-121.1146174-63.8-59.7-16217314.2111.2F11 E54 Q59 D60 I61 F62R9-F11 HydrophobicContact CB-CD2 4.32Å; R9-F11 HydrophobicContact CB-CE2 3.68Å; R9-F11 HydrophobicContact CB-CZ 4.4Å; R9-E54 IonicContact CZ-OE2 3.17Å; R9-E54 IonicContact NE-OE2 3.21Å; R9-E54 PolarHBondContact NE-OE2 2.96Å; R9-E54 IonicContact NH2-OE2 2.92Å; R9-E54 PolarHBondContact NH2-OE2 3.48Å; R9-Q59 VanDerWaalsContact CG-OE1 3.23Å; R9-D60 PolarHBondContact N-O 3.45Å; R9-I61 HydrophobicContact CB-CD1 3.79Å; R9-I61 HydrophobicContact CG-CD1 4.22Å; R9-I61 CarbonylContact O-C 3.59Å; R9-I61 WeakPolarHBondContact O-CA 3.34Å; R9-F62 PolarHBondContact O-N 3.02Å
10V97.6Very high77.5Confident1 Ų172.5 Ų72.51%0.00639%0.39CS..EExtended strand (participates in β ladder)trans-118.7122.5176.9-173.10000108.5Y8 T27 L30 V32 L34 G35 F62 I64Y8-V10 HydrophobicContact CD2-CG2 3.86Å; Y8-V10 HydrophobicContact CE2-CG2 3.67Å; V10-T27 HydrophobicContact CB-CG2 3.93Å; V10-T27 HydrophobicContact CG1-CG2 3.78Å; V10-T27 HydrophobicContact CG2-CG2 4.43Å; V10-L30 HydrophobicContact CG2-CD1 4.38Å; V10-V32 HydrophobicContact CG2-CG2 4.11Å; V10-L34 HydrophobicContact CG1-CD2 4.16Å; V10-L34 CarbonylContact O-C 3.58Å; V10-L34 WeakPolarHBondContact O-CA 3.46Å; V10-G35 PolarHBondContact O-N 3.47Å; V10-F62 CarbonylContact C-O 3.5Å; V10-F62 WeakPolarHBondContact CA-O 3.17Å; V10-F62 HydrophobicContact CG1-CB 4.47Å; V10-F62 HydrophobicContact CG2-CB 4.34Å; V10-I64 HydrophobicContact CG1-CD1 3.42Å; V10-I64 VanDerWaalsContact CG1-CD1 3.42Å; V10-I64 HydrophobicContact CG1-CG1 3.88Å
11F98Very high78.4Confident0 Ų072.5 Ų72.50%039%0.388CS..EExtended strand (participates in β ladder)trans-114.1155.2174.3-66.7-91.9000109.7R9 V52 E54 V56 I61 F62 I64 M81 L85R9-F11 HydrophobicContact CB-CD2 4.32Å; R9-F11 HydrophobicContact CB-CE2 3.68Å; R9-F11 HydrophobicContact CB-CZ 4.4Å; F11-V52 HydrophobicContact CE1-CG1 3.94Å; F11-V52 HydrophobicContact CZ-CG1 3.98Å; F11-E54 HydrophobicContact CE1-CG 4.27Å; F11-E54 HydrophobicContact CZ-CG 3.94Å; F11-V56 HydrophobicContact CE2-CG1 3.8Å; F11-V56 HydrophobicContact CZ-CG1 3.7Å; F11-I61 HydrophobicContact CD2-CG2 3.5Å; F11-I61 VanDerWaalsContact CD2-CG2 3.5Å; F11-I61 HydrophobicContact CE2-CD1 4.34Å; F11-I61 HydrophobicContact CE2-CG2 3.76Å; F11-F62 PolarHBondContact N-O 3.09Å; F11-I64 PolarHBondContact O-N 3.02Å; F11-M81 HydrophobicContact CB-SD 3.9Å; F11-L85 HydrophobicContact CD2-CD2 4.49Å; F11-L85 HydrophobicContact CE2-CD2 4.19Å
12S97.8Very high81.3Confident11 Ų1161.7 Ų61.78%0.07733%0.334CS..EExtended strand (participates in β ladder)trans-107.2129.3163.9-177.30000108.7N14 I64 M81S12-N14 VanDerWaalsContact C-N 3.27Å; S12-N14 PolarHBondContact OG-N 3.49Å; S12-I64 WeakPolarHBondContact CA-O 3.5Å; S12-M81 WeakPolarHBondContact O-CE 3.49Å
13A96.9Very high84.6Confident0 Ų053.6 Ų53.60%029%0.291CS..  trans-83.6-3.4174.400000112.7V39 I63 I64 Q65 E77 M81A13-V39 WeakPolarHBondContact O-CG1 3.36Å; A13-I63 HydrophobicContact CB-CG2 3.69Å; A13-I64 PolarHBondContact N-O 2.73Å; A13-I64 VanDerWaalsContact N-O 3.07Å; A13-Q65 HydrophobicContact CB-CB 4.47Å; A13-Q65 VanDerWaalsContact CB-OE1 3.26Å; A13-E77 WeakPolarHBondContact O-CB 3.44Å; A13-M81 HydrophobicContact CB-CB 4.32Å; A13-M81 HydrophobicContact CB-CE 4.12Å; A13-M81 HydrophobicContact CB-SD 3.72Å
14N95.6Very high87.2Confident10 Ų1051.4 Ų51.45%0.05328%0.277CS..  trans-77.7133.1-177.1-69.6119.2000112S12 C19 T20 Q65 T66S12-N14 VanDerWaalsContact C-N 3.27Å; S12-N14 PolarHBondContact OG-N 3.49Å; N14-C19 HydrophobicContact CB-CB 3.63Å; N14-C19 PolarHBondContact OD1-O 2.58Å; N14-T20 HydrophobicContact CB-CG2 4.11Å; N14-Q65 PolarHBondContact ND2-OE1 2.92Å; N14-Q65 PolarHBondContact OD1-OE1 3.21Å; N14-T66 PolarHBondContact ND2-O 3.43Å; N14-T66 PolarHBondContact OD1-N 3.5Å; N14-T66 PolarHBondContact OD1-OG1 3.17Å; N14-T66 VanDerWaalsContact OD1-OG1 3.11Å
15S90.1Very high89.8Confident57 Ų5750.7 Ų50.740%0.39926%0.259SS..SBendtrans-79.9-26.2174.352.10000114.5V39 E77S15-V39 WeakPolarHBondContact CB-O 3.49Å; S15-E77 WeakPolarHBondContact CB-OE1 3.25Å; S15-E77 PolarHBondContact OG-OE1 3.41Å
16S89.4Confident91.9Very high48 Ų4839.5 Ų39.534%0.33622%0.217SC..SBendtrans-98.3141-176.970.80000113A18 C19 T20S16-A18 VanDerWaalsContact C-N 3.33Å; S16-A18 PolarHBondContact O-N 2.75Å; S16-C19 PolarHBondContact O-N 2.74Å; S16-C19 WeakPolarHBondContact OG-CB 3.47Å; S16-C19 PolarHBondContact OG-SG 3.26Å; S16-T20 PolarHBondContact O-N 2.93Å
17T86.1Confident93.6Very high115 Ų11538.4 Ų38.471%0.70621%0.209SC*.Hα-helixtrans-59.9-40.2-177.150.70000113C19 T20T17-C19 PolarHBondContact O-N 2.8Å; T17-T20 PolarHBondContact O-N 3.14Å; T17-T20 VanDerWaalsContact O-N 3.08Å; T17-T20 PolarHBondContact O-OG1 2.73Å
18A85.8Confident94.3Very high61 Ų6139.2 Ų39.250%0.50421%0.209SC..Hα-helixtrans-58.9-35.3176.500000112.5S16 T20S16-A18 VanDerWaalsContact C-N 3.33Å; S16-A18 PolarHBondContact O-N 2.75Å; A18-T20 VanDerWaalsContact C-N 3.34Å
19C89.6Confident94.5Very high6 Ų644.1 Ų44.14%0.04123%0.227CC..Hα-helixtrans-80.3-16.1179.2-62.60000113.3N14 S16 T17 T66 P313N14-C19 HydrophobicContact CB-CB 3.63Å; N14-C19 PolarHBondContact OD1-O 2.58Å; S16-C19 PolarHBondContact O-N 2.74Å; S16-C19 WeakPolarHBondContact OG-CB 3.47Å; S16-C19 PolarHBondContact OG-SG 3.26Å; T17-C19 PolarHBondContact O-N 2.8Å; C19-T66 WeakPolarHBondContact CB-OG1 3.27Å; C19-T66 PolarHBondContact O-OG1 3.2Å; C19-P313 HydrophobicContact CB-CG 4.21Å
20T93.6Very high94.5Very high20 Ų2041.8 Ų41.812%0.12322%0.22CC..Hα-helixtrans-83.5-9.4175.665.40000114N14 S16 T17 A18 L22 A23 K24N14-T20 HydrophobicContact CB-CG2 4.11Å; S16-T20 PolarHBondContact O-N 2.93Å; T17-T20 PolarHBondContact O-N 3.14Å; T17-T20 VanDerWaalsContact O-N 3.08Å; T17-T20 PolarHBondContact O-OG1 2.73Å; A18-T20 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.49Å; T20-A23 WeakPolarHBondContact O-CB 3.39Å; T20-A23 PolarHBondContact O-N 3.23Å; T20-A23 VanDerWaalsContact O-N 3.11Å; T20-K24 WeakPolarHBondContact O-CG 3.33Å; T20-K24 PolarHBondContact O-N 3.49Å
21E95.3Very high94.3Very high74 Ų7444.4 Ų44.435%0.34625%0.247SC..Hα-helixtrans-58.1-46.9-173.9177.759.1-163.700112.6A23 K24 R25E21-A23 VanDerWaalsContact C-N 3.31Å; E21-A23 PolarHBondContact O-N 3.03Å; E21-K24 PolarHBondContact O-N 2.85Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 VanDerWaalsContact O-N 3.08Å; E21-R25 IonicContact OE1-CZ 2.85Å; E21-R25 IonicContact OE1-NE 3.82Å; E21-R25 PolarHBondContact OE1-NE 2.83Å; E21-R25 IonicContact OE1-NH2 3.79Å; E21-R25 PolarHBondContact OE1-NH2 3.1Å; E21-R25 VanDerWaalsContact OE1-NH2 3.08Å
22L96.9Very high94.2Very high7 Ų745.4 Ų45.44%0.03725%0.254CS..Hα-helixtrans-63.8-38.7177.7-179.362.8000111.8T20 K24 R25 I26 T66 P98 L333T20-L22 PolarHBondContact O-N 3.49Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.28Å; L22-R25 PolarHBondContact O-N 3.37Å; L22-I26 HydrophobicContact CD1-CD1 4.16Å; L22-I26 HydrophobicContact CD1-CG1 4.37Å; L22-I26 HydrophobicContact CD2-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 3.86Å; L22-I26 HydrophobicContact CG-CG1 4.5Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.38Å; L22-T66 HydrophobicContact CB-CG2 4.03Å; L22-T66 HydrophobicContact CD2-CG2 3.85Å; L22-P98 HydrophobicContact CD2-CB 4.18Å; L22-P98 HydrophobicContact CD2-CG 3.6Å; L22-L333 HydrophobicContact CD1-CD1 4.29Å; L22-L333 HydrophobicContact CD2-CD1 3.95Å; L22-L333 HydrophobicContact CG-CD1 4.43Å
23A97.3Very high94Very high0 Ų052.4 Ų52.40%029%0.285CS..Hα-helixtrans-61.9-42.7177.400000111.3T20 E21 I26 T27 L34 I64T20-A23 WeakPolarHBondContact O-CB 3.39Å; T20-A23 PolarHBondContact O-N 3.23Å; T20-A23 VanDerWaalsContact O-N 3.11Å; E21-A23 VanDerWaalsContact C-N 3.31Å; E21-A23 PolarHBondContact O-N 3.03Å; A23-I26 PolarHBondContact O-N 3.08Å; A23-T27 WeakPolarHBondContact O-CG2 3.35Å; A23-T27 PolarHBondContact O-N 3.12Å; A23-T27 PolarHBondContact O-OG1 3.09Å; A23-T27 VanDerWaalsContact O-OG1 3.09Å; A23-L34 HydrophobicContact CB-CD1 4.45Å; A23-L34 HydrophobicContact CB-CD2 4.13Å; A23-I64 HydrophobicContact CB-CB 3.95Å; A23-I64 HydrophobicContact CB-CD1 3.88Å; A23-I64 HydrophobicContact CB-CG2 3.81Å
24K96.6Very high94Very high83 Ų8354.8 Ų54.836%0.36130%0.298SS..Hα-helixtrans-60.5-49.6175.7-69.7175.1-176.2175.50111.9T20 E21 L22 I26 T27 E28 L34T20-K24 WeakPolarHBondContact O-CG 3.33Å; T20-K24 PolarHBondContact O-N 3.49Å; E21-K24 PolarHBondContact O-N 2.85Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.28Å; K24-I26 VanDerWaalsContact C-N 3.31Å; K24-I26 PolarHBondContact O-N 2.77Å; K24-T27 WeakPolarHBondContact CA-OG1 3.18Å; K24-T27 PolarHBondContact O-N 3.48Å; K24-T27 VanDerWaalsContact O-N 3.12Å; K24-T27 PolarHBondContact O-OG1 3.35Å; K24-E28 WeakPolarHBondContact O-CG 3.46Å; K24-E28 PolarHBondContact O-N 2.98Å; K24-L34 HydrophobicContact CG-CD1 3.96Å
25R97.3Very high93.9Very high81 Ų8154.8 Ų54.831%0.30630%0.3SS..Hα-helixtrans-59.3-40.9177.7-68.3-177.3-174.1-158.71.1112.6E21 L22 E28 R29E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 VanDerWaalsContact O-N 3.08Å; E21-R25 IonicContact OE1-CZ 2.85Å; E21-R25 IonicContact OE1-NE 3.82Å; E21-R25 PolarHBondContact OE1-NE 2.83Å; E21-R25 IonicContact OE1-NH2 3.79Å; E21-R25 PolarHBondContact OE1-NH2 3.1Å; E21-R25 VanDerWaalsContact OE1-NH2 3.08Å; L22-R25 PolarHBondContact O-N 3.37Å; R25-E28 PolarHBondContact O-N 2.96Å; R25-R29 WeakPolarHBondContact O-CG 3.49Å; R25-R29 PolarHBondContact O-N 3.26Å; R25-R29 VanDerWaalsContact O-N 3.1Å
26I97.5Very high94.2Very high0 Ų060 Ų600%031%0.311CS..Hα-helixtrans-62.1-47.6175.5-71.4165.7000110.2L22 A23 K24 E28 R29 L30 I64 L333 A334 I337L22-I26 HydrophobicContact CD1-CD1 4.16Å; L22-I26 HydrophobicContact CD1-CG1 4.37Å; L22-I26 HydrophobicContact CD2-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 3.86Å; L22-I26 HydrophobicContact CG-CG1 4.5Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.38Å; A23-I26 PolarHBondContact O-N 3.08Å; K24-I26 VanDerWaalsContact C-N 3.31Å; K24-I26 PolarHBondContact O-N 2.77Å; I26-E28 PolarHBondContact O-N 2.81Å; I26-R29 PolarHBondContact O-N 2.86Å; I26-L30 HydrophobicContact CG2-CD1 3.86Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 2.99Å; I26-I64 HydrophobicContact CB-CD1 4.01Å; I26-I64 HydrophobicContact CD1-CD1 3.91Å; I26-I64 HydrophobicContact CD1-CG2 4.43Å; I26-I64 HydrophobicContact CG2-CD1 3.84Å; I26-L333 HydrophobicContact CD1-CB 3.73Å; I26-L333 HydrophobicContact CD1-CD1 3.83Å; I26-L333 HydrophobicContact CD1-CG 4.42Å; I26-L333 HydrophobicContact CG1-CB 4.08Å; I26-A334 HydrophobicContact CG2-CB 4.28Å; I26-I337 HydrophobicContact CG2-CD1 3.55Å
27T96.4Very high94.4Very high8 Ų859.3 Ų59.35%0.04931%0.306CS..Hα-helixtrans-65.9-36.3179.750.60000113.3V10 A23 K24 R29 L30 G31 V32 L34V10-T27 HydrophobicContact CB-CG2 3.93Å; V10-T27 HydrophobicContact CG1-CG2 3.78Å; V10-T27 HydrophobicContact CG2-CG2 4.43Å; A23-T27 WeakPolarHBondContact O-CG2 3.35Å; A23-T27 PolarHBondContact O-N 3.12Å; A23-T27 PolarHBondContact O-OG1 3.09Å; A23-T27 VanDerWaalsContact O-OG1 3.09Å; K24-T27 WeakPolarHBondContact CA-OG1 3.18Å; K24-T27 PolarHBondContact O-N 3.48Å; K24-T27 VanDerWaalsContact O-N 3.12Å; K24-T27 PolarHBondContact O-OG1 3.35Å; T27-R29 PolarHBondContact O-N 3.08Å; T27-L30 CarbonylContact O-C 3.55Å; T27-L30 PolarHBondContact O-N 2.81Å; T27-G31 PolarHBondContact O-N 2.99Å; T27-V32 CarbonylContact C-O 3.56Å; T27-V32 WeakPolarHBondContact CB-O 3.32Å; T27-V32 HydrophobicContact CG2-CG2 3.93Å; T27-V32 PolarHBondContact O-N 3.37Å; T27-L34 HydrophobicContact CG2-CD2 3.54Å; T27-L34 HydrophobicContact CG2-CG 3.85Å
28E96.3Very high94.9Very high143 Ų14357 Ų5767%0.66829%0.291SS*.Hα-helixtrans-60.3-44.7173.1-74.9169.9-173.500111.5K24 R25 I26 L30 G31K24-E28 WeakPolarHBondContact O-CG 3.46Å; K24-E28 PolarHBondContact O-N 2.98Å; R25-E28 PolarHBondContact O-N 2.96Å; I26-E28 PolarHBondContact O-N 2.81Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 2.91Å; E28-G31 PolarHBondContact O-N 3.2Å
29R95.6Very high95.3Very high123 Ų12354.9 Ų54.946%0.46427%0.272SS..Hα-helixtrans-66.4-32.2176.7-70.1-177.4-175.1-73.92.9113.2R25 I26 T27 G31 D328 S330 A334R25-R29 WeakPolarHBondContact O-CG 3.49Å; R25-R29 PolarHBondContact O-N 3.26Å; R25-R29 VanDerWaalsContact O-N 3.1Å; I26-R29 PolarHBondContact O-N 2.86Å; T27-R29 PolarHBondContact O-N 3.08Å; R29-G31 VanDerWaalsContact C-N 3.31Å; R29-D328 IonicContact CZ-OD2 3.52Å; R29-D328 IonicContact NE-OD2 3.83Å; R29-D328 IonicContact NH2-OD2 2.73Å; R29-D328 PolarHBondContact NH2-OD2 3.26Å; R29-S330 PolarHBondContact NE-OG 2.84Å; R29-A334 HydrophobicContact CB-CB 3.85Å
30L94.6Very high95.5Very high29 Ų2958.8 Ų58.815%0.15229%0.287CS..Hα-helixtrans-79.7-13.4175.9-71.3173.8000113Y8 V10 I26 T27 E28 V32 A334 I337 R338Y8-L30 HydrophobicContact CE2-CD1 4.23Å; V10-L30 HydrophobicContact CG2-CD1 4.38Å; I26-L30 HydrophobicContact CG2-CD1 3.86Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 2.99Å; T27-L30 CarbonylContact O-C 3.55Å; T27-L30 PolarHBondContact O-N 2.81Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 2.91Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 HydrophobicContact CB-CG1 4.35Å; L30-V32 HydrophobicContact CB-CG2 3.85Å; L30-V32 HydrophobicContact CD1-CG2 4.42Å; L30-A334 HydrophobicContact CD2-CB 4.12Å; L30-A334 WeakPolarHBondContact CD2-O 3.48Å; L30-A334 HydrophobicContact CG-CB 4Å; L30-I337 HydrophobicContact CD1-CB 4.25Å; L30-I337 HydrophobicContact CD1-CD1 4.18Å; L30-I337 HydrophobicContact CD1-CG2 3.76Å; L30-I337 HydrophobicContact CD2-CG2 4.48Å; L30-R338 HydrophobicContact CD2-CB 4.14Å
31G94.6Very high95.4Very high56 Ų5661.4 Ų61.458%0.57730%0.298SS*.THydrogen-bonded Turntrans66.330.6-173.800000113.2T27 E28 R29T27-G31 PolarHBondContact O-N 2.99Å; E28-G31 PolarHBondContact O-N 3.2Å; R29-G31 VanDerWaalsContact C-N 3.31Å
32V94.4Very high95.2Very high21 Ų2160 Ų6013%0.12729%0.291CS..  trans-121.4162.1179.5-55.90000110.9S6 Y8 V10 T27 L30S6-V32 VanDerWaalsContact OG-CG1 3.29Å; S6-V32 WeakPolarHBondContact OG-CG1 3.44Å; Y8-V32 HydrophobicContact CE2-CG1 4.42Å; V10-V32 HydrophobicContact CG2-CG2 4.11Å; T27-V32 CarbonylContact C-O 3.56Å; T27-V32 WeakPolarHBondContact CB-O 3.32Å; T27-V32 HydrophobicContact CG2-CG2 3.93Å; T27-V32 PolarHBondContact O-N 3.37Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 HydrophobicContact CB-CG1 4.35Å; L30-V32 HydrophobicContact CB-CG2 3.85Å; L30-V32 HydrophobicContact CD1-CG2 4.42Å
33E94.6Very high94.8Very high158 Ų15865.7 Ų65.774%0.73833%0.331SS*.PPolyproline II helixtrans-96.1150.8171.6-66.7-179.2172.400110.6G35E33-G35 PolarHBondContact O-N 3.26Å
34L95.9Very high94.4Very high51 Ų5173.5 Ų73.527%0.26737%0.373SS..BIsolated β-bridgetrans-63.1135.4168.2-74.2170.4000109.9V10 A23 K24 T27V10-L34 HydrophobicContact CG1-CD2 4.16Å; V10-L34 CarbonylContact O-C 3.58Å; V10-L34 WeakPolarHBondContact O-CA 3.46Å; A23-L34 HydrophobicContact CB-CD1 4.45Å; A23-L34 HydrophobicContact CB-CD2 4.13Å; K24-L34 HydrophobicContact CG-CD1 3.96Å; T27-L34 HydrophobicContact CG2-CD2 3.54Å; T27-L34 HydrophobicContact CG2-CG 3.85Å
35G94.6Very high94.1Very high9 Ų973.1 Ų73.19%0.09338%0.378CS..PPolyproline II helixtrans-60.2146.9173.900000111.2V10 E33 S37 E54V10-G35 PolarHBondContact O-N 3.47Å; E33-G35 PolarHBondContact O-N 3.26Å; G35-S37 PolarHBondContact O-N 3.45Å; G35-E54 WeakPolarHBondContact CA-OE1 3.48Å
36R95.5Very high93.8Very high167 Ų16772.2 Ų72.263%0.6339%0.388SS*.  trans-77106.9-178.1-64.3-179.6-66173.82109.2K53 E54R36-K53 HydrophobicContact CB-CB 3.97Å; R36-K53 WeakPolarHBondContact O-CA 3.46Å; R36-K53 WeakPolarHBondContact O-CB 3.46Å; R36-K53 PolarHBondContact O-N 2.98Å; R36-E54 PolarHBondContact N-OE1 3.44Å
37S95.3Very high93.7Very high34 Ų3477.9 Ų77.924%0.23841%0.414CS..EExtended strand (participates in β ladder)trans-140.2154.2171.654.90000111G35 E51G35-S37 PolarHBondContact O-N 3.45Å; S37-E51 CarbonylContact C-O 3.51Å; S37-E51 VanDerWaalsContact CA-O 3.23Å; S37-E51 WeakPolarHBondContact CA-O 3.23Å
38V94.8Very high93.7Very high65 Ų6578.9 Ų78.939%0.39442%0.42SS..EExtended strand (participates in β ladder)trans-114.5126.6171.9-170.60000107.6Y40 V50 E51 K53V38-Y40 HydrophobicContact CG1-CD1 3.8Å; V38-Y40 HydrophobicContact CG1-CE1 4.18Å; V38-V50 CarbonylContact O-C 3.56Å; V38-V50 WeakPolarHBondContact O-CA 3.34Å; V38-E51 HydrophobicContact CB-CB 4.47Å; V38-E51 PolarHBondContact N-O 2.69Å; V38-E51 PolarHBondContact O-N 3.44Å; V38-K53 HydrophobicContact CG2-CG 4.27Å
39V95.7Very high93.7Very high18 Ų1877.4 Ų77.411%0.10941%0.409CS..EExtended strand (participates in β ladder)trans-127124.8174.8-172.60000108.4A13 S15 R49 V50 E77 M81A13-V39 WeakPolarHBondContact O-CG1 3.36Å; S15-V39 WeakPolarHBondContact CB-O 3.49Å; V39-R49 WeakPolarHBondContact CA-O 3.35Å; V39-V50 HydrophobicContact CG1-CG2 4.09Å; V39-V50 HydrophobicContact CG2-CG1 4.24Å; V39-V50 HydrophobicContact CG2-CG2 4.22Å; V39-E77 HydrophobicContact CG1-CB 4.19Å; V39-E77 HydrophobicContact CG1-CG 3.71Å; V39-M81 HydrophobicContact CG2-CE 3.44Å; V39-M81 VanDerWaalsContact CG2-CE 3.44Å
40Y93Very high93.8Very high88 Ų8872.5 Ų72.535%0.34539%0.393SS..EExtended strand (participates in β ladder)trans-155.9160.9-179.665.4-78.6000111.3V38 E42 R49V38-Y40 HydrophobicContact CG1-CD1 3.8Å; V38-Y40 HydrophobicContact CG1-CE1 4.18Å; Y40-E42 HydrophobicContact CE2-CG 4.4Å; Y40-R49 HydrophobicContact CD1-CB 4.21Å; Y40-R49 HydrophobicContact CE1-CB 3.75Å; Y40-R49 HydrophobicContact CE2-CB 4.18Å; Y40-R49 PolarHBondContact N-O 3.18Å; Y40-R49 VanDerWaalsContact N-O 3.09Å; Y40-R49 PolarHBondContact O-N 2.78Å; Y40-R49 WeakPolarHBondContact OH-CD 3.33Å
41Q92Very high93.9Very high75 Ų7574.7 Ų74.735%0.3540%0.402SS..EExtended strand (participates in β ladder)trans-96.2134.8165.5-68-179.7-64.900109.5S43 A46 E47 T73Q41-S43 PolarHBondContact O-N 3.32Å; Q41-A46 PolarHBondContact NE2-O 2.89Å; Q41-E47 CarbonylContact C-O 3.58Å; Q41-E47 WeakPolarHBondContact CA-O 3.35Å; Q41-T73 VanDerWaalsContact CD-CG2 3.46Å; Q41-T73 HydrophobicContact CG-CG2 3.96Å; Q41-T73 PolarHBondContact NE2-OG1 2.88Å
42E91.2Very high94Very high45 Ų4573.7 Ų73.721%0.2139%0.385CS..  trans-61.4128.8171.8-76.9-166.6172.600110.7Y40 N44 T45 A46 E47 R49Y40-E42 HydrophobicContact CE2-CG 4.4Å; E42-N44 PolarHBondContact O-N 2.78Å; E42-N44 VanDerWaalsContact O-N 3.15Å; E42-T45 WeakPolarHBondContact CB-OG1 3.43Å; E42-T45 PolarHBondContact O-N 2.73Å; E42-T45 PolarHBondContact OE2-OG1 3.43Å; E42-A46 VanDerWaalsContact O-CA 3.31Å; E42-A46 WeakPolarHBondContact O-CA 3.3Å; E42-A46 PolarHBondContact O-N 2.83Å; E42-E47 PolarHBondContact N-O 2.78Å; E42-R49 HydrophobicContact CG-CG 4.33Å; E42-R49 IonicContact OE1-CZ 3.82Å; E42-R49 IonicContact OE1-NE 2.8Å; E42-R49 PolarHBondContact OE1-NE 3.4Å; E42-R49 IonicContact OE1-NH2 3.07Å; E42-R49 PolarHBondContact OE1-NH2 2.87Å
43S88.3Confident94.1Very high126 Ų12678 Ų7888%0.88140%0.401SS*.THydrogen-bonded Turntrans-62.1-27.6-174.6-49.70000114.1Q41Q41-S43 PolarHBondContact O-N 3.32Å
44N89.1Confident94.2Very high163 Ų16371.9 Ų71.987%0.87237%0.373SS*.THydrogen-bonded Turntrans-93.6-29.9-175.2-65.1-22.3000113.6E42E42-N44 PolarHBondContact O-N 2.78Å; E42-N44 VanDerWaalsContact O-N 3.15Å
45T90.6Very high94.1Very high75 Ų7573.8 Ų73.846%0.4639%0.391SS..THydrogen-bonded Turntrans-116.6-13.8-170.362.20000112.9E42 E47E42-T45 WeakPolarHBondContact CB-OG1 3.43Å; E42-T45 PolarHBondContact O-N 2.73Å; E42-T45 PolarHBondContact OE2-OG1 3.43Å; T45-E47 PolarHBondContact O-N 2.97Å; T45-E47 VanDerWaalsContact O-N 3.16Å; T45-E47 PolarHBondContact OG1-N 2.98Å
46A90.4Very high94.2Very high63 Ų6373.4 Ų73.452%0.52139%0.386SS..  trans58.811.2-169.100000114.6Q41 E42Q41-A46 PolarHBondContact NE2-O 2.89Å; E42-A46 VanDerWaalsContact O-CA 3.31Å; E42-A46 WeakPolarHBondContact O-CA 3.3Å; E42-A46 PolarHBondContact O-N 2.83Å
47E95.8Very high94.2Very high119 Ų11973.6 Ų73.656%0.55639%0.387SS*.  trans-67.6138.6175.5-70-173.2178.900110.9Q41 E42 T45Q41-E47 CarbonylContact C-O 3.58Å; Q41-E47 WeakPolarHBondContact CA-O 3.35Å; E42-E47 PolarHBondContact N-O 2.78Å; T45-E47 PolarHBondContact O-N 2.97Å; T45-E47 VanDerWaalsContact O-N 3.16Å; T45-E47 PolarHBondContact OG1-N 2.98Å
48T96.5Very high94.2Very high28 Ų2874.3 Ų74.317%0.17240%0.399CS..EExtended strand (participates in β ladder)trans-80.6129.7178.7-57.40000110.8E77T48-E77 HydrophobicContact CG2-CB 4.22Å; T48-E77 HydrophobicContact CG2-CG 3.56Å
49R96.5Very high94.2Very high112 Ų11273.6 Ų73.642%0.42339%0.392SS..EExtended strand (participates in β ladder)trans-119.2138.1171.3-71.8-161.7-179.9-122.52.9111.6V39 Y40 E42V39-R49 WeakPolarHBondContact CA-O 3.35Å; Y40-R49 HydrophobicContact CD1-CB 4.21Å; Y40-R49 HydrophobicContact CE1-CB 3.75Å; Y40-R49 HydrophobicContact CE2-CB 4.18Å; Y40-R49 PolarHBondContact N-O 3.18Å; Y40-R49 VanDerWaalsContact N-O 3.09Å; Y40-R49 PolarHBondContact O-N 2.78Å; Y40-R49 WeakPolarHBondContact OH-CD 3.33Å; E42-R49 HydrophobicContact CG-CG 4.33Å; E42-R49 IonicContact OE1-CZ 3.82Å; E42-R49 IonicContact OE1-NE 2.8Å; E42-R49 PolarHBondContact OE1-NE 3.4Å; E42-R49 IonicContact OE1-NH2 3.07Å; E42-R49 PolarHBondContact OE1-NH2 2.87Å
50V97.4Very high94.2Very high21 Ų2174 Ų7413%0.12739%0.393CS..EExtended strand (participates in β ladder)trans-128.2128.6173.9-178.70000109V38 V39 V80 M81V38-V50 CarbonylContact O-C 3.56Å; V38-V50 WeakPolarHBondContact O-CA 3.34Å; V39-V50 HydrophobicContact CG1-CG2 4.09Å; V39-V50 HydrophobicContact CG2-CG1 4.24Å; V39-V50 HydrophobicContact CG2-CG2 4.22Å; V50-V80 HydrophobicContact CB-CG1 3.94Å; V50-V80 HydrophobicContact CG2-CB 4.04Å; V50-V80 HydrophobicContact CG2-CG1 3.77Å; V50-M81 HydrophobicContact CG1-CB 3.92Å; V50-M81 HydrophobicContact CG1-CE 3.65Å; V50-M81 HydrophobicContact CG1-CG 4.1Å; V50-M81 HydrophobicContact CG2-CB 4.25Å
51E96.4Very high94.4Very high75 Ų7569.8 Ų69.835%0.3538%0.377SS..EExtended strand (participates in β ladder)trans-126.4113.2174.3-63.4-173.1167.600110.1S37 V38 K53S37-E51 CarbonylContact C-O 3.51Å; S37-E51 VanDerWaalsContact CA-O 3.23Å; S37-E51 WeakPolarHBondContact CA-O 3.23Å; V38-E51 HydrophobicContact CB-CB 4.47Å; V38-E51 PolarHBondContact N-O 2.69Å; V38-E51 PolarHBondContact O-N 3.44Å; E51-K53 VanDerWaalsContact OE2-CE 3.25Å; E51-K53 WeakPolarHBondContact OE2-CE 3.44Å; E51-K53 IonicContact OE2-NZ 2.58Å; E51-K53 PolarHBondContact OE2-NZ 3Å
52V96.8Very high94.8Very high35 Ų3566.2 Ų66.221%0.21236%0.36CS..EExtended strand (participates in β ladder)trans-82121.3173.2-175.10000108.4F11 E54 V56 A84 L85F11-V52 HydrophobicContact CE1-CG1 3.94Å; F11-V52 HydrophobicContact CZ-CG1 3.98Å; V52-E54 WeakPolarHBondContact CG1-O 3.44Å; V52-V56 HydrophobicContact CG1-CG1 4.11Å; V52-A84 HydrophobicContact CG2-CB 4.47Å; V52-L85 HydrophobicContact CG1-CD2 4.29Å; V52-L85 HydrophobicContact CG2-CD2 4.06Å; V52-L85 HydrophobicContact CG2-CG 4.37Å
53K96.7Very high95.1Very high110 Ų11064.1 Ų64.148%0.47835%0.35SS..  trans-100.614.8-172.1-58.6-65.8-176.2178.90113.4R36 V38 E51R36-K53 HydrophobicContact CB-CB 3.97Å; R36-K53 WeakPolarHBondContact O-CA 3.46Å; R36-K53 WeakPolarHBondContact O-CB 3.46Å; R36-K53 PolarHBondContact O-N 2.98Å; V38-K53 HydrophobicContact CG2-CG 4.27Å; E51-K53 VanDerWaalsContact OE2-CE 3.25Å; E51-K53 WeakPolarHBondContact OE2-CE 3.44Å; E51-K53 IonicContact OE2-NZ 2.58Å; E51-K53 PolarHBondContact OE2-NZ 3Å
54E94.9Very high95.6Very high31 Ų3158.1 Ų58.115%0.14531%0.308CS..SBendtrans-144.8161.2174.668.3-177.699.900112.4R9 F11 G35 R36 V52R9-E54 IonicContact CZ-OE2 3.17Å; R9-E54 IonicContact NE-OE2 3.21Å; R9-E54 PolarHBondContact NE-OE2 2.96Å; R9-E54 IonicContact NH2-OE2 2.92Å; R9-E54 PolarHBondContact NH2-OE2 3.48Å; F11-E54 HydrophobicContact CE1-CG 4.27Å; F11-E54 HydrophobicContact CZ-CG 3.94Å; G35-E54 WeakPolarHBondContact CA-OE1 3.48Å; R36-E54 PolarHBondContact N-OE1 3.44Å; V52-E54 WeakPolarHBondContact CG1-O 3.44Å
55S94.9Very high96Very high91 Ų9150.3 Ų50.364%0.63627%0.267SS*.  trans-73.6130.5178.1-176.50000110.6Q59S55-Q59 PolarHBondContact O-OE1 3.08Å
56V96.1Very high96.3Very high1 Ų146.8 Ų46.81%0.00625%0.245CC..  trans-117.68177.5-64.90000112.9F11 V52 G58 Q59 I61 L85 S88 A90F11-V56 HydrophobicContact CE2-CG1 3.8Å; F11-V56 HydrophobicContact CZ-CG1 3.7Å; V52-V56 HydrophobicContact CG1-CG1 4.11Å; V56-G58 PolarHBondContact O-N 3.25Å; V56-Q59 PolarHBondContact O-N 3.33Å; V56-I61 HydrophobicContact CB-CD1 3.76Å; V56-I61 HydrophobicContact CB-CG1 4.31Å; V56-I61 HydrophobicContact CG1-CD1 3.86Å; V56-L85 HydrophobicContact CB-CD2 4.05Å; V56-L85 HydrophobicContact CG1-CD2 3.7Å; V56-L85 HydrophobicContact CG2-CD2 3.75Å; V56-S88 VanDerWaalsContact CG2-CB 3.43Å; V56-A90 WeakPolarHBondContact O-CA 3.23Å
57R95.7Very high96.5Very high171 Ų17144.2 Ų44.265%0.64522%0.222SC*.THydrogen-bonded Turntrans-61124.3-173.5178.9-179.7-65.7-82.4-3.5110.9Q59 C89R57-Q59 PolarHBondContact O-N 3.45Å; R57-C89 HydrophobicContact CG-CB 4.22Å; R57-C89 PolarHBondContact NH1-SG 2.7Å; R57-C89 VanDerWaalsContact NH1-SG 3.45Å
58G94.9Very high96.3Very high48 Ų4840.5 Ų40.550%0.49521%0.209SC..THydrogen-bonded Turntrans71.84.8176.600000114.9V56 C89 K91V56-G58 PolarHBondContact O-N 3.25Å; G58-C89 PolarHBondContact N-O 2.68Å; G58-K91 WeakPolarHBondContact O-CB 3.33Å
59Q95Very high95.9Very high50 Ų5050 Ų5023%0.23424%0.241CC..  trans-94.1155.6-178.9-66.4-174.7-27.200111.8R9 S55 V56 R57 I61 K91R9-Q59 VanDerWaalsContact CG-OE1 3.23Å; S55-Q59 PolarHBondContact O-OE1 3.08Å; V56-Q59 PolarHBondContact O-N 3.33Å; R57-Q59 PolarHBondContact O-N 3.45Å; Q59-I61 HydrophobicContact CB-CD1 3.82Å; Q59-K91 WeakPolarHBondContact O-CB 3.21Å; Q59-K91 PolarHBondContact O-N 3.44Å
60D96.1Very high95.7Very high26 Ų2648.3 Ų48.314%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-84.5124.4169.6-64.5-37.1000109.1Y8 R9 N92Y8-D60 CarbonylContact C-O 3.51Å; Y8-D60 WeakPolarHBondContact CA-O 3.29Å; Y8-D60 WeakPolarHBondContact CB-O 3.34Å; R9-D60 PolarHBondContact N-O 3.45Å; D60-N92 WeakPolarHBondContact OD1-CB 3.28Å; D60-N92 PolarHBondContact OD1-ND2 2.81Å
61I98.1Very high95.6Very high0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans-118.1131-171.3-47.2-61000110.1R9 F11 V56 Q59 L85 A90 N92 I94R9-I61 HydrophobicContact CB-CD1 3.79Å; R9-I61 HydrophobicContact CG-CD1 4.22Å; R9-I61 CarbonylContact O-C 3.59Å; R9-I61 WeakPolarHBondContact O-CA 3.34Å; F11-I61 HydrophobicContact CD2-CG2 3.5Å; F11-I61 VanDerWaalsContact CD2-CG2 3.5Å; F11-I61 HydrophobicContact CE2-CD1 4.34Å; F11-I61 HydrophobicContact CE2-CG2 3.76Å; V56-I61 HydrophobicContact CB-CD1 3.76Å; V56-I61 HydrophobicContact CB-CG1 4.31Å; V56-I61 HydrophobicContact CG1-CD1 3.86Å; Q59-I61 HydrophobicContact CB-CD1 3.82Å; I61-L85 HydrophobicContact CG2-CD1 3.76Å; I61-L85 HydrophobicContact CG2-CD2 4.13Å; I61-A90 HydrophobicContact CG1-CB 3.69Å; I61-N92 PolarHBondContact N-O 2.95Å; I61-I94 WeakPolarHBondContact O-CD1 3.46Å; I61-I94 PolarHBondContact O-N 3.47Å
62F98.6Very high95.6Very high1 Ų149.9 Ų49.90%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-108122.1171.3-63.3-93.5000109.2Y8 R9 V10 F11 I94 V96 I132 I337 I340 H341Y8-F62 AromaticContact CD2-CD2 3.75Å; Y8-F62 HydrophobicContact CD2-CD2 3.75Å; Y8-F62 AromaticContact CD2-CE2 3.84Å; Y8-F62 HydrophobicContact CD2-CE2 3.84Å; Y8-F62 HydrophobicContact CG-CD2 4.33Å; Y8-F62 HydrophobicContact CG-CE2 4.05Å; R9-F62 PolarHBondContact O-N 3.02Å; V10-F62 CarbonylContact C-O 3.5Å; V10-F62 WeakPolarHBondContact CA-O 3.17Å; V10-F62 HydrophobicContact CG1-CB 4.47Å; V10-F62 HydrophobicContact CG2-CB 4.34Å; F11-F62 PolarHBondContact N-O 3.09Å; F62-I94 CarbonylContact C-O 3.47Å; F62-I94 WeakPolarHBondContact CA-O 3.34Å; F62-I94 HydrophobicContact CD1-CB 3.59Å; F62-I94 HydrophobicContact CD1-CD1 4.32Å; F62-I94 HydrophobicContact CD1-CG1 4.21Å; F62-I94 HydrophobicContact CD1-CG2 3.67Å; F62-I94 HydrophobicContact CE1-CB 3.81Å; F62-I94 HydrophobicContact CE1-CD1 4.04Å; F62-I94 HydrophobicContact CE1-CG1 3.94Å; F62-I94 HydrophobicContact CE1-CG2 3.79Å; F62-I94 HydrophobicContact CE2-CD1 4.39Å; F62-I94 HydrophobicContact CG-CB 4.32Å; F62-I94 HydrophobicContact CZ-CD1 4.08Å; F62-I94 HydrophobicContact CZ-CG1 4.43Å; F62-V96 HydrophobicContact CB-CG2 4.29Å; F62-V96 HydrophobicContact CD1-CG2 4.11Å; F62-I132 HydrophobicContact CE1-CD1 4.38Å; F62-I337 HydrophobicContact CD1-CB 4.26Å; F62-I337 HydrophobicContact CD1-CG1 3.81Å; F62-I337 HydrophobicContact CD1-CG2 3.87Å; F62-I337 HydrophobicContact CD2-CG2 3.94Å; F62-I337 HydrophobicContact CE1-CB 4.16Å; F62-I337 HydrophobicContact CE1-CG1 4.11Å; F62-I337 HydrophobicContact CE1-CG2 3.83Å; F62-I337 HydrophobicContact CE2-CG2 3.89Å; F62-I337 HydrophobicContact CG-CG1 4.39Å; F62-I337 HydrophobicContact CG-CG2 3.93Å; F62-I337 HydrophobicContact CZ-CG2 3.83Å; F62-I340 HydrophobicContact CE1-CB 4.46Å; F62-I340 HydrophobicContact CE1-CG2 4.2Å; F62-I340 HydrophobicContact CZ-CG2 4.21Å; F62-H341 HydrophobicContact CE2-CB 4.36Å; F62-H341 HydrophobicContact CZ-CB 4.23Å
63I98.6Very high95.6Very high0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-103.6114.6174.2-53.1170.5000107.9A13 L78 M81 A82 L85 I93 I94 V96A13-I63 HydrophobicContact CB-CG2 3.69Å; I63-L78 HydrophobicContact CB-CD1 4.25Å; I63-L78 HydrophobicContact CD1-CD1 4.39Å; I63-L78 HydrophobicContact CG2-CD1 3.66Å; I63-M81 HydrophobicContact CD1-CG 4.17Å; I63-M81 HydrophobicContact CG1-SD 4.42Å; I63-M81 HydrophobicContact CG2-CG 4.43Å; I63-M81 HydrophobicContact CG2-SD 3.71Å; I63-A82 HydrophobicContact CD1-CB 4.01Å; I63-L85 HydrophobicContact CD1-CD1 3.48Å; I63-L85 VanDerWaalsContact CD1-CD1 3.48Å; I63-L85 HydrophobicContact CG1-CD1 3.63Å; I63-I93 HydrophobicContact CD1-CG2 3.58Å; I63-I93 HydrophobicContact CG1-CG2 4.24Å; I63-I94 PolarHBondContact N-O 3.3Å; I63-V96 PolarHBondContact O-N 2.97Å
64I98.6Very high95.6Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-89.5122.3174.1-55.7175000108.5V10 F11 S12 A13 A23 I26 V96V10-I64 HydrophobicContact CG1-CD1 3.42Å; V10-I64 VanDerWaalsContact CG1-CD1 3.42Å; V10-I64 HydrophobicContact CG1-CG1 3.88Å; F11-I64 PolarHBondContact O-N 3.02Å; S12-I64 WeakPolarHBondContact CA-O 3.5Å; A13-I64 PolarHBondContact N-O 2.73Å; A13-I64 VanDerWaalsContact N-O 3.07Å; A23-I64 HydrophobicContact CB-CB 3.95Å; A23-I64 HydrophobicContact CB-CD1 3.88Å; A23-I64 HydrophobicContact CB-CG2 3.81Å; I26-I64 HydrophobicContact CB-CD1 4.01Å; I26-I64 HydrophobicContact CD1-CD1 3.91Å; I26-I64 HydrophobicContact CD1-CG2 4.43Å; I26-I64 HydrophobicContact CG2-CD1 3.84Å; I64-V96 WeakPolarHBondContact CA-O 3.38Å; I64-V96 HydrophobicContact CG1-CB 4.05Å; I64-V96 HydrophobicContact CG1-CG1 4.41Å; I64-V96 HydrophobicContact CG1-CG2 4.41Å
65Q98.2Very high95.7Very high0 Ų043.1 Ų43.10%022%0.223CC..  trans-130.4113.2174.8-171.769.2-29.900111.2A13 N14 I67 A74 E77 L78 V96 P98A13-Q65 HydrophobicContact CB-CB 4.47Å; A13-Q65 VanDerWaalsContact CB-OE1 3.26Å; N14-Q65 PolarHBondContact ND2-OE1 2.92Å; N14-Q65 PolarHBondContact OD1-OE1 3.21Å; Q65-I67 HydrophobicContact CG-CD1 4.16Å; Q65-A74 PolarHBondContact NE2-O 3.39Å; Q65-E77 PolarHBondContact NE2-OE2 2.8Å; Q65-L78 HydrophobicContact CB-CD1 4.21Å; Q65-L78 HydrophobicContact CB-CD2 4.25Å; Q65-L78 HydrophobicContact CG-CB 4.09Å; Q65-L78 HydrophobicContact CG-CD2 4.32Å; Q65-V96 PolarHBondContact N-O 3.44Å; Q65-P98 VanDerWaalsContact O-CD 3.3Å; Q65-P98 WeakPolarHBondContact O-CD 3.39Å
66T97.2Very high95.9Very high1 Ų143 Ų431%0.00621%0.213CC..  trans-90.3156.6163.765.80000110N14 C19 L22 P68N14-T66 PolarHBondContact ND2-O 3.43Å; N14-T66 PolarHBondContact OD1-N 3.5Å; N14-T66 PolarHBondContact OD1-OG1 3.17Å; N14-T66 VanDerWaalsContact OD1-OG1 3.11Å; C19-T66 WeakPolarHBondContact CB-OG1 3.27Å; C19-T66 PolarHBondContact O-OG1 3.2Å; L22-T66 HydrophobicContact CB-CG2 4.03Å; L22-T66 HydrophobicContact CD2-CG2 3.85Å; T66-P68 WeakPolarHBondContact O-CD 3.27Å
67I94.6Very high96Very high8 Ų843 Ų434%0.04121%0.213CC..  trans-109.4107.8-174.6-53.7-59.6000109.7Q65 V71 A74 Y99 P101Q65-I67 HydrophobicContact CG-CD1 4.16Å; I67-V71 HydrophobicContact CG2-CB 4.06Å; I67-V71 HydrophobicContact CG2-CG2 3.76Å; I67-A74 HydrophobicContact CD1-CB 4.1Å; I67-Y99 HydrophobicContact CB-CD1 3.98Å; I67-Y99 HydrophobicContact CB-CE1 4.47Å; I67-Y99 HydrophobicContact CG1-CD1 4.07Å; I67-Y99 WeakPolarHBondContact CG1-O 3.25Å; I67-Y99 HydrophobicContact CG2-CD1 4.48Å; I67-Y99 HydrophobicContact CG2-CE1 4.49Å; I67-P101 HydrophobicContact CD1-CB 4.28Å; I67-P101 HydrophobicContact CD1-CG 3.81Å; I67-P101 HydrophobicContact CG1-CB 4.16Å; I67-P101 HydrophobicContact CG1-CG 4.09Å; I67-P101 HydrophobicContact CG2-CB 4.31Å
68P90.1Very high96.1Very high42 Ų4235.2 Ų35.227%0.27318%0.184SC..  trans-74.2-176.9169.330.9-33.9000111.9T66 D70 A74T66-P68 WeakPolarHBondContact O-CD 3.27Å; P68-D70 PolarHBondContact O-N 2.91Å; P68-A74 HydrophobicContact CG-CB 4.19Å
69R87.7Confident96.3Very high226 Ų22633.7 Ų33.785%0.85316%0.164SC*.SBendtrans-53.1-39.9175.3-170.6175.8-175.7178.92.7113.1V71R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.29Å
70D92.6Very high96.5Very high77 Ų7733.6 Ų33.641%0.41217%0.167SC..  trans-82.181.3172.7-170.9-6.4000110.9P68 N72 T73 A74P68-D70 PolarHBondContact O-N 2.91Å; D70-N72 VanDerWaalsContact C-N 3.28Å; D70-N72 PolarHBondContact O-N 3.04Å; D70-N72 PolarHBondContact OD1-N 2.79Å; D70-T73 VanDerWaalsContact CG-CB 3.47Å; D70-T73 PolarHBondContact OD1-N 3.03Å; D70-T73 VanDerWaalsContact OD1-N 3.14Å; D70-T73 PolarHBondContact OD1-OG1 2.8Å; D70-T73 VanDerWaalsContact OD2-CB 3.24Å; D70-T73 WeakPolarHBondContact OD2-CB 3.34Å; D70-T73 PolarHBondContact OD2-OG1 2.73Å; D70-A74 PolarHBondContact O-N 2.74Å
71V95.6Very high96.6Very high38 Ų3832.4 Ų32.423%0.2316%0.161CC..Hα-helixtrans-62.2-33.9-17964.70000112.9I67 R69 A74 V75 P101 Y102I67-V71 HydrophobicContact CG2-CB 4.06Å; I67-V71 HydrophobicContact CG2-CG2 3.76Å; R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.29Å; V71-A74 PolarHBondContact O-N 3.41Å; V71-V75 HydrophobicContact CG2-CG2 4.5Å; V71-V75 VanDerWaalsContact O-CG2 3.3Å; V71-V75 WeakPolarHBondContact O-CG2 3.37Å; V71-V75 PolarHBondContact O-N 2.79Å; V71-P101 HydrophobicContact CG2-CB 3.5Å; V71-Y102 HydrophobicContact CG1-CE2 4.34Å; V71-Y102 HydrophobicContact CG2-CD2 4.31Å; V71-Y102 HydrophobicContact CG2-CE2 3.89Å
72N96.9Very high96.6Very high92 Ų9232.4 Ų32.449%0.49216%0.161SC..Hα-helixtrans-73.4-44.9-174.2-75.1-29.6000111.3D70 A74 V75 M76 Y102D70-N72 VanDerWaalsContact C-N 3.28Å; D70-N72 PolarHBondContact O-N 3.04Å; D70-N72 PolarHBondContact OD1-N 2.79Å; N72-A74 VanDerWaalsContact C-N 3.32Å; N72-A74 PolarHBondContact O-N 3.11Å; N72-V75 PolarHBondContact O-N 2.94Å; N72-M76 WeakPolarHBondContact O-CG 3.41Å; N72-M76 PolarHBondContact O-N 3.37Å; N72-Y102 PolarHBondContact OD1-OH 3.43Å
73T96.4Very high96.6Very high20 Ų2038.9 Ų38.912%0.12319%0.186CC..Hα-helixtrans-59.3-46.2173.1-64.20000110.4Q41 D70 V75 M76 E77Q41-T73 VanDerWaalsContact CD-CG2 3.46Å; Q41-T73 HydrophobicContact CG-CG2 3.96Å; Q41-T73 PolarHBondContact NE2-OG1 2.88Å; D70-T73 VanDerWaalsContact CG-CB 3.47Å; D70-T73 PolarHBondContact OD1-N 3.03Å; D70-T73 VanDerWaalsContact OD1-N 3.14Å; D70-T73 PolarHBondContact OD1-OG1 2.8Å; D70-T73 VanDerWaalsContact OD2-CB 3.24Å; D70-T73 WeakPolarHBondContact OD2-CB 3.34Å; D70-T73 PolarHBondContact OD2-OG1 2.73Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.47Å; T73-M76 CarbonylContact O-C 3.54Å; T73-M76 PolarHBondContact O-N 2.78Å; T73-E77 HydrophobicContact CG2-CG 4.24Å; T73-E77 WeakPolarHBondContact O-CG 3.41Å; T73-E77 PolarHBondContact O-N 2.88Å
74A96.9Very high96.6Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-62-36.5178.300000113.3Q65 I67 P68 D70 V71 N72 L78Q65-A74 PolarHBondContact NE2-O 3.39Å; I67-A74 HydrophobicContact CD1-CB 4.1Å; P68-A74 HydrophobicContact CG-CB 4.19Å; D70-A74 PolarHBondContact O-N 2.74Å; V71-A74 PolarHBondContact O-N 3.41Å; N72-A74 VanDerWaalsContact C-N 3.32Å; N72-A74 PolarHBondContact O-N 3.11Å; A74-L78 PolarHBondContact O-N 3.07Å
75V98.1Very high96.6Very high14 Ų1440.1 Ų40.19%0.08520%0.196CC..Hα-helixtrans-65.1-43.2172.6166.40000110.8V71 N72 T73 L78 L79 P101 Y102 L119V71-V75 HydrophobicContact CG2-CG2 4.5Å; V71-V75 VanDerWaalsContact O-CG2 3.3Å; V71-V75 WeakPolarHBondContact O-CG2 3.37Å; V71-V75 PolarHBondContact O-N 2.79Å; N72-V75 PolarHBondContact O-N 2.94Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 3.11Å; V75-L79 HydrophobicContact CG1-CD1 3.73Å; V75-L79 HydrophobicContact CG1-CG 4.32Å; V75-L79 VanDerWaalsContact O-CG 3.24Å; V75-L79 WeakPolarHBondContact O-CG 3.34Å; V75-L79 PolarHBondContact O-N 3.22Å; V75-P101 HydrophobicContact CG2-CB 4.45Å; V75-P101 HydrophobicContact CG2-CG 3.86Å; V75-Y102 HydrophobicContact CG2-CE2 4.46Å; V75-L119 HydrophobicContact CG1-CD1 3.53Å; V75-L119 HydrophobicContact CG2-CD1 4.12Å
76M98.1Very high96.6Very high87 Ų8744.7 Ų44.743%0.42922%0.216SC..Hα-helixtrans-66.2-42.7178.5-70.7-55.6-60.400112.5N72 T73 L78 L79 V80N72-M76 WeakPolarHBondContact O-CG 3.41Å; N72-M76 PolarHBondContact O-N 3.37Å; T73-M76 CarbonylContact O-C 3.54Å; T73-M76 PolarHBondContact O-N 2.78Å; M76-L78 VanDerWaalsContact C-N 3.3Å; M76-L78 PolarHBondContact O-N 3.28Å; M76-L79 PolarHBondContact O-N 3.08Å; M76-L79 HydrophobicContact SD-CD1 4.11Å; M76-V80 HydrophobicContact CE-CG2 4.47Å; M76-V80 WeakPolarHBondContact O-CB 3.31Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.28Å
77E98.1Very high96.6Very high3 Ų349 Ų491%0.01424%0.243CC..Hα-helixtrans-53.5-47.9173.2-73174.1163.800111.6A13 S15 V39 T48 Q65 T73 M81A13-E77 WeakPolarHBondContact O-CB 3.44Å; S15-E77 WeakPolarHBondContact CB-OE1 3.25Å; S15-E77 PolarHBondContact OG-OE1 3.41Å; V39-E77 HydrophobicContact CG1-CB 4.19Å; V39-E77 HydrophobicContact CG1-CG 3.71Å; T48-E77 HydrophobicContact CG2-CB 4.22Å; T48-E77 HydrophobicContact CG2-CG 3.56Å; Q65-E77 PolarHBondContact NE2-OE2 2.8Å; T73-E77 HydrophobicContact CG2-CG 4.24Å; T73-E77 WeakPolarHBondContact O-CG 3.41Å; T73-E77 PolarHBondContact O-N 2.88Å; E77-M81 VanDerWaalsContact O-CB 3.26Å; E77-M81 WeakPolarHBondContact O-CB 3.44Å; E77-M81 PolarHBondContact O-N 3.16Å
78L98.4Very high96.8Very high6 Ų651 Ų513%0.03126%0.257CS..Hα-helixtrans-64.1-46.717817659.5000112.2I63 Q65 A74 V75 M76 M81 A82 I97 L123I63-L78 HydrophobicContact CB-CD1 4.25Å; I63-L78 HydrophobicContact CD1-CD1 4.39Å; I63-L78 HydrophobicContact CG2-CD1 3.66Å; Q65-L78 HydrophobicContact CB-CD1 4.21Å; Q65-L78 HydrophobicContact CB-CD2 4.25Å; Q65-L78 HydrophobicContact CG-CB 4.09Å; Q65-L78 HydrophobicContact CG-CD2 4.32Å; A74-L78 PolarHBondContact O-N 3.07Å; V75-L78 PolarHBondContact O-N 3.11Å; M76-L78 VanDerWaalsContact C-N 3.3Å; M76-L78 PolarHBondContact O-N 3.28Å; L78-M81 PolarHBondContact O-N 3.3Å; L78-A82 VanDerWaalsContact O-CB 3.25Å; L78-A82 WeakPolarHBondContact O-CB 3.39Å; L78-A82 PolarHBondContact O-N 3.38Å; L78-I97 HydrophobicContact CD2-CD1 3.63Å; L78-I97 HydrophobicContact CD2-CG1 4.04Å; L78-L123 HydrophobicContact CD2-CD2 3.64Å; L78-L123 HydrophobicContact CG-CD2 4Å
79L98.7Very high97.1Very high16 Ų1651.8 Ų51.88%0.08426%0.263CS..Hα-helixtrans-63-44.8179.9-71.3169000111.7V75 M76 Y83 M122 L123 A126V75-L79 HydrophobicContact CG1-CD1 3.73Å; V75-L79 HydrophobicContact CG1-CG 4.32Å; V75-L79 VanDerWaalsContact O-CG 3.24Å; V75-L79 WeakPolarHBondContact O-CG 3.34Å; V75-L79 PolarHBondContact O-N 3.22Å; M76-L79 PolarHBondContact O-N 3.08Å; M76-L79 HydrophobicContact SD-CD1 4.11Å; L79-Y83 WeakPolarHBondContact O-CB 3.39Å; L79-Y83 PolarHBondContact O-N 2.98Å; L79-M122 HydrophobicContact CD1-CB 4.43Å; L79-M122 HydrophobicContact CD1-CE 3.67Å; L79-M122 HydrophobicContact CD2-CB 4.02Å; L79-L123 HydrophobicContact CD2-CD2 3.86Å; L79-L123 HydrophobicContact CD2-CG 4.34Å; L79-A126 HydrophobicContact CB-CB 4.44Å; L79-A126 HydrophobicContact CD2-CB 3.62Å
80V98.5Very high97.6Very high49 Ų4941.9 Ų41.930%0.29723%0.23SC..Hα-helixtrans-67.2-43.1179.7176.90000110.4V50 M76 Y83 A84V50-V80 HydrophobicContact CB-CG1 3.94Å; V50-V80 HydrophobicContact CG2-CB 4.04Å; V50-V80 HydrophobicContact CG2-CG1 3.77Å; M76-V80 HydrophobicContact CE-CG2 4.47Å; M76-V80 WeakPolarHBondContact O-CB 3.31Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.28Å; V80-Y83 PolarHBondContact O-N 2.87Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.46Å
81M98.6Very high97.7Very high0 Ų044.6 Ų44.60%024%0.238CC..Hα-helixtrans-62.4-47.4176.1-177.1169.6-73.800111.9F11 S12 A13 V39 V50 I63 E77 L78 Y83 A84 L85F11-M81 HydrophobicContact CB-SD 3.9Å; S12-M81 WeakPolarHBondContact O-CE 3.49Å; A13-M81 HydrophobicContact CB-CB 4.32Å; A13-M81 HydrophobicContact CB-CE 4.12Å; A13-M81 HydrophobicContact CB-SD 3.72Å; V39-M81 HydrophobicContact CG2-CE 3.44Å; V39-M81 VanDerWaalsContact CG2-CE 3.44Å; V50-M81 HydrophobicContact CG1-CB 3.92Å; V50-M81 HydrophobicContact CG1-CE 3.65Å; V50-M81 HydrophobicContact CG1-CG 4.1Å; V50-M81 HydrophobicContact CG2-CB 4.25Å; I63-M81 HydrophobicContact CD1-CG 4.17Å; I63-M81 HydrophobicContact CG1-SD 4.42Å; I63-M81 HydrophobicContact CG2-CG 4.43Å; I63-M81 HydrophobicContact CG2-SD 3.71Å; E77-M81 VanDerWaalsContact O-CB 3.26Å; E77-M81 WeakPolarHBondContact O-CB 3.44Å; E77-M81 PolarHBondContact O-N 3.16Å; L78-M81 PolarHBondContact O-N 3.3Å; M81-Y83 VanDerWaalsContact C-N 3.31Å; M81-Y83 PolarHBondContact O-N 3.06Å; M81-A84 PolarHBondContact O-N 3.26Å; M81-L85 HydrophobicContact CG-CD1 3.87Å; M81-L85 HydrophobicContact CG-CG 4.47Å; M81-L85 VanDerWaalsContact O-CG 3.31Å; M81-L85 WeakPolarHBondContact O-CG 3.1Å; M81-L85 PolarHBondContact O-N 3.36Å
82A98.6Very high97.8Very high0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-58.1-44.5176.600000112I63 L78 L85 K86 I93 A126 L128I63-A82 HydrophobicContact CD1-CB 4.01Å; L78-A82 VanDerWaalsContact O-CB 3.25Å; L78-A82 WeakPolarHBondContact O-CB 3.39Å; L78-A82 PolarHBondContact O-N 3.38Å; A82-L85 PolarHBondContact O-N 2.97Å; A82-K86 WeakPolarHBondContact O-CB 3.26Å; A82-K86 PolarHBondContact O-N 2.92Å; A82-I93 HydrophobicContact CB-CG2 4.48Å; A82-A126 HydrophobicContact CB-CB 4.19Å; A82-L128 HydrophobicContact CB-CD1 3.33Å
83Y98.6Very high97.9Very high138 Ų13841.3 Ų41.354%0.54122%0.219SC..Hα-helixtrans-66.8-38.7178.7-166.2-107.3000112.3L79 V80 M81 K86 T87 A126L79-Y83 WeakPolarHBondContact O-CB 3.39Å; L79-Y83 PolarHBondContact O-N 2.98Å; V80-Y83 PolarHBondContact O-N 2.87Å; M81-Y83 VanDerWaalsContact C-N 3.31Å; M81-Y83 PolarHBondContact O-N 3.06Å; Y83-K86 PolarHBondContact O-N 3.33Å; Y83-T87 WeakPolarHBondContact O-CB 3.42Å; Y83-T87 PolarHBondContact O-N 2.85Å; Y83-T87 PolarHBondContact O-OG1 3.09Å; Y83-T87 VanDerWaalsContact O-OG1 3.06Å; Y83-A126 WeakPolarHBondContact CA-O 3.44Å
84A98.4Very high98Very high26 Ų2640.7 Ų40.722%0.21522%0.215CC..Hα-helixtrans-62.6-42.5174.600000112.2V52 V80 M81 T87 S88V52-A84 HydrophobicContact CG2-CB 4.47Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.46Å; M81-A84 PolarHBondContact O-N 3.26Å; A84-T87 PolarHBondContact O-N 2.9Å; A84-S88 WeakPolarHBondContact O-CB 3.36Å; A84-S88 PolarHBondContact O-N 3.41Å; A84-S88 PolarHBondContact O-OG 2.88Å
85L98.4Very high98.1Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-66.4-39.8176.5-70.5165.3000112F11 V52 V56 I61 I63 M81 A82 S88 C89 A90 I93F11-L85 HydrophobicContact CD2-CD2 4.49Å; F11-L85 HydrophobicContact CE2-CD2 4.19Å; V52-L85 HydrophobicContact CG1-CD2 4.29Å; V52-L85 HydrophobicContact CG2-CD2 4.06Å; V52-L85 HydrophobicContact CG2-CG 4.37Å; V56-L85 HydrophobicContact CB-CD2 4.05Å; V56-L85 HydrophobicContact CG1-CD2 3.7Å; V56-L85 HydrophobicContact CG2-CD2 3.75Å; I61-L85 HydrophobicContact CG2-CD1 3.76Å; I61-L85 HydrophobicContact CG2-CD2 4.13Å; I63-L85 HydrophobicContact CD1-CD1 3.48Å; I63-L85 VanDerWaalsContact CD1-CD1 3.48Å; I63-L85 HydrophobicContact CG1-CD1 3.63Å; M81-L85 HydrophobicContact CG-CD1 3.87Å; M81-L85 HydrophobicContact CG-CG 4.47Å; M81-L85 VanDerWaalsContact O-CG 3.31Å; M81-L85 WeakPolarHBondContact O-CG 3.1Å; M81-L85 PolarHBondContact O-N 3.36Å; A82-L85 PolarHBondContact O-N 2.97Å; L85-S88 CarbonylContact O-C 3.58Å; L85-S88 PolarHBondContact O-N 3.06Å; L85-C89 PolarHBondContact O-N 3.15Å; L85-A90 HydrophobicContact CB-CB 4.38Å; L85-A90 WeakPolarHBondContact O-CB 3.31Å; L85-A90 PolarHBondContact O-N 2.62Å; L85-A90 VanDerWaalsContact O-N 3.11Å; L85-I93 HydrophobicContact CB-CD1 3.89Å; L85-I93 HydrophobicContact CB-CG1 4.42Å
86K98.3Very high98.1Very high95 Ų9540 Ų4041%0.41321%0.211SC..Hα-helixtrans-62.2-48.6174175.9175.1174.9174.20111.8A82 Y83 S88 C89 I93 K125 A126A82-K86 WeakPolarHBondContact O-CB 3.26Å; A82-K86 PolarHBondContact O-N 2.92Å; Y83-K86 PolarHBondContact O-N 3.33Å; K86-S88 PolarHBondContact O-N 3.08Å; K86-C89 PolarHBondContact O-N 3.43Å; K86-I93 HydrophobicContact CB-CD1 3.77Å; K86-K125 PolarHBondContact NZ-O 2.59Å; K86-A126 WeakPolarHBondContact CD-O 3.48Å
87T97.9Very high98.1Very high92 Ų9235.9 Ų35.956%0.56419%0.191SC*.Hα-helixtrans-60.2-31.8175.7-62.50000111.6Y83 A84 C89Y83-T87 WeakPolarHBondContact O-CB 3.42Å; Y83-T87 PolarHBondContact O-N 2.85Å; Y83-T87 PolarHBondContact O-OG1 3.09Å; Y83-T87 VanDerWaalsContact O-OG1 3.06Å; A84-T87 PolarHBondContact O-N 2.9Å; T87-C89 PolarHBondContact O-N 2.87Å
88S97.4Very high98.1Very high50 Ų5035.8 Ų35.835%0.3519%0.19SC..THydrogen-bonded Turntrans-80.310.7175.7-55.60000114.1V56 A84 L85 K86 A90V56-S88 VanDerWaalsContact CG2-CB 3.43Å; A84-S88 WeakPolarHBondContact O-CB 3.36Å; A84-S88 PolarHBondContact O-N 3.41Å; A84-S88 PolarHBondContact O-OG 2.88Å; L85-S88 CarbonylContact O-C 3.58Å; L85-S88 PolarHBondContact O-N 3.06Å; K86-S88 PolarHBondContact O-N 3.08Å; S88-A90 PolarHBondContact O-N 3.38Å
89C97.1Very high98.1Very high59 Ų5936.4 Ų36.440%0.39919%0.192SC..THydrogen-bonded Turntrans61.237.2177.2-49.70000114.3R57 G58 L85 K86 T87R57-C89 HydrophobicContact CG-CB 4.22Å; R57-C89 PolarHBondContact NH1-SG 2.7Å; R57-C89 VanDerWaalsContact NH1-SG 3.45Å; G58-C89 PolarHBondContact N-O 2.68Å; L85-C89 PolarHBondContact O-N 3.15Å; K86-C89 PolarHBondContact O-N 3.43Å; T87-C89 PolarHBondContact O-N 2.87Å
90A97.4Very high98.1Very high18 Ų1835.8 Ų35.815%0.14919%0.189CC..  trans-56143.5164.600000110.5V56 I61 L85 S88 I93V56-A90 WeakPolarHBondContact O-CA 3.23Å; I61-A90 HydrophobicContact CG1-CB 3.69Å; L85-A90 HydrophobicContact CB-CB 4.38Å; L85-A90 WeakPolarHBondContact O-CB 3.31Å; L85-A90 PolarHBondContact O-N 2.62Å; L85-A90 VanDerWaalsContact O-N 3.11Å; S88-A90 PolarHBondContact O-N 3.38Å; A90-I93 HydrophobicContact CB-CD1 4.16Å; A90-I93 HydrophobicContact CB-CG1 3.85Å
91K96.1Very high98.1Very high134 Ų13433.7 Ų33.758%0.58318%0.176SC*.SBendtrans-76.8-51.1-177.8179-172.7169.8-159.80111G58 Q59G58-K91 WeakPolarHBondContact O-CB 3.33Å; Q59-K91 WeakPolarHBondContact O-CB 3.21Å; Q59-K91 PolarHBondContact O-N 3.44Å
92N97.4Very high98Very high57 Ų5736.1 Ų36.131%0.30519%0.186SC..EExtended strand (participates in β ladder)trans-131.3143.8174.1-68.5-66.5000109.5D60 I61 I94D60-N92 WeakPolarHBondContact OD1-CB 3.28Å; D60-N92 PolarHBondContact OD1-ND2 2.81Å; I61-N92 PolarHBondContact N-O 2.95Å; N92-I94 HydrophobicContact CB-CD1 3.81Å
93I98.4Very high97.9Very high4 Ų436.3 Ų36.32%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-126.4100.1178.6-54.8175000107.4I63 A82 L85 K86 A90 L128 T129I63-I93 HydrophobicContact CD1-CG2 3.58Å; I63-I93 HydrophobicContact CG1-CG2 4.24Å; A82-I93 HydrophobicContact CB-CG2 4.48Å; L85-I93 HydrophobicContact CB-CD1 3.89Å; L85-I93 HydrophobicContact CB-CG1 4.42Å; K86-I93 HydrophobicContact CB-CD1 3.77Å; A90-I93 HydrophobicContact CB-CD1 4.16Å; A90-I93 HydrophobicContact CB-CG1 3.85Å; I93-L128 HydrophobicContact CG2-CD1 4.42Å; I93-L128 WeakPolarHBondContact O-CA 3.44Å; I93-T129 PolarHBondContact N-OG1 3.38Å; I93-T129 PolarHBondContact O-N 3.42Å; I93-T129 PolarHBondContact O-OG1 3.46Å
94I98.7Very high97.6Very high6 Ų634.4 Ų34.43%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-96.4117.5-177.6-56.390.4000108.7I61 F62 I63 N92 H130 I132I61-I94 WeakPolarHBondContact O-CD1 3.46Å; I61-I94 PolarHBondContact O-N 3.47Å; F62-I94 CarbonylContact C-O 3.47Å; F62-I94 WeakPolarHBondContact CA-O 3.34Å; F62-I94 HydrophobicContact CD1-CB 3.59Å; F62-I94 HydrophobicContact CD1-CD1 4.32Å; F62-I94 HydrophobicContact CD1-CG1 4.21Å; F62-I94 HydrophobicContact CD1-CG2 3.67Å; F62-I94 HydrophobicContact CE1-CB 3.81Å; F62-I94 HydrophobicContact CE1-CD1 4.04Å; F62-I94 HydrophobicContact CE1-CG1 3.94Å; F62-I94 HydrophobicContact CE1-CG2 3.79Å; F62-I94 HydrophobicContact CE2-CD1 4.39Å; F62-I94 HydrophobicContact CG-CB 4.32Å; F62-I94 HydrophobicContact CZ-CD1 4.08Å; F62-I94 HydrophobicContact CZ-CG1 4.43Å; I63-I94 PolarHBondContact N-O 3.3Å; N92-I94 HydrophobicContact CB-CD1 3.81Å; I94-H130 CarbonylContact C-O 3.51Å; I94-H130 WeakPolarHBondContact CA-O 3.21Å; I94-H130 HydrophobicContact CB-CB 4.37Å; I94-H130 HydrophobicContact CG1-CB 3.91Å; I94-H130 HydrophobicContact CG2-CB 4.09Å; I94-I132 HydrophobicContact CG2-CD1 4.1Å; I94-I132 HydrophobicContact CG2-CG1 3.92Å
95G98.6Very high97.4Very high0 Ų037.5 Ų37.50%019%0.191CC..EExtended strand (participates in β ladder)trans-84.4113173.600000110.9H130 I131 I132G95-H130 PolarHBondContact N-O 2.96Å; G95-I131 CarbonylContact O-C 3.59Å; G95-I131 VanDerWaalsContact O-CA 3.25Å; G95-I131 WeakPolarHBondContact O-CA 3.4Å; G95-I132 PolarHBondContact O-N 2.82Å
96V98.7Very high97.2Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-92.798.6170.1-172.30000107.5F62 I63 I64 Q65 P98 I132 L333 I337F62-V96 HydrophobicContact CB-CG2 4.29Å; F62-V96 HydrophobicContact CD1-CG2 4.11Å; I63-V96 PolarHBondContact O-N 2.97Å; I64-V96 WeakPolarHBondContact CA-O 3.38Å; I64-V96 HydrophobicContact CG1-CB 4.05Å; I64-V96 HydrophobicContact CG1-CG1 4.41Å; I64-V96 HydrophobicContact CG1-CG2 4.41Å; Q65-V96 PolarHBondContact N-O 3.44Å; V96-P98 WeakPolarHBondContact O-CD 3.23Å; V96-I132 CarbonylContact C-O 3.58Å; V96-I132 WeakPolarHBondContact CA-O 3.17Å; V96-I132 HydrophobicContact CG1-CB 4.44Å; V96-I132 HydrophobicContact CG2-CB 4.42Å; V96-I132 HydrophobicContact CG2-CD1 4.01Å; V96-I132 HydrophobicContact CG2-CG1 4.5Å; V96-L333 HydrophobicContact CG1-CD2 4.09Å; V96-I337 HydrophobicContact CG2-CD1 4.03Å; V96-I337 HydrophobicContact CG2-CG1 4.05Å
97I98.6Very high96.8Very high1 Ų138.6 Ų38.61%0.00520%0.197CC..  trans-122.183.2-171.9-48.4169.9000107.6L78 Y99 F100 L123 L128 I131 I132 T133L78-I97 HydrophobicContact CD2-CD1 3.63Å; L78-I97 HydrophobicContact CD2-CG1 4.04Å; I97-Y99 WeakPolarHBondContact CG2-O 3.12Å; I97-Y99 PolarHBondContact O-N 3.27Å; I97-F100 HydrophobicContact CD1-CD2 4.33Å; I97-F100 HydrophobicContact CD1-CE2 4.19Å; I97-F100 HydrophobicContact CG2-CD2 4.19Å; I97-L123 HydrophobicContact CD1-CD1 4.21Å; I97-L128 HydrophobicContact CD1-CD2 4.41Å; I97-I131 HydrophobicContact CD1-CD1 4.21Å; I97-I131 HydrophobicContact CD1-CG1 4.23Å; I97-I131 HydrophobicContact CD1-CG2 4.46Å; I97-I132 PolarHBondContact N-O 3.35Å; I97-T133 WeakPolarHBondContact O-CA 3.48Å; I97-T133 VanDerWaalsContact O-CB 3.25Å; I97-T133 WeakPolarHBondContact O-CB 3.35Å; I97-T133 PolarHBondContact O-OG1 3.15Å
98P98.3Very high96.4Very high0 Ų040.2 Ų40.20%020%0.2CC..SBendtrans-59.2-42.7-168.8-25.835.9000113.3L22 Q65 V96 M134 H287 T311 L333L22-P98 HydrophobicContact CD2-CB 4.18Å; L22-P98 HydrophobicContact CD2-CG 3.6Å; Q65-P98 VanDerWaalsContact O-CD 3.3Å; Q65-P98 WeakPolarHBondContact O-CD 3.39Å; V96-P98 WeakPolarHBondContact O-CD 3.23Å; P98-M134 PolarHBondContact O-N 3.16Å; P98-H287 PolarHBondContact O-CE1 3.28Å; P98-T311 HydrophobicContact CB-CG2 3.8Å; P98-L333 HydrophobicContact CB-CD1 4.18Å; P98-L333 HydrophobicContact CG-CD1 3.86Å
99Y98.4Very high95.8Very high19 Ų1946.8 Ų46.88%0.07522%0.217CC..SBendtrans-107.5117.2166.2167.2-116.1000109.4I67 I97 P101 I259 H287 L289 V312I67-Y99 HydrophobicContact CB-CD1 3.98Å; I67-Y99 HydrophobicContact CB-CE1 4.47Å; I67-Y99 HydrophobicContact CG1-CD1 4.07Å; I67-Y99 WeakPolarHBondContact CG1-O 3.25Å; I67-Y99 HydrophobicContact CG2-CD1 4.48Å; I67-Y99 HydrophobicContact CG2-CE1 4.49Å; I97-Y99 WeakPolarHBondContact CG2-O 3.12Å; I97-Y99 PolarHBondContact O-N 3.27Å; Y99-P101 WeakPolarHBondContact O-CD 3.45Å; Y99-I259 HydrophobicContact CE2-CD1 3.92Å; Y99-I259 HydrophobicContact CE2-CG1 4.25Å; Y99-H287 HydrophobicContact CD2-CB 3.95Å; Y99-H287 AromaticContact CD2-CD2 3.79Å; Y99-H287 AromaticContact CD2-CG 3.55Å; Y99-H287 AromaticContact CD2-ND1 3.77Å; Y99-H287 HydrophobicContact CE2-CB 4.49Å; Y99-H287 HydrophobicContact CG-CB 4.5Å; Y99-L289 HydrophobicContact CD1-CD1 4.08Å; Y99-L289 HydrophobicContact CD2-CD1 4.24Å; Y99-L289 HydrophobicContact CE1-CD1 3.82Å; Y99-L289 HydrophobicContact CE1-CD2 3.95Å; Y99-L289 HydrophobicContact CE1-CG 4.22Å; Y99-L289 HydrophobicContact CE2-CD1 4Å; Y99-L289 HydrophobicContact CG-CD1 4.29Å; Y99-L289 WeakPolarHBondContact OH-CD2 3.43Å; Y99-V312 VanDerWaalsContact CB-CG2 3.49Å; Y99-V312 HydrophobicContact CD1-CG2 3.76Å; Y99-V312 HydrophobicContact CG-CG2 3.73Å
100F98.3Very high95.3Very high3 Ų350.5 Ų50.51%0.01323%0.227CC..  trans-79.8114.9179-163.3-99.1000110.9I97 S103 L119 L123 I131 L136 F145I97-F100 HydrophobicContact CD1-CD2 4.33Å; I97-F100 HydrophobicContact CD1-CE2 4.19Å; I97-F100 HydrophobicContact CG2-CD2 4.19Å; F100-S103 WeakPolarHBondContact O-CB 3.25Å; F100-S103 PolarHBondContact O-OG 2.83Å; F100-L119 HydrophobicContact CE1-CD2 3.81Å; F100-L119 HydrophobicContact CE1-CG 4.42Å; F100-L119 HydrophobicContact CE2-CD2 4.49Å; F100-L119 HydrophobicContact CZ-CD2 3.73Å; F100-L119 HydrophobicContact CZ-CG 4.03Å; F100-L123 HydrophobicContact CE2-CD1 3.66Å; F100-L123 HydrophobicContact CZ-CD1 3.82Å; F100-I131 HydrophobicContact CE2-CD1 4.27Å; F100-L136 HydrophobicContact CB-CD2 3.65Å; F100-L136 HydrophobicContact CD1-CD2 4.42Å; F100-L136 HydrophobicContact CG-CD2 4.08Å; F100-F145 HydrophobicContact CD2-CZ 4.48Å; F100-F145 HydrophobicContact CE1-CZ 4.11Å; F100-F145 HydrophobicContact CE2-CE1 4.21Å; F100-F145 AromaticContact CE2-CZ 3.66Å; F100-F145 HydrophobicContact CE2-CZ 3.66Å; F100-F145 HydrophobicContact CZ-CE1 4.04Å; F100-F145 AromaticContact CZ-CZ 3.45Å; F100-F145 HydrophobicContact CZ-CZ 3.45Å; F100-F145 VanDerWaalsContact CZ-CZ 3.45Å
101P97.4Very high94.7Very high5 Ų560.5 Ų60.53%0.03226%0.26CS..THydrogen-bonded Turntrans-69.8159.3-176.128.5-31.9000111.1I67 V71 V75 Y99 S103 L119I67-P101 HydrophobicContact CD1-CB 4.28Å; I67-P101 HydrophobicContact CD1-CG 3.81Å; I67-P101 HydrophobicContact CG1-CB 4.16Å; I67-P101 HydrophobicContact CG1-CG 4.09Å; I67-P101 HydrophobicContact CG2-CB 4.31Å; V71-P101 HydrophobicContact CG2-CB 3.5Å; V75-P101 HydrophobicContact CG2-CB 4.45Å; V75-P101 HydrophobicContact CG2-CG 3.86Å; Y99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-S103 PolarHBondContact O-N 3.09Å; P101-L119 HydrophobicContact CG-CD2 3.77Å; P101-L119 WeakPolarHBondContact O-CD2 3.41Å
102Y97.3Very high94.3Very high52 Ų5256 Ų5620%0.20425%0.252CS..THydrogen-bonded Turntrans59.78.8-176.1-65.9-83.9000115.2V71 N72 V75 K104 Q105 V115 C116 L119V71-Y102 HydrophobicContact CG1-CE2 4.34Å; V71-Y102 HydrophobicContact CG2-CD2 4.31Å; V71-Y102 HydrophobicContact CG2-CE2 3.89Å; N72-Y102 PolarHBondContact OD1-OH 3.43Å; V75-Y102 HydrophobicContact CG2-CE2 4.46Å; Y102-K104 VanDerWaalsContact C-N 3.32Å; Y102-K104 PolarHBondContact O-N 2.86Å; Y102-Q105 CarbonylContact O-C 3.53Å; Y102-Q105 WeakPolarHBondContact O-CA 3.34Å; Y102-Q105 WeakPolarHBondContact O-CB 3.39Å; Y102-Q105 PolarHBondContact O-N 2.88Å; Y102-V115 HydrophobicContact CD1-CB 4.23Å; Y102-V115 HydrophobicContact CD1-CG1 3.49Å; Y102-V115 VanDerWaalsContact CD1-CG1 3.49Å; Y102-V115 HydrophobicContact CE1-CG1 3.96Å; Y102-V115 HydrophobicContact CG-CG1 3.89Å; Y102-C116 WeakPolarHBondContact O-CB 3.25Å; Y102-L119 HydrophobicContact CD2-CD2 4.19Å
103S95.9Very high94Very high3 Ų357 Ų572%0.02126%0.264CS..G310 helixtrans-62.3-32.8-178.254.40000113.9F100 P101 Q105 C106F100-S103 WeakPolarHBondContact O-CB 3.25Å; F100-S103 PolarHBondContact O-OG 2.83Å; P101-S103 PolarHBondContact O-N 3.09Å; S103-Q105 PolarHBondContact O-N 2.81Å; S103-C106 WeakPolarHBondContact O-CB 3.27Å; S103-C106 PolarHBondContact O-N 2.75Å; S103-C106 PolarHBondContact O-SG 2.81Å
104K93.4Very high93.9Very high98 Ų9859.9 Ų59.943%0.42628%0.279SS..G310 helixtrans-60.4-24.8169.3-80.3-178.9158.2-179.80113.2Y102 C106 I259 D261Y102-K104 VanDerWaalsContact C-N 3.32Å; Y102-K104 PolarHBondContact O-N 2.86Å; K104-C106 VanDerWaalsContact C-N 3.29Å; K104-C106 PolarHBondContact O-N 2.84Å; K104-I259 HydrophobicContact CG-CD1 4.13Å; K104-D261 IonicContact NZ-OD2 2.85Å
105Q94.1Very high93.8Very high91 Ų9161 Ų6143%0.42529%0.285SS..G310 helixtrans-94.240177.4-54-17627.100112Y102 S103 V115 C116Y102-Q105 CarbonylContact O-C 3.53Å; Y102-Q105 WeakPolarHBondContact O-CA 3.34Å; Y102-Q105 WeakPolarHBondContact O-CB 3.39Å; Y102-Q105 PolarHBondContact O-N 2.88Å; S103-Q105 PolarHBondContact O-N 2.81Å; Q105-V115 HydrophobicContact CB-CB 4.15Å; Q105-V115 PolarHBondContact O-N 3.33Å; Q105-C116 WeakPolarHBondContact O-CB 3.41Å; Q105-C116 PolarHBondContact O-N 2.9Å
106C93.1Very high93.7Very high10 Ų1061 Ų617%0.06829%0.285CS..  trans-88.7-7178.460.10000114.4S103 K104 I114 C116 Q138 I141 F144S103-C106 WeakPolarHBondContact O-CB 3.27Å; S103-C106 PolarHBondContact O-N 2.75Å; S103-C106 PolarHBondContact O-SG 2.81Å; K104-C106 VanDerWaalsContact C-N 3.29Å; K104-C106 PolarHBondContact O-N 2.84Å; C106-I114 WeakPolarHBondContact O-CG2 3.25Å; C106-C116 HydrophobicContact CB-CB 4.16Å; C106-Q138 VanDerWaalsContact SG-CG 3.54Å; C106-I141 HydrophobicContact CB-CD1 3.72Å; C106-I141 HydrophobicContact CB-CG1 3.67Å; C106-F144 HydrophobicContact CB-CE2 4.04Å; C106-F144 HydrophobicContact CB-CZ 4.43Å
107K90.1Very high93.7Very high108 Ų10865 Ų6547%0.4730%0.303SS..SBendtrans-122.9139.9176.4-66.1176.4-174.7168.80109.6R109K107-R109 PolarHBondContact O-N 2.85Å
108M89.6Confident93.7Very high127 Ų12769.8 Ų69.863%0.62633%0.328SS*.  trans-67.4124.5174.6-168.4173.177.700109.1G112 I114M108-G112 WeakPolarHBondContact CG-O 3.43Å; M108-I114 HydrophobicContact CB-CD1 4.45Å; M108-I114 HydrophobicContact CB-CG1 4.03Å
109R84.1Confident93.7Very high188 Ų18870.1 Ų70.171%0.70933%0.33SS*.  trans-110.6131.9175-60-62.6-171.8167.94.6108.9K107 R111 G112K107-R109 PolarHBondContact O-N 2.85Å; R109-R111 PolarHBondContact O-N 3.03Å; R109-G112 WeakPolarHBondContact O-CA 3.3Å; R109-G112 PolarHBondContact O-N 3.46Å
110K86.9Confident93.7Very high137 Ų13769.3 Ų69.360%0.59633%0.327SS*.SBendtrans47.3-136.3-179.1-59.8176.6-178.9169.20110.4G112 D209K110-G112 VanDerWaalsContact C-N 3.26Å; K110-G112 PolarHBondContact O-N 3.29Å; K110-D209 IonicContact NZ-OD1 3.87Å
111R85.1Confident93.7Very high227 Ų22771.8 Ų71.886%0.85735%0.345SS*.SBendtrans-87.958170.1-63.5-176.2-174.5-172.14.3110.9R109R109-R111 PolarHBondContact O-N 3.03Å
112G87.4Confident93.7Very high40 Ų4075.2 Ų75.241%0.41236%0.361SS..  trans-109.3-169.3-178.300000113.4M108 R109 K110M108-G112 WeakPolarHBondContact CG-O 3.43Å; R109-G112 WeakPolarHBondContact O-CA 3.3Å; R109-G112 PolarHBondContact O-N 3.46Å; K110-G112 VanDerWaalsContact C-N 3.26Å; K110-G112 PolarHBondContact O-N 3.29Å
113S92.1Very high93.8Very high79 Ų7972.8 Ų72.855%0.55235%0.352SS*.  trans-121.6164.2175.462.50000111.2V115S113-V115 PolarHBondContact O-N 3.26Å; S113-V115 WeakPolarHBondContact OG-CG2 3.43Å
114I95.6Very high93.9Very high64 Ų6473.8 Ų73.833%0.32836%0.36SS..  trans-94.583.4171.3-55.5177.2000107.6C106 M108 C116 K117 L118 F144C106-I114 WeakPolarHBondContact O-CG2 3.25Å; M108-I114 HydrophobicContact CB-CD1 4.45Å; M108-I114 HydrophobicContact CB-CG1 4.03Å; I114-C116 PolarHBondContact O-N 2.88Å; I114-K117 HydrophobicContact CB-CB 4.17Å; I114-K117 HydrophobicContact CG2-CB 3.74Å; I114-K117 WeakPolarHBondContact O-CB 3.49Å; I114-K117 PolarHBondContact O-N 3.37Å; I114-L118 PolarHBondContact O-N 3.19Å; I114-F144 HydrophobicContact CG2-CE2 3.86Å; I114-F144 HydrophobicContact CG2-CZ 3.91Å
115V96.9Very high94.1Very high29 Ų2977 Ų7718%0.17637%0.374CS..Hα-helixtrans-63-33.4-174.7-178.20000111.6Y102 Q105 S113 K117 L118 L119Y102-V115 HydrophobicContact CD1-CB 4.23Å; Y102-V115 HydrophobicContact CD1-CG1 3.49Å; Y102-V115 VanDerWaalsContact CD1-CG1 3.49Å; Y102-V115 HydrophobicContact CE1-CG1 3.96Å; Y102-V115 HydrophobicContact CG-CG1 3.89Å; Q105-V115 HydrophobicContact CB-CB 4.15Å; Q105-V115 PolarHBondContact O-N 3.33Å; S113-V115 PolarHBondContact O-N 3.26Å; S113-V115 WeakPolarHBondContact OG-CG2 3.43Å; V115-K117 PolarHBondContact O-N 3.41Å; V115-L118 WeakPolarHBondContact O-CB 3.38Å; V115-L118 PolarHBondContact O-N 3.37Å; V115-L118 VanDerWaalsContact O-N 3.11Å; V115-L119 PolarHBondContact O-N 3.49Å
116C97.5Very high94.3Very high0 Ų073.1 Ų73.10%036%0.358CS..Hα-helixtrans-56.7-37.2173.5-170.50000112.5Y102 Q105 C106 I114 A120 F144Y102-C116 WeakPolarHBondContact O-CB 3.25Å; Q105-C116 WeakPolarHBondContact O-CB 3.41Å; Q105-C116 PolarHBondContact O-N 2.9Å; C106-C116 HydrophobicContact CB-CB 4.16Å; I114-C116 PolarHBondContact O-N 2.88Å; C116-A120 PolarHBondContact O-N 3.26Å; C116-F144 HydrophobicContact CB-CD2 4.27Å; C116-F144 HydrophobicContact CB-CE2 4.02Å
117K97.8Very high94.5Very high85 Ų8573 Ų7337%0.3736%0.358SS..Hα-helixtrans-73.6-37.8177.1173.563.7-178.5-161.90111.8I114 V115 A120 S121 F144I114-K117 HydrophobicContact CB-CB 4.17Å; I114-K117 HydrophobicContact CG2-CB 3.74Å; I114-K117 WeakPolarHBondContact O-CB 3.49Å; I114-K117 PolarHBondContact O-N 3.37Å; V115-K117 PolarHBondContact O-N 3.41Å; K117-A120 PolarHBondContact O-N 3.4Å; K117-S121 PolarHBondContact O-N 3.11Å; K117-S121 PolarHBondContact O-OG 2.91Å; K117-F144 HydrophobicContact CB-CD2 3.98Å; K117-F144 HydrophobicContact CB-CE2 4.26Å; K117-F144 HydrophobicContact CB-CG 4.16Å; K117-F144 HydrophobicContact CD-CB 3.7Å; K117-F144 HydrophobicContact CD-CD1 4.16Å; K117-F144 HydrophobicContact CD-CG 3.9Å; K117-F144 PolarHBondContact NZ-O 3.33Å
118L98.1Very high94.9Very high100 Ų10068.2 Ų68.252%0.52434%0.338SS..Hα-helixtrans-58.8-49.9172.6171.962.6000110.2I114 V115 A120 S121 M122I114-L118 PolarHBondContact O-N 3.19Å; V115-L118 WeakPolarHBondContact O-CB 3.38Å; V115-L118 PolarHBondContact O-N 3.37Å; V115-L118 VanDerWaalsContact O-N 3.11Å; L118-A120 PolarHBondContact O-N 3.44Å; L118-S121 WeakPolarHBondContact O-CB 3.39Å; L118-S121 PolarHBondContact O-N 2.8Å; L118-S121 VanDerWaalsContact O-N 3.08Å; L118-M122 HydrophobicContact CD1-CG 4.28Å; L118-M122 HydrophobicContact CD1-SD 4.23Å; L118-M122 HydrophobicContact CG-SD 4.07Å; L118-M122 WeakPolarHBondContact O-CG 3.42Å; L118-M122 PolarHBondContact O-N 3.37Å
119L98.3Very high95.3Very high8 Ų864.5 Ų64.54%0.04232%0.322CS..Hα-helixtrans-58.3-47.2177.9177.862.9000111.9V75 F100 P101 Y102 V115 S121 M122 L123V75-L119 HydrophobicContact CG1-CD1 3.53Å; V75-L119 HydrophobicContact CG2-CD1 4.12Å; F100-L119 HydrophobicContact CE1-CD2 3.81Å; F100-L119 HydrophobicContact CE1-CG 4.42Å; F100-L119 HydrophobicContact CE2-CD2 4.49Å; F100-L119 HydrophobicContact CZ-CD2 3.73Å; F100-L119 HydrophobicContact CZ-CG 4.03Å; P101-L119 HydrophobicContact CG-CD2 3.77Å; P101-L119 WeakPolarHBondContact O-CD2 3.41Å; Y102-L119 HydrophobicContact CD2-CD2 4.19Å; V115-L119 PolarHBondContact O-N 3.49Å; L119-S121 PolarHBondContact O-N 3.08Å; L119-M122 PolarHBondContact O-N 3.47Å; L119-M122 VanDerWaalsContact O-N 3.12Å; L119-L123 HydrophobicContact CD1-CD1 4.36Å; L119-L123 HydrophobicContact CD1-CG 4.28Å; L119-L123 HydrophobicContact CG-CD1 4.12Å; L119-L123 HydrophobicContact CG-CG 4.49Å; L119-L123 WeakPolarHBondContact O-CG 3.39Å; L119-L123 PolarHBondContact O-N 3.44Å
120A98.1Very high96Very high1 Ų157 Ų571%0.00830%0.295CS..Hα-helixtrans-55.3-40.5175.500000112.3C116 K117 L118 A124 F144 F145C116-A120 PolarHBondContact O-N 3.26Å; K117-A120 PolarHBondContact O-N 3.4Å; L118-A120 PolarHBondContact O-N 3.44Å; A120-A124 PolarHBondContact O-N 3.22Å; A120-A124 VanDerWaalsContact O-N 3.09Å; A120-F144 HydrophobicContact CB-CB 4.01Å; A120-F145 HydrophobicContact CB-CD1 3.66Å; A120-F145 HydrophobicContact CB-CE1 3.38Å; A120-F145 HydrophobicContact CB-CE2 4.28Å; A120-F145 HydrophobicContact CB-CG 4.24Å; A120-F145 HydrophobicContact CB-CZ 3.74Å
121S98.4Very high96.6Very high56 Ų5650.5 Ų50.539%0.39227%0.267SS..Hα-helixtrans-69.3-38.2178.3-52.60000112.2K117 L118 L119 K125K117-S121 PolarHBondContact O-N 3.11Å; K117-S121 PolarHBondContact O-OG 2.91Å; L118-S121 WeakPolarHBondContact O-CB 3.39Å; L118-S121 PolarHBondContact O-N 2.8Å; L118-S121 VanDerWaalsContact O-N 3.08Å; L119-S121 PolarHBondContact O-N 3.08Å; S121-K125 WeakPolarHBondContact O-CB 3.34Å; S121-K125 PolarHBondContact O-N 2.75Å
122M98.5Very high97.2Very high76 Ų7639.7 Ų39.737%0.37423%0.226SC..Hα-helixtrans-65.6-43.6175.5-68.4173.872.200111.6L79 L118 L119 A124 K125 A126L79-M122 HydrophobicContact CD1-CB 4.43Å; L79-M122 HydrophobicContact CD1-CE 3.67Å; L79-M122 HydrophobicContact CD2-CB 4.02Å; L118-M122 HydrophobicContact CD1-CG 4.28Å; L118-M122 HydrophobicContact CD1-SD 4.23Å; L118-M122 HydrophobicContact CG-SD 4.07Å; L118-M122 WeakPolarHBondContact O-CG 3.42Å; L118-M122 PolarHBondContact O-N 3.37Å; L119-M122 PolarHBondContact O-N 3.47Å; L119-M122 VanDerWaalsContact O-N 3.12Å; M122-A124 PolarHBondContact O-N 3.02Å; M122-K125 PolarHBondContact O-N 3.18Å; M122-K125 VanDerWaalsContact O-N 3.15Å; M122-A126 WeakPolarHBondContact O-CB 3.48Å; M122-A126 PolarHBondContact O-N 2.9Å
123L98.4Very high97.7Very high2 Ų237.8 Ų37.81%0.0121%0.206CC..Hα-helixtrans-61.1-44.5176.7-71.4170.9000111.8L78 L79 I97 F100 L119 K125 A126 G127 L128 I131 F145L78-L123 HydrophobicContact CD2-CD2 3.64Å; L78-L123 HydrophobicContact CG-CD2 4Å; L79-L123 HydrophobicContact CD2-CD2 3.86Å; L79-L123 HydrophobicContact CD2-CG 4.34Å; I97-L123 HydrophobicContact CD1-CD1 4.21Å; F100-L123 HydrophobicContact CE2-CD1 3.66Å; F100-L123 HydrophobicContact CZ-CD1 3.82Å; L119-L123 HydrophobicContact CD1-CD1 4.36Å; L119-L123 HydrophobicContact CD1-CG 4.28Å; L119-L123 HydrophobicContact CG-CD1 4.12Å; L119-L123 HydrophobicContact CG-CG 4.49Å; L119-L123 WeakPolarHBondContact O-CG 3.39Å; L119-L123 PolarHBondContact O-N 3.44Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 3.33Å; L123-A126 PolarHBondContact O-N 3.03Å; L123-G127 PolarHBondContact O-N 3.47Å; L123-L128 HydrophobicContact CB-CD2 4.28Å; L123-L128 HydrophobicContact CD2-CD1 4.45Å; L123-L128 HydrophobicContact CD2-CD2 4.12Å; L123-L128 PolarHBondContact O-N 3.25Å; L123-I131 HydrophobicContact CD1-CD1 4.09Å; L123-F145 HydrophobicContact CD1-CE1 4.41Å
124A97.8Very high98Very high23 Ų2334 Ų3419%0.1918%0.18CC..Hα-helixtrans-58.4-44.4172.900000111.7A120 M122 G127 N146 F147A120-A124 PolarHBondContact O-N 3.22Å; A120-A124 VanDerWaalsContact O-N 3.09Å; M122-A124 PolarHBondContact O-N 3.02Å; A124-G127 PolarHBondContact O-N 2.92Å; A124-N146 WeakPolarHBondContact CB-OD1 3.4Å; A124-F147 HydrophobicContact CB-CD1 4.03Å; A124-F147 HydrophobicContact CB-CE1 3.64Å
125K98.3Very high98Very high165 Ų16531.2 Ų31.272%0.71717%0.166SC*.Hα-helixtrans-68.3-38.8-178.5-170.861.4178.9-178.30112.3K86 S121 M122 L123 G127K86-K125 PolarHBondContact NZ-O 2.59Å; S121-K125 WeakPolarHBondContact O-CB 3.34Å; S121-K125 PolarHBondContact O-N 2.75Å; M122-K125 PolarHBondContact O-N 3.18Å; M122-K125 VanDerWaalsContact O-N 3.15Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 3.33Å; K125-G127 PolarHBondContact O-N 2.97Å
126A98.3Very high98Very high11 Ų1130.3 Ų30.39%0.09116%0.16CC..Hα-helixtrans-61.7-32.6176.500000112L79 A82 Y83 K86 M122 L123L79-A126 HydrophobicContact CB-CB 4.44Å; L79-A126 HydrophobicContact CD2-CB 3.62Å; A82-A126 HydrophobicContact CB-CB 4.19Å; Y83-A126 WeakPolarHBondContact CA-O 3.44Å; K86-A126 WeakPolarHBondContact CD-O 3.48Å; M122-A126 WeakPolarHBondContact O-CB 3.48Å; M122-A126 PolarHBondContact O-N 2.9Å; L123-A126 PolarHBondContact O-N 3.03Å
127G97.6Very high97.9Very high8 Ų832.4 Ų32.48%0.08217%0.17CC..THydrogen-bonded Turntrans132.48.4171.300000116.2L123 A124 K125 T129L123-G127 PolarHBondContact O-N 3.47Å; A124-G127 PolarHBondContact O-N 2.92Å; K125-G127 PolarHBondContact O-N 2.97Å; G127-T129 PolarHBondContact O-N 3.39Å
128L98.5Very high97.7Very high7 Ų730.5 Ų30.54%0.03716%0.162CC..  trans-62.9136.5175.1-86.666.8000109.9A82 I93 I97 L123 I131 F147A82-L128 HydrophobicContact CB-CD1 3.33Å; I93-L128 HydrophobicContact CG2-CD1 4.42Å; I93-L128 WeakPolarHBondContact O-CA 3.44Å; I97-L128 HydrophobicContact CD1-CD2 4.41Å; L123-L128 HydrophobicContact CB-CD2 4.28Å; L123-L128 HydrophobicContact CD2-CD1 4.45Å; L123-L128 HydrophobicContact CD2-CD2 4.12Å; L123-L128 PolarHBondContact O-N 3.25Å; L128-I131 HydrophobicContact CD2-CD1 4.06Å; L128-I131 HydrophobicContact CD2-CG1 3.73Å; L128-F147 HydrophobicContact CB-CE1 4.35Å; L128-F147 HydrophobicContact CB-CZ 4.05Å
129T98.2Very high97.4Very high49 Ų4929 Ų2930%0.30115%0.151SC..SBendtrans-108.4-16.617861.70000112.4I93 G127 F147I93-T129 PolarHBondContact N-OG1 3.38Å; I93-T129 PolarHBondContact O-N 3.42Å; I93-T129 PolarHBondContact O-OG1 3.46Å; G127-T129 PolarHBondContact O-N 3.39Å; T129-F147 WeakPolarHBondContact O-CB 3.34Å
130H98.5Very high97.2Very high30 Ų3033.9 Ų33.914%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-156.5148.7177.9-159.4157.1000108.6I94 G95 P148 D150I94-H130 CarbonylContact C-O 3.51Å; I94-H130 WeakPolarHBondContact CA-O 3.21Å; I94-H130 HydrophobicContact CB-CB 4.37Å; I94-H130 HydrophobicContact CG1-CB 3.91Å; I94-H130 HydrophobicContact CG2-CB 4.09Å; G95-H130 PolarHBondContact N-O 2.96Å; H130-P148 WeakPolarHBondContact CA-O 3.35Å; H130-P148 VanDerWaalsContact CD2-C 3.46Å; H130-P148 PolarHBondContact CD2-O 2.96Å; H130-D150 IonicContact CE1-OD2 3.01Å; H130-D150 PolarHBondContact CE1-OD2 3.08Å; H130-D150 IonicContact NE2-OD2 3.91Å; H130-D150 PolarHBondContact NE2-OD2 3.3Å
131I98.3Very high97.2Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-118.6136.5165-74.8165.9000111.5G95 I97 F100 L123 L128 T133 F145 F147 P148 I149 D150G95-I131 CarbonylContact O-C 3.59Å; G95-I131 VanDerWaalsContact O-CA 3.25Å; G95-I131 WeakPolarHBondContact O-CA 3.4Å; I97-I131 HydrophobicContact CD1-CD1 4.21Å; I97-I131 HydrophobicContact CD1-CG1 4.23Å; I97-I131 HydrophobicContact CD1-CG2 4.46Å; F100-I131 HydrophobicContact CE2-CD1 4.27Å; L123-I131 HydrophobicContact CD1-CD1 4.09Å; L128-I131 HydrophobicContact CD2-CD1 4.06Å; L128-I131 HydrophobicContact CD2-CG1 3.73Å; I131-T133 HydrophobicContact CG2-CG2 4.4Å; I131-F145 HydrophobicContact CD1-CD1 3.81Å; I131-F145 HydrophobicContact CD1-CE1 3.26Å; I131-F145 HydrophobicContact CD1-CZ 3.8Å; I131-F147 HydrophobicContact CB-CE2 4.15Å; I131-F147 HydrophobicContact CD1-CE2 3.65Å; I131-F147 HydrophobicContact CD1-CZ 3.59Å; I131-F147 HydrophobicContact CG1-CE2 3.67Å; I131-F147 HydrophobicContact CG1-CZ 4.01Å; I131-P148 PolarHBondContact N-O 3.01Å; I131-I149 HydrophobicContact CB-CD1 4.29Å; I131-I149 HydrophobicContact CB-CG1 4.14Å; I131-I149 HydrophobicContact CG2-CD1 3.97Å; I131-I149 HydrophobicContact CG2-CG1 4.05Å; I131-I149 CarbonylContact O-C 3.57Å; I131-I149 VanDerWaalsContact O-CA 3.32Å; I131-I149 WeakPolarHBondContact O-CA 3.38Å; I131-D150 PolarHBondContact O-N 2.94Å
132I98.5Very high97.1Very high0 Ų034.7 Ų34.70%017%0.171CC..EExtended strand (participates in β ladder)trans-105.2125.5160.6-51.1175.9000106.9F62 I94 G95 V96 I97 L152 L333 A336 I337 I340F62-I132 HydrophobicContact CE1-CD1 4.38Å; I94-I132 HydrophobicContact CG2-CD1 4.1Å; I94-I132 HydrophobicContact CG2-CG1 3.92Å; G95-I132 PolarHBondContact O-N 2.82Å; V96-I132 CarbonylContact C-O 3.58Å; V96-I132 WeakPolarHBondContact CA-O 3.17Å; V96-I132 HydrophobicContact CG1-CB 4.44Å; V96-I132 HydrophobicContact CG2-CB 4.42Å; V96-I132 HydrophobicContact CG2-CD1 4.01Å; V96-I132 HydrophobicContact CG2-CG1 4.5Å; I97-I132 PolarHBondContact N-O 3.35Å; I132-L152 HydrophobicContact CG2-CD1 3.54Å; I132-L152 HydrophobicContact CG2-CG 3.99Å; I132-L333 HydrophobicContact CG2-CD2 4.27Å; I132-A336 HydrophobicContact CD1-CB 4.15Å; I132-A336 HydrophobicContact CG2-CB 4.06Å; I132-I337 HydrophobicContact CD1-CG1 3.91Å; I132-I340 HydrophobicContact CD1-CD1 3.35Å; I132-I340 HydrophobicContact CG1-CD1 3.51Å
133T98.5Very high97Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-139175.7177-166.70000109.8I97 I131 L136 I149 D150 N151 L152I97-T133 WeakPolarHBondContact O-CA 3.48Å; I97-T133 VanDerWaalsContact O-CB 3.25Å; I97-T133 WeakPolarHBondContact O-CB 3.35Å; I97-T133 PolarHBondContact O-OG1 3.15Å; I131-T133 HydrophobicContact CG2-CG2 4.4Å; T133-L136 HydrophobicContact CG2-CD1 3.98Å; T133-L136 HydrophobicContact CG2-CD2 3.83Å; T133-L136 HydrophobicContact CG2-CG 3.66Å; T133-I149 HydrophobicContact CG2-CD1 3.96Å; T133-I149 HydrophobicContact CG2-CG1 4.22Å; T133-D150 PolarHBondContact N-O 3.35Å; T133-N151 HydrophobicContact CG2-CB 4.27Å; T133-L152 WeakPolarHBondContact O-CB 3.41Å; T133-L152 WeakPolarHBondContact O-CG 3.32Å; T133-L152 PolarHBondContact O-N 3.4Å
134M97.8Very high97Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-134136.9177.3-164.8166.660.100110.5P98 L136 L152 A154 T286 H287 T309 T311 V329 I332P98-M134 PolarHBondContact O-N 3.16Å; M134-L136 PolarHBondContact O-N 2.81Å; M134-L152 WeakPolarHBondContact CA-O 3.35Å; M134-L152 HydrophobicContact CB-CB 4.36Å; M134-L152 HydrophobicContact CG-CB 4.13Å; M134-A154 HydrophobicContact CE-CB 3.96Å; M134-A154 HydrophobicContact CG-CB 4.44Å; M134-A154 HydrophobicContact SD-CB 3.83Å; M134-T286 HydrophobicContact CE-CG2 3.66Å; M134-T286 HydrophobicContact CG-CG2 4.32Å; M134-H287 PolarHBondContact O-CE1 3.39Å; M134-H287 PolarHBondContact O-NE2 3.22Å; M134-H287 VanDerWaalsContact O-NE2 3.08Å; M134-T309 HydrophobicContact CE-CG2 4.46Å; M134-T311 HydrophobicContact CE-CG2 2.98Å; M134-V329 HydrophobicContact CE-CB 3.89Å; M134-V329 HydrophobicContact CE-CG1 3.86Å; M134-V329 HydrophobicContact CE-CG2 3.58Å; M134-V329 HydrophobicContact SD-CB 4.21Å; M134-V329 HydrophobicContact SD-CG1 4.21Å; M134-V329 HydrophobicContact SD-CG2 4.45Å; M134-I332 HydrophobicContact SD-CG2 4.3Å
135D96.6Very high97Very high6 Ų635.7 Ų35.73%0.03219%0.187CC..SBendtrans40.360.3177.8-69-45000115.2H137 N151 L152 R153 A154 T286 H287D135-H137 PolarHBondContact O-N 3.15Å; D135-N151 PolarHBondContact N-OD1 3.48Å; D135-L152 PolarHBondContact N-O 3.23Å; D135-R153 WeakPolarHBondContact OD1-CD 3.44Å; D135-R153 IonicContact OD1-CZ 3.72Å; D135-R153 IonicContact OD1-NE 3.64Å; D135-R153 IonicContact OD1-NH1 3.8Å; D135-R153 PolarHBondContact OD1-NH1 3.04Å; D135-A154 VanDerWaalsContact OD2-CB 3.31Å; D135-A154 WeakPolarHBondContact OD2-CB 3.47Å; D135-A154 PolarHBondContact OD2-N 3.32Å; D135-T286 HydrophobicContact CB-CG2 3.89Å; D135-T286 WeakPolarHBondContact OD2-CG2 3.33Å; D135-T286 PolarHBondContact OD2-OG1 3.32Å; D135-H287 PolarHBondContact O-NE2 2.78Å
136L97Very high96.8Very high9 Ų934.4 Ų34.45%0.04719%0.188CC..  trans-47132.9169.9-73.8172.1000111.7F100 T133 M134 Q138 I141 Q142 I149 N151F100-L136 HydrophobicContact CB-CD2 3.65Å; F100-L136 HydrophobicContact CD1-CD2 4.42Å; F100-L136 HydrophobicContact CG-CD2 4.08Å; T133-L136 HydrophobicContact CG2-CD1 3.98Å; T133-L136 HydrophobicContact CG2-CD2 3.83Å; T133-L136 HydrophobicContact CG2-CG 3.66Å; M134-L136 PolarHBondContact O-N 2.81Å; L136-Q138 PolarHBondContact O-N 2.85Å; L136-I141 HydrophobicContact CD1-CB 4.18Å; L136-I141 HydrophobicContact CD1-CG2 4.24Å; L136-I141 HydrophobicContact CD2-CB 4.5Å; L136-I141 HydrophobicContact CD2-CG2 4.07Å; L136-Q142 HydrophobicContact CD1-CG 3.62Å; L136-I149 HydrophobicContact CD1-CD1 3.99Å; L136-N151 HydrophobicContact CD1-CB 4.04Å; L136-N151 HydrophobicContact CG-CB 4.46Å; L136-N151 WeakPolarHBondContact CG-OD1 3.31Å; L136-N151 PolarHBondContact N-OD1 3.05Å
137H94.9Very high96.7Very high44 Ų4435.1 Ų35.120%0.20419%0.189CC..SBendtrans-48.3-37.6-178.5-177.459.7000113.5D135 I141 D258 I259D135-H137 PolarHBondContact O-N 3.15Å; H137-I141 HydrophobicContact CB-CD1 4.37Å; H137-D258 WeakPolarHBondContact CA-OD2 3.45Å; H137-D258 IonicContact CE1-OD2 3.76Å; H137-D258 IonicContact CG-OD2 3.88Å; H137-D258 IonicContact ND1-OD1 3.32Å; H137-D258 IonicContact ND1-OD2 2.79Å; H137-D258 PolarHBondContact ND1-OD2 2.93Å; H137-I259 HydrophobicContact CB-CD1 4.27Å
138Q92.9Very high96.7Very high45 Ų4538.7 Ų38.721%0.2121%0.21CC..SBendtrans-133.8130.2168.3-61.1-71-83.300108C106 L136 E140 I141C106-Q138 VanDerWaalsContact SG-CG 3.54Å; L136-Q138 PolarHBondContact O-N 2.85Å; Q138-E140 WeakPolarHBondContact CB-OE2 3.28Å; Q138-E140 PolarHBondContact O-N 3.27Å; Q138-E140 VanDerWaalsContact O-N 3.14Å; Q138-I141 HydrophobicContact CB-CD1 4.23Å; Q138-I141 HydrophobicContact CB-CG1 4.23Å; Q138-I141 VanDerWaalsContact O-CB 3.28Å; Q138-I141 WeakPolarHBondContact O-CB 3.29Å; Q138-I141 WeakPolarHBondContact O-CD1 3.33Å; Q138-I141 VanDerWaalsContact O-CG1 3.24Å; Q138-I141 WeakPolarHBondContact O-CG1 3.45Å; Q138-I141 PolarHBondContact O-N 3.03Å
139K92.1Very high96.6Very high69 Ų6939.4 Ų39.430%0.321%0.214SC..G310 helixtrans-61.3-25.3-177.961.5-179.4168.1-171.70113.1I141 Q142 V355 D356K139-I141 PolarHBondContact O-N 3.48Å; K139-Q142 WeakPolarHBondContact O-CB 3.32Å; K139-Q142 VanDerWaalsContact O-CG 3.31Å; K139-Q142 WeakPolarHBondContact O-CG 3.3Å; K139-Q142 PolarHBondContact O-N 2.76Å; K139-Q142 PolarHBondContact O-NE2 3.15Å; K139-V355 PolarHBondContact NZ-O 3.04Å; K139-D356 IonicContact NZ-OD1 2.86Å; K139-D356 PolarHBondContact NZ-OD1 2.73Å
140E94.6Very high96.5Very high111 Ų11138.3 Ų38.352%0.51921%0.207SC..G310 helixtrans-66.3-18.5178-61.274.1-162.300112.8Q138 Q142 G143Q138-E140 WeakPolarHBondContact CB-OE2 3.28Å; Q138-E140 PolarHBondContact O-N 3.27Å; Q138-E140 VanDerWaalsContact O-N 3.14Å; E140-Q142 PolarHBondContact O-N 3.23Å; E140-Q142 VanDerWaalsContact O-N 3.11Å; E140-G143 PolarHBondContact O-N 3.16Å
141I96.8Very high96.4Very high2 Ų237.2 Ų37.21%0.0120%0.202CC..G310 helixtrans-56.4-26.9173.8-67.1168000110.9C106 L136 H137 Q138 K139 G143 F144 F145C106-I141 HydrophobicContact CB-CD1 3.72Å; C106-I141 HydrophobicContact CB-CG1 3.67Å; L136-I141 HydrophobicContact CD1-CB 4.18Å; L136-I141 HydrophobicContact CD1-CG2 4.24Å; L136-I141 HydrophobicContact CD2-CB 4.5Å; L136-I141 HydrophobicContact CD2-CG2 4.07Å; H137-I141 HydrophobicContact CB-CD1 4.37Å; Q138-I141 HydrophobicContact CB-CD1 4.23Å; Q138-I141 HydrophobicContact CB-CG1 4.23Å; Q138-I141 VanDerWaalsContact O-CB 3.28Å; Q138-I141 WeakPolarHBondContact O-CB 3.29Å; Q138-I141 WeakPolarHBondContact O-CD1 3.33Å; Q138-I141 VanDerWaalsContact O-CG1 3.24Å; Q138-I141 WeakPolarHBondContact O-CG1 3.45Å; Q138-I141 PolarHBondContact O-N 3.03Å; K139-I141 PolarHBondContact O-N 3.48Å; I141-G143 PolarHBondContact O-N 3.25Å; I141-F144 HydrophobicContact CB-CD2 4.39Å; I141-F144 HydrophobicContact CG1-CD2 4.44Å; I141-F144 HydrophobicContact CG1-CE2 4.13Å; I141-F144 HydrophobicContact CG2-CD2 4.05Å; I141-F144 VanDerWaalsContact O-CB 3.24Å; I141-F144 WeakPolarHBondContact O-CB 3.37Å; I141-F144 PolarHBondContact O-N 3Å; I141-F145 HydrophobicContact CG2-CE2 4.13Å
142Q96.4Very high96.3Very high71 Ų7137.2 Ų37.233%0.33220%0.202SC..G310 helixtrans-55.6-35174.1-66.4177.376.500112.4L136 K139 E140 F144 F145 I149 N151L136-Q142 HydrophobicContact CD1-CG 3.62Å; K139-Q142 WeakPolarHBondContact O-CB 3.32Å; K139-Q142 VanDerWaalsContact O-CG 3.31Å; K139-Q142 WeakPolarHBondContact O-CG 3.3Å; K139-Q142 PolarHBondContact O-N 2.76Å; K139-Q142 PolarHBondContact O-NE2 3.15Å; E140-Q142 PolarHBondContact O-N 3.23Å; E140-Q142 VanDerWaalsContact O-N 3.11Å; Q142-F144 PolarHBondContact O-N 3.09Å; Q142-F145 PolarHBondContact O-N 3.49Å; Q142-I149 HydrophobicContact CB-CG2 3.6Å; Q142-I149 HydrophobicContact CG-CD1 4.44Å; Q142-I149 HydrophobicContact CG-CG2 3.65Å; Q142-N151 HydrophobicContact CG-CB 4.24Å
143G97.2Very high96.2Very high62 Ų6238.2 Ų38.264%0.63921%0.206SC*.G310 helixtrans-72.6-3.8176.300000114.6E140 I141E140-G143 PolarHBondContact O-N 3.16Å; I141-G143 PolarHBondContact O-N 3.25Å
144F97.6Very high96Very high42 Ų4238.2 Ų38.218%0.18421%0.206CC..G310 helixtrans-77.8-24.1174.6-66.8-7.6000112.6C106 I114 C116 K117 A120 I141 Q142C106-F144 HydrophobicContact CB-CE2 4.04Å; C106-F144 HydrophobicContact CB-CZ 4.43Å; I114-F144 HydrophobicContact CG2-CE2 3.86Å; I114-F144 HydrophobicContact CG2-CZ 3.91Å; C116-F144 HydrophobicContact CB-CD2 4.27Å; C116-F144 HydrophobicContact CB-CE2 4.02Å; K117-F144 HydrophobicContact CB-CD2 3.98Å; K117-F144 HydrophobicContact CB-CE2 4.26Å; K117-F144 HydrophobicContact CB-CG 4.16Å; K117-F144 HydrophobicContact CD-CB 3.7Å; K117-F144 HydrophobicContact CD-CD1 4.16Å; K117-F144 HydrophobicContact CD-CG 3.9Å; K117-F144 PolarHBondContact NZ-O 3.33Å; A120-F144 HydrophobicContact CB-CB 4.01Å; I141-F144 HydrophobicContact CB-CD2 4.39Å; I141-F144 HydrophobicContact CG1-CD2 4.44Å; I141-F144 HydrophobicContact CG1-CE2 4.13Å; I141-F144 HydrophobicContact CG2-CD2 4.05Å; I141-F144 VanDerWaalsContact O-CB 3.24Å; I141-F144 WeakPolarHBondContact O-CB 3.37Å; I141-F144 PolarHBondContact O-N 3Å; Q142-F144 PolarHBondContact O-N 3.09Å
145F97.3Very high95.9Very high19 Ų1938.3 Ų38.38%0.08321%0.206CC..  trans-88.4149-179.3-57.1-86.9000111.1F100 A120 L123 I131 I141 Q142 F147 I149F100-F145 HydrophobicContact CD2-CZ 4.48Å; F100-F145 HydrophobicContact CE1-CZ 4.11Å; F100-F145 HydrophobicContact CE2-CE1 4.21Å; F100-F145 AromaticContact CE2-CZ 3.66Å; F100-F145 HydrophobicContact CE2-CZ 3.66Å; F100-F145 HydrophobicContact CZ-CE1 4.04Å; F100-F145 AromaticContact CZ-CZ 3.45Å; F100-F145 HydrophobicContact CZ-CZ 3.45Å; F100-F145 VanDerWaalsContact CZ-CZ 3.45Å; A120-F145 HydrophobicContact CB-CD1 3.66Å; A120-F145 HydrophobicContact CB-CE1 3.38Å; A120-F145 HydrophobicContact CB-CE2 4.28Å; A120-F145 HydrophobicContact CB-CG 4.24Å; A120-F145 HydrophobicContact CB-CZ 3.74Å; L123-F145 HydrophobicContact CD1-CE1 4.41Å; I131-F145 HydrophobicContact CD1-CD1 3.81Å; I131-F145 HydrophobicContact CD1-CE1 3.26Å; I131-F145 HydrophobicContact CD1-CZ 3.8Å; I141-F145 HydrophobicContact CG2-CE2 4.13Å; Q142-F145 PolarHBondContact O-N 3.49Å; F145-F147 HydrophobicContact CB-CD2 4.43Å; F145-F147 HydrophobicContact CB-CE2 4.28Å; F145-F147 HydrophobicContact CB-CZ 4.38Å; F145-F147 HydrophobicContact CD1-CE1 4.02Å; F145-F147 AromaticContact CD1-CE2 3.84Å; F145-F147 HydrophobicContact CD1-CE2 3.84Å; F145-F147 AromaticContact CD1-CZ 3.43Å; F145-F147 HydrophobicContact CD1-CZ 3.43Å; F145-F147 VanDerWaalsContact CD1-CZ 3.43Å; F145-F147 HydrophobicContact CE1-CZ 4.11Å; F145-F147 HydrophobicContact CG-CE2 4.29Å; F145-F147 HydrophobicContact CG-CZ 4.26Å; F145-I149 HydrophobicContact CD2-CD1 3.81Å; F145-I149 HydrophobicContact CE2-CD1 3.57Å; F145-I149 HydrophobicContact CZ-CD1 4.24Å
146N94.4Very high95.8Very high137 Ų13739.8 Ų39.873%0.73322%0.216SC*.SBendtrans-100.311.5173.164.8-20.4000112.2A124A124-N146 WeakPolarHBondContact CB-OD1 3.4Å
147F96.8Very high95.7Very high27 Ų2741.3 Ų41.312%0.11822%0.222CC..SBendtrans-136.7163178.859.1-108.3000109.2A124 L128 T129 I131 F145A124-F147 HydrophobicContact CB-CD1 4.03Å; A124-F147 HydrophobicContact CB-CE1 3.64Å; L128-F147 HydrophobicContact CB-CE1 4.35Å; L128-F147 HydrophobicContact CB-CZ 4.05Å; T129-F147 WeakPolarHBondContact O-CB 3.34Å; I131-F147 HydrophobicContact CB-CE2 4.15Å; I131-F147 HydrophobicContact CD1-CE2 3.65Å; I131-F147 HydrophobicContact CD1-CZ 3.59Å; I131-F147 HydrophobicContact CG1-CE2 3.67Å; I131-F147 HydrophobicContact CG1-CZ 4.01Å; F145-F147 HydrophobicContact CB-CD2 4.43Å; F145-F147 HydrophobicContact CB-CE2 4.28Å; F145-F147 HydrophobicContact CB-CZ 4.38Å; F145-F147 HydrophobicContact CD1-CE1 4.02Å; F145-F147 AromaticContact CD1-CE2 3.84Å; F145-F147 HydrophobicContact CD1-CE2 3.84Å; F145-F147 AromaticContact CD1-CZ 3.43Å; F145-F147 HydrophobicContact CD1-CZ 3.43Å; F145-F147 VanDerWaalsContact CD1-CZ 3.43Å; F145-F147 HydrophobicContact CE1-CZ 4.11Å; F145-F147 HydrophobicContact CG-CE2 4.29Å; F145-F147 HydrophobicContact CG-CZ 4.26Å
148P96.9Very high95.9Very high82 Ų8239.2 Ų39.253%0.53221%0.213SC..  trans-58.8146.4-176.2-25.435.9000113.6H130 I131H130-P148 WeakPolarHBondContact CA-O 3.35Å; H130-P148 VanDerWaalsContact CD2-C 3.46Å; H130-P148 PolarHBondContact CD2-O 2.96Å; I131-P148 PolarHBondContact N-O 3.01Å
149I96.9Very high96Very high22 Ų2237.5 Ų37.511%0.11321%0.205CC..EExtended strand (participates in β ladder)trans-137.6129.3175.4-178.4165.5000109.6I131 T133 L136 Q142 F145I131-I149 HydrophobicContact CB-CD1 4.29Å; I131-I149 HydrophobicContact CB-CG1 4.14Å; I131-I149 HydrophobicContact CG2-CD1 3.97Å; I131-I149 HydrophobicContact CG2-CG1 4.05Å; I131-I149 CarbonylContact O-C 3.57Å; I131-I149 VanDerWaalsContact O-CA 3.32Å; I131-I149 WeakPolarHBondContact O-CA 3.38Å; T133-I149 HydrophobicContact CG2-CD1 3.96Å; T133-I149 HydrophobicContact CG2-CG1 4.22Å; L136-I149 HydrophobicContact CD1-CD1 3.99Å; Q142-I149 HydrophobicContact CB-CG2 3.6Å; Q142-I149 HydrophobicContact CG-CD1 4.44Å; Q142-I149 HydrophobicContact CG-CG2 3.65Å; F145-I149 HydrophobicContact CD2-CD1 3.81Å; F145-I149 HydrophobicContact CE2-CD1 3.57Å; F145-I149 HydrophobicContact CZ-CD1 4.24Å
150D96.8Very high96.2Very high27 Ų2738.4 Ų38.414%0.14421%0.21CC..EExtended strand (participates in β ladder)trans-99.9102.1170.6-76.9-55.5000108.5H130 I131 T133 L152 I340 M346H130-D150 IonicContact CE1-OD2 3.01Å; H130-D150 PolarHBondContact CE1-OD2 3.08Å; H130-D150 IonicContact NE2-OD2 3.91Å; H130-D150 PolarHBondContact NE2-OD2 3.3Å; I131-D150 PolarHBondContact O-N 2.94Å; T133-D150 PolarHBondContact N-O 3.35Å; D150-L152 HydrophobicContact CB-CD2 4.45Å; D150-L152 PolarHBondContact O-N 3.5Å; D150-I340 WeakPolarHBondContact OD2-CD1 3.47Å; D150-M346 HydrophobicContact CB-CE 4.05Å
151N96.6Very high96.4Very high7 Ų734.9 Ų34.94%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-89.291.4172.5-179.940.9000109.8T133 D135 L136 Q142 F350T133-N151 HydrophobicContact CG2-CB 4.27Å; D135-N151 PolarHBondContact N-OD1 3.48Å; L136-N151 HydrophobicContact CD1-CB 4.04Å; L136-N151 HydrophobicContact CG-CB 4.46Å; L136-N151 WeakPolarHBondContact CG-OD1 3.31Å; L136-N151 PolarHBondContact N-OD1 3.05Å; Q142-N151 HydrophobicContact CG-CB 4.24Å; N151-F350 VanDerWaalsContact O-CE1 3.26Å; N151-F350 WeakPolarHBondContact O-CE1 3.34Å
152L96.3Very high96.4Very high0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-69.7171.9177.9-51.5-179.8000111.2I132 T133 M134 D135 D150 I332 L333 A336 M346 L349 F350I132-L152 HydrophobicContact CG2-CD1 3.54Å; I132-L152 HydrophobicContact CG2-CG 3.99Å; T133-L152 WeakPolarHBondContact O-CB 3.41Å; T133-L152 WeakPolarHBondContact O-CG 3.32Å; T133-L152 PolarHBondContact O-N 3.4Å; M134-L152 WeakPolarHBondContact CA-O 3.35Å; M134-L152 HydrophobicContact CB-CB 4.36Å; M134-L152 HydrophobicContact CG-CB 4.13Å; D135-L152 PolarHBondContact N-O 3.23Å; D150-L152 HydrophobicContact CB-CD2 4.45Å; D150-L152 PolarHBondContact O-N 3.5Å; L152-I332 HydrophobicContact CB-CD1 4.37Å; L152-I332 HydrophobicContact CD1-CG1 4.2Å; L152-L333 HydrophobicContact CD1-CD2 3.92Å; L152-A336 HydrophobicContact CD1-CB 3.7Å; L152-A336 HydrophobicContact CD2-CB 4.26Å; L152-M346 HydrophobicContact CD2-CE 3.68Å; L152-L349 HydrophobicContact CD2-CD1 4.07Å; L152-F350 HydrophobicContact CD2-CZ 4.06Å
153R94.8Very high96.5Very high21 Ų2135.6 Ų35.68%0.07920%0.196CC..  trans-130.4136.3-177.9-59.6-60.7-173.3157.99.8112.3D135 F350 I353 D357D135-R153 WeakPolarHBondContact OD1-CD 3.44Å; D135-R153 IonicContact OD1-CZ 3.72Å; D135-R153 IonicContact OD1-NE 3.64Å; D135-R153 IonicContact OD1-NH1 3.8Å; D135-R153 PolarHBondContact OD1-NH1 3.04Å; R153-F350 HydrophobicContact CG-CE1 4.43Å; R153-I353 HydrophobicContact CB-CD1 3.49Å; R153-I353 VanDerWaalsContact CB-CD1 3.49Å; R153-I353 HydrophobicContact CB-CG2 4.44Å; R153-I353 HydrophobicContact CG-CD1 3.57Å; R153-I353 HydrophobicContact CG-CG2 3.74Å; R153-D357 VanDerWaalsContact CZ-C 3.45Å; R153-D357 PolarHBondContact NH1-O 3.06Å; R153-D357 PolarHBondContact NH1-OXT 2.93Å; R153-D357 PolarHBondContact NH2-O 3.05Å
154A95.9Very high96.5Very high0 Ų038.7 Ų38.70%019%0.193CC..SBendtrans-86.8-15.3171.600000113.1M134 D135 P156 F157 L158 T286 T309M134-A154 HydrophobicContact CE-CB 3.96Å; M134-A154 HydrophobicContact CG-CB 4.44Å; M134-A154 HydrophobicContact SD-CB 3.83Å; D135-A154 VanDerWaalsContact OD2-CB 3.31Å; D135-A154 WeakPolarHBondContact OD2-CB 3.47Å; D135-A154 PolarHBondContact OD2-N 3.32Å; A154-P156 VanDerWaalsContact C-N 3.31Å; A154-P156 VanDerWaalsContact O-N 3.13Å; A154-F157 WeakPolarHBondContact O-CB 3.46Å; A154-F157 PolarHBondContact O-N 3.02Å; A154-L158 HydrophobicContact CB-CD1 4.22Å; A154-L158 HydrophobicContact CB-CG 4.45Å; A154-L158 PolarHBondContact O-N 3.28Å; A154-T286 HydrophobicContact CB-CG2 3.57Å; A154-T309 HydrophobicContact CB-CG2 3.73Å
155S95.2Very high96.5Very high1 Ų142.2 Ų42.21%0.00721%0.21CC..Hα-helixtrans-51.7-36.6-175.166.80000115.1F157 L158 I159 Y188 R191 D357S155-F157 VanDerWaalsContact C-N 3.33Å; S155-F157 PolarHBondContact O-N 3.43Å; S155-L158 PolarHBondContact O-N 2.97Å; S155-I159 VanDerWaalsContact O-CB 3.23Å; S155-I159 WeakPolarHBondContact O-CB 3.37Å; S155-I159 VanDerWaalsContact O-CG1 3.31Å; S155-I159 WeakPolarHBondContact O-CG1 3.25Å; S155-I159 PolarHBondContact O-N 3.42Å; S155-Y188 WeakPolarHBondContact CA-OH 3.39Å; S155-R191 PolarHBondContact OG-NH1 3.14Å; S155-D357 WeakPolarHBondContact CB-OD1 3.26Å; S155-D357 WeakPolarHBondContact CB-OD2 3.35Å; S155-D357 VanDerWaalsContact OG-CG 3.28Å; S155-D357 PolarHBondContact OG-OD2 3.49Å
156P94.2Very high96.5Very high38 Ų3841.6 Ų41.625%0.24721%0.208CC..Hα-helixtrans-62.1-38.6174.7-20.935.4000113.3A154 Q160 I353A154-P156 VanDerWaalsContact C-N 3.31Å; A154-P156 VanDerWaalsContact O-N 3.13Å; P156-Q160 WeakPolarHBondContact O-CB 3.33Å; P156-Q160 PolarHBondContact O-N 3.01Å; P156-I353 HydrophobicContact CG-CD1 3.97Å; P156-I353 HydrophobicContact CG-CG1 4.18Å
157F95.7Very high96.6Very high40 Ų4039.3 Ų39.318%0.17520%0.201CC..Hα-helixtrans-74.2-40.3179.9-66.3-100.2000111.4A154 S155 Q160 Y161 V327 L331 I332A154-F157 WeakPolarHBondContact O-CB 3.46Å; A154-F157 PolarHBondContact O-N 3.02Å; S155-F157 VanDerWaalsContact C-N 3.33Å; S155-F157 PolarHBondContact O-N 3.43Å; F157-Q160 PolarHBondContact O-N 3.18Å; F157-Y161 PolarHBondContact O-N 2.99Å; F157-V327 HydrophobicContact CB-CG1 3.73Å; F157-L331 HydrophobicContact CE1-CD2 4.38Å; F157-L331 HydrophobicContact CZ-CD2 4.47Å; F157-I332 HydrophobicContact CE2-CB 3.76Å; F157-I332 HydrophobicContact CE2-CD1 4.01Å; F157-I332 HydrophobicContact CE2-CG1 4.43Å; F157-I332 HydrophobicContact CE2-CG2 3.88Å; F157-I332 HydrophobicContact CZ-CB 3.86Å; F157-I332 HydrophobicContact CZ-CG2 4.13Å
158L97.5Very high96.5Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-69.3-37.8176.8-65.5175.7000112A154 S155 Y161 I162 Y188 V307 T309 V327A154-L158 HydrophobicContact CB-CD1 4.22Å; A154-L158 HydrophobicContact CB-CG 4.45Å; A154-L158 PolarHBondContact O-N 3.28Å; S155-L158 PolarHBondContact O-N 2.97Å; L158-Y161 WeakPolarHBondContact O-CB 3.32Å; L158-Y161 PolarHBondContact O-N 3.04Å; L158-I162 WeakPolarHBondContact O-CG1 3.14Å; L158-I162 PolarHBondContact O-N 2.83Å; L158-Y188 HydrophobicContact CB-CE1 4.11Å; L158-Y188 VanDerWaalsContact CD1-OH 3.3Å; L158-Y188 WeakPolarHBondContact CD1-OH 3.3Å; L158-V307 HydrophobicContact CD2-CG1 4.07Å; L158-T309 HydrophobicContact CD2-CG2 4.32Å; L158-V327 HydrophobicContact CD2-CB 4.44Å; L158-V327 HydrophobicContact CD2-CG2 4.17Å
159I96.6Very high96.5Very high9 Ų941.6 Ų41.65%0.04621%0.207CC..Hα-helixtrans-66.6-40.6173.8-77.3165.5000111.3S155 Y161 I162 Q163 Y188 R191 L192S155-I159 VanDerWaalsContact O-CB 3.23Å; S155-I159 WeakPolarHBondContact O-CB 3.37Å; S155-I159 VanDerWaalsContact O-CG1 3.31Å; S155-I159 WeakPolarHBondContact O-CG1 3.25Å; S155-I159 PolarHBondContact O-N 3.42Å; I159-Y161 VanDerWaalsContact C-N 3.31Å; I159-Y161 PolarHBondContact O-N 2.84Å; I159-I162 PolarHBondContact O-N 2.91Å; I159-Q163 WeakPolarHBondContact O-CG 3.5Å; I159-Q163 PolarHBondContact O-N 3.42Å; I159-Y188 HydrophobicContact CD1-CD1 4.2Å; I159-Y188 HydrophobicContact CD1-CE1 4.43Å; I159-Y188 HydrophobicContact CD1-CG 4.33Å; I159-Y188 HydrophobicContact CG1-CD1 3.78Å; I159-Y188 HydrophobicContact CG1-CE1 3.91Å; I159-Y188 HydrophobicContact CG1-CG 4.39Å; I159-R191 HydrophobicContact CD1-CB 3.93Å; I159-R191 HydrophobicContact CD1-CG 4.46Å; I159-L192 HydrophobicContact CG1-CD1 4.5Å; I159-L192 HydrophobicContact CG1-CG 4.46Å; I159-L192 HydrophobicContact CG2-CD2 3.84Å; I159-L192 HydrophobicContact CG2-CG 4.38Å
160Q96.1Very high96.6Very high89 Ų8947.8 Ų47.842%0.41623%0.229SC..Hα-helixtrans-59.5-45173.4-177.7178.4-3.500110.6P156 F157 I162 Q163 E164P156-Q160 WeakPolarHBondContact O-CB 3.33Å; P156-Q160 PolarHBondContact O-N 3.01Å; F157-Q160 PolarHBondContact O-N 3.18Å; Q160-I162 PolarHBondContact O-N 2.86Å; Q160-Q163 PolarHBondContact O-N 2.9Å; Q160-Q163 VanDerWaalsContact O-N 3.08Å; Q160-E164 VanDerWaalsContact CG-CD 3.43Å; Q160-E164 HydrophobicContact CG-CG 4.22Å; Q160-E164 VanDerWaalsContact CG-OE1 3.28Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.41Å; Q160-E164 PolarHBondContact NE2-OE1 3.04Å; Q160-E164 PolarHBondContact NE2-OE2 2.95Å; Q160-E164 WeakPolarHBondContact O-CB 3.38Å; Q160-E164 WeakPolarHBondContact O-CG 3.41Å; Q160-E164 PolarHBondContact O-N 2.97Å
161Y98.1Very high96.6Very high37 Ų3749.8 Ų49.815%0.14524%0.24CC..Hα-helixtrans-56.7-46.6174.8-171.1-85.5000112.3F157 L158 I159 Q163 E164 E165 M284 E305 V307 V327F157-Y161 PolarHBondContact O-N 2.99Å; L158-Y161 WeakPolarHBondContact O-CB 3.32Å; L158-Y161 PolarHBondContact O-N 3.04Å; I159-Y161 VanDerWaalsContact C-N 3.31Å; I159-Y161 PolarHBondContact O-N 2.84Å; Y161-Q163 VanDerWaalsContact C-N 3.26Å; Y161-Q163 PolarHBondContact O-N 2.86Å; Y161-E164 PolarHBondContact O-N 3.22Å; Y161-E165 HydrophobicContact CD1-CB 4.18Å; Y161-E165 HydrophobicContact CD2-CB 4.29Å; Y161-E165 HydrophobicContact CD2-CG 3.86Å; Y161-E165 HydrophobicContact CE1-CB 3.86Å; Y161-E165 HydrophobicContact CE1-CG 4.43Å; Y161-E165 HydrophobicContact CE2-CB 4Å; Y161-E165 HydrophobicContact CE2-CG 3.67Å; Y161-E165 HydrophobicContact CG-CB 4.38Å; Y161-E165 HydrophobicContact CG-CG 4.32Å; Y161-E165 WeakPolarHBondContact O-CB 3.34Å; Y161-E165 PolarHBondContact O-N 2.55Å; Y161-M284 HydrophobicContact CD1-CE 4.14Å; Y161-M284 HydrophobicContact CE1-CE 4.47Å; Y161-E305 PolarHBondContact OH-OE1 3.13Å; Y161-E305 VanDerWaalsContact OH-OE1 3.04Å; Y161-V307 HydrophobicContact CD1-CB 4.41Å; Y161-V307 HydrophobicContact CD1-CG1 3.82Å; Y161-V307 HydrophobicContact CD1-CG2 3.87Å; Y161-V307 HydrophobicContact CD2-CG1 4.29Å; Y161-V307 HydrophobicContact CE1-CB 4.26Å; Y161-V307 HydrophobicContact CE1-CG1 3.92Å; Y161-V307 HydrophobicContact CE1-CG2 3.34Å; Y161-V307 HydrophobicContact CE2-CG1 4.38Å; Y161-V307 HydrophobicContact CG-CG1 4.02Å; Y161-V327 HydrophobicContact CD2-CG2 3.72Å; Y161-V327 HydrophobicContact CE2-CG2 4.4Å; Y161-V327 HydrophobicContact CG-CG2 4.1Å
162I98.1Very high96.7Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-57.6-40.2176.3-68.5165000111.5L158 I159 Q160 I166 Y169 Y188 L192 I254 M284L158-I162 WeakPolarHBondContact O-CG1 3.14Å; L158-I162 PolarHBondContact O-N 2.83Å; I159-I162 PolarHBondContact O-N 2.91Å; Q160-I162 PolarHBondContact O-N 2.86Å; I162-I166 HydrophobicContact CB-CD1 4.29Å; I162-I166 HydrophobicContact CG1-CD1 3.99Å; I162-I166 HydrophobicContact CG2-CD1 4.27Å; I162-I166 WeakPolarHBondContact O-CB 3.47Å; I162-Y169 HydrophobicContact CG2-CD2 4.13Å; I162-Y169 HydrophobicContact CG2-CG 4.23Å; I162-Y188 HydrophobicContact CD1-CD1 4.15Å; I162-Y188 HydrophobicContact CD1-CE1 4.4Å; I162-L192 HydrophobicContact CD1-CD1 3.88Å; I162-L192 HydrophobicContact CG2-CD1 3.97Å; I162-L192 HydrophobicContact CG2-CD2 4.19Å; I162-I254 HydrophobicContact CD1-CD1 4.5Å; I162-I254 HydrophobicContact CD1-CG2 4.23Å; I162-I254 HydrophobicContact CG1-CD1 4.44Å; I162-I254 HydrophobicContact CG2-CD1 3.91Å; I162-M284 HydrophobicContact CD1-CE 4.46Å; I162-M284 HydrophobicContact CD1-CG 4.11Å; I162-M284 HydrophobicContact CD1-SD 4.25Å; I162-M284 HydrophobicContact CG1-CE 3.76Å; I162-M284 HydrophobicContact CG1-CG 4.39Å; I162-M284 HydrophobicContact CG1-SD 3.97Å
163Q97.5Very high96.8Very high88 Ų8849.6 Ų49.641%0.41124%0.239SC..Hα-helixtrans-76-33.3-176.8-70.3176.1-23.100113.4I159 Q160 Y161 Y169 L192I159-Q163 WeakPolarHBondContact O-CG 3.5Å; I159-Q163 PolarHBondContact O-N 3.42Å; Q160-Q163 PolarHBondContact O-N 2.9Å; Q160-Q163 VanDerWaalsContact O-N 3.08Å; Y161-Q163 VanDerWaalsContact C-N 3.26Å; Y161-Q163 PolarHBondContact O-N 2.86Å; Q163-Y169 HydrophobicContact CB-CE1 4.42Å; Q163-Y169 HydrophobicContact CG-CE1 4.4Å; Q163-Y169 HydrophobicContact CG-CE2 4.04Å; Q163-L192 HydrophobicContact CG-CD2 3.86Å
164E97.3Very high97Very high126 Ų12648.6 Ų48.659%0.58924%0.235SC*.Hα-helixtrans-92.8-38.7-174-68.8177176.500112.5Q160 Y161Q160-E164 VanDerWaalsContact CG-CD 3.43Å; Q160-E164 HydrophobicContact CG-CG 4.22Å; Q160-E164 VanDerWaalsContact CG-OE1 3.28Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.41Å; Q160-E164 PolarHBondContact NE2-OE1 3.04Å; Q160-E164 PolarHBondContact NE2-OE2 2.95Å; Q160-E164 WeakPolarHBondContact O-CB 3.38Å; Q160-E164 WeakPolarHBondContact O-CG 3.41Å; Q160-E164 PolarHBondContact O-N 2.97Å; Y161-E164 PolarHBondContact O-N 3.22Å
165E97.6Very high97.1Very high116 Ų11648.6 Ų48.654%0.54224%0.235SC..Hα-helixtrans-108.5-23-167.3-60.8-66.2144.600113.8Y161 P167Y161-E165 HydrophobicContact CD1-CB 4.18Å; Y161-E165 HydrophobicContact CD2-CB 4.29Å; Y161-E165 HydrophobicContact CD2-CG 3.86Å; Y161-E165 HydrophobicContact CE1-CB 3.86Å; Y161-E165 HydrophobicContact CE1-CG 4.43Å; Y161-E165 HydrophobicContact CE2-CB 4Å; Y161-E165 HydrophobicContact CE2-CG 3.67Å; Y161-E165 HydrophobicContact CG-CB 4.38Å; Y161-E165 HydrophobicContact CG-CG 4.32Å; Y161-E165 WeakPolarHBondContact O-CB 3.34Å; Y161-E165 PolarHBondContact O-N 2.55Å; E165-P167 VanDerWaalsContact O-CD 3.3Å; E165-P167 WeakPolarHBondContact O-CD 3.24Å
166I97.4Very high97.1Very high6 Ų648.6 Ų48.63%0.03124%0.235CC..SBendtrans-90.2114178.1-57.3-176.6000110.3I162 I252 I254 Y282 M284I162-I166 HydrophobicContact CB-CD1 4.29Å; I162-I166 HydrophobicContact CG1-CD1 3.99Å; I162-I166 HydrophobicContact CG2-CD1 4.27Å; I162-I166 WeakPolarHBondContact O-CB 3.47Å; I166-I252 HydrophobicContact CG2-CD1 4.18Å; I166-I254 HydrophobicContact CD1-CD1 3.96Å; I166-I254 HydrophobicContact CD1-CG1 4.49Å; I166-Y282 HydrophobicContact CD1-CD1 3.7Å; I166-Y282 HydrophobicContact CD1-CD2 4.28Å; I166-Y282 HydrophobicContact CD1-CE1 4.04Å; I166-Y282 HydrophobicContact CD1-CG 3.86Å; I166-Y282 HydrophobicContact CG1-CD1 4.08Å; I166-Y282 HydrophobicContact CG1-CE1 3.93Å; I166-Y282 HydrophobicContact CG2-CD2 4.48Å; I166-Y282 HydrophobicContact CG2-CE1 4.41Å; I166-Y282 HydrophobicContact CG2-CE2 3.95Å; I166-M284 HydrophobicContact CD1-CE 3.57Å
167P95.4Very high97.1Very high89 Ų8948.6 Ų48.658%0.57823%0.231SC*.THydrogen-bonded Turntrans-62.7141.2174.7-18.432.6000110.5E165 Y169 I252E165-P167 VanDerWaalsContact O-CD 3.3Å; E165-P167 WeakPolarHBondContact O-CD 3.24Å; P167-Y169 PolarHBondContact O-N 3.17Å; P167-Y169 VanDerWaalsContact O-N 3.11Å; P167-I252 WeakPolarHBondContact O-CD1 3.3Å
168D95.6Very high96.8Very high121 Ų12148 Ų4865%0.64723%0.232SC*.THydrogen-bonded Turntrans52.732.6177.5-63.4-26.9000114.7R170 N171D168-R170 PolarHBondContact O-N 3.07Å; D168-N171 PolarHBondContact O-N 3.33Å
169Y97.5Very high96.4Very high36 Ų3651.8 Ų51.814%0.14126%0.257CS..G310 helixtrans-54.6-21.517882.9-89.9000113.4I162 Q163 P167 N171 A172 L192I162-Y169 HydrophobicContact CG2-CD2 4.13Å; I162-Y169 HydrophobicContact CG2-CG 4.23Å; Q163-Y169 HydrophobicContact CB-CE1 4.42Å; Q163-Y169 HydrophobicContact CG-CE1 4.4Å; Q163-Y169 HydrophobicContact CG-CE2 4.04Å; P167-Y169 PolarHBondContact O-N 3.17Å; P167-Y169 VanDerWaalsContact O-N 3.11Å; Y169-N171 PolarHBondContact O-N 3.18Å; Y169-A172 WeakPolarHBondContact O-CB 3.49Å; Y169-A172 PolarHBondContact O-N 3.33Å; Y169-L192 HydrophobicContact CD2-CD2 4.35Å; Y169-L192 HydrophobicContact CE2-CD2 4.13Å
170R97.6Very high96Very high152 Ų15256 Ų5657%0.57429%0.287SS*.G310 helixtrans-66.2-24.2174.1-67.4-65.9-172.5170.2-0.5113.7D168 A172 L192D168-R170 PolarHBondContact O-N 3.07Å; R170-A172 VanDerWaalsContact C-N 3.27Å; R170-L192 PolarHBondContact NH1-O 3.16Å
171N97.4Very high95.7Very high70 Ų7051.9 Ų51.937%0.37427%0.268SS..G310 helixtrans-90.613.4171-169.935.3000112D168 Y169 G250 R251 I252D168-N171 PolarHBondContact O-N 3.33Å; Y169-N171 PolarHBondContact O-N 3.18Å; N171-G250 PolarHBondContact ND2-O 3.32Å; N171-R251 WeakPolarHBondContact O-CA 3.4Å; N171-R251 VanDerWaalsContact O-CB 3.24Å; N171-R251 WeakPolarHBondContact O-CB 3.39Å; N171-I252 PolarHBondContact O-N 2.71Å
172A98.4Very high95.4Very high1 Ų151.1 Ų51.11%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-87.3161.5177.500000112.9Y169 R170 L194 I252 I254Y169-A172 WeakPolarHBondContact O-CB 3.49Å; Y169-A172 PolarHBondContact O-N 3.33Å; R170-A172 VanDerWaalsContact C-N 3.27Å; A172-L194 HydrophobicContact CB-CD1 4.08Å; A172-I252 CarbonylContact C-O 3.57Å; A172-I252 WeakPolarHBondContact CA-O 3.24Å; A172-I252 HydrophobicContact CB-CB 3.82Å; A172-I252 HydrophobicContact CB-CG2 4.24Å; A172-I252 WeakPolarHBondContact CB-O 3.44Å; A172-I254 HydrophobicContact CB-CD1 3.69Å; A172-I254 HydrophobicContact CB-CG1 4.08Å
173V98.4Very high95.2Very high2 Ų257.4 Ų57.41%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-124.4132.2167.859.10000108V175 A197 V248 R251 I252 A253 I254V173-V175 HydrophobicContact CG1-CG2 4.32Å; V173-A197 HydrophobicContact CG2-CB 4.03Å; V173-V248 HydrophobicContact CG1-CB 4.2Å; V173-V248 HydrophobicContact CG1-CG1 3.95Å; V173-R251 HydrophobicContact CG1-CB 4.25Å; V173-I252 PolarHBondContact N-O 3.39Å; V173-A253 HydrophobicContact CG1-CB 4.49Å; V173-I254 PolarHBondContact O-N 2.79Å
174I98.5Very high95Very high0 Ų054.5 Ų54.50%028%0.282CS..EExtended strand (participates in β ladder)trans-80.4132.6175.1-55-53.9000108.3A185 A189 L192 L194 G195 L196 A197 I254 V256I174-A185 HydrophobicContact CG2-CB 3.94Å; I174-A185 WeakPolarHBondContact CG2-O 3.35Å; I174-A189 HydrophobicContact CB-CB 4.1Å; I174-A189 HydrophobicContact CG1-CB 4.02Å; I174-L192 HydrophobicContact CD1-CD1 3.86Å; I174-L194 HydrophobicContact CD1-CD1 3.96Å; I174-L194 HydrophobicContact CG1-CB 4.29Å; I174-L194 HydrophobicContact CG1-CD1 4.24Å; I174-G195 PolarHBondContact N-O 3.42Å; I174-L196 CarbonylContact O-C 3.51Å; I174-L196 WeakPolarHBondContact O-CA 3.28Å; I174-A197 PolarHBondContact O-N 2.78Å; I174-I254 CarbonylContact C-O 3.59Å; I174-I254 WeakPolarHBondContact CA-O 3.27Å; I174-I254 HydrophobicContact CD1-CB 3.97Å; I174-I254 HydrophobicContact CD1-CD1 4.2Å; I174-I254 HydrophobicContact CD1-CG2 4.34Å; I174-V256 HydrophobicContact CG2-CB 4.39Å; I174-V256 HydrophobicContact CG2-CG2 3.7Å
175V98.2Very high94.9Very high0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-117.7128.5-175.6-173.10000110.2V173 A197 M199 A253 I254 I255 V256 L273V173-V175 HydrophobicContact CG1-CG2 4.32Å; V175-A197 CarbonylContact C-O 3.56Å; V175-A197 VanDerWaalsContact CA-O 3.31Å; V175-A197 WeakPolarHBondContact CA-O 3.41Å; V175-A197 HydrophobicContact CG2-CB 4.31Å; V175-M199 HydrophobicContact CG1-CG 3.84Å; V175-M199 HydrophobicContact CG1-SD 4.06Å; V175-A253 HydrophobicContact CG2-CB 3.96Å; V175-I254 PolarHBondContact N-O 3.33Å; V175-I255 HydrophobicContact CB-CG1 4.13Å; V175-I255 HydrophobicContact CG1-CG1 4.38Å; V175-I255 VanDerWaalsContact O-CA 3.31Å; V175-I255 WeakPolarHBondContact O-CA 3.31Å; V175-V256 PolarHBondContact O-N 3.16Å; V175-L273 HydrophobicContact CG1-CD1 4.26Å; V175-L273 HydrophobicContact CG1-CD2 4.16Å; V175-L273 HydrophobicContact CG2-CD1 4.36Å; V175-L273 HydrophobicContact CG2-CD2 4.03Å
176A96.8Very high94.9Very high0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-89.5124.2166.700000110S178 A181 A182 A185 A197 V198 M199A176-S178 PolarHBondContact O-N 3.26Å; A176-A181 HydrophobicContact CB-CB 4.31Å; A176-A182 HydrophobicContact CB-CB 4.33Å; A176-A185 HydrophobicContact CB-CB 3.62Å; A176-A197 PolarHBondContact N-O 2.88Å; A176-V198 HydrophobicContact CB-CB 4.43Å; A176-V198 HydrophobicContact CB-CG1 4.2Å; A176-V198 HydrophobicContact CB-CG2 4.16Å; A176-M199 WeakPolarHBondContact O-CB 3.35Å; A176-M199 WeakPolarHBondContact O-CG 3.43Å; A176-M199 PolarHBondContact O-N 3.36Å
177K92.4Very high94.8Very high38 Ų3847.2 Ų47.217%0.16525%0.249CC..SBendtrans-59.7-27.4177-170.5-177.677.875.10113.1M199 I255 D257 D265 F266K177-M199 WeakPolarHBondContact O-CB 3.27Å; K177-I255 HydrophobicContact CB-CG2 4.13Å; K177-D257 WeakPolarHBondContact CE-OD2 3.07Å; K177-D265 HydrophobicContact CD-CB 4.05Å; K177-D265 IonicContact NZ-OD2 2.88Å; K177-D265 PolarHBondContact NZ-OD2 3.5Å; K177-F266 HydrophobicContact CD-CD1 3.76Å; K177-F266 HydrophobicContact CD-CD2 3.79Å; K177-F266 HydrophobicContact CD-CE1 3.66Å; K177-F266 HydrophobicContact CD-CE2 3.69Å; K177-F266 HydrophobicContact CD-CG 3.84Å; K177-F266 HydrophobicContact CD-CZ 3.63Å
178S90.3Very high94.8Very high27 Ų2743.2 Ų43.219%0.18922%0.222CC..SBendtrans-154.1166.3-18068.60000110.9A176 S180 A181 A182 M199A176-S178 PolarHBondContact O-N 3.26Å; S178-S180 PolarHBondContact O-N 3.43Å; S178-S180 VanDerWaalsContact O-N 3.15Å; S178-S180 PolarHBondContact OG-OG 2.71Å; S178-A181 PolarHBondContact O-N 3.08Å; S178-A182 PolarHBondContact O-N 3Å; S178-M199 WeakPolarHBondContact CA-O 3.45Å
179P90.1Very high94.9Very high80 Ų8037.8 Ų37.852%0.51919%0.194SC..G310 helixtrans-58.8-28.1176.3-25.836.5000113.4A181 A182 M199P179-A181 VanDerWaalsContact C-N 3.33Å; P179-A182 VanDerWaalsContact O-CB 3.27Å; P179-A182 WeakPolarHBondContact O-CB 3.23Å; P179-A182 PolarHBondContact O-N 3.32Å; P179-M199 WeakPolarHBondContact CD-O 3.18Å
180S86.5Confident94.8Very high99 Ų9941.3 Ų41.369%0.69221%0.212SC*.G310 helixtrans-71.2-27176.754.10000113.4S178 A182S178-S180 PolarHBondContact O-N 3.43Å; S178-S180 VanDerWaalsContact O-N 3.15Å; S178-S180 PolarHBondContact OG-OG 2.71Å; S180-A182 VanDerWaalsContact C-N 3.34Å
181A90.2Very high94.7Very high1 Ų137 Ų371%0.00820%0.195CC..G310 helixtrans-85.7-6.417600000112.9A176 S178 P179 K183 R184 A185A176-A181 HydrophobicContact CB-CB 4.31Å; S178-A181 PolarHBondContact O-N 3.08Å; P179-A181 VanDerWaalsContact C-N 3.33Å; A181-K183 VanDerWaalsContact C-N 3.33Å; A181-K183 PolarHBondContact O-N 3.19Å; A181-R184 PolarHBondContact O-N 3.38Å; A181-R184 VanDerWaalsContact O-N 3.15Å; A181-A185 PolarHBondContact O-N 3.5Å
182A93Very high94.6Very high22 Ų2233.7 Ų33.718%0.18218%0.178CC..Hα-helixtrans-58.5-39.3-172.700000113.7A176 S178 P179 S180 R184 A185 Q186 V198A176-A182 HydrophobicContact CB-CB 4.33Å; S178-A182 PolarHBondContact O-N 3Å; P179-A182 VanDerWaalsContact O-CB 3.27Å; P179-A182 WeakPolarHBondContact O-CB 3.23Å; P179-A182 PolarHBondContact O-N 3.32Å; S180-A182 VanDerWaalsContact C-N 3.34Å; A182-R184 PolarHBondContact O-N 3.43Å; A182-A185 PolarHBondContact O-N 3.38Å; A182-Q186 VanDerWaalsContact O-CB 3.28Å; A182-Q186 WeakPolarHBondContact O-CB 3.49Å; A182-Q186 PolarHBondContact O-N 3.21Å; A182-V198 HydrophobicContact CB-CG1 4.39Å; A182-V198 HydrophobicContact CB-CG2 4.19Å
183K92.6Very high94.6Very high131 Ų13143.7 Ų43.757%0.5722%0.215SC*.Hα-helixtrans-61.5-43.1178.1-69.7-170.8177.2-170.30112.5A181 Q186 A187 D356A181-K183 VanDerWaalsContact C-N 3.33Å; A181-K183 PolarHBondContact O-N 3.19Å; K183-Q186 WeakPolarHBondContact O-CB 3.37Å; K183-Q186 PolarHBondContact O-N 2.84Å; K183-A187 PolarHBondContact O-N 2.92Å; K183-D356 HydrophobicContact CB-CB 4.47Å
184R93.9Very high94.5Very high28 Ų2844.8 Ų44.811%0.10622%0.221CC..Hα-helixtrans-66.5-47.5177.9-172.4-174.7-54.9121.3-3111.4A181 A182 Q186 A187 Y188 V256 D257 D258A181-R184 PolarHBondContact O-N 3.38Å; A181-R184 VanDerWaalsContact O-N 3.15Å; A182-R184 PolarHBondContact O-N 3.43Å; R184-Q186 VanDerWaalsContact C-N 3.26Å; R184-Q186 PolarHBondContact O-N 3.01Å; R184-A187 WeakPolarHBondContact O-CB 3.26Å; R184-A187 PolarHBondContact O-N 3.15Å; R184-A187 VanDerWaalsContact O-N 3.17Å; R184-Y188 HydrophobicContact CG-CE2 4.32Å; R184-Y188 WeakPolarHBondContact O-CD2 3.17Å; R184-Y188 PolarHBondContact O-N 3.48Å; R184-V256 HydrophobicContact CG-CG1 4.02Å; R184-D257 IonicContact CZ-OD1 2.71Å; R184-D257 IonicContact NH1-OD1 3.11Å; R184-D257 PolarHBondContact NH1-OD1 3.48Å; R184-D258 VanDerWaalsContact CZ-CB 3.46Å; R184-D258 IonicContact CZ-OD1 3.5Å; R184-D258 VanDerWaalsContact NH1-N 3.1Å; R184-D258 IonicContact NH1-OD1 3.05Å; R184-D258 PolarHBondContact NH1-OD1 3.09Å; R184-D258 VanDerWaalsContact NH2-CB 3.32Å; R184-D258 IonicContact NH2-OD1 3.45Å; R184-D258 PolarHBondContact NH2-OD1 2.84Å; R184-D258 IonicContact NH2-OD2 3.54Å
185A96.1Very high94.5Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-59.7-39.3175.800000111.8I174 A176 A181 A182 Y188 A189 L196I174-A185 HydrophobicContact CG2-CB 3.94Å; I174-A185 WeakPolarHBondContact CG2-O 3.35Å; A176-A185 HydrophobicContact CB-CB 3.62Å; A181-A185 PolarHBondContact O-N 3.5Å; A182-A185 PolarHBondContact O-N 3.38Å; A185-Y188 PolarHBondContact O-N 3.06Å; A185-A189 WeakPolarHBondContact O-CB 2.89Å; A185-A189 PolarHBondContact O-N 3.22Å; A185-L196 HydrophobicContact CB-CD1 3.54Å
186Q96.3Very high94.4Very high92 Ų9249.2 Ų49.243%0.4325%0.252SS..Hα-helixtrans-61.8-44174.7-177.2179-9.300112A182 K183 R184 Y188 A189 E190 L196A182-Q186 VanDerWaalsContact O-CB 3.28Å; A182-Q186 WeakPolarHBondContact O-CB 3.49Å; A182-Q186 PolarHBondContact O-N 3.21Å; K183-Q186 WeakPolarHBondContact O-CB 3.37Å; K183-Q186 PolarHBondContact O-N 2.84Å; R184-Q186 VanDerWaalsContact C-N 3.26Å; R184-Q186 PolarHBondContact O-N 3.01Å; Q186-Y188 VanDerWaalsContact C-N 3.28Å; Q186-Y188 PolarHBondContact O-N 3.25Å; Q186-A189 PolarHBondContact O-N 3.38Å; Q186-A189 VanDerWaalsContact O-N 3.15Å; Q186-E190 HydrophobicContact CG-CG 4.33Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.38Å; Q186-E190 PolarHBondContact NE2-OE1 2.97Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 2.95Å; Q186-L196 HydrophobicContact CB-CD2 4.02Å; Q186-L196 HydrophobicContact CG-CD2 4.48Å
187A94.6Very high94.5Very high3 Ų349.2 Ų49.23%0.02525%0.252CS..Hα-helixtrans-57.7-40.5176.500000112.6K183 R184 R191 T354 D357K183-A187 PolarHBondContact O-N 2.92Å; R184-A187 WeakPolarHBondContact O-CB 3.26Å; R184-A187 PolarHBondContact O-N 3.15Å; R184-A187 VanDerWaalsContact O-N 3.17Å; A187-R191 VanDerWaalsContact O-CG 3.3Å; A187-R191 WeakPolarHBondContact O-CG 3.45Å; A187-R191 PolarHBondContact O-N 3.48Å; A187-T354 VanDerWaalsContact CB-OG1 3.27Å; A187-T354 WeakPolarHBondContact CB-OG1 3.48Å; A187-D357 HydrophobicContact CB-CB 4.29Å; A187-D357 WeakPolarHBondContact CB-OD1 3.34Å
188Y96.9Very high94.6Very high4 Ų449 Ų492%0.01625%0.253CS..Hα-helixtrans-67-45.8174.2-83.1-119.3000111.7S155 L158 I159 I162 R184 A185 Q186 E190 R191 L192 V256S155-Y188 WeakPolarHBondContact CA-OH 3.39Å; L158-Y188 HydrophobicContact CB-CE1 4.11Å; L158-Y188 VanDerWaalsContact CD1-OH 3.3Å; L158-Y188 WeakPolarHBondContact CD1-OH 3.3Å; I159-Y188 HydrophobicContact CD1-CD1 4.2Å; I159-Y188 HydrophobicContact CD1-CE1 4.43Å; I159-Y188 HydrophobicContact CD1-CG 4.33Å; I159-Y188 HydrophobicContact CG1-CD1 3.78Å; I159-Y188 HydrophobicContact CG1-CE1 3.91Å; I159-Y188 HydrophobicContact CG1-CG 4.39Å; I162-Y188 HydrophobicContact CD1-CD1 4.15Å; I162-Y188 HydrophobicContact CD1-CE1 4.4Å; R184-Y188 HydrophobicContact CG-CE2 4.32Å; R184-Y188 WeakPolarHBondContact O-CD2 3.17Å; R184-Y188 PolarHBondContact O-N 3.48Å; A185-Y188 PolarHBondContact O-N 3.06Å; Q186-Y188 VanDerWaalsContact C-N 3.28Å; Q186-Y188 PolarHBondContact O-N 3.25Å; Y188-E190 VanDerWaalsContact C-N 3.35Å; Y188-E190 PolarHBondContact O-N 3.27Å; Y188-R191 PolarHBondContact O-N 3.48Å; Y188-L192 WeakPolarHBondContact O-CB 3.31Å; Y188-L192 WeakPolarHBondContact O-CG 3.29Å; Y188-L192 PolarHBondContact O-N 3.33Å; Y188-V256 HydrophobicContact CD1-CG1 4.15Å; Y188-V256 HydrophobicContact CD1-CG2 3.86Å; Y188-V256 HydrophobicContact CD2-CG1 3.86Å; Y188-V256 HydrophobicContact CE1-CG1 4.06Å; Y188-V256 HydrophobicContact CE1-CG2 4.29Å; Y188-V256 HydrophobicContact CE2-CG1 3.76Å; Y188-V256 HydrophobicContact CG-CG1 4.04Å; Y188-V256 HydrophobicContact CG-CG2 4.08Å
189A97.2Very high94.7Very high7 Ų747.9 Ų47.96%0.05825%0.245CC..Hα-helixtrans-60-43179.700000112I174 A185 Q186 R193 L194 L196I174-A189 HydrophobicContact CB-CB 4.1Å; I174-A189 HydrophobicContact CG1-CB 4.02Å; A185-A189 WeakPolarHBondContact O-CB 2.89Å; A185-A189 PolarHBondContact O-N 3.22Å; Q186-A189 PolarHBondContact O-N 3.38Å; Q186-A189 VanDerWaalsContact O-N 3.15Å; A189-R193 CarbonylContact O-C 3.59Å; A189-R193 VanDerWaalsContact O-CA 3.27Å; A189-R193 WeakPolarHBondContact O-CA 3.21Å; A189-R193 PolarHBondContact O-N 2.6Å; A189-L194 PolarHBondContact O-N 3.38Å; A189-L196 HydrophobicContact CB-CB 4.32Å
190E96Very high94.5Very high110 Ų11048.4 Ų48.451%0.51424%0.241SC..Hα-helixtrans-63.5-44.8177.6-74.1176.9-174.100111.9Q186 Y188 R193Q186-E190 HydrophobicContact CG-CG 4.33Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.38Å; Q186-E190 PolarHBondContact NE2-OE1 2.97Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 2.95Å; Y188-E190 VanDerWaalsContact C-N 3.35Å; Y188-E190 PolarHBondContact O-N 3.27Å; E190-R193 PolarHBondContact O-N 3.34Å
191R94.5Very high94Very high62 Ų6245 Ų4523%0.23422%0.221CC..Hα-helixtrans-70-35.4-179.5-70.2173.666-174.8-4.9112.7S155 I159 A187 Y188 N352 T354 D357S155-R191 PolarHBondContact OG-NH1 3.14Å; I159-R191 HydrophobicContact CD1-CB 3.93Å; I159-R191 HydrophobicContact CD1-CG 4.46Å; A187-R191 VanDerWaalsContact O-CG 3.3Å; A187-R191 WeakPolarHBondContact O-CG 3.45Å; A187-R191 PolarHBondContact O-N 3.48Å; Y188-R191 PolarHBondContact O-N 3.48Å; R191-N352 PolarHBondContact NE-O 3.19Å; R191-N352 PolarHBondContact NH2-O 3.17Å; R191-T354 HydrophobicContact CG-CG2 4.43Å; R191-D357 IonicContact NH1-OD2 3.95Å; R191-D357 PolarHBondContact NH1-OD2 2.96Å
192L96.3Very high92.8Very high1 Ų148.5 Ų48.51%0.00524%0.238CC..Hα-helixtrans-85.5-13.5177.4-68.6168.3000113.2I159 I162 Q163 Y169 R170 I174 Y188 L194I159-L192 HydrophobicContact CG1-CD1 4.5Å; I159-L192 HydrophobicContact CG1-CG 4.46Å; I159-L192 HydrophobicContact CG2-CD2 3.84Å; I159-L192 HydrophobicContact CG2-CG 4.38Å; I162-L192 HydrophobicContact CD1-CD1 3.88Å; I162-L192 HydrophobicContact CG2-CD1 3.97Å; I162-L192 HydrophobicContact CG2-CD2 4.19Å; Q163-L192 HydrophobicContact CG-CD2 3.86Å; Y169-L192 HydrophobicContact CD2-CD2 4.35Å; Y169-L192 HydrophobicContact CE2-CD2 4.13Å; R170-L192 PolarHBondContact NH1-O 3.16Å; I174-L192 HydrophobicContact CD1-CD1 3.86Å; Y188-L192 WeakPolarHBondContact O-CB 3.31Å; Y188-L192 WeakPolarHBondContact O-CG 3.29Å; Y188-L192 PolarHBondContact O-N 3.33Å; L192-L194 HydrophobicContact CB-CB 4.46Å; L192-L194 HydrophobicContact CB-CD1 3.7Å; L192-L194 HydrophobicContact CB-CG 3.75Å; L192-L194 HydrophobicContact CD1-CD1 4.05Å; L192-L194 HydrophobicContact CG-CD1 4.46Å
193R97.2Very high91.1Very high210 Ų21048.5 Ų48.579%0.79224%0.238SC*.THydrogen-bonded Turntrans57.549-171.3-53.6-179.7-176.6169.7-0.2112.2A189 E190A189-R193 CarbonylContact O-C 3.59Å; A189-R193 VanDerWaalsContact O-CA 3.27Å; A189-R193 WeakPolarHBondContact O-CA 3.21Å; A189-R193 PolarHBondContact O-N 2.6Å; E190-R193 PolarHBondContact O-N 3.34Å
194L97.8Very high89.1Confident25 Ų2551.2 Ų51.213%0.13125%0.252CS..  trans-114.8168.2-179.1-62.5177.4000111.4A172 I174 A189 L192A172-L194 HydrophobicContact CB-CD1 4.08Å; I174-L194 HydrophobicContact CD1-CD1 3.96Å; I174-L194 HydrophobicContact CG1-CB 4.29Å; I174-L194 HydrophobicContact CG1-CD1 4.24Å; A189-L194 PolarHBondContact O-N 3.38Å; L192-L194 HydrophobicContact CB-CB 4.46Å; L192-L194 HydrophobicContact CB-CD1 3.7Å; L192-L194 HydrophobicContact CB-CG 3.75Å; L192-L194 HydrophobicContact CD1-CD1 4.05Å; L192-L194 HydrophobicContact CG-CD1 4.46Å
195G97.3Very high86.7Confident32 Ų3257.6 Ų57.633%0.3328%0.283SS..EExtended strand (participates in β ladder)trans-69.3161170.100000112.1I174I174-G195 PolarHBondContact N-O 3.42Å
196L97.6Very high84.1Confident62 Ų6259.7 Ų59.733%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-118.9134.3173.7177.467.4000109.4I174 A185 Q186 A189 V198I174-L196 CarbonylContact O-C 3.51Å; I174-L196 WeakPolarHBondContact O-CA 3.28Å; A185-L196 HydrophobicContact CB-CD1 3.54Å; Q186-L196 HydrophobicContact CB-CD2 4.02Å; Q186-L196 HydrophobicContact CG-CD2 4.48Å; A189-L196 HydrophobicContact CB-CB 4.32Å; L196-V198 HydrophobicContact CD2-CG2 4.32Å; L196-V198 HydrophobicContact CG-CG2 4.21Å
197A97.1Very high81.4Confident0 Ų063.1 Ų63.10%031%0.314CS..EExtended strand (participates in β ladder)trans-121.5149.1164.500000109.7V173 I174 V175 A176 V244 V245 V248V173-A197 HydrophobicContact CG2-CB 4.03Å; I174-A197 PolarHBondContact O-N 2.78Å; V175-A197 CarbonylContact C-O 3.56Å; V175-A197 VanDerWaalsContact CA-O 3.31Å; V175-A197 WeakPolarHBondContact CA-O 3.41Å; V175-A197 HydrophobicContact CG2-CB 4.31Å; A176-A197 PolarHBondContact N-O 2.88Å; A197-V244 HydrophobicContact CB-CG1 4.13Å; A197-V245 CarbonylContact C-O 3.58Å; A197-V245 VanDerWaalsContact CA-O 3.23Å; A197-V245 WeakPolarHBondContact CA-O 3.33Å; A197-V248 HydrophobicContact CB-CG1 3.74Å
198V96.3Very high79Confident32 Ų3267.6 Ų67.619%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-129131.7-179.2-178.20000108.9A176 A182 L196 V245A176-V198 HydrophobicContact CB-CB 4.43Å; A176-V198 HydrophobicContact CB-CG1 4.2Å; A176-V198 HydrophobicContact CB-CG2 4.16Å; A182-V198 HydrophobicContact CB-CG1 4.39Å; A182-V198 HydrophobicContact CB-CG2 4.19Å; L196-V198 HydrophobicContact CD2-CG2 4.32Å; L196-V198 HydrophobicContact CG-CG2 4.21Å; V198-V245 PolarHBondContact N-O 3.05Å; V198-V245 PolarHBondContact O-N 3.27Å
199M91.3Very high76.6Confident4 Ų471.5 Ų71.52%0.0237%0.366CS..EExtended strand (participates in β ladder)trans-89.8141.8174.7-56.1-167.66600110.5V175 A176 K177 S178 P179 I242 T243 V244 A269 L273V175-M199 HydrophobicContact CG1-CG 3.84Å; V175-M199 HydrophobicContact CG1-SD 4.06Å; A176-M199 WeakPolarHBondContact O-CB 3.35Å; A176-M199 WeakPolarHBondContact O-CG 3.43Å; A176-M199 PolarHBondContact O-N 3.36Å; K177-M199 WeakPolarHBondContact O-CB 3.27Å; S178-M199 WeakPolarHBondContact CA-O 3.45Å; P179-M199 WeakPolarHBondContact CD-O 3.18Å; M199-I242 HydrophobicContact CE-CG2 3.32Å; M199-T243 WeakPolarHBondContact CA-O 3.46Å; M199-V244 HydrophobicContact CE-CG2 3.93Å; M199-V244 HydrophobicContact CG-CG2 4.27Å; M199-A269 VanDerWaalsContact CE-CA 3.42Å; M199-A269 HydrophobicContact CE-CB 3.67Å; M199-A269 HydrophobicContact SD-CB 3.36Å; M199-A269 WeakPolarHBondContact SD-CB 3.37Å; M199-L273 HydrophobicContact SD-CD1 4.44Å; M199-L273 HydrophobicContact SD-CG 4.4Å
200H85.8Confident73.9Confident91 Ų9178 Ų7842%0.42140%0.397SS..EExtended strand (participates in β ladder)trans-138.2142.4179.2176.875.9000110.3I242 T243H200-I242 CarbonylContact O-C 3.54Å; H200-I242 WeakPolarHBondContact O-CA 3.14Å; H200-T243 PolarHBondContact N-O 3.12Å; H200-T243 PolarHBondContact O-N 3.06Å; H200-T243 PolarHBondContact O-OG1 2.94Å; H200-T243 VanDerWaalsContact O-OG1 3.09Å
201G76.1Confident71.6Confident28 Ų2876.6 Ų76.629%0.28940%0.403SS..SBendtrans110.4176-174.300000111.4P240G201-P240 VanDerWaalsContact CA-O 3.28Å; G201-P240 WeakPolarHBondContact CA-O 3.44Å
202E64.7Low69.3Low75 Ų7577.5 Ų77.535%0.3541%0.413SS..  trans-128.8148.2176.7-67.9-176.8-160.200109.6S206 K239 P240E202-S206 PolarHBondContact OE2-OG 2.83Å; E202-K239 HydrophobicContact CB-CD 4.34Å; E202-K239 HydrophobicContact CG-CD 4.21Å; E202-K239 IonicContact OE1-NZ 3.01Å; E202-K239 PolarHBondContact OE1-NZ 3.42Å; E202-K239 WeakPolarHBondContact OE2-CD 3.41Å; E202-K239 WeakPolarHBondContact OE2-CE 3.46Å; E202-K239 IonicContact OE2-NZ 3.37Å; E202-K239 PolarHBondContact OE2-NZ 2.89Å; E202-P240 PolarHBondContact N-O 3.18Å
203A57.3Low67.3Low22 Ų2280.6 Ų80.618%0.18245%0.445CS..  trans-64.5142.8170.400000109.2H205 S206 I242 A268A203-H205 PolarHBondContact O-N 2.91Å; A203-S206 PolarHBondContact O-N 2.88Å; A203-I242 HydrophobicContact CB-CD1 3.96Å; A203-A268 HydrophobicContact CB-CB 4.24Å
204Q51.1Low65Low188 Ų18879.9 Ų79.988%0.87944%0.442SS*.THydrogen-bonded Turntrans-635.7-179.7-75.1-171.2-25.100114.7
205H44Very low62.7Low162 Ų16286.4 Ų86.475%0.7547%0.472SS*.THydrogen-bonded Turntrans-117.76.6-174.2-73.1-63000115.4A203 E207A203-H205 PolarHBondContact O-N 2.91Å; H205-E207 PolarHBondContact O-N 3.11Å
206S40.3Very low60.3Low43 Ų4388.6 Ų88.630%0.30148%0.483SS..  trans-70.493.3178.869.60000111.4E202 A203 S208E202-S206 PolarHBondContact OE2-OG 2.83Å; A203-S206 PolarHBondContact O-N 2.88Å; S206-S208 PolarHBondContact O-N 2.6Å
207E40.9Very low58Low165 Ų16591 Ų9177%0.77150%0.502SS*.G310 helixtrans-60.9-2.5172.1-69.8-167.7150.500113.4H205 D209 M210H205-E207 PolarHBondContact O-N 3.11Å; E207-D209 PolarHBondContact O-N 2.81Å; E207-D209 VanDerWaalsContact O-N 3.16Å; E207-M210 PolarHBondContact O-N 2.85Å
208S44.3Very low55.6Low96 Ų9696.8 Ų96.867%0.67154%0.539SS*.G310 helixtrans-68.2-9.6-18053.30000115.1S206S206-S208 PolarHBondContact O-N 2.6Å
209D45.4Very low53Low86 Ų86103 Ų10346%0.4657%0.571SS.*G310 helixtrans-120.240.8176.1-85.1-29.4000113.1K110 E207 A211 K239K110-D209 IonicContact NZ-OD1 3.87Å; E207-D209 PolarHBondContact O-N 2.81Å; E207-D209 VanDerWaalsContact O-N 3.16Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-A211 PolarHBondContact O-N 3.47Å; D209-K239 IonicContact OD2-NZ 3.18Å; D209-K239 PolarHBondContact OD2-NZ 3.45Å
210M40.2Very low50.8Low145 Ų145108 Ų10871%0.71461%0.606SS**  trans-53.2107154.3-79.9-72-175.800107.8E207 D212E207-M210 PolarHBondContact O-N 2.85Å; M210-D212 PolarHBondContact O-N 2.72Å
211A47.4Very low48.7Very low79 Ų79114.6 Ų114.665%0.65363%0.627SS**  trans-59.4104.7167.700000105.6D209 G213D209-A211 VanDerWaalsContact C-N 3.34Å; D209-A211 PolarHBondContact O-N 3.47Å; A211-G213 PolarHBondContact O-N 3.01Å
212D47.6Very low46.9Very low82 Ų82119.3 Ų119.344%0.43965%0.651SS.*  trans-64.97-171.667.8-5.4000113.9M210 R214M210-D212 PolarHBondContact O-N 2.72Å; D212-R214 HydrophobicContact CB-CG 4.2Å; D212-R214 WeakPolarHBondContact O-CG 3.48Å; D212-R214 PolarHBondContact O-N 3.21Å; D212-R214 VanDerWaalsContact O-N 3.08Å; D212-R214 WeakPolarHBondContact OD1-CA 3.24Å; D212-R214 VanDerWaalsContact OD1-CB 3.27Å; D212-R214 WeakPolarHBondContact OD1-CB 3.49Å; D212-R214 PolarHBondContact OD1-N 2.88Å; D212-R214 WeakPolarHBondContact OD2-CD 3.4Å; D212-R214 IonicContact OD2-NE 3.93Å
213G53.8Low46.1Very low66 Ų66122.7 Ų122.768%0.6868%0.676SS**SBendtrans63.78.7-175.500000113.2A211A211-G213 PolarHBondContact O-N 3.01Å
214R49.4Very low45.4Very low194 Ų194126 Ų12673%0.73270%0.703SS**  trans-98.514.9-176.7-52.2-177.4-170.8167.2-1.4113.2D212 S216D212-R214 HydrophobicContact CB-CG 4.2Å; D212-R214 WeakPolarHBondContact O-CG 3.48Å; D212-R214 PolarHBondContact O-N 3.21Å; D212-R214 VanDerWaalsContact O-N 3.08Å; D212-R214 WeakPolarHBondContact OD1-CA 3.24Å; D212-R214 VanDerWaalsContact OD1-CB 3.27Å; D212-R214 WeakPolarHBondContact OD1-CB 3.49Å; D212-R214 PolarHBondContact OD1-N 2.88Å; D212-R214 WeakPolarHBondContact OD2-CD 3.4Å; D212-R214 IonicContact OD2-NE 3.93Å; R214-S216 VanDerWaalsContact C-N 3.32Å; R214-S216 PolarHBondContact O-N 2.99Å
215H49.2Very low45.3Very low162 Ų162120.3 Ų120.375%0.7570%0.696SS**SBendtrans-57.1109.5147.4-74-64.2000105.8P217H215-P217 VanDerWaalsContact O-N 3.15Å
216S46.9Very low45.3Very low79 Ų79121.4 Ų121.455%0.55270%0.701SS**  trans-44.4128.5171-53.90000106.8R214R214-S216 VanDerWaalsContact C-N 3.32Å; R214-S216 PolarHBondContact O-N 2.99Å
217P49.4Very low45.8Very low112 Ų112127 Ų12773%0.72773%0.734SS**  trans-49.4137.1170.4-20.129.3000106.5H215 L219H215-P217 VanDerWaalsContact O-N 3.15Å; P217-L219 PolarHBondContact O-N 2.7Å; P217-L219 VanDerWaalsContact O-N 3.17Å
218P46.6Very low46.1Very low121 Ų121122 Ų12279%0.78673%0.726SS**  trans-50.3133.6169.322.5-30.1000106.5S220P218-S220 PolarHBondContact O-N 2.99Å
219L41.3Very low46.6Very low164 Ų164125.6 Ų125.686%0.85974%0.737SS**  trans-40.4122.8179.8-85.6120.1000108.5P217 R221P217-L219 PolarHBondContact O-N 2.7Å; P217-L219 VanDerWaalsContact O-N 3.17Å; L219-R221 PolarHBondContact O-N 2.77Å
220S44.3Very low46.7Very low109 Ų109130.7 Ų130.776%0.76276%0.758SS**  trans-5297.51661660000106.7P218 T222P218-S220 PolarHBondContact O-N 2.99Å; S220-T222 VanDerWaalsContact C-N 3.32Å; S220-T222 PolarHBondContact O-N 3.14Å
221R43.1Very low47.4Very low229 Ų229131.4 Ų131.486%0.86476%0.764SS**  trans-69.3102.3167.5-93.5-177.3164.7180-4.6104.3L219 T223L219-R221 PolarHBondContact O-N 2.77Å; R221-T223 PolarHBondContact O-N 2.79Å
222T38.7Very low47.5Very low127 Ų127133 Ų13378%0.77977%0.768SS**  trans-44.7117.4156.330.90000107.5S220 A224S220-T222 VanDerWaalsContact C-N 3.32Å; S220-T222 PolarHBondContact O-N 3.14Å; T222-A224 PolarHBondContact O-N 2.83Å
223T46.1Very low47.6Very low145 Ų145137.1 Ų137.189%0.8979%0.789SS**  trans-61.7101.4-176.943.40000109.8R221R221-T223 PolarHBondContact O-N 2.79Å
224A43Very low47.2Very low91 Ų91142.9 Ų142.975%0.75280%0.8SS**  trans-129.596.8156.300000107.9T222T222-A224 PolarHBondContact O-N 2.83Å
225G48.8Very low46.9Very low70 Ų70141.8 Ų141.872%0.72281%0.805SS**  trans33.194.1159.500000119.3
226H44.9Very low47Very low185 Ų185139.8 Ų139.886%0.85681%0.807SS**  trans-145.3119.2142.2-78.4-69.4000108.8G228H226-G228 PolarHBondContact O-N 3.33Å
227T49.8Very low47.3Very low161 Ų161145.7 Ų145.799%0.98882%0.823SS**  trans-67.784.1164.845.20000108.2
228G48.2Very low47.6Very low60 Ų60149.4 Ų149.462%0.61983%0.83SS**  trans-123.1130.5179.500000110.1H226 E230H226-G228 PolarHBondContact O-N 3.33Å; G228-E230 PolarHBondContact O-N 3.25Å
229L54.8Low48.1Very low170 Ų170148 Ų14889%0.8981%0.812SS**  trans-21.9123.9175.5-75.7124.6000114.8L231L229-L231 PolarHBondContact O-N 3.08Å
230E48.1Very low49Very low193 Ų193143.2 Ų143.290%0.90279%0.791SS**  trans-59.2109.2162.3-78.7-175.1153.200108.5G228G228-E230 PolarHBondContact O-N 3.25Å
231L53.3Low50.4Low160 Ų160142.4 Ų142.484%0.83878%0.783SS**  trans-69.2129.5169.4-82155.4000108.1L229 L233L229-L231 PolarHBondContact O-N 3.08Å; L231-L233 PolarHBondContact O-N 3.11Å
232P50.4Low52.1Low113 Ų113133.4 Ų133.473%0.73475%0.751SS**  trans-56.4136.3176.3-2130.8000110.3M234P232-M234 PolarHBondContact O-N 3.29Å
233L49.8Very low54.4Low168 Ų168129.9 Ų129.988%0.8873%0.73SS**  trans-53.3111.2166.8-92.6139.9000108.3L231 M235L231-L233 PolarHBondContact O-N 3.11Å; L233-M235 PolarHBondContact O-N 3.33Å
234M46.2Very low56.5Low188 Ų188123.3 Ų123.393%0.92669%0.689SS**  trans-62104171.9-104.6179126.100107.7P232P232-M234 PolarHBondContact O-N 3.29Å
235M42.9Very low58.9Low170 Ų170123.6 Ų123.684%0.83768%0.681SS**  trans-62.6135.4167.8-64-173.6179.300108L233 K237L233-M235 PolarHBondContact O-N 3.33Å; M235-K237 PolarHBondContact O-N 3.48Å
236P51.5Low60.9Low120 Ų120122.1 Ų122.178%0.77967%0.667SS**  trans-52.3126.7169.3-22.132.2000108.5E238P236-E238 PolarHBondContact O-N 2.78Å
237K52.4Low63.3Low204 Ų204117.9 Ų117.989%0.88765%0.65SS**  trans-61113.8171.4-81.7-175.7173.6-178.70107.4M235 K239M235-K237 PolarHBondContact O-N 3.48Å; K237-K239 PolarHBondContact O-N 2.9Å
238E55.3Low65.5Low189 Ų189110.4 Ų110.488%0.88360%0.604SS**PPolyproline II helixtrans-56.2132.9168.6-73.6-176.6166.500108.7P236P236-E238 PolarHBondContact O-N 2.78Å
239K58.1Low67.8Low91 Ų91109 Ų10940%0.39659%0.59SS.*PPolyproline II helixtrans-71.4140-180-65.4-171.6-176.5-175.80109.2E202 D209 K237E202-K239 HydrophobicContact CB-CD 4.34Å; E202-K239 HydrophobicContact CG-CD 4.21Å; E202-K239 IonicContact OE1-NZ 3.01Å; E202-K239 PolarHBondContact OE1-NZ 3.42Å; E202-K239 WeakPolarHBondContact OE2-CD 3.41Å; E202-K239 WeakPolarHBondContact OE2-CE 3.46Å; E202-K239 IonicContact OE2-NZ 3.37Å; E202-K239 PolarHBondContact OE2-NZ 2.89Å; D209-K239 IonicContact OD2-NZ 3.18Å; D209-K239 PolarHBondContact OD2-NZ 3.45Å; K237-K239 PolarHBondContact O-N 2.9Å
240P60.1Low69.8Low65 Ų65103.3 Ų103.342%0.42257%0.573SS.*PPolyproline II helixtrans-65.7144.7-177.625.4-31.6000110.8G201 E202G201-P240 VanDerWaalsContact CA-O 3.28Å; G201-P240 WeakPolarHBondContact CA-O 3.44Å; E202-P240 PolarHBondContact N-O 3.18Å
241P73.3Confident72.1Confident91 Ų9197.9 Ų97.959%0.59154%0.544SS*.PPolyproline II helixtrans-61.3158.2174.727.8-34.8000110.8T243P241-T243 PolarHBondContact O-N 3.44Å
242I79.4Confident74.3Confident41 Ų4190.4 Ų90.421%0.2151%0.505CS..PPolyproline II helixtrans-59.9126.7177.7-63.8174.6000109.7M199 H200 A203 A268M199-I242 HydrophobicContact CE-CG2 3.32Å; H200-I242 CarbonylContact O-C 3.54Å; H200-I242 WeakPolarHBondContact O-CA 3.14Å; A203-I242 HydrophobicContact CB-CD1 3.96Å; I242-A268 HydrophobicContact CD1-CB 3.62Å
243T86.3Confident76.6Confident53 Ų5385 Ų8533%0.32547%0.47SS..EExtended strand (participates in β ladder)trans-132.8147.4177.654.20000109.5M199 H200 P241M199-T243 WeakPolarHBondContact CA-O 3.46Å; H200-T243 PolarHBondContact N-O 3.12Å; H200-T243 PolarHBondContact O-N 3.06Å; H200-T243 PolarHBondContact O-OG1 2.94Å; H200-T243 VanDerWaalsContact O-OG1 3.09Å; P241-T243 PolarHBondContact O-N 3.44Å
244V90.4Very high78.9Confident7 Ų777 Ų774%0.04243%0.428CS..EExtended strand (participates in β ladder)trans-104.6130.6176-174.50000108.9A197 M199 V248 L273 R276A197-V244 HydrophobicContact CB-CG1 4.13Å; M199-V244 HydrophobicContact CE-CG2 3.93Å; M199-V244 HydrophobicContact CG-CG2 4.27Å; V244-V248 HydrophobicContact CG1-CG1 3.98Å; V244-L273 HydrophobicContact CG1-CD2 4.29Å; V244-L273 HydrophobicContact CG2-CD2 4.25Å; V244-R276 PolarHBondContact O-NH1 3.32Å
245V92.9Very high81.4Confident96 Ų9668.1 Ų68.158%0.58238%0.384SS*.EExtended strand (participates in β ladder)trans-107.8111172-178.10000107.7A197 V198A197-V245 CarbonylContact C-O 3.58Å; A197-V245 VanDerWaalsContact CA-O 3.23Å; A197-V245 WeakPolarHBondContact CA-O 3.33Å; V198-V245 PolarHBondContact N-O 3.05Å; V198-V245 PolarHBondContact O-N 3.27Å
246G91.4Very high84Confident40 Ų4060 Ų6041%0.41234%0.344SS..SBendtrans132160.9-174.800000112.2
247D94.1Very high86.1Confident95 Ų9555 Ų5551%0.50831%0.31SS..  trans-87.4119.3176.5176.732.4000110.6G249 R251D247-G249 PolarHBondContact OD1-N 3.08Å; D247-R251 IonicContact OD2-CZ 2.7Å; D247-R251 IonicContact OD2-NE 2.62Å; D247-R251 PolarHBondContact OD2-NE 3.18Å; D247-R251 IonicContact OD2-NH2 2.68Å; D247-R251 PolarHBondContact OD2-NH2 2.8Å
248V96.4Very high88.2Confident4 Ų445.4 Ų45.42%0.02427%0.269CS..  trans-123.9-3.3-178.9-55.30000112.8V173 A197 V244 R251 L273 R276V173-V248 HydrophobicContact CG1-CB 4.2Å; V173-V248 HydrophobicContact CG1-CG1 3.95Å; A197-V248 HydrophobicContact CB-CG1 3.74Å; V244-V248 HydrophobicContact CG1-CG1 3.98Å; V248-R251 PolarHBondContact O-N 3Å; V248-L273 HydrophobicContact CB-CD2 4.31Å; V248-L273 HydrophobicContact CG1-CD2 3.93Å; V248-L273 HydrophobicContact CG2-CD2 4.3Å; V248-R276 HydrophobicContact CG2-CB 3.51Å
249G96.4Very high90.2Very high32 Ų3236.7 Ų36.733%0.3323%0.228SC..THydrogen-bonded Turntrans-72.1130.6-172.800000112.2D247 R251 R276D247-G249 PolarHBondContact OD1-N 3.08Å; G249-R251 PolarHBondContact O-N 3.06Å; G249-R276 WeakPolarHBondContact CA-O 3.27Å
250G96.5Very high92Very high50 Ų5032.3 Ų32.352%0.51521%0.209SC..THydrogen-bonded Turntrans6916.4-179.600000114.3N171 G277 Y279N171-G250 PolarHBondContact ND2-O 3.32Å; G250-G277 PolarHBondContact N-O 2.61Å; G250-Y279 WeakPolarHBondContact O-CE1 3.45Å
251R97.9Very high93.6Very high78 Ų7831 Ų3129%0.29420%0.199SC..SBendtrans-118.1162.9-177.9-63.7-174.9-162.5-141.18.3111.9N171 V173 D247 V248 G249 A278 Y279N171-R251 WeakPolarHBondContact O-CA 3.4Å; N171-R251 VanDerWaalsContact O-CB 3.24Å; N171-R251 WeakPolarHBondContact O-CB 3.39Å; V173-R251 HydrophobicContact CG1-CB 4.25Å; D247-R251 IonicContact OD2-CZ 2.7Å; D247-R251 IonicContact OD2-NE 2.62Å; D247-R251 PolarHBondContact OD2-NE 3.18Å; D247-R251 IonicContact OD2-NH2 2.68Å; D247-R251 PolarHBondContact OD2-NH2 2.8Å; V248-R251 PolarHBondContact O-N 3Å; G249-R251 PolarHBondContact O-N 3.06Å; R251-A278 WeakPolarHBondContact O-CA 3.35Å; R251-Y279 VanDerWaalsContact O-CD1 3.3Å; R251-Y279 WeakPolarHBondContact O-CD1 3.39Å; R251-Y279 PolarHBondContact O-N 3.48Å
252I98.6Very high94.3Very high4 Ų431.1 Ų31.12%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-78.4128.4164.9-55.6-178.4000107.6I166 P167 N171 A172 V173 I254 Y279 K280 Y282I166-I252 HydrophobicContact CG2-CD1 4.18Å; P167-I252 WeakPolarHBondContact O-CD1 3.3Å; N171-I252 PolarHBondContact O-N 2.71Å; A172-I252 CarbonylContact C-O 3.57Å; A172-I252 WeakPolarHBondContact CA-O 3.24Å; A172-I252 HydrophobicContact CB-CB 3.82Å; A172-I252 HydrophobicContact CB-CG2 4.24Å; A172-I252 WeakPolarHBondContact CB-O 3.44Å; V173-I252 PolarHBondContact N-O 3.39Å; I252-I254 HydrophobicContact CG2-CG1 4.13Å; I252-Y279 HydrophobicContact CG1-CE1 3.99Å; I252-Y279 HydrophobicContact CG1-CE2 4Å; I252-Y279 VanDerWaalsContact CG1-CZ 3.46Å; I252-Y279 WeakPolarHBondContact CG1-OH 3.34Å; I252-K280 HydrophobicContact CB-CB 4.39Å; I252-K280 HydrophobicContact CG1-CB 4.14Å; I252-K280 HydrophobicContact CG2-CB 3.98Å; I252-Y282 HydrophobicContact CG2-CD2 3.47Å; I252-Y282 VanDerWaalsContact CG2-CD2 3.47Å; I252-Y282 HydrophobicContact CG2-CE2 3.55Å
253A98.5Very high95Very high0 Ų029.2 Ų29.20%019%0.185CC..EExtended strand (participates in β ladder)trans-97.5124.1173.300000110.1V173 V175 L273 A278 K280 I281 Y282V173-A253 HydrophobicContact CG1-CB 4.49Å; V175-A253 HydrophobicContact CG2-CB 3.96Å; A253-L273 HydrophobicContact CB-CB 4.45Å; A253-L273 HydrophobicContact CB-CD1 3.91Å; A253-L273 HydrophobicContact CB-CD2 4.23Å; A253-L273 HydrophobicContact CB-CG 4.43Å; A253-A278 HydrophobicContact CB-CB 3.93Å; A253-K280 PolarHBondContact N-O 3.07Å; A253-I281 HydrophobicContact CB-CG1 4.44Å; A253-I281 WeakPolarHBondContact O-CA 3.28Å; A253-Y282 PolarHBondContact O-N 2.94Å
254I98.6Very high95.3Very high0 Ų030.8 Ų30.80%019%0.191CC..EExtended strand (participates in β ladder)trans-114.6102.1176.7-54.2175.7000108.3I162 I166 A172 V173 I174 V175 I252 V256 Y282 M284I162-I254 HydrophobicContact CD1-CD1 4.5Å; I162-I254 HydrophobicContact CD1-CG2 4.23Å; I162-I254 HydrophobicContact CG1-CD1 4.44Å; I162-I254 HydrophobicContact CG2-CD1 3.91Å; I166-I254 HydrophobicContact CD1-CD1 3.96Å; I166-I254 HydrophobicContact CD1-CG1 4.49Å; A172-I254 HydrophobicContact CB-CD1 3.69Å; A172-I254 HydrophobicContact CB-CG1 4.08Å; V173-I254 PolarHBondContact O-N 2.79Å; I174-I254 CarbonylContact C-O 3.59Å; I174-I254 WeakPolarHBondContact CA-O 3.27Å; I174-I254 HydrophobicContact CD1-CB 3.97Å; I174-I254 HydrophobicContact CD1-CD1 4.2Å; I174-I254 HydrophobicContact CD1-CG2 4.34Å; V175-I254 PolarHBondContact N-O 3.33Å; I252-I254 HydrophobicContact CG2-CG1 4.13Å; I254-V256 HydrophobicContact CG2-CG2 4.32Å; I254-Y282 CarbonylContact C-O 3.59Å; I254-Y282 WeakPolarHBondContact CA-O 3.3Å; I254-M284 HydrophobicContact CG2-CE 4.3Å; I254-M284 HydrophobicContact CG2-CG 3.57Å
255I98.4Very high95.3Very high0 Ų033.7 Ų33.70%021%0.207CC..EExtended strand (participates in β ladder)trans-75.1128.1175.7-55.3174.3000108.8V175 K177 F266 A269 L273 I281 Y282 I283 M284V175-I255 HydrophobicContact CB-CG1 4.13Å; V175-I255 HydrophobicContact CG1-CG1 4.38Å; V175-I255 VanDerWaalsContact O-CA 3.31Å; V175-I255 WeakPolarHBondContact O-CA 3.31Å; K177-I255 HydrophobicContact CB-CG2 4.13Å; I255-F266 HydrophobicContact CG2-CD1 4.18Å; I255-F266 HydrophobicContact CG2-CE1 4.13Å; I255-A269 HydrophobicContact CD1-CB 4.06Å; I255-L273 HydrophobicContact CD1-CD1 3.79Å; I255-L273 HydrophobicContact CG1-CD1 3.87Å; I255-I281 HydrophobicContact CD1-CG2 4.26Å; I255-Y282 PolarHBondContact N-O 2.93Å; I255-I283 HydrophobicContact CB-CG1 4.25Å; I255-I283 HydrophobicContact CD1-CG1 4.29Å; I255-I283 CarbonylContact O-C 3.43Å; I255-I283 WeakPolarHBondContact O-CA 3.36Å; I255-M284 PolarHBondContact O-N 3.11Å
256V97.6Very high95.4Very high0 Ų029.4 Ų29.40%018%0.18CC..EExtended strand (participates in β ladder)trans-117.4125.4178.3-179.30000110.1I174 V175 R184 Y188 I254 M284I174-V256 HydrophobicContact CG2-CB 4.39Å; I174-V256 HydrophobicContact CG2-CG2 3.7Å; V175-V256 PolarHBondContact O-N 3.16Å; R184-V256 HydrophobicContact CG-CG1 4.02Å; Y188-V256 HydrophobicContact CD1-CG1 4.15Å; Y188-V256 HydrophobicContact CD1-CG2 3.86Å; Y188-V256 HydrophobicContact CD2-CG1 3.86Å; Y188-V256 HydrophobicContact CE1-CG1 4.06Å; Y188-V256 HydrophobicContact CE1-CG2 4.29Å; Y188-V256 HydrophobicContact CE2-CG1 3.76Å; Y188-V256 HydrophobicContact CG-CG1 4.04Å; Y188-V256 HydrophobicContact CG-CG2 4.08Å; I254-V256 HydrophobicContact CG2-CG2 4.32Å; V256-M284 WeakPolarHBondContact CA-O 3.38Å; V256-M284 HydrophobicContact CG2-CB 4.23Å
257D96.1Very high95.6Very high14 Ų1429 Ų298%0.07517%0.169CC..EExtended strand (participates in β ladder)trans-140.1172.5173.1-141.7-30.8000111.2K177 R184 F266 M284 A285K177-D257 WeakPolarHBondContact CE-OD2 3.07Å; R184-D257 IonicContact CZ-OD1 2.71Å; R184-D257 IonicContact NH1-OD1 3.11Å; R184-D257 PolarHBondContact NH1-OD1 3.48Å; D257-F266 HydrophobicContact CB-CE1 4Å; D257-F266 HydrophobicContact CB-CZ 3.8Å; D257-M284 PolarHBondContact N-O 3.25Å; D257-A285 VanDerWaalsContact O-CA 3.28Å; D257-A285 WeakPolarHBondContact O-CA 3.22Å
258D95.9Very high95.5Very high3 Ų325.6 Ų25.62%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-87.5-36.9174.755.1-62.7000112.2H137 R184 T286 H287H137-D258 WeakPolarHBondContact CA-OD2 3.45Å; H137-D258 IonicContact CE1-OD2 3.76Å; H137-D258 IonicContact CG-OD2 3.88Å; H137-D258 IonicContact ND1-OD1 3.32Å; H137-D258 IonicContact ND1-OD2 2.79Å; H137-D258 PolarHBondContact ND1-OD2 2.93Å; R184-D258 VanDerWaalsContact CZ-CB 3.46Å; R184-D258 IonicContact CZ-OD1 3.5Å; R184-D258 VanDerWaalsContact NH1-N 3.1Å; R184-D258 IonicContact NH1-OD1 3.05Å; R184-D258 PolarHBondContact NH1-OD1 3.09Å; R184-D258 VanDerWaalsContact NH2-CB 3.32Å; R184-D258 IonicContact NH2-OD1 3.45Å; R184-D258 PolarHBondContact NH2-OD1 2.84Å; R184-D258 IonicContact NH2-OD2 3.54Å; D258-T286 PolarHBondContact O-N 2.93Å; D258-T286 VanDerWaalsContact O-N 3.14Å; D258-H287 PolarHBondContact O-CD2 3.35Å; D258-H287 PolarHBondContact O-N 3.12Å
259I96.9Very high95.5Very high6 Ų625.5 Ų25.53%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-133.3129.8-173.3-62.3162000109.4Y99 K104 H137 D261 H287 L289Y99-I259 HydrophobicContact CE2-CD1 3.92Å; Y99-I259 HydrophobicContact CE2-CG1 4.25Å; K104-I259 HydrophobicContact CG-CD1 4.13Å; H137-I259 HydrophobicContact CB-CD1 4.27Å; I259-D261 HydrophobicContact CG2-CB 4.02Å; I259-H287 WeakPolarHBondContact CA-O 3.49Å; I259-H287 HydrophobicContact CB-CB 4.46Å; I259-H287 HydrophobicContact CG1-CB 3.95Å; I259-L289 HydrophobicContact CG2-CD1 4.08Å; I259-L289 HydrophobicContact CG2-CD2 4.5Å
260I96.2Very high95.4Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans-110.1120.5162.8-172.8173.1000108.8V263 F266 I283 A285 H287 L289 L290 I298 V306 V308I260-V263 HydrophobicContact CD1-CG1 3.92Å; I260-V263 HydrophobicContact CG1-CG1 3.83Å; I260-F266 HydrophobicContact CB-CE2 4.33Å; I260-F266 HydrophobicContact CB-CZ 4.32Å; I260-F266 HydrophobicContact CG1-CD2 4.19Å; I260-F266 HydrophobicContact CG1-CE2 4.02Å; I260-F266 HydrophobicContact CG1-CZ 4.37Å; I260-I283 HydrophobicContact CD1-CD1 4.5Å; I260-I283 HydrophobicContact CD1-CG2 4.34Å; I260-A285 HydrophobicContact CB-CB 4.22Å; I260-A285 HydrophobicContact CG2-CB 4.03Å; I260-H287 PolarHBondContact N-O 3.27Å; I260-L289 WeakPolarHBondContact O-CB 3.44Å; I260-L289 PolarHBondContact O-N 2.88Å; I260-L290 HydrophobicContact CD1-CD2 3.96Å; I260-L290 HydrophobicContact CG1-CD2 4.06Å; I260-L290 HydrophobicContact CG2-CD2 3.96Å; I260-L290 HydrophobicContact CG2-CG 4.26Å; I260-L290 PolarHBondContact O-N 2.86Å; I260-L290 VanDerWaalsContact O-N 3.12Å; I260-I298 HydrophobicContact CD1-CD1 4.15Å; I260-V306 HydrophobicContact CD1-CG1 3.88Å; I260-V308 HydrophobicContact CG2-CG1 3.54Å
261D93.8Very high95.4Very high36 Ų3625.1 Ų25.119%0.19313%0.131CC..SBendtrans-136-81.1-172.3178.121.6000109.1K104 I259 L289 S291K104-D261 IonicContact NZ-OD2 2.85Å; I259-D261 HydrophobicContact CG2-CB 4.02Å; D261-L289 HydrophobicContact CB-CB 3.89Å; D261-L289 HydrophobicContact CB-CD2 4.21Å; D261-S291 PolarHBondContact O-N 3.02Å; D261-S291 VanDerWaalsContact O-N 3.13Å; D261-S291 WeakPolarHBondContact OD1-CB 3.13Å; D261-S291 PolarHBondContact OD1-OG 3.38Å
262D88.9Confident95.3Very high95 Ų9522.3 Ų22.351%0.50812%0.123SC..  trans-76.4140.4157-169-27.3000108.8D264D262-D264 PolarHBondContact OD1-N 3.04Å
263V94.1Very high95.1Very high1 Ų122.1 Ų22.11%0.00612%0.122CC..  trans-114.1-5.5-173.2-59.60000113.7I260 D265 F266 V267 A294 L297 I298I260-V263 HydrophobicContact CD1-CG1 3.92Å; I260-V263 HydrophobicContact CG1-CG1 3.83Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.06Å; V263-F266 CarbonylContact O-C 3.57Å; V263-F266 WeakPolarHBondContact O-CA 3.44Å; V263-F266 WeakPolarHBondContact O-CB 3.42Å; V263-F266 PolarHBondContact O-N 3.12Å; V263-V267 HydrophobicContact CG2-CG2 4.43Å; V263-V267 WeakPolarHBondContact O-CG2 3.35Å; V263-V267 PolarHBondContact O-N 3.42Å; V263-A294 HydrophobicContact CB-CB 4.39Å; V263-A294 HydrophobicContact CG1-CB 3.52Å; V263-A294 HydrophobicContact CG2-CB 3.96Å; V263-L297 HydrophobicContact CG2-CB 3.65Å; V263-L297 HydrophobicContact CG2-CD1 3.73Å; V263-L297 HydrophobicContact CG2-CG 4.33Å; V263-I298 HydrophobicContact CB-CG1 4.41Å; V263-I298 HydrophobicContact CG1-CD1 3.94Å; V263-I298 HydrophobicContact CG1-CG1 4.11Å
264D91.6Very high95Very high86 Ų8627.6 Ų27.646%0.4615%0.146SC..Hα-helixtrans-57-45.1-175.6-75.2-28.3000111.9D262 F266 V267 A268D262-D264 PolarHBondContact OD1-N 3.04Å; D264-F266 VanDerWaalsContact C-N 3.29Å; D264-F266 PolarHBondContact O-N 3.39Å; D264-V267 PolarHBondContact O-N 3.29Å; D264-A268 WeakPolarHBondContact O-CB 3.24Å; D264-A268 PolarHBondContact O-N 2.54Å
265D90.4Very high94.9Very high68 Ų6835.5 Ų35.536%0.36418%0.183SC..Hα-helixtrans-61.7-36.1174.2-78.2-13.8000112.8K177 V263 A269K177-D265 HydrophobicContact CD-CB 4.05Å; K177-D265 IonicContact NZ-OD2 2.88Å; K177-D265 PolarHBondContact NZ-OD2 3.5Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.06Å; D265-A269 WeakPolarHBondContact O-CB 3.43Å; D265-A269 PolarHBondContact O-N 2.77Å
266F94.9Very high94.7Very high5 Ų541.1 Ų41.12%0.02220%0.204CC..Hα-helixtrans-72.6-37.8179.5-74.2-88.7000111.2K177 I255 D257 I260 V263 D264 A269 A270 I283K177-F266 HydrophobicContact CD-CD1 3.76Å; K177-F266 HydrophobicContact CD-CD2 3.79Å; K177-F266 HydrophobicContact CD-CE1 3.66Å; K177-F266 HydrophobicContact CD-CE2 3.69Å; K177-F266 HydrophobicContact CD-CG 3.84Å; K177-F266 HydrophobicContact CD-CZ 3.63Å; I255-F266 HydrophobicContact CG2-CD1 4.18Å; I255-F266 HydrophobicContact CG2-CE1 4.13Å; D257-F266 HydrophobicContact CB-CE1 4Å; D257-F266 HydrophobicContact CB-CZ 3.8Å; I260-F266 HydrophobicContact CB-CE2 4.33Å; I260-F266 HydrophobicContact CB-CZ 4.32Å; I260-F266 HydrophobicContact CG1-CD2 4.19Å; I260-F266 HydrophobicContact CG1-CE2 4.02Å; I260-F266 HydrophobicContact CG1-CZ 4.37Å; V263-F266 CarbonylContact O-C 3.57Å; V263-F266 WeakPolarHBondContact O-CA 3.44Å; V263-F266 WeakPolarHBondContact O-CB 3.42Å; V263-F266 PolarHBondContact O-N 3.12Å; D264-F266 VanDerWaalsContact C-N 3.29Å; D264-F266 PolarHBondContact O-N 3.39Å; F266-A269 WeakPolarHBondContact O-CB 3.15Å; F266-A269 PolarHBondContact O-N 3.07Å; F266-A270 WeakPolarHBondContact O-CB 3.35Å; F266-A270 PolarHBondContact O-N 2.93Å; F266-I283 HydrophobicContact CB-CD1 3.86Å; F266-I283 HydrophobicContact CD1-CD1 3.72Å; F266-I283 HydrophobicContact CD1-CG1 4.3Å; F266-I283 HydrophobicContact CD1-CG2 3.97Å; F266-I283 HydrophobicContact CE1-CG2 3.87Å; F266-I283 HydrophobicContact CG-CD1 4.13Å
267V95.7Very high94.7Very high31 Ų3142.9 Ų42.919%0.18822%0.222CC..Hα-helixtrans-66.1-49.5174.6172.80000110V263 D264 A269 A270 E271 L297 I303V263-V267 HydrophobicContact CG2-CG2 4.43Å; V263-V267 WeakPolarHBondContact O-CG2 3.35Å; V263-V267 PolarHBondContact O-N 3.42Å; D264-V267 PolarHBondContact O-N 3.29Å; V267-A269 PolarHBondContact O-N 2.93Å; V267-A270 WeakPolarHBondContact O-CB 3.3Å; V267-A270 PolarHBondContact O-N 3.31Å; V267-A270 VanDerWaalsContact O-N 3.07Å; V267-E271 PolarHBondContact O-N 3.43Å; V267-L297 HydrophobicContact CG2-CB 4.47Å; V267-I303 HydrophobicContact CG2-CD1 4.29Å
268A93.3Very high94.7Very high25 Ų2542.4 Ų42.421%0.20722%0.22CC..Hα-helixtrans-61.1-36.417700000112.2A203 I242 D264 S272A203-A268 HydrophobicContact CB-CB 4.24Å; I242-A268 HydrophobicContact CD1-CB 3.62Å; D264-A268 WeakPolarHBondContact O-CB 3.24Å; D264-A268 PolarHBondContact O-N 2.54Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.43Å; A268-S272 VanDerWaalsContact O-N 3.11Å; A268-S272 PolarHBondContact O-OG 3.2Å
269A94.3Very high94.8Very high2 Ų247.6 Ų47.62%0.01724%0.24CC..Hα-helixtrans-62.4-46.1172.300000112.3M199 I255 D265 F266 V267 S272 L273M199-A269 VanDerWaalsContact CE-CA 3.42Å; M199-A269 HydrophobicContact CE-CB 3.67Å; M199-A269 HydrophobicContact SD-CB 3.36Å; M199-A269 WeakPolarHBondContact SD-CB 3.37Å; I255-A269 HydrophobicContact CD1-CB 4.06Å; D265-A269 WeakPolarHBondContact O-CB 3.43Å; D265-A269 PolarHBondContact O-N 2.77Å; F266-A269 WeakPolarHBondContact O-CB 3.15Å; F266-A269 PolarHBondContact O-N 3.07Å; V267-A269 PolarHBondContact O-N 2.93Å; A269-S272 PolarHBondContact O-N 3.38Å; A269-L273 VanDerWaalsContact O-CG 3.25Å; A269-L273 WeakPolarHBondContact O-CG 3.48Å; A269-L273 PolarHBondContact O-N 2.83Å
270A96.3Very high94.9Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-60.8-46.7178.400000112F266 V267 S272 L273 K274 I281 A302 I303F266-A270 WeakPolarHBondContact O-CB 3.35Å; F266-A270 PolarHBondContact O-N 2.93Å; V267-A270 WeakPolarHBondContact O-CB 3.3Å; V267-A270 PolarHBondContact O-N 3.31Å; V267-A270 VanDerWaalsContact O-N 3.07Å; A270-S272 PolarHBondContact O-N 3.24Å; A270-L273 PolarHBondContact O-N 2.89Å; A270-K274 WeakPolarHBondContact O-CB 3.43Å; A270-K274 PolarHBondContact O-N 3.28Å; A270-I281 HydrophobicContact CB-CD1 3.96Å; A270-I281 HydrophobicContact CB-CG2 3.98Å; A270-I281 WeakPolarHBondContact O-CD1 3.38Å; A270-A302 HydrophobicContact CB-CB 4.37Å; A270-I303 HydrophobicContact CB-CD1 4.38Å; A270-I303 HydrophobicContact CB-CG1 3.57Å
271E95.4Very high95Very high74 Ų7451 Ų5135%0.34626%0.255SS..Hα-helixtrans-61.2-44.5177.4-62.8-52.2144.800111.6V267 L273 K274 E275 A302V267-E271 PolarHBondContact O-N 3.43Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.02Å; E271-K274 WeakPolarHBondContact O-CB 3.24Å; E271-K274 PolarHBondContact O-N 3.41Å; E271-K274 VanDerWaalsContact O-N 3.13Å; E271-E275 WeakPolarHBondContact O-CG 3.44Å; E271-E275 PolarHBondContact O-N 3.15Å; E271-A302 WeakPolarHBondContact OE1-CB 3.4Å; E271-A302 PolarHBondContact OE1-N 3.48Å; E271-A302 VanDerWaalsContact OE1-N 3.11Å
272S94.8Very high95.2Very high19 Ų1950.3 Ų50.313%0.13325%0.25CS..Hα-helixtrans-61.8-34.7177.3-60.10000113.1A268 A269 A270 R276A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.43Å; A268-S272 VanDerWaalsContact O-N 3.11Å; A268-S272 PolarHBondContact O-OG 3.2Å; A269-S272 PolarHBondContact O-N 3.38Å; A270-S272 PolarHBondContact O-N 3.24Å; S272-R276 WeakPolarHBondContact O-CG 3.36Å; S272-R276 PolarHBondContact O-N 2.94Å
273L96.4Very high95.7Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-70.7-40.6175.4-71.3165000111.1V175 M199 V244 V248 A253 I255 A269 A270 E271 R276 G277 A278 I281V175-L273 HydrophobicContact CG1-CD1 4.26Å; V175-L273 HydrophobicContact CG1-CD2 4.16Å; V175-L273 HydrophobicContact CG2-CD1 4.36Å; V175-L273 HydrophobicContact CG2-CD2 4.03Å; M199-L273 HydrophobicContact SD-CD1 4.44Å; M199-L273 HydrophobicContact SD-CG 4.4Å; V244-L273 HydrophobicContact CG1-CD2 4.29Å; V244-L273 HydrophobicContact CG2-CD2 4.25Å; V248-L273 HydrophobicContact CB-CD2 4.31Å; V248-L273 HydrophobicContact CG1-CD2 3.93Å; V248-L273 HydrophobicContact CG2-CD2 4.3Å; A253-L273 HydrophobicContact CB-CB 4.45Å; A253-L273 HydrophobicContact CB-CD1 3.91Å; A253-L273 HydrophobicContact CB-CD2 4.23Å; A253-L273 HydrophobicContact CB-CG 4.43Å; I255-L273 HydrophobicContact CD1-CD1 3.79Å; I255-L273 HydrophobicContact CG1-CD1 3.87Å; A269-L273 VanDerWaalsContact O-CG 3.25Å; A269-L273 WeakPolarHBondContact O-CG 3.48Å; A269-L273 PolarHBondContact O-N 2.83Å; A270-L273 PolarHBondContact O-N 2.89Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.02Å; L273-R276 CarbonylContact O-C 3.52Å; L273-R276 PolarHBondContact O-N 3.2Å; L273-G277 PolarHBondContact O-N 3.17Å; L273-A278 HydrophobicContact CB-CB 4.11Å; L273-A278 VanDerWaalsContact O-CB 3.27Å; L273-A278 WeakPolarHBondContact O-CB 3.44Å; L273-A278 PolarHBondContact O-N 3.2Å; L273-I281 HydrophobicContact CB-CD1 4.24Å
274K96.3Very high95.9Very high115 Ų11545.8 Ų45.850%0.523%0.226SC..Hα-helixtrans-65.6-43.1178.3-169.7164.5177.81790112.2A270 E271 R276 G277 I281 A302A270-K274 WeakPolarHBondContact O-CB 3.43Å; A270-K274 PolarHBondContact O-N 3.28Å; E271-K274 WeakPolarHBondContact O-CB 3.24Å; E271-K274 PolarHBondContact O-N 3.41Å; E271-K274 VanDerWaalsContact O-N 3.13Å; K274-R276 PolarHBondContact O-N 3.34Å; K274-G277 PolarHBondContact O-N 3.36Å; K274-I281 HydrophobicContact CB-CD1 4.1Å; K274-A302 HydrophobicContact CD-CB 3.57Å
275E95.1Very high96.2Very high166 Ų16641.7 Ų41.778%0.77620%0.204SC*.Hα-helixtrans-58.6-30.4173.4-74178.9177.600112.5E271 G277E271-E275 WeakPolarHBondContact O-CG 3.44Å; E271-E275 PolarHBondContact O-N 3.15Å; E275-G277 VanDerWaalsContact C-N 3.28Å; E275-G277 PolarHBondContact O-N 2.85Å
276R95.4Very high96.5Very high117 Ų11738.6 Ų38.644%0.44219%0.187SC..THydrogen-bonded Turntrans-88.29.2176.1-68.9-178.8177.1-132.77.3114V244 V248 G249 S272 L273 K274V244-R276 PolarHBondContact O-NH1 3.32Å; V248-R276 HydrophobicContact CG2-CB 3.51Å; G249-R276 WeakPolarHBondContact CA-O 3.27Å; S272-R276 WeakPolarHBondContact O-CG 3.36Å; S272-R276 PolarHBondContact O-N 2.94Å; L273-R276 CarbonylContact O-C 3.52Å; L273-R276 PolarHBondContact O-N 3.2Å; K274-R276 PolarHBondContact O-N 3.34Å
277G96Very high96.7Very high37 Ų3738.5 Ų38.538%0.38119%0.187SC..THydrogen-bonded Turntrans88.715171.700000115.2G250 L273 K274 E275 Y279G250-G277 PolarHBondContact N-O 2.61Å; L273-G277 PolarHBondContact O-N 3.17Å; K274-G277 PolarHBondContact O-N 3.36Å; E275-G277 VanDerWaalsContact C-N 3.28Å; E275-G277 PolarHBondContact O-N 2.85Å; G277-Y279 PolarHBondContact O-N 3.39Å
278A97.9Very high96.8Very high5 Ų537 Ų374%0.04118%0.178CC..  trans-67.1126.3165.500000109R251 A253 L273R251-A278 WeakPolarHBondContact O-CA 3.35Å; A253-A278 HydrophobicContact CB-CB 3.93Å; L273-A278 HydrophobicContact CB-CB 4.11Å; L273-A278 VanDerWaalsContact O-CB 3.27Å; L273-A278 WeakPolarHBondContact O-CB 3.44Å; L273-A278 PolarHBondContact O-N 3.2Å
279Y97Very high96.9Very high111 Ų11137.3 Ų37.344%0.43518%0.176SC..SBendtrans-96.4-13.5-17470.7-89.1000113.6G250 R251 I252 G277G250-Y279 WeakPolarHBondContact O-CE1 3.45Å; R251-Y279 VanDerWaalsContact O-CD1 3.3Å; R251-Y279 WeakPolarHBondContact O-CD1 3.39Å; R251-Y279 PolarHBondContact O-N 3.48Å; I252-Y279 HydrophobicContact CG1-CE1 3.99Å; I252-Y279 HydrophobicContact CG1-CE2 4Å; I252-Y279 VanDerWaalsContact CG1-CZ 3.46Å; I252-Y279 WeakPolarHBondContact CG1-OH 3.34Å; G277-Y279 PolarHBondContact O-N 3.39Å
280K98.3Very high96.9Very high76 Ų7637.3 Ų37.333%0.3318%0.176SC..EExtended strand (participates in β ladder)trans-142.6140.8173.1-76.7-66.1-176.2175.60110.4I252 A253 Y282 D304I252-K280 HydrophobicContact CB-CB 4.39Å; I252-K280 HydrophobicContact CG1-CB 4.14Å; I252-K280 HydrophobicContact CG2-CB 3.98Å; A253-K280 PolarHBondContact N-O 3.07Å; K280-Y282 HydrophobicContact CB-CD2 4.49Å; K280-Y282 HydrophobicContact CB-CE2 3.89Å; K280-D304 VanDerWaalsContact CA-OD2 3.24Å; K280-D304 WeakPolarHBondContact CA-OD2 3.47Å; K280-D304 HydrophobicContact CD-CB 4.18Å; K280-D304 WeakPolarHBondContact CD-OD1 3.45Å; K280-D304 VanDerWaalsContact CD-OD2 3.29Å; K280-D304 WeakPolarHBondContact CD-OD2 3.24Å; K280-D304 IonicContact NZ-OD1 2.73Å; K280-D304 PolarHBondContact NZ-OD1 2.88Å
281I98.5Very high96.6Very high2 Ų239.7 Ų39.71%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-130.8116.9-176.7-59.8163.9000109.9A253 I255 A270 L273 K274 A302 D304 E305A253-I281 HydrophobicContact CB-CG1 4.44Å; A253-I281 WeakPolarHBondContact O-CA 3.28Å; I255-I281 HydrophobicContact CD1-CG2 4.26Å; A270-I281 HydrophobicContact CB-CD1 3.96Å; A270-I281 HydrophobicContact CB-CG2 3.98Å; A270-I281 WeakPolarHBondContact O-CD1 3.38Å; L273-I281 HydrophobicContact CB-CD1 4.24Å; K274-I281 HydrophobicContact CB-CD1 4.1Å; I281-A302 HydrophobicContact CD1-CB 4.26Å; I281-D304 PolarHBondContact N-OD2 2.61Å; I281-D304 WeakPolarHBondContact O-CB 3.24Å; I281-D304 PolarHBondContact O-N 2.82Å; I281-E305 PolarHBondContact O-N 2.78Å
282Y98.8Very high96.4Very high22 Ų2239.4 Ų39.49%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-112.3146.7176.1-65.6-99.7000109.9I166 I252 A253 I254 I255 K280 E305I166-Y282 HydrophobicContact CD1-CD1 3.7Å; I166-Y282 HydrophobicContact CD1-CD2 4.28Å; I166-Y282 HydrophobicContact CD1-CE1 4.04Å; I166-Y282 HydrophobicContact CD1-CG 3.86Å; I166-Y282 HydrophobicContact CG1-CD1 4.08Å; I166-Y282 HydrophobicContact CG1-CE1 3.93Å; I166-Y282 HydrophobicContact CG2-CD2 4.48Å; I166-Y282 HydrophobicContact CG2-CE1 4.41Å; I166-Y282 HydrophobicContact CG2-CE2 3.95Å; I252-Y282 HydrophobicContact CG2-CD2 3.47Å; I252-Y282 VanDerWaalsContact CG2-CD2 3.47Å; I252-Y282 HydrophobicContact CG2-CE2 3.55Å; A253-Y282 PolarHBondContact O-N 2.94Å; I254-Y282 CarbonylContact C-O 3.59Å; I254-Y282 WeakPolarHBondContact CA-O 3.3Å; I255-Y282 PolarHBondContact N-O 2.93Å; K280-Y282 HydrophobicContact CB-CD2 4.49Å; K280-Y282 HydrophobicContact CB-CE2 3.89Å; Y282-E305 CarbonylContact C-O 3.55Å; Y282-E305 WeakPolarHBondContact CA-O 3.35Å; Y282-E305 HydrophobicContact CD1-CB 3.68Å; Y282-E305 HydrophobicContact CD1-CG 4.49Å; Y282-E305 HydrophobicContact CE1-CB 3.81Å
283I98.5Very high96.3Very high0 Ų043.6 Ų43.60%022%0.22CC..EExtended strand (participates in β ladder)trans-116.6131169.3-59175.6000109I255 I260 F266 I303 E305 V306 V307I255-I283 HydrophobicContact CB-CG1 4.25Å; I255-I283 HydrophobicContact CD1-CG1 4.29Å; I255-I283 CarbonylContact O-C 3.43Å; I255-I283 WeakPolarHBondContact O-CA 3.36Å; I260-I283 HydrophobicContact CD1-CD1 4.5Å; I260-I283 HydrophobicContact CD1-CG2 4.34Å; F266-I283 HydrophobicContact CB-CD1 3.86Å; F266-I283 HydrophobicContact CD1-CD1 3.72Å; F266-I283 HydrophobicContact CD1-CG1 4.3Å; F266-I283 HydrophobicContact CD1-CG2 3.97Å; F266-I283 HydrophobicContact CE1-CG2 3.87Å; F266-I283 HydrophobicContact CG-CD1 4.13Å; I283-I303 HydrophobicContact CD1-CD1 3.43Å; I283-I303 VanDerWaalsContact CD1-CD1 3.43Å; I283-I303 HydrophobicContact CD1-CG1 3.92Å; I283-I303 HydrophobicContact CD1-CG2 4Å; I283-I303 HydrophobicContact CG1-CG2 4.14Å; I283-E305 PolarHBondContact N-O 3.07Å; I283-V306 HydrophobicContact CB-CG1 4.37Å; I283-V306 HydrophobicContact CB-CG2 4.2Å; I283-V306 HydrophobicContact CD1-CG2 4.13Å; I283-V306 HydrophobicContact CG1-CG2 4.48Å; I283-V307 PolarHBondContact O-N 3.27Å
284M98.3Very high96.2Very high0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-116.5120.5174.5-59.7-74155.800108Y161 I162 I166 I254 I255 V256 D257 V307Y161-M284 HydrophobicContact CD1-CE 4.14Å; Y161-M284 HydrophobicContact CE1-CE 4.47Å; I162-M284 HydrophobicContact CD1-CE 4.46Å; I162-M284 HydrophobicContact CD1-CG 4.11Å; I162-M284 HydrophobicContact CD1-SD 4.25Å; I162-M284 HydrophobicContact CG1-CE 3.76Å; I162-M284 HydrophobicContact CG1-CG 4.39Å; I162-M284 HydrophobicContact CG1-SD 3.97Å; I166-M284 HydrophobicContact CD1-CE 3.57Å; I254-M284 HydrophobicContact CG2-CE 4.3Å; I254-M284 HydrophobicContact CG2-CG 3.57Å; I255-M284 PolarHBondContact O-N 3.11Å; V256-M284 WeakPolarHBondContact CA-O 3.38Å; V256-M284 HydrophobicContact CG2-CB 4.23Å; D257-M284 PolarHBondContact N-O 3.25Å; M284-V307 HydrophobicContact CE-CB 3.99Å; M284-V307 HydrophobicContact CE-CG2 3.6Å; M284-V307 HydrophobicContact SD-CB 3.61Å; M284-V307 HydrophobicContact SD-CG1 4.05Å; M284-V307 HydrophobicContact SD-CG2 3.94Å
285A98.1Very high96.2Very high0 Ų038.2 Ų38.20%020%0.197CC..EExtended strand (participates in β ladder)trans-140.2147.3172.600000112.2D257 I260 V307 V308D257-A285 VanDerWaalsContact O-CA 3.28Å; D257-A285 WeakPolarHBondContact O-CA 3.22Å; I260-A285 HydrophobicContact CB-CB 4.22Å; I260-A285 HydrophobicContact CG2-CB 4.03Å; A285-V307 PolarHBondContact N-O 3.32Å; A285-V308 HydrophobicContact CB-CG1 4.28Å; A285-V308 VanDerWaalsContact O-CA 3.26Å; A285-V308 WeakPolarHBondContact O-CA 3.31Å
286T98.1Very high96.3Very high3 Ų335.4 Ų35.42%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-69-49.4175.3-57.20000110.3M134 D135 A154 D258 T309 T311M134-T286 HydrophobicContact CE-CG2 3.66Å; M134-T286 HydrophobicContact CG-CG2 4.32Å; D135-T286 HydrophobicContact CB-CG2 3.89Å; D135-T286 WeakPolarHBondContact OD2-CG2 3.33Å; D135-T286 PolarHBondContact OD2-OG1 3.32Å; A154-T286 HydrophobicContact CB-CG2 3.57Å; D258-T286 PolarHBondContact O-N 2.93Å; D258-T286 VanDerWaalsContact O-N 3.14Å; T286-T309 HydrophobicContact CG2-CG2 4.26Å; T286-T309 WeakPolarHBondContact O-CB 3.31Å; T286-T309 PolarHBondContact O-N 2.9Å; T286-T309 PolarHBondContact O-OG1 3.24Å; T286-T311 HydrophobicContact CG2-CG2 4.26Å; T286-T311 PolarHBondContact O-OG1 3.14Å
287H98.2Very high96.4Very high3 Ų331.9 Ų31.91%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-108.4111.2-172.7-51.3-62.6000112P98 Y99 M134 D135 D258 I259 I260 L289 T311P98-H287 PolarHBondContact O-CE1 3.28Å; Y99-H287 HydrophobicContact CD2-CB 3.95Å; Y99-H287 AromaticContact CD2-CD2 3.79Å; Y99-H287 AromaticContact CD2-CG 3.55Å; Y99-H287 AromaticContact CD2-ND1 3.77Å; Y99-H287 HydrophobicContact CE2-CB 4.49Å; Y99-H287 HydrophobicContact CG-CB 4.5Å; M134-H287 PolarHBondContact O-CE1 3.39Å; M134-H287 PolarHBondContact O-NE2 3.22Å; M134-H287 VanDerWaalsContact O-NE2 3.08Å; D135-H287 PolarHBondContact O-NE2 2.78Å; D258-H287 PolarHBondContact O-CD2 3.35Å; D258-H287 PolarHBondContact O-N 3.12Å; I259-H287 WeakPolarHBondContact CA-O 3.49Å; I259-H287 HydrophobicContact CB-CB 4.46Å; I259-H287 HydrophobicContact CG1-CB 3.95Å; I260-H287 PolarHBondContact N-O 3.27Å; H287-L289 HydrophobicContact CB-CD1 3.92Å; H287-L289 PolarHBondContact O-N 3.2Å; H287-T311 PolarHBondContact ND1-OG1 2.8Å
288G97.4Very high96.5Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-90.784.3172.100000112.3
289L96.1Very high96.4Very high32 Ų3233.4 Ų33.417%0.16817%0.168CC..  trans-74.8-43.7173.5-88.866.8000110.8Y99 I259 I260 D261 H287 S291 V312Y99-L289 HydrophobicContact CD1-CD1 4.08Å; Y99-L289 HydrophobicContact CD2-CD1 4.24Å; Y99-L289 HydrophobicContact CE1-CD1 3.82Å; Y99-L289 HydrophobicContact CE1-CD2 3.95Å; Y99-L289 HydrophobicContact CE1-CG 4.22Å; Y99-L289 HydrophobicContact CE2-CD1 4Å; Y99-L289 HydrophobicContact CG-CD1 4.29Å; Y99-L289 WeakPolarHBondContact OH-CD2 3.43Å; I259-L289 HydrophobicContact CG2-CD1 4.08Å; I259-L289 HydrophobicContact CG2-CD2 4.5Å; I260-L289 WeakPolarHBondContact O-CB 3.44Å; I260-L289 PolarHBondContact O-N 2.88Å; D261-L289 HydrophobicContact CB-CB 3.89Å; D261-L289 HydrophobicContact CB-CD2 4.21Å; H287-L289 HydrophobicContact CB-CD1 3.92Å; H287-L289 PolarHBondContact O-N 3.2Å; L289-S291 PolarHBondContact O-N 3.5Å; L289-V312 HydrophobicContact CD1-CG2 3.87Å
290L95Very high96.4Very high2 Ų234.2 Ų34.21%0.0118%0.176CC..  trans4759.9170.7-60.9162000111.5I260 A294 I298 H314 Q317 I324I260-L290 HydrophobicContact CD1-CD2 3.96Å; I260-L290 HydrophobicContact CG1-CD2 4.06Å; I260-L290 HydrophobicContact CG2-CD2 3.96Å; I260-L290 HydrophobicContact CG2-CG 4.26Å; I260-L290 PolarHBondContact O-N 2.86Å; I260-L290 VanDerWaalsContact O-N 3.12Å; L290-A294 HydrophobicContact CB-CB 4.32Å; L290-A294 HydrophobicContact CD2-CB 4.46Å; L290-I298 HydrophobicContact CD2-CD1 3.62Å; L290-H314 HydrophobicContact CD1-CB 4.21Å; L290-Q317 HydrophobicContact CB-CB 4.39Å; L290-Q317 HydrophobicContact CB-CG 3.91Å; L290-Q317 HydrophobicContact CD1-CB 4.2Å; L290-Q317 PolarHBondContact O-NE2 3.21Å; L290-I324 HydrophobicContact CD1-CD1 3.95Å; L290-I324 HydrophobicContact CD1-CG2 4.31Å
291S89.6Confident96.3Very high49 Ų4931.2 Ų31.234%0.34316%0.164SC..  trans-83.9161.8-172.966.50000112.2D261 L289 E293 A294D261-S291 PolarHBondContact O-N 3.02Å; D261-S291 VanDerWaalsContact O-N 3.13Å; D261-S291 WeakPolarHBondContact OD1-CB 3.13Å; D261-S291 PolarHBondContact OD1-OG 3.38Å; L289-S291 PolarHBondContact O-N 3.5Å; S291-E293 PolarHBondContact O-N 2.91Å; S291-A294 WeakPolarHBondContact O-CB 3.38Å; S291-A294 PolarHBondContact O-N 2.78Å; S291-A294 VanDerWaalsContact O-N 3.12Å
292A89.6Confident96.3Very high69 Ų6931.7 Ų31.757%0.5717%0.169SC*.THydrogen-bonded Turntrans51.9-125.2178.500000113A294A292-A294 VanDerWaalsContact C-N 3.26Å; A292-A294 PolarHBondContact O-N 2.95Å
293E93.1Very high96.3Very high106 Ų10630.7 Ų30.750%0.49517%0.165SC..THydrogen-bonded Turntrans-86.39.1-175.4-62.5-61.1126.400113.3S291 P295 R296 L297S291-E293 PolarHBondContact O-N 2.91Å; E293-P295 VanDerWaalsContact C-CD 3.49Å; E293-R296 PolarHBondContact O-N 2.8Å; E293-R296 IonicContact OE2-NE 3.91Å; E293-R296 PolarHBondContact OE2-NE 2.71Å; E293-R296 VanDerWaalsContact OE2-NE 3.07Å; E293-L297 HydrophobicContact CB-CD1 4.32Å; E293-L297 HydrophobicContact CB-CG 4.35Å; E293-L297 PolarHBondContact O-N 2.71Å
294A95.4Very high96.2Very high2 Ų233.2 Ų33.22%0.01718%0.178CC..Hα-helixtrans-50-46.6-174.400000114.4V263 L290 S291 A292 R296 L297 I298V263-A294 HydrophobicContact CB-CB 4.39Å; V263-A294 HydrophobicContact CG1-CB 3.52Å; V263-A294 HydrophobicContact CG2-CB 3.96Å; L290-A294 HydrophobicContact CB-CB 4.32Å; L290-A294 HydrophobicContact CD2-CB 4.46Å; S291-A294 WeakPolarHBondContact O-CB 3.38Å; S291-A294 PolarHBondContact O-N 2.78Å; S291-A294 VanDerWaalsContact O-N 3.12Å; A292-A294 VanDerWaalsContact C-N 3.26Å; A292-A294 PolarHBondContact O-N 2.95Å; A294-R296 VanDerWaalsContact C-N 3.34Å; A294-R296 PolarHBondContact O-N 3.01Å; A294-L297 PolarHBondContact O-N 3.05Å; A294-I298 WeakPolarHBondContact O-CD1 3.19Å; A294-I298 VanDerWaalsContact O-CG1 3.24Å; A294-I298 WeakPolarHBondContact O-CG1 3.43Å; A294-I298 PolarHBondContact O-N 2.97Å
295P96.5Very high96.3Very high1 Ų134.9 Ų34.91%0.00619%0.186CC..Hα-helixtrans-61.8-40.6179.8-24.136.7000112.9E293 I298 D299 Q317 Q320 C321 I324E293-P295 VanDerWaalsContact C-CD 3.49Å; P295-I298 PolarHBondContact O-N 2.91Å; P295-D299 PolarHBondContact O-N 3.14Å; P295-D299 VanDerWaalsContact O-N 3.07Å; P295-Q317 HydrophobicContact CB-CB 4.44Å; P295-Q317 HydrophobicContact CG-CB 3.62Å; P295-Q317 HydrophobicContact CG-CG 3.58Å; P295-Q320 HydrophobicContact CB-CB 3.81Å; P295-C321 HydrophobicContact CB-CB 3.84Å; P295-C321 WeakPolarHBondContact O-CB 3.42Å; P295-I324 HydrophobicContact CB-CD1 4.39Å
296R96.6Very high96.3Very high107 Ų10734.9 Ų34.940%0.40419%0.186SC..Hα-helixtrans-66.1-46.1179.4-172.4-177.468.375.26.7111.1E293 A294 I298 D299 E300E293-R296 PolarHBondContact O-N 2.8Å; E293-R296 IonicContact OE2-NE 3.91Å; E293-R296 PolarHBondContact OE2-NE 2.71Å; E293-R296 VanDerWaalsContact OE2-NE 3.07Å; A294-R296 VanDerWaalsContact C-N 3.34Å; A294-R296 PolarHBondContact O-N 3.01Å; R296-I298 VanDerWaalsContact C-N 3.34Å; R296-I298 PolarHBondContact O-N 2.82Å; R296-D299 PolarHBondContact O-N 3.24Å; R296-E300 WeakPolarHBondContact CG-OE1 3.39Å; R296-E300 IonicContact CZ-OE1 3.51Å; R296-E300 IonicContact CZ-OE2 2.57Å; R296-E300 IonicContact NH1-OE1 2.71Å; R296-E300 PolarHBondContact NH1-OE1 2.8Å; R296-E300 IonicContact NH1-OE2 2.82Å; R296-E300 PolarHBondContact NH1-OE2 3.04Å; R296-E300 WeakPolarHBondContact O-CG 3.24Å; R296-E300 PolarHBondContact O-N 3.02Å
297L96.9Very high96.3Very high43 Ų4334.8 Ų34.823%0.22519%0.185CC..Hα-helixtrans-63.6-38.8178.6-67.1174.8000112.1V263 V267 E293 A294 S301V263-L297 HydrophobicContact CG2-CB 3.65Å; V263-L297 HydrophobicContact CG2-CD1 3.73Å; V263-L297 HydrophobicContact CG2-CG 4.33Å; V267-L297 HydrophobicContact CG2-CB 4.47Å; E293-L297 HydrophobicContact CB-CD1 4.32Å; E293-L297 HydrophobicContact CB-CG 4.35Å; E293-L297 PolarHBondContact O-N 2.71Å; A294-L297 PolarHBondContact O-N 3.05Å; L297-S301 VanDerWaalsContact O-CB 3.24Å; L297-S301 WeakPolarHBondContact O-CB 3.37Å; L297-S301 PolarHBondContact O-N 3.25Å; L297-S301 VanDerWaalsContact O-N 3.1Å; L297-S301 PolarHBondContact O-OG 3.11Å
298I97.7Very high96.3Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-61.8-44.8173.5-69.9162.9000110.6I260 V263 L290 A294 P295 R296 E300 S301 V306 K323I260-I298 HydrophobicContact CD1-CD1 4.15Å; V263-I298 HydrophobicContact CB-CG1 4.41Å; V263-I298 HydrophobicContact CG1-CD1 3.94Å; V263-I298 HydrophobicContact CG1-CG1 4.11Å; L290-I298 HydrophobicContact CD2-CD1 3.62Å; A294-I298 WeakPolarHBondContact O-CD1 3.19Å; A294-I298 VanDerWaalsContact O-CG1 3.24Å; A294-I298 WeakPolarHBondContact O-CG1 3.43Å; A294-I298 PolarHBondContact O-N 2.97Å; P295-I298 PolarHBondContact O-N 2.91Å; R296-I298 VanDerWaalsContact C-N 3.34Å; R296-I298 PolarHBondContact O-N 2.82Å; I298-E300 PolarHBondContact O-N 3.2Å; I298-S301 PolarHBondContact O-N 3.19Å; I298-S301 PolarHBondContact O-OG 3.32Å; I298-V306 HydrophobicContact CD1-CG2 4.13Å; I298-V306 HydrophobicContact CG1-CG2 4.32Å; I298-V306 HydrophobicContact CG2-CG2 3.55Å; I298-K323 HydrophobicContact CG2-CB 4.33Å; I298-K323 HydrophobicContact CG2-CD 4.29Å; I298-K323 PolarHBondContact O-NZ 3.21Å
299D96.8Very high96.4Very high73 Ų7334.6 Ų34.639%0.3919%0.185SC..Hα-helixtrans-63.9-41.3-178.2-159.650000112.3P295 R296 S301 C321 K323P295-D299 PolarHBondContact O-N 3.14Å; P295-D299 VanDerWaalsContact O-N 3.07Å; R296-D299 PolarHBondContact O-N 3.24Å; D299-S301 VanDerWaalsContact C-N 3.34Å; D299-S301 PolarHBondContact O-N 3.3Å; D299-C321 HydrophobicContact CB-CB 4.49Å; D299-K323 WeakPolarHBondContact O-CE 3.42Å; D299-K323 PolarHBondContact O-NZ 3.44Å
300E96.8Very high96.5Very high128 Ų12833.9 Ų33.960%0.59818%0.181SC*.Hα-helixtrans-76.1-17.2179.5-68.8171.6-169.600113.9R296 I298R296-E300 WeakPolarHBondContact CG-OE1 3.39Å; R296-E300 IonicContact CZ-OE1 3.51Å; R296-E300 IonicContact CZ-OE2 2.57Å; R296-E300 IonicContact NH1-OE1 2.71Å; R296-E300 PolarHBondContact NH1-OE1 2.8Å; R296-E300 IonicContact NH1-OE2 2.82Å; R296-E300 PolarHBondContact NH1-OE2 3.04Å; R296-E300 WeakPolarHBondContact O-CG 3.24Å; R296-E300 PolarHBondContact O-N 3.02Å; I298-E300 PolarHBondContact O-N 3.2Å
301S97.3Very high96.6Very high14 Ų1433.8 Ų33.810%0.09818%0.18CC..SBendtrans-83.6171.7-175.373.50000115.2L297 I298 D299 I303 K323L297-S301 VanDerWaalsContact O-CB 3.24Å; L297-S301 WeakPolarHBondContact O-CB 3.37Å; L297-S301 PolarHBondContact O-N 3.25Å; L297-S301 VanDerWaalsContact O-N 3.1Å; L297-S301 PolarHBondContact O-OG 3.11Å; I298-S301 PolarHBondContact O-N 3.19Å; I298-S301 PolarHBondContact O-OG 3.32Å; D299-S301 VanDerWaalsContact C-N 3.34Å; D299-S301 PolarHBondContact O-N 3.3Å; S301-I303 PolarHBondContact O-N 3.1Å; S301-I303 WeakPolarHBondContact OG-CB 3.46Å; S301-I303 WeakPolarHBondContact OG-CD1 3.35Å; S301-I303 WeakPolarHBondContact OG-CG1 3.45Å; S301-I303 PolarHBondContact OG-N 3.48Å; S301-K323 PolarHBondContact O-NZ 2.92Å
302A97Very high96.9Very high12 Ų1231.8 Ų31.810%0.09917%0.166CC..SBendtrans-64.3-6.1168.600000116.1A270 E271 K274 I281 D304A270-A302 HydrophobicContact CB-CB 4.37Å; E271-A302 WeakPolarHBondContact OE1-CB 3.4Å; E271-A302 PolarHBondContact OE1-N 3.48Å; E271-A302 VanDerWaalsContact OE1-N 3.11Å; K274-A302 HydrophobicContact CD-CB 3.57Å; I281-A302 HydrophobicContact CD1-CB 4.26Å; A302-D304 PolarHBondContact O-N 3.46Å
303I98.4Very high97.2Very high1 Ų130.2 Ų30.21%0.00515%0.15CC..  trans-67.5131.1178.7-59.4159.5000109.1V267 A270 I283 S301 V306 K323V267-I303 HydrophobicContact CG2-CD1 4.29Å; A270-I303 HydrophobicContact CB-CD1 4.38Å; A270-I303 HydrophobicContact CB-CG1 3.57Å; I283-I303 HydrophobicContact CD1-CD1 3.43Å; I283-I303 VanDerWaalsContact CD1-CD1 3.43Å; I283-I303 HydrophobicContact CD1-CG1 3.92Å; I283-I303 HydrophobicContact CD1-CG2 4Å; I283-I303 HydrophobicContact CG1-CG2 4.14Å; S301-I303 PolarHBondContact O-N 3.1Å; S301-I303 WeakPolarHBondContact OG-CB 3.46Å; S301-I303 WeakPolarHBondContact OG-CD1 3.35Å; S301-I303 WeakPolarHBondContact OG-CG1 3.45Å; S301-I303 PolarHBondContact OG-N 3.48Å; I303-V306 HydrophobicContact CG2-CG2 3.69Å; I303-K323 VanDerWaalsContact O-CD 3.27Å; I303-K323 WeakPolarHBondContact O-CD 3.41Å; I303-K323 WeakPolarHBondContact O-CE 3.35Å; I303-K323 PolarHBondContact O-NZ 2.97Å
304D98.4Very high97.3Very high52 Ų5225.3 Ų25.328%0.27813%0.127SC..  trans-84.9-42.3177.6-68.7-89.2000111.8K280 I281 A302K280-D304 VanDerWaalsContact CA-OD2 3.24Å; K280-D304 WeakPolarHBondContact CA-OD2 3.47Å; K280-D304 HydrophobicContact CD-CB 4.18Å; K280-D304 WeakPolarHBondContact CD-OD1 3.45Å; K280-D304 VanDerWaalsContact CD-OD2 3.29Å; K280-D304 WeakPolarHBondContact CD-OD2 3.24Å; K280-D304 IonicContact NZ-OD1 2.73Å; K280-D304 PolarHBondContact NZ-OD1 2.88Å; I281-D304 PolarHBondContact N-OD2 2.61Å; I281-D304 WeakPolarHBondContact O-CB 3.24Å; I281-D304 PolarHBondContact O-N 2.82Å; A302-D304 PolarHBondContact O-N 3.46Å
305E98.6Very high97.2Very high36 Ų3629.8 Ų29.817%0.16815%0.147CC..EExtended strand (participates in β ladder)trans-152.9141.9-176.5-164.9171.886.200112Y161 I281 Y282 I283 V307 K323 K325Y161-E305 PolarHBondContact OH-OE1 3.13Å; Y161-E305 VanDerWaalsContact OH-OE1 3.04Å; I281-E305 PolarHBondContact O-N 2.78Å; Y282-E305 CarbonylContact C-O 3.55Å; Y282-E305 WeakPolarHBondContact CA-O 3.35Å; Y282-E305 HydrophobicContact CD1-CB 3.68Å; Y282-E305 HydrophobicContact CD1-CG 4.49Å; Y282-E305 HydrophobicContact CE1-CB 3.81Å; I283-E305 PolarHBondContact N-O 3.07Å; E305-V307 HydrophobicContact CG-CG2 4.18Å; E305-K323 WeakPolarHBondContact CG-O 3.28Å; E305-K325 HydrophobicContact CG-CG 3.72Å
306V98.7Very high97Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-120.2115.3176178.60000108.6I260 I283 I298 I303 V308 K323 I324 K325I260-V306 HydrophobicContact CD1-CG1 3.88Å; I283-V306 HydrophobicContact CB-CG1 4.37Å; I283-V306 HydrophobicContact CB-CG2 4.2Å; I283-V306 HydrophobicContact CD1-CG2 4.13Å; I283-V306 HydrophobicContact CG1-CG2 4.48Å; I298-V306 HydrophobicContact CD1-CG2 4.13Å; I298-V306 HydrophobicContact CG1-CG2 4.32Å; I298-V306 HydrophobicContact CG2-CG2 3.55Å; I303-V306 HydrophobicContact CG2-CG2 3.69Å; V306-V308 HydrophobicContact CG1-CG1 4.16Å; V306-K323 PolarHBondContact N-O 2.99Å; V306-I324 HydrophobicContact CB-CG1 4.43Å; V306-I324 CarbonylContact O-C 3.59Å; V306-I324 VanDerWaalsContact O-CA 3.32Å; V306-I324 WeakPolarHBondContact O-CA 3.48Å; V306-K325 PolarHBondContact O-N 3Å
307V98.7Very high96.9Very high0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-108.4115.8-177.4-1730000108.8L158 Y161 I283 M284 A285 E305 K325 V327L158-V307 HydrophobicContact CD2-CG1 4.07Å; Y161-V307 HydrophobicContact CD1-CB 4.41Å; Y161-V307 HydrophobicContact CD1-CG1 3.82Å; Y161-V307 HydrophobicContact CD1-CG2 3.87Å; Y161-V307 HydrophobicContact CD2-CG1 4.29Å; Y161-V307 HydrophobicContact CE1-CB 4.26Å; Y161-V307 HydrophobicContact CE1-CG1 3.92Å; Y161-V307 HydrophobicContact CE1-CG2 3.34Å; Y161-V307 HydrophobicContact CE2-CG1 4.38Å; Y161-V307 HydrophobicContact CG-CG1 4.02Å; I283-V307 PolarHBondContact O-N 3.27Å; M284-V307 HydrophobicContact CE-CB 3.99Å; M284-V307 HydrophobicContact CE-CG2 3.6Å; M284-V307 HydrophobicContact SD-CB 3.61Å; M284-V307 HydrophobicContact SD-CG1 4.05Å; M284-V307 HydrophobicContact SD-CG2 3.94Å; A285-V307 PolarHBondContact N-O 3.32Å; E305-V307 HydrophobicContact CG-CG2 4.18Å; V307-K325 WeakPolarHBondContact CA-O 3.39Å; V307-K325 HydrophobicContact CG2-CB 4.35Å; V307-V327 HydrophobicContact CG1-CG2 3.63Å
308V98.6Very high96.8Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-124.7160.6178.2-66.80000111.5I260 A285 V306 H314 I324 K325 T326 V327I260-V308 HydrophobicContact CG2-CG1 3.54Å; A285-V308 HydrophobicContact CB-CG1 4.28Å; A285-V308 VanDerWaalsContact O-CA 3.26Å; A285-V308 WeakPolarHBondContact O-CA 3.31Å; V306-V308 HydrophobicContact CG1-CG1 4.16Å; V308-H314 WeakPolarHBondContact CG2-NE2 3.25Å; V308-I324 HydrophobicContact CG2-CG2 4.1Å; V308-K325 PolarHBondContact N-O 2.87Å; V308-T326 CarbonylContact O-C 3.57Å; V308-T326 VanDerWaalsContact O-CA 3.23Å; V308-T326 WeakPolarHBondContact O-CA 3.13Å; V308-V327 PolarHBondContact O-N 2.95Å
309T98.6Very high96.6Very high0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-87.8162.4171.576.10000112M134 A154 L158 T286 T311 H314 V327 V329M134-T309 HydrophobicContact CE-CG2 4.46Å; A154-T309 HydrophobicContact CB-CG2 3.73Å; L158-T309 HydrophobicContact CD2-CG2 4.32Å; T286-T309 HydrophobicContact CG2-CG2 4.26Å; T286-T309 WeakPolarHBondContact O-CB 3.31Å; T286-T309 PolarHBondContact O-N 2.9Å; T286-T309 PolarHBondContact O-OG1 3.24Å; T309-T311 PolarHBondContact O-N 3.11Å; T309-T311 VanDerWaalsContact O-N 3.08Å; T309-T311 WeakPolarHBondContact OG1-CG2 3.47Å; T309-T311 PolarHBondContact OG1-N 2.79Å; T309-T311 PolarHBondContact OG1-OG1 2.85Å; T309-T311 VanDerWaalsContact OG1-OG1 3.07Å; T309-H314 PolarHBondContact O-CE1 2.84Å; T309-H314 VanDerWaalsContact O-CE1 3.26Å; T309-V327 VanDerWaalsContact CA-O 3.25Å; T309-V327 WeakPolarHBondContact CA-O 3.46Å; T309-V329 HydrophobicContact CG2-CG1 3.71Å
310N97.5Very high96.6Very high17 Ų1740.8 Ų40.89%0.09121%0.209CC..BIsolated β-bridgetrans-76.225.6171.264.5-14.7000114.9V312 T326 V327 D328 V329N310-V312 VanDerWaalsContact C-N 3.25Å; N310-V312 PolarHBondContact O-N 3.45Å; N310-T326 HydrophobicContact CB-CG2 3.74Å; N310-V327 PolarHBondContact N-O 2.85Å; N310-V327 VanDerWaalsContact N-O 3.09Å; N310-V327 PolarHBondContact OD1-O 3.35Å; N310-D328 PolarHBondContact ND2-OD1 2.9Å; N310-V329 WeakPolarHBondContact OD1-CG2 3.27Å; N310-V329 PolarHBondContact OD1-N 2.84Å
311T97.9Very high96.6Very high0 Ų034.7 Ų34.70%018%0.181CC..THydrogen-bonded Turntrans-61.9-31.6172.645.20000114P98 M134 T286 H287 T309 V329P98-T311 HydrophobicContact CB-CG2 3.8Å; M134-T311 HydrophobicContact CE-CG2 2.98Å; T286-T311 HydrophobicContact CG2-CG2 4.26Å; T286-T311 PolarHBondContact O-OG1 3.14Å; H287-T311 PolarHBondContact ND1-OG1 2.8Å; T309-T311 PolarHBondContact O-N 3.11Å; T309-T311 VanDerWaalsContact O-N 3.08Å; T309-T311 WeakPolarHBondContact OG1-CG2 3.47Å; T309-T311 PolarHBondContact OG1-N 2.79Å; T309-T311 PolarHBondContact OG1-OG1 2.85Å; T309-T311 VanDerWaalsContact OG1-OG1 3.07Å; T311-V329 HydrophobicContact CG2-CG2 4.15Å
312V96.8Very high96.5Very high7 Ų738.2 Ų38.24%0.04220%0.203CC..SBendtrans-122.3135.5176.31770000107.5Y99 L289 N310 H314Y99-V312 VanDerWaalsContact CB-CG2 3.49Å; Y99-V312 HydrophobicContact CD1-CG2 3.76Å; Y99-V312 HydrophobicContact CG-CG2 3.73Å; L289-V312 HydrophobicContact CD1-CG2 3.87Å; N310-V312 VanDerWaalsContact C-N 3.25Å; N310-V312 PolarHBondContact O-N 3.45Å; V312-H314 PolarHBondContact O-CE1 3.43Å; V312-H314 PolarHBondContact O-N 2.94Å; V312-H314 PolarHBondContact O-ND1 3.32Å
313P95.3Very high96.6Very high36 Ų3639.7 Ų39.723%0.23421%0.207CC..  trans-68.3126.4177.5-18.232.1000111.1C19C19-P313 HydrophobicContact CB-CG 4.21Å
314H95.2Very high96.6Very high2 Ų239.9 Ų39.91%0.00921%0.209CC..  trans-142.631-17655.3-89.9000113.6L290 V308 T309 V312 V316 Q317 K318 T326L290-H314 HydrophobicContact CD1-CB 4.21Å; V308-H314 WeakPolarHBondContact CG2-NE2 3.25Å; T309-H314 PolarHBondContact O-CE1 2.84Å; T309-H314 VanDerWaalsContact O-CE1 3.26Å; V312-H314 PolarHBondContact O-CE1 3.43Å; V312-H314 PolarHBondContact O-N 2.94Å; V312-H314 PolarHBondContact O-ND1 3.32Å; H314-V316 VanDerWaalsContact C-N 3.32Å; H314-V316 PolarHBondContact O-N 3.03Å; H314-Q317 VanDerWaalsContact C-OE1 3.3Å; H314-Q317 HydrophobicContact CB-CB 4.31Å; H314-Q317 PolarHBondContact O-N 3.37Å; H314-Q317 PolarHBondContact O-OE1 2.85Å; H314-K318 VanDerWaalsContact CD2-CD 3.49Å; H314-K318 WeakPolarHBondContact CD2-CD 3.48Å; H314-K318 PolarHBondContact O-N 3.42Å; H314-K318 VanDerWaalsContact O-N 3.08Å; H314-T326 PolarHBondContact NE2-OG1 3.46Å
315E92.4Very high96.6Very high96 Ų9641.4 Ų41.445%0.44921%0.213SC..Hα-helixtrans-65-33.6-178.1-61.6-55.3148.700112.9K318 L319E315-K318 PolarHBondContact O-N 3.31Å; E315-K318 IonicContact OE1-NZ 2.83Å; E315-K318 PolarHBondContact OE1-NZ 2.97Å; E315-K318 IonicContact OE2-NZ 3.18Å; E315-K318 PolarHBondContact OE2-NZ 3.42Å; E315-L319 WeakPolarHBondContact O-CG 3.1Å; E315-L319 PolarHBondContact O-N 3.05Å; E315-L319 VanDerWaalsContact O-N 3.15Å
316V93.3Very high96.6Very high93 Ų9341.7 Ų41.756%0.56422%0.217SC*.Hα-helixtrans-65.7-42.7175.6177.90000110.6H314 K318 L319 Q320H314-V316 VanDerWaalsContact C-N 3.32Å; H314-V316 PolarHBondContact O-N 3.03Å; V316-K318 VanDerWaalsContact C-N 3.34Å; V316-K318 PolarHBondContact O-N 2.81Å; V316-L319 WeakPolarHBondContact O-CB 3.07Å; V316-L319 PolarHBondContact O-N 3.47Å; V316-Q320 WeakPolarHBondContact O-CG 3.47Å; V316-Q320 PolarHBondContact O-N 3.27Å; V316-Q320 VanDerWaalsContact O-N 3.16Å
317Q94.8Very high96.5Very high37 Ų3742.4 Ų42.417%0.17322%0.222CC..Hα-helixtrans-64.2-39.1178.9-66.291.6-35.100111.6L290 P295 H314 L319 Q320 C321 I324L290-Q317 HydrophobicContact CB-CB 4.39Å; L290-Q317 HydrophobicContact CB-CG 3.91Å; L290-Q317 HydrophobicContact CD1-CB 4.2Å; L290-Q317 PolarHBondContact O-NE2 3.21Å; P295-Q317 HydrophobicContact CB-CB 4.44Å; P295-Q317 HydrophobicContact CG-CB 3.62Å; P295-Q317 HydrophobicContact CG-CG 3.58Å; H314-Q317 VanDerWaalsContact C-OE1 3.3Å; H314-Q317 HydrophobicContact CB-CB 4.31Å; H314-Q317 PolarHBondContact O-N 3.37Å; H314-Q317 PolarHBondContact O-OE1 2.85Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-L319 PolarHBondContact O-N 3.15Å; Q317-Q320 PolarHBondContact O-N 3.03Å; Q317-Q320 VanDerWaalsContact O-N 3.15Å; Q317-C321 PolarHBondContact O-N 3Å; Q317-I324 HydrophobicContact CB-CD1 4.17Å
318K94.4Very high96.5Very high60 Ų6044.4 Ų44.426%0.26123%0.232SC..Hα-helixtrans-65.1-35.1174.5-73.9163.267.8-168.70113.5H314 E315 V316 Q320 C321 I324 T326H314-K318 VanDerWaalsContact CD2-CD 3.49Å; H314-K318 WeakPolarHBondContact CD2-CD 3.48Å; H314-K318 PolarHBondContact O-N 3.42Å; H314-K318 VanDerWaalsContact O-N 3.08Å; E315-K318 PolarHBondContact O-N 3.31Å; E315-K318 IonicContact OE1-NZ 2.83Å; E315-K318 PolarHBondContact OE1-NZ 2.97Å; E315-K318 IonicContact OE2-NZ 3.18Å; E315-K318 PolarHBondContact OE2-NZ 3.42Å; V316-K318 VanDerWaalsContact C-N 3.34Å; V316-K318 PolarHBondContact O-N 2.81Å; K318-Q320 PolarHBondContact O-N 2.87Å; K318-C321 CarbonylContact O-C 3.48Å; K318-I324 HydrophobicContact CG-CB 4.04Å; K318-I324 HydrophobicContact CG-CG2 3.7Å; K318-T326 VanDerWaalsContact CD-OG1 3.25Å; K318-T326 WeakPolarHBondContact CD-OG1 3.4Å; K318-T326 VanDerWaalsContact CE-OG1 3.27Å; K318-T326 WeakPolarHBondContact CE-OG1 3.22Å; K318-T326 PolarHBondContact NZ-OG1 3.31Å
319L94.4Very high96.4Very high153 Ų15344.4 Ų44.480%0.80123%0.232SC*.Hα-helixtrans-66.7-31.2173.9-70.7171000111.7E315 V316 Q317E315-L319 WeakPolarHBondContact O-CG 3.1Å; E315-L319 PolarHBondContact O-N 3.05Å; E315-L319 VanDerWaalsContact O-N 3.15Å; V316-L319 WeakPolarHBondContact O-CB 3.07Å; V316-L319 PolarHBondContact O-N 3.47Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-L319 PolarHBondContact O-N 3.15Å
320Q95.4Very high96.4Very high113 Ų11344.4 Ų44.453%0.52823%0.232SC..Hα-helixtrans-80.9-30.8177.9-68.7173.9-7.900113.2P295 V316 Q317 K318P295-Q320 HydrophobicContact CB-CB 3.81Å; V316-Q320 WeakPolarHBondContact O-CG 3.47Å; V316-Q320 PolarHBondContact O-N 3.27Å; V316-Q320 VanDerWaalsContact O-N 3.16Å; Q317-Q320 PolarHBondContact O-N 3.03Å; Q317-Q320 VanDerWaalsContact O-N 3.15Å; K318-Q320 PolarHBondContact O-N 2.87Å
321C96.8Very high96.3Very high0 Ų048 Ų480%025%0.251CS..  trans-135.8107.5-177.4-177.60000111.4P295 D299 Q317 K318 K323 I324P295-C321 HydrophobicContact CB-CB 3.84Å; P295-C321 WeakPolarHBondContact O-CB 3.42Å; D299-C321 HydrophobicContact CB-CB 4.49Å; Q317-C321 PolarHBondContact O-N 3Å; K318-C321 CarbonylContact O-C 3.48Å; C321-K323 PolarHBondContact O-N 3.13Å; C321-I324 HydrophobicContact CB-CD1 3.75Å; C321-I324 HydrophobicContact CB-CG1 4.06Å; C321-I324 PolarHBondContact O-N 3.07Å; C321-I324 VanDerWaalsContact O-N 3.16Å
322P96.4Very high96.2Very high88 Ų8848.4 Ų48.457%0.57125%0.253SS*.THydrogen-bonded Turntrans-70.5-13.8-177.629.4-35.3000113.7I324 K325P322-I324 PolarHBondContact O-N 2.96Å; P322-K325 PolarHBondContact O-NZ 3.35Å
323K98Very high96.2Very high42 Ų4248.1 Ų48.118%0.18325%0.251CS..THydrogen-bonded Turntrans-69.1-15.4173.3-55.6-175.8-176.1175.90112.6I298 D299 S301 I303 E305 V306 C321I298-K323 HydrophobicContact CG2-CB 4.33Å; I298-K323 HydrophobicContact CG2-CD 4.29Å; I298-K323 PolarHBondContact O-NZ 3.21Å; D299-K323 WeakPolarHBondContact O-CE 3.42Å; D299-K323 PolarHBondContact O-NZ 3.44Å; S301-K323 PolarHBondContact O-NZ 2.92Å; I303-K323 VanDerWaalsContact O-CD 3.27Å; I303-K323 WeakPolarHBondContact O-CD 3.41Å; I303-K323 WeakPolarHBondContact O-CE 3.35Å; I303-K323 PolarHBondContact O-NZ 2.97Å; E305-K323 WeakPolarHBondContact CG-O 3.28Å; V306-K323 PolarHBondContact N-O 2.99Å; C321-K323 PolarHBondContact O-N 3.13Å
324I98.4Very high96.3Very high6 Ų646.6 Ų46.63%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-82.5118.5178.9-58.5168.7000109.8L290 P295 V306 V308 Q317 K318 C321 P322L290-I324 HydrophobicContact CD1-CD1 3.95Å; L290-I324 HydrophobicContact CD1-CG2 4.31Å; P295-I324 HydrophobicContact CB-CD1 4.39Å; V306-I324 HydrophobicContact CB-CG1 4.43Å; V306-I324 CarbonylContact O-C 3.59Å; V306-I324 VanDerWaalsContact O-CA 3.32Å; V306-I324 WeakPolarHBondContact O-CA 3.48Å; V308-I324 HydrophobicContact CG2-CG2 4.1Å; Q317-I324 HydrophobicContact CB-CD1 4.17Å; K318-I324 HydrophobicContact CG-CB 4.04Å; K318-I324 HydrophobicContact CG-CG2 3.7Å; C321-I324 HydrophobicContact CB-CD1 3.75Å; C321-I324 HydrophobicContact CB-CG1 4.06Å; C321-I324 PolarHBondContact O-N 3.07Å; C321-I324 VanDerWaalsContact O-N 3.16Å; P322-I324 PolarHBondContact O-N 2.96Å
325K98.3Very high96.3Very high83 Ų8348.8 Ų48.836%0.36125%0.252SS..EExtended strand (participates in β ladder)trans-110.6146.1173.8-56.7-57.3-175.8-161.30110.4E305 V306 V307 V308 P322E305-K325 HydrophobicContact CG-CG 3.72Å; V306-K325 PolarHBondContact O-N 3Å; V307-K325 WeakPolarHBondContact CA-O 3.39Å; V307-K325 HydrophobicContact CG2-CB 4.35Å; V308-K325 PolarHBondContact N-O 2.87Å; P322-K325 PolarHBondContact O-NZ 3.35Å
326T98.2Very high96.6Very high43 Ų4344.2 Ų44.226%0.26423%0.231SC..EExtended strand (participates in β ladder)trans-117127.4-177.3-46.40000111.2V308 N310 H314 K318V308-T326 CarbonylContact O-C 3.57Å; V308-T326 VanDerWaalsContact O-CA 3.23Å; V308-T326 WeakPolarHBondContact O-CA 3.13Å; N310-T326 HydrophobicContact CB-CG2 3.74Å; H314-T326 PolarHBondContact NE2-OG1 3.46Å; K318-T326 VanDerWaalsContact CD-OG1 3.25Å; K318-T326 WeakPolarHBondContact CD-OG1 3.4Å; K318-T326 VanDerWaalsContact CE-OG1 3.27Å; K318-T326 WeakPolarHBondContact CE-OG1 3.22Å; K318-T326 PolarHBondContact NZ-OG1 3.31Å
327V98.2Very high96.7Very high15 Ų1539.8 Ų39.89%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-96.8129.4169.5177.70000109.6F157 L158 Y161 V307 V308 T309 N310F157-V327 HydrophobicContact CB-CG1 3.73Å; L158-V327 HydrophobicContact CD2-CB 4.44Å; L158-V327 HydrophobicContact CD2-CG2 4.17Å; Y161-V327 HydrophobicContact CD2-CG2 3.72Å; Y161-V327 HydrophobicContact CE2-CG2 4.4Å; Y161-V327 HydrophobicContact CG-CG2 4.1Å; V307-V327 HydrophobicContact CG1-CG2 3.63Å; V308-V327 PolarHBondContact O-N 2.95Å; T309-V327 VanDerWaalsContact CA-O 3.25Å; T309-V327 WeakPolarHBondContact CA-O 3.46Å; N310-V327 PolarHBondContact N-O 2.85Å; N310-V327 VanDerWaalsContact N-O 3.09Å; N310-V327 PolarHBondContact OD1-O 3.35Å
328D97.5Very high96.7Very high42 Ų4241.6 Ų41.623%0.22521%0.209CC..  trans-82123.5-179.5178.334.2000111.9R29 N310 S330R29-D328 IonicContact CZ-OD2 3.52Å; R29-D328 IonicContact NE-OD2 3.83Å; R29-D328 IonicContact NH2-OD2 2.73Å; R29-D328 PolarHBondContact NH2-OD2 3.26Å; N310-D328 PolarHBondContact ND2-OD1 2.9Å; D328-S330 VanDerWaalsContact OD1-CB 3.27Å; D328-S330 WeakPolarHBondContact OD1-CB 3.42Å; D328-S330 PolarHBondContact OD1-N 3.31Å; D328-S330 PolarHBondContact OD1-OG 2.89Å; D328-S330 PolarHBondContact OD2-OG 3.28Å
329V97.4Very high96.8Very high0 Ų040.2 Ų40.20%020%0.202CC..  trans-111.99.2178.1-64.60000113.3M134 T309 N310 T311 L331 I332 L333M134-V329 HydrophobicContact CE-CB 3.89Å; M134-V329 HydrophobicContact CE-CG1 3.86Å; M134-V329 HydrophobicContact CE-CG2 3.58Å; M134-V329 HydrophobicContact SD-CB 4.21Å; M134-V329 HydrophobicContact SD-CG1 4.21Å; M134-V329 HydrophobicContact SD-CG2 4.45Å; T309-V329 HydrophobicContact CG2-CG1 3.71Å; N310-V329 WeakPolarHBondContact OD1-CG2 3.27Å; N310-V329 PolarHBondContact OD1-N 2.84Å; T311-V329 HydrophobicContact CG2-CG2 4.15Å; V329-L331 PolarHBondContact O-N 2.96Å; V329-I332 HydrophobicContact CB-CG2 3.94Å; V329-I332 WeakPolarHBondContact O-CG2 3.36Å; V329-I332 PolarHBondContact O-N 2.82Å; V329-L333 HydrophobicContact CG2-CD1 4.29Å; V329-L333 PolarHBondContact O-N 3.31Å
330S97.3Very high96.8Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-59.3-28175.959.60000112.6R29 D328 A334R29-S330 PolarHBondContact NE-OG 2.84Å; D328-S330 VanDerWaalsContact OD1-CB 3.27Å; D328-S330 WeakPolarHBondContact OD1-CB 3.42Å; D328-S330 PolarHBondContact OD1-N 3.31Å; D328-S330 PolarHBondContact OD1-OG 2.89Å; D328-S330 PolarHBondContact OD2-OG 3.28Å; S330-A334 VanDerWaalsContact O-CB 3.23Å; S330-A334 WeakPolarHBondContact O-CB 3.41Å; S330-A334 PolarHBondContact O-N 3.38Å
331L95.2Very high96.7Very high91 Ų9131.5 Ų31.548%0.47616%0.158SC..Hα-helixtrans-62.8-50.7176.6-176.969.4000112.6F157 V329 L333 A334 E335F157-L331 HydrophobicContact CE1-CD2 4.38Å; F157-L331 HydrophobicContact CZ-CD2 4.47Å; V329-L331 PolarHBondContact O-N 2.96Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 3.43Å; L331-A334 PolarHBondContact O-N 3.37Å; L331-E335 WeakPolarHBondContact O-CB 3.27Å; L331-E335 PolarHBondContact O-N 3.38Å
332I96.3Very high96.5Very high10 Ų1035.6 Ų35.65%0.05118%0.18CC..Hα-helixtrans-69.1-34.7-178.3-173.7166.4000111.4M134 L152 F157 V329 A336 L349M134-I332 HydrophobicContact SD-CG2 4.3Å; L152-I332 HydrophobicContact CB-CD1 4.37Å; L152-I332 HydrophobicContact CD1-CG1 4.2Å; F157-I332 HydrophobicContact CE2-CB 3.76Å; F157-I332 HydrophobicContact CE2-CD1 4.01Å; F157-I332 HydrophobicContact CE2-CG1 4.43Å; F157-I332 HydrophobicContact CE2-CG2 3.88Å; F157-I332 HydrophobicContact CZ-CB 3.86Å; F157-I332 HydrophobicContact CZ-CG2 4.13Å; V329-I332 HydrophobicContact CB-CG2 3.94Å; V329-I332 WeakPolarHBondContact O-CG2 3.36Å; V329-I332 PolarHBondContact O-N 2.82Å; I332-A336 WeakPolarHBondContact O-CB 3.49Å; I332-A336 PolarHBondContact O-N 3.23Å; I332-L349 HydrophobicContact CG1-CD1 4.43Å; I332-L349 HydrophobicContact CG1-CD2 4.31Å
333L97.8Very high96.4Very high0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-68.1-43.6175.3-68.3168.4000111.9L22 I26 V96 P98 I132 L152 V329 L331 A336 I337L22-L333 HydrophobicContact CD1-CD1 4.29Å; L22-L333 HydrophobicContact CD2-CD1 3.95Å; L22-L333 HydrophobicContact CG-CD1 4.43Å; I26-L333 HydrophobicContact CD1-CB 3.73Å; I26-L333 HydrophobicContact CD1-CD1 3.83Å; I26-L333 HydrophobicContact CD1-CG 4.42Å; I26-L333 HydrophobicContact CG1-CB 4.08Å; V96-L333 HydrophobicContact CG1-CD2 4.09Å; P98-L333 HydrophobicContact CB-CD1 4.18Å; P98-L333 HydrophobicContact CG-CD1 3.86Å; I132-L333 HydrophobicContact CG2-CD2 4.27Å; L152-L333 HydrophobicContact CD1-CD2 3.92Å; V329-L333 HydrophobicContact CG2-CD1 4.29Å; V329-L333 PolarHBondContact O-N 3.31Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 3.43Å; L333-A336 PolarHBondContact O-N 3.41Å; L333-I337 WeakPolarHBondContact O-CG1 3.23Å; L333-I337 PolarHBondContact O-N 2.85Å
334A96.9Very high96.1Very high5 Ų536.1 Ų36.14%0.04119%0.194CC..Hα-helixtrans-61.4-44.5174.600000111.5I26 R29 L30 S330 L331 A336 I337 R338I26-A334 HydrophobicContact CG2-CB 4.28Å; R29-A334 HydrophobicContact CB-CB 3.85Å; L30-A334 HydrophobicContact CD2-CB 4.12Å; L30-A334 WeakPolarHBondContact CD2-O 3.48Å; L30-A334 HydrophobicContact CG-CB 4Å; S330-A334 VanDerWaalsContact O-CB 3.23Å; S330-A334 WeakPolarHBondContact O-CB 3.41Å; S330-A334 PolarHBondContact O-N 3.38Å; L331-A334 PolarHBondContact O-N 3.37Å; A334-A336 VanDerWaalsContact C-N 3.33Å; A334-A336 PolarHBondContact O-N 3.2Å; A334-I337 PolarHBondContact O-N 3.34Å; A334-R338 WeakPolarHBondContact O-CB 3.37Å; A334-R338 PolarHBondContact O-N 2.89Å
335E95.9Very high95.8Very high48 Ų4839.3 Ų39.322%0.22422%0.217CC..Hα-helixtrans-65.4-36.5178.5-177.660-170.500112.3L331 R338 R339 L349L331-E335 WeakPolarHBondContact O-CB 3.27Å; L331-E335 PolarHBondContact O-N 3.38Å; E335-R338 PolarHBondContact O-N 3.5Å; E335-R338 IonicContact OE1-CZ 3.08Å; E335-R338 IonicContact OE1-NE 2.77Å; E335-R338 IonicContact OE1-NH2 3.61Å; E335-R338 PolarHBondContact OE1-NH2 3.11Å; E335-R338 IonicContact OE2-CZ 2.84Å; E335-R338 IonicContact OE2-NE 2.83Å; E335-R338 PolarHBondContact OE2-NE 2.88Å; E335-R338 IonicContact OE2-NH2 3.36Å; E335-R339 WeakPolarHBondContact O-CB 3.36Å; E335-R339 VanDerWaalsContact O-CG 3.3Å; E335-R339 WeakPolarHBondContact O-CG 3.46Å; E335-R339 PolarHBondContact O-N 2.94Å; E335-R339 IonicContact OE1-CZ 3.01Å; E335-R339 IonicContact OE1-NE 2.7Å; E335-R339 PolarHBondContact OE1-NE 3.34Å; E335-R339 IonicContact OE1-NH2 3.41Å; E335-R339 PolarHBondContact OE1-NH2 2.97Å; E335-L349 HydrophobicContact CB-CD2 4.41Å; E335-L349 HydrophobicContact CG-CD2 3.82Å
336A97Very high95.4Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-62.1-47.217300000112.2I132 L152 I332 L333 A334 R338 R339 I340 M346 L349I132-A336 HydrophobicContact CD1-CB 4.15Å; I132-A336 HydrophobicContact CG2-CB 4.06Å; L152-A336 HydrophobicContact CD1-CB 3.7Å; L152-A336 HydrophobicContact CD2-CB 4.26Å; I332-A336 WeakPolarHBondContact O-CB 3.49Å; I332-A336 PolarHBondContact O-N 3.23Å; L333-A336 PolarHBondContact O-N 3.41Å; A334-A336 VanDerWaalsContact C-N 3.33Å; A334-A336 PolarHBondContact O-N 3.2Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.19Å; A336-R339 PolarHBondContact O-N 3.44Å; A336-I340 WeakPolarHBondContact O-CG1 3.48Å; A336-I340 PolarHBondContact O-N 3.42Å; A336-M346 HydrophobicContact CB-CE 3.62Å; A336-M346 HydrophobicContact CB-SD 4.49Å; A336-L349 HydrophobicContact CB-CD1 4.1Å
337I96.6Very high94.7Very high0 Ų037.1 Ų37.10%021%0.212CC..Hα-helixtrans-57.7-48.4175.9-69.7166.8000110.5Y8 I26 L30 F62 V96 I132 L333 A334 R339 I340 H341Y8-I337 HydrophobicContact CE2-CG2 4.09Å; I26-I337 HydrophobicContact CG2-CD1 3.55Å; L30-I337 HydrophobicContact CD1-CB 4.25Å; L30-I337 HydrophobicContact CD1-CD1 4.18Å; L30-I337 HydrophobicContact CD1-CG2 3.76Å; L30-I337 HydrophobicContact CD2-CG2 4.48Å; F62-I337 HydrophobicContact CD1-CB 4.26Å; F62-I337 HydrophobicContact CD1-CG1 3.81Å; F62-I337 HydrophobicContact CD1-CG2 3.87Å; F62-I337 HydrophobicContact CD2-CG2 3.94Å; F62-I337 HydrophobicContact CE1-CB 4.16Å; F62-I337 HydrophobicContact CE1-CG1 4.11Å; F62-I337 HydrophobicContact CE1-CG2 3.83Å; F62-I337 HydrophobicContact CE2-CG2 3.89Å; F62-I337 HydrophobicContact CG-CG1 4.39Å; F62-I337 HydrophobicContact CG-CG2 3.93Å; F62-I337 HydrophobicContact CZ-CG2 3.83Å; V96-I337 HydrophobicContact CG2-CD1 4.03Å; V96-I337 HydrophobicContact CG2-CG1 4.05Å; I132-I337 HydrophobicContact CD1-CG1 3.91Å; L333-I337 WeakPolarHBondContact O-CG1 3.23Å; L333-I337 PolarHBondContact O-N 2.85Å; A334-I337 PolarHBondContact O-N 3.34Å; I337-R339 PolarHBondContact O-N 2.96Å; I337-I340 PolarHBondContact O-N 2.82Å; I337-H341 WeakPolarHBondContact O-CB 3.46Å; I337-H341 PolarHBondContact O-N 2.72Å
338R95.4Very high93.8Very high74 Ų7443 Ų4328%0.27923%0.233SC..Hα-helixtrans-59.1-45.4179.8-166.7-165.967.968.14.5111.7L30 A334 E335 A336 N342 E344L30-R338 HydrophobicContact CD2-CB 4.14Å; A334-R338 WeakPolarHBondContact O-CB 3.37Å; A334-R338 PolarHBondContact O-N 2.89Å; E335-R338 PolarHBondContact O-N 3.5Å; E335-R338 IonicContact OE1-CZ 3.08Å; E335-R338 IonicContact OE1-NE 2.77Å; E335-R338 IonicContact OE1-NH2 3.61Å; E335-R338 PolarHBondContact OE1-NH2 3.11Å; E335-R338 IonicContact OE2-CZ 2.84Å; E335-R338 IonicContact OE2-NE 2.83Å; E335-R338 PolarHBondContact OE2-NE 2.88Å; E335-R338 IonicContact OE2-NH2 3.36Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.19Å; R338-N342 PolarHBondContact NH1-ND2 2.88Å; R338-N342 WeakPolarHBondContact O-CB 3.46Å; R338-N342 PolarHBondContact O-N 3.15Å; R338-N342 VanDerWaalsContact O-N 3.08Å; R338-E344 IonicContact CZ-OE1 3.62Å; R338-E344 IonicContact CZ-OE2 2.78Å; R338-E344 VanDerWaalsContact NH1-CD 3.3Å; R338-E344 IonicContact NH1-OE1 2.73Å; R338-E344 PolarHBondContact NH1-OE1 2.9Å; R338-E344 IonicContact NH1-OE2 3.14Å; R338-E344 PolarHBondContact NH1-OE2 3.3Å; R338-E344 VanDerWaalsContact NH1-OE2 3.14Å; R338-E344 IonicContact NH2-OE1 2.78Å; R338-E344 IonicContact NH2-OE2 3.71Å; R338-E344 PolarHBondContact NH2-OE2 2.88Å
339R95.1Very high93.1Very high32 Ų3242.1 Ų42.112%0.12123%0.229CC..Hα-helixtrans-65.9-46.4-179.9-75.4177.6-178.5-80.8-18.4112.5E335 A336 I337 H341 N342 G343 E344 S345 M346E335-R339 WeakPolarHBondContact O-CB 3.36Å; E335-R339 VanDerWaalsContact O-CG 3.3Å; E335-R339 WeakPolarHBondContact O-CG 3.46Å; E335-R339 PolarHBondContact O-N 2.94Å; E335-R339 IonicContact OE1-CZ 3.01Å; E335-R339 IonicContact OE1-NE 2.7Å; E335-R339 PolarHBondContact OE1-NE 3.34Å; E335-R339 IonicContact OE1-NH2 3.41Å; E335-R339 PolarHBondContact OE1-NH2 2.97Å; A336-R339 PolarHBondContact O-N 3.44Å; I337-R339 PolarHBondContact O-N 2.96Å; R339-H341 VanDerWaalsContact C-N 3.32Å; R339-H341 PolarHBondContact O-N 3.34Å; R339-N342 CarbonylContact O-C 3.56Å; R339-N342 PolarHBondContact O-N 3.43Å; R339-G343 PolarHBondContact O-N 2.75Å; R339-E344 HydrophobicContact CB-CB 4.07Å; R339-E344 HydrophobicContact CG-CB 4.02Å; R339-E344 PolarHBondContact O-N 2.86Å; R339-S345 PolarHBondContact NH1-O 2.83Å; R339-M346 HydrophobicContact CB-SD 3.67Å; R339-M346 HydrophobicContact CG-SD 4.42Å
340I94.9Very high92.1Very high36 Ų3645.1 Ų45.119%0.18524%0.242CC..Hα-helixtrans-61.4-43.7178.9-72.3163.4000110.6F62 I132 D150 A336 I337 N342 G343 M346F62-I340 HydrophobicContact CE1-CB 4.46Å; F62-I340 HydrophobicContact CE1-CG2 4.2Å; F62-I340 HydrophobicContact CZ-CG2 4.21Å; I132-I340 HydrophobicContact CD1-CD1 3.35Å; I132-I340 HydrophobicContact CG1-CD1 3.51Å; D150-I340 WeakPolarHBondContact OD2-CD1 3.47Å; A336-I340 WeakPolarHBondContact O-CG1 3.48Å; A336-I340 PolarHBondContact O-N 3.42Å; I337-I340 PolarHBondContact O-N 2.82Å; I340-N342 PolarHBondContact O-N 3.09Å; I340-G343 PolarHBondContact O-N 3.22Å; I340-M346 HydrophobicContact CG1-SD 4.33Å
341H93.8Very high90.5Very high47 Ų4753.3 Ų53.322%0.21827%0.273CS..Hα-helixtrans-61.1-43.7177177.958.6000112.3Y8 F62 I337 R339 G343Y8-H341 HydrophobicContact CD1-CB 4.35Å; Y8-H341 AromaticContact CD1-CD2 3.39Å; Y8-H341 WeakPolarHBondContact CD1-CD2 3.37Å; Y8-H341 AromaticContact CD1-CE1 3.72Å; Y8-H341 AromaticContact CD1-CG 3.57Å; Y8-H341 AromaticContact CD1-ND1 3.78Å; Y8-H341 AromaticContact CD1-NE2 3.47Å; Y8-H341 WeakPolarHBondContact CD1-NE2 3.42Å; Y8-H341 AromaticContact CE1-CD2 3.79Å; F62-H341 HydrophobicContact CE2-CB 4.36Å; F62-H341 HydrophobicContact CZ-CB 4.23Å; I337-H341 WeakPolarHBondContact O-CB 3.46Å; I337-H341 PolarHBondContact O-N 2.72Å; R339-H341 VanDerWaalsContact C-N 3.32Å; R339-H341 PolarHBondContact O-N 3.34Å; H341-G343 VanDerWaalsContact C-N 3.3Å; H341-G343 PolarHBondContact O-N 2.57Å
342N93.1Very high88.9Confident85 Ų8555.3 Ų55.346%0.45528%0.284SS..Hα-helixtrans-81.5-3.3-178.7-69.2-10.4000114.3R338 R339 I340 E344R338-N342 PolarHBondContact NH1-ND2 2.88Å; R338-N342 WeakPolarHBondContact O-CB 3.46Å; R338-N342 PolarHBondContact O-N 3.15Å; R338-N342 VanDerWaalsContact O-N 3.08Å; R339-N342 CarbonylContact O-C 3.56Å; R339-N342 PolarHBondContact O-N 3.43Å; I340-N342 PolarHBondContact O-N 3.09Å; N342-E344 HydrophobicContact CB-CG 3.81Å; N342-E344 WeakPolarHBondContact CB-OE1 3.36Å; N342-E344 PolarHBondContact ND2-OE1 3.27Å; N342-E344 PolarHBondContact O-N 2.68Å
343G92.3Very high87.5Confident71 Ų7156.3 Ų56.373%0.73229%0.289SS*.THydrogen-bonded Turntrans66.224.6-17300000113.9R339 I340 H341R339-G343 PolarHBondContact O-N 2.75Å; I340-G343 PolarHBondContact O-N 3.22Å; H341-G343 VanDerWaalsContact C-N 3.3Å; H341-G343 PolarHBondContact O-N 2.57Å
344E93.2Very high85.8Confident70 Ų7058.4 Ų58.433%0.32730%0.302SS..  trans-81.6154.8179.4-67.8172-148.800111.8R338 R339 N342 M346R338-E344 IonicContact CZ-OE1 3.62Å; R338-E344 IonicContact CZ-OE2 2.78Å; R338-E344 VanDerWaalsContact NH1-CD 3.3Å; R338-E344 IonicContact NH1-OE1 2.73Å; R338-E344 PolarHBondContact NH1-OE1 2.9Å; R338-E344 IonicContact NH1-OE2 3.14Å; R338-E344 PolarHBondContact NH1-OE2 3.3Å; R338-E344 VanDerWaalsContact NH1-OE2 3.14Å; R338-E344 IonicContact NH2-OE1 2.78Å; R338-E344 IonicContact NH2-OE2 3.71Å; R338-E344 PolarHBondContact NH2-OE2 2.88Å; R339-E344 HydrophobicContact CB-CB 4.07Å; R339-E344 HydrophobicContact CG-CB 4.02Å; R339-E344 PolarHBondContact O-N 2.86Å; N342-E344 HydrophobicContact CB-CG 3.81Å; N342-E344 WeakPolarHBondContact CB-OE1 3.36Å; N342-E344 PolarHBondContact ND2-OE1 3.27Å; N342-E344 PolarHBondContact O-N 2.68Å; E344-M346 PolarHBondContact O-N 2.81Å
345S91.5Very high84Confident74 Ų7463.8 Ų63.852%0.51733%0.334SS..  trans-66.2131.8178-175.10000112.1R339 S347R339-S345 PolarHBondContact NH1-O 2.83Å; S345-S347 VanDerWaalsContact C-N 3.25Å; S345-S347 PolarHBondContact O-N 3.33Å; S345-S347 WeakPolarHBondContact OG-CB 3.39Å; S345-S347 PolarHBondContact OG-N 3.25Å; S345-S347 PolarHBondContact OG-OG 2.82Å
346M90.3Very high82.1Confident22 Ų2265.2 Ų65.211%0.10834%0.343CS..G310 helixtrans-75.2-12.4171.3-68.6-64.2-81.700113.4D150 L152 A336 R339 I340 E344 Y348 L349 F350D150-M346 HydrophobicContact CB-CE 4.05Å; L152-M346 HydrophobicContact CD2-CE 3.68Å; A336-M346 HydrophobicContact CB-CE 3.62Å; A336-M346 HydrophobicContact CB-SD 4.49Å; R339-M346 HydrophobicContact CB-SD 3.67Å; R339-M346 HydrophobicContact CG-SD 4.42Å; I340-M346 HydrophobicContact CG1-SD 4.33Å; E344-M346 PolarHBondContact O-N 2.81Å; M346-Y348 PolarHBondContact O-N 3.16Å; M346-L349 HydrophobicContact CE-CD1 3.63Å; M346-L349 WeakPolarHBondContact O-CB 3.43Å; M346-L349 PolarHBondContact O-N 2.91Å; M346-L349 HydrophobicContact SD-CD1 4.01Å; M346-F350 HydrophobicContact CB-CE2 4.17Å; M346-F350 VanDerWaalsContact O-CD2 3.29Å; M346-F350 WeakPolarHBondContact O-CD2 3.28Å
347S82.6Confident80.1Confident58 Ų5865.8 Ų65.841%0.40635%0.346SS..G310 helixtrans-53.5-31.5-175.360.20000114S345 L349 F350 R351S345-S347 VanDerWaalsContact C-N 3.25Å; S345-S347 PolarHBondContact O-N 3.33Å; S345-S347 WeakPolarHBondContact OG-CB 3.39Å; S345-S347 PolarHBondContact OG-N 3.25Å; S345-S347 PolarHBondContact OG-OG 2.82Å; S347-L349 VanDerWaalsContact C-N 3.26Å; S347-L349 PolarHBondContact O-N 3.4Å; S347-F350 CarbonylContact O-C 3.52Å; S347-F350 PolarHBondContact O-N 2.78Å; S347-R351 WeakPolarHBondContact O-CG 2.98Å; S347-R351 PolarHBondContact O-N 2.97Å; S347-R351 VanDerWaalsContact O-N 3.15Å
348Y79.3Confident79.3Confident137 Ų13769.1 Ų69.154%0.53736%0.364SS..G310 helixtrans-60.1-36.3178.4-168-94.9000112.6M346 F350 R351M346-Y348 PolarHBondContact O-N 3.16Å; Y348-F350 PolarHBondContact O-N 2.93Å; Y348-R351 PolarHBondContact O-N 3.08Å
349L82.7Confident78.5Confident25 Ų2568.8 Ų68.813%0.13137%0.368CS..G310 helixtrans-69.9-14177.5-59.4-178.4000112.6L152 I332 E335 A336 M346 S347 I353L152-L349 HydrophobicContact CD2-CD1 4.07Å; I332-L349 HydrophobicContact CG1-CD1 4.43Å; I332-L349 HydrophobicContact CG1-CD2 4.31Å; E335-L349 HydrophobicContact CB-CD2 4.41Å; E335-L349 HydrophobicContact CG-CD2 3.82Å; A336-L349 HydrophobicContact CB-CD1 4.1Å; M346-L349 HydrophobicContact CE-CD1 3.63Å; M346-L349 WeakPolarHBondContact O-CB 3.43Å; M346-L349 PolarHBondContact O-N 2.91Å; M346-L349 HydrophobicContact SD-CD1 4.01Å; S347-L349 VanDerWaalsContact C-N 3.26Å; S347-L349 PolarHBondContact O-N 3.4Å; L349-I353 VanDerWaalsContact O-CD1 3.28Å; L349-I353 WeakPolarHBondContact O-CD1 3.44Å
350F76.4Confident77.6Confident63 Ų6370.9 Ų70.928%0.27638%0.382SS..G310 helixtrans-112.8-1.3-177.5-60.5-75.5000114.3N151 L152 R153 M346 S347 Y348 N352 I353N151-F350 VanDerWaalsContact O-CE1 3.26Å; N151-F350 WeakPolarHBondContact O-CE1 3.34Å; L152-F350 HydrophobicContact CD2-CZ 4.06Å; R153-F350 HydrophobicContact CG-CE1 4.43Å; M346-F350 HydrophobicContact CB-CE2 4.17Å; M346-F350 VanDerWaalsContact O-CD2 3.29Å; M346-F350 WeakPolarHBondContact O-CD2 3.28Å; S347-F350 CarbonylContact O-C 3.52Å; S347-F350 PolarHBondContact O-N 2.78Å; Y348-F350 PolarHBondContact O-N 2.93Å; F350-N352 PolarHBondContact O-N 3.04Å; F350-N352 VanDerWaalsContact O-N 3.09Å; F350-I353 HydrophobicContact CD1-CD1 4.1Å; F350-I353 WeakPolarHBondContact O-CB 3.27Å; F350-I353 PolarHBondContact O-N 2.94Å
351R65Low76.5Confident172 Ų17272.9 Ų72.965%0.64939%0.394SS*.THydrogen-bonded Turntrans-58.4-28.2-170.8-83.2-179.7-178.2-174.1-0.4115.1S347 Y348S347-R351 WeakPolarHBondContact O-CG 2.98Å; S347-R351 PolarHBondContact O-N 2.97Å; S347-R351 VanDerWaalsContact O-N 3.15Å; Y348-R351 PolarHBondContact O-N 3.08Å
352N60.7Low75.5Confident132 Ų13274.6 Ų74.671%0.70641%0.405SS*.THydrogen-bonded Turntrans-115.628-176.7-64.7-21.6000112.6R191 F350R191-N352 PolarHBondContact NE-O 3.19Å; R191-N352 PolarHBondContact NH2-O 3.17Å; F350-N352 PolarHBondContact O-N 3.04Å; F350-N352 VanDerWaalsContact O-N 3.09Å
353I67.1Low74.3Confident32 Ų3273.9 Ų73.916%0.16440%0.401CS..  trans-118.2134.1-173.2-53.7-164.1000108.8R153 P156 L349 F350 D357R153-I353 HydrophobicContact CB-CD1 3.49Å; R153-I353 VanDerWaalsContact CB-CD1 3.49Å; R153-I353 HydrophobicContact CB-CG2 4.44Å; R153-I353 HydrophobicContact CG-CD1 3.57Å; R153-I353 HydrophobicContact CG-CG2 3.74Å; P156-I353 HydrophobicContact CG-CD1 3.97Å; P156-I353 HydrophobicContact CG-CG1 4.18Å; L349-I353 VanDerWaalsContact O-CD1 3.28Å; L349-I353 WeakPolarHBondContact O-CD1 3.44Å; F350-I353 HydrophobicContact CD1-CD1 4.1Å; F350-I353 WeakPolarHBondContact O-CB 3.27Å; F350-I353 PolarHBondContact O-N 2.94Å; I353-D357 HydrophobicContact CG2-CB 3.87Å
354T61Low73Confident43 Ų4374.1 Ų74.126%0.26438%0.378SS..  trans-81.5158.4177.360.80000110.8A187 R191 D356 D357A187-T354 VanDerWaalsContact CB-OG1 3.27Å; A187-T354 WeakPolarHBondContact CB-OG1 3.48Å; R191-T354 HydrophobicContact CG-CG2 4.43Å; T354-D356 PolarHBondContact O-N 3.39Å; T354-D357 PolarHBondContact O-N 3.03Å; T354-D357 PolarHBondContact OG1-N 2.99Å
355V59.3Low71.4Confident118 Ų11874.4 Ų74.472%0.71538%0.382SS*.THydrogen-bonded Turntrans-65.3-21.2-178.9179.10000112.5K139K139-V355 PolarHBondContact NZ-O 3.04Å
356D55.9Low69.8Low78 Ų7874.4 Ų74.442%0.41737%0.37SS..THydrogen-bonded Turntrans-106.93.8-174.6-67.2-48000114.4K139 K183 T354K139-D356 IonicContact NZ-OD1 2.86Å; K139-D356 PolarHBondContact NZ-OD1 2.73Å; K183-D356 HydrophobicContact CB-CB 4.47Å; T354-D356 PolarHBondContact O-N 3.39Å
357D56.9Low67.9Low13 Ų1379.2 Ų79.27%0.0739%0.394CS..  trans-56.70165.5-118.1-19000111.6R153 S155 A187 R191 I353 T354R153-D357 VanDerWaalsContact CZ-C 3.45Å; R153-D357 PolarHBondContact NH1-O 3.06Å; R153-D357 PolarHBondContact NH1-OXT 2.93Å; R153-D357 PolarHBondContact NH2-O 3.05Å; S155-D357 WeakPolarHBondContact CB-OD1 3.26Å; S155-D357 WeakPolarHBondContact CB-OD2 3.35Å; S155-D357 VanDerWaalsContact OG-CG 3.28Å; S155-D357 PolarHBondContact OG-OD2 3.49Å; A187-D357 HydrophobicContact CB-CB 4.29Å; A187-D357 WeakPolarHBondContact CB-OD1 3.34Å; R191-D357 IonicContact NH1-OD2 3.95Å; R191-D357 PolarHBondContact NH1-OD2 2.96Å; I353-D357 HydrophobicContact CG2-CB 3.87Å; T354-D357 PolarHBondContact O-N 3.03Å; T354-D357 PolarHBondContact OG1-N 2.99Å

Retrieved 357 of 357 residues in 540 ms (Link to these results)

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