A0A087YF02_POEFO Loading...

Trafficking protein particle complex subunit

Core component of the TRAPP complexes which has a function of guanine nucleotide exchange factor activity for Rab1 GTPase. Plays a role in vesicular transport from endoplasmic reticulum to Golgi and autophagy. May play a role in dendrite postsynaptic membrane trafficking.

AlphaFold DB , UniProt , Accession A0A087YF02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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
1M69.3Low91.8Very high132 Ų13236.2 Ų36.265%0.6517%0.171SC*.  0126.60-73.4-179.5158.100107.4Y22 E210M1-Y22 HydrophobicContact CB-CD1 4.18Å; M1-Y22 HydrophobicContact CB-CD2 4.05Å; M1-Y22 HydrophobicContact CB-CG 3.68Å; M1-Y22 HydrophobicContact SD-CD2 4.17Å; M1-Y22 HydrophobicContact SD-CG 4.44Å; M1-E210 WeakPolarHBondContact CA-OE1 3.27Å; M1-E210 WeakPolarHBondContact CB-OE1 3.46Å; M1-E210 VanDerWaalsContact CG-OE1 3.28Å; M1-E210 WeakPolarHBondContact CG-OE1 3.48Å
2V86.2Confident91.7Very high33 Ų3339.7 Ų39.720%0.221%0.21CC..  trans-111.7-10.8-168.4-72.70000111.9A159 D160 Q163 E210V2-A159 CarbonylContact O-C 3.55Å; V2-A159 VanDerWaalsContact O-CA 3.26Å; V2-A159 WeakPolarHBondContact O-CA 2.99Å; V2-A159 WeakPolarHBondContact O-CB 3.35Å; V2-D160 HydrophobicContact CB-CB 4.41Å; V2-D160 PolarHBondContact O-N 3.4Å; V2-Q163 HydrophobicContact CG2-CG 4.38Å; V2-E210 HydrophobicContact CG2-CB 4.31Å; V2-E210 HydrophobicContact CG2-CG 4.15Å; V2-E210 PolarHBondContact N-OE1 3Å
3I92.5Very high91.7Very high0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-105.6123.3170.7-59.2165.7000107.4N21 V157 A159 I166 L169 L206 A209 E210I3-N21 PolarHBondContact O-ND2 2.85Å; I3-V157 HydrophobicContact CG2-CG1 3.85Å; I3-A159 HydrophobicContact CG1-CB 4.42Å; I3-I166 HydrophobicContact CG1-CD1 4.37Å; I3-L169 HydrophobicContact CD1-CD2 3.73Å; I3-L206 HydrophobicContact CD1-CD2 4.06Å; I3-L206 HydrophobicContact CG2-CD2 3.89Å; I3-A209 HydrophobicContact CD1-CB 3.66Å; I3-E210 HydrophobicContact CD1-CG 4.01Å; I3-E210 HydrophobicContact CG1-CG 4.35Å
4F93.4Very high91.8Very high32 Ų3235.9 Ų35.914%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-86.5-53-174.8-57.4-46.9000111.7N21 Y22 P24 F142 L158 A159 D160F4-N21 PolarHBondContact O-N 2.61Å; F4-Y22 AromaticContact CD1-CD1 3.99Å; F4-Y22 HydrophobicContact CD1-CD1 3.99Å; F4-Y22 HydrophobicContact CE1-CD1 4.14Å; F4-Y22 PolarHBondContact O-N 2.79Å; F4-P24 HydrophobicContact CD1-CG 4.32Å; F4-P24 HydrophobicContact CE1-CG 4.18Å; F4-F142 HydrophobicContact CD2-CB 3.85Å; F4-F142 HydrophobicContact CE2-CB 3.59Å; F4-L158 HydrophobicContact CB-CB 4.19Å; F4-L158 HydrophobicContact CD2-CB 4.4Å; F4-L158 PolarHBondContact N-O 2.87Å; F4-A159 WeakPolarHBondContact CE2-O 3.4Å; F4-D160 HydrophobicContact CZ-CB 4.25Å
5S95.1Very high92.1Very high7 Ų735.1 Ų35.15%0.04920%0.195CC..EExtended strand (participates in β ladder)trans-160.2160.5-175.8520000113Y7 Y19 L158S5-Y7 VanDerWaalsContact OG-CE2 3.26Å; S5-Y7 WeakPolarHBondContact OG-CE2 3.26Å; S5-Y19 CarbonylContact C-O 3.57Å; S5-Y19 WeakPolarHBondContact CA-O 3.33Å; S5-Y19 WeakPolarHBondContact CB-O 3.32Å; S5-L158 PolarHBondContact N-O 2.85Å; S5-L158 PolarHBondContact O-N 2.83Å
6V96.6Very high92.2Very high0 Ų033.2 Ų33.20%018%0.184CC..EExtended strand (participates in β ladder)trans-124135.3176.8-176.70000108.9Q18 Y19 I156 V157 I173 L202 L206V6-Q18 CarbonylContact O-C 3.49Å; V6-Q18 WeakPolarHBondContact O-CA 3.29Å; V6-Y19 PolarHBondContact N-O 3.06Å; V6-Y19 PolarHBondContact O-N 2.91Å; V6-I156 CarbonylContact C-O 3.52Å; V6-I156 WeakPolarHBondContact CA-O 3.41Å; V6-V157 HydrophobicContact CG2-CG2 4.33Å; V6-I173 HydrophobicContact CG1-CD1 4.08Å; V6-L202 HydrophobicContact CG1-CD2 4.47Å; V6-L206 HydrophobicContact CG2-CD1 4.13Å; V6-L206 HydrophobicContact CG2-CD2 3.82Å
7Y97.2Very high92.4Very high31 Ų3132.2 Ų32.212%0.12218%0.177CC..EExtended strand (participates in β ladder)trans-127.2141.1172.2-57.1-98.2000109.9S5 L15 Q18 K108 I156 L158S5-Y7 VanDerWaalsContact OG-CE2 3.26Å; S5-Y7 WeakPolarHBondContact OG-CE2 3.26Å; Y7-L15 HydrophobicContact CD1-CD1 3.78Å; Y7-L15 HydrophobicContact CD1-CD2 4.42Å; Y7-L15 HydrophobicContact CG-CD1 4.4Å; Y7-Q18 HydrophobicContact CD1-CB 3.93Å; Y7-Q18 HydrophobicContact CE1-CB 4.19Å; Y7-K108 HydrophobicContact CE1-CB 4.45Å; Y7-K108 HydrophobicContact CE1-CD 4.46Å; Y7-K108 HydrophobicContact CE1-CG 4.36Å; Y7-I156 PolarHBondContact N-O 3.38Å; Y7-I156 PolarHBondContact O-N 3.2Å; Y7-L158 HydrophobicContact CD2-CD1 3.81Å; Y7-L158 HydrophobicContact CE2-CD1 3.65Å
8V96.3Very high92.5Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-120.4120.2169.8-168.90000108.3I16 Y17 I153 K154 F155V8-I16 HydrophobicContact CB-CG1 4.09Å; V8-I16 HydrophobicContact CG1-CD1 3.9Å; V8-I16 HydrophobicContact CG1-CG1 3.88Å; V8-I16 VanDerWaalsContact O-CG1 3.28Å; V8-I16 WeakPolarHBondContact O-CG1 3.29Å; V8-I16 PolarHBondContact O-N 3.36Å; V8-Y17 HydrophobicContact CG2-CD1 4.05Å; V8-Y17 HydrophobicContact CG2-CG 4.31Å; V8-Y17 PolarHBondContact N-O 2.82Å; V8-Y17 PolarHBondContact O-N 3.15Å; V8-I153 HydrophobicContact CG1-CG2 3.74Å; V8-K154 WeakPolarHBondContact CA-O 3.26Å; V8-F155 HydrophobicContact CB-CD1 4.44Å; V8-F155 HydrophobicContact CG1-CD1 3.89Å; V8-F155 HydrophobicContact CG1-CE1 3.71Å; V8-F155 HydrophobicContact CG2-CD1 3.84Å; V8-F155 HydrophobicContact CG2-CE1 4.11Å
9V96.4Very high92.6Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-116.9131.3-175.1-173.50000108.9G13 G14 L15 A112 K154 I156V9-G13 VanDerWaalsContact CG1-C 3.44Å; V9-G13 WeakPolarHBondContact CG1-O 3.23Å; V9-G14 CarbonylContact C-O 3.59Å; V9-G14 WeakPolarHBondContact CA-O 3.21Å; V9-L15 HydrophobicContact CG2-CD1 4.25Å; V9-A112 HydrophobicContact CG2-CB 3.9Å; V9-K154 HydrophobicContact CB-CB 4.35Å; V9-K154 PolarHBondContact N-O 2.96Å; V9-K154 PolarHBondContact O-N 3.44Å; V9-I156 HydrophobicContact CG2-CD1 3.86Å
10N93.6Very high92.6Very high11 Ų1136.9 Ų36.96%0.05920%0.195CC..  trans-75177.4179.674.219.3000112A12 G13 G14 I16 I153N10-A12 PolarHBondContact O-N 2.86Å; N10-A12 WeakPolarHBondContact OD1-CA 3.28Å; N10-A12 WeakPolarHBondContact OD1-CB 3.29Å; N10-A12 PolarHBondContact OD1-N 3.44Å; N10-G13 PolarHBondContact O-N 3.08Å; N10-G13 VanDerWaalsContact O-N 3.11Å; N10-G13 PolarHBondContact OD1-N 3.23Å; N10-G14 PolarHBondContact N-O 2.89Å; N10-G14 WeakPolarHBondContact OD1-CA 3.13Å; N10-G14 PolarHBondContact OD1-N 3.37Å; N10-I16 HydrophobicContact CB-CD1 4.29Å; N10-I16 HydrophobicContact CB-CG2 3.94Å; N10-I153 HydrophobicContact CB-CD1 4.16Å
11K92.8Very high92.3Very high152 Ų15236.4 Ų36.466%0.66119%0.193SC*.THydrogen-bonded Turntrans-61.6-26.7179.3-175.5179.2176.2-177.80113.3G13 H116K11-G13 VanDerWaalsContact C-N 3.35Å; K11-H116 PolarHBondContact O-CE1 3.07Å
12A91.3Very high93Very high78 Ų7834.8 Ų34.865%0.64518%0.18SC*.THydrogen-bonded Turntrans-88.61.8178.800000113.6N10 G14N10-A12 PolarHBondContact O-N 2.86Å; N10-A12 WeakPolarHBondContact OD1-CA 3.28Å; N10-A12 WeakPolarHBondContact OD1-CB 3.29Å; N10-A12 PolarHBondContact OD1-N 3.44Å; A12-G14 VanDerWaalsContact C-N 3.34Å
13G91.6Very high92.5Very high2 Ų236.4 Ų36.42%0.02119%0.19CC..SBendtrans85.92.6-176.700000114.5V9 N10 K11 S113 H116V9-G13 VanDerWaalsContact CG1-C 3.44Å; V9-G13 WeakPolarHBondContact CG1-O 3.23Å; N10-G13 PolarHBondContact O-N 3.08Å; N10-G13 VanDerWaalsContact O-N 3.11Å; N10-G13 PolarHBondContact OD1-N 3.23Å; K11-G13 VanDerWaalsContact C-N 3.35Å; G13-S113 PolarHBondContact O-OG 2.97Å; G13-H116 VanDerWaalsContact CA-CG 3.46Å; G13-H116 WeakPolarHBondContact CA-ND1 3.2Å; G13-H116 PolarHBondContact N-ND1 3.02Å
14G93.7Very high91.4Very high25 Ų2539.1 Ų39.126%0.25821%0.207SC..  trans-74.9133.6175.500000112.4V9 N10 A12 I16V9-G14 CarbonylContact C-O 3.59Å; V9-G14 WeakPolarHBondContact CA-O 3.21Å; N10-G14 PolarHBondContact N-O 2.89Å; N10-G14 WeakPolarHBondContact OD1-CA 3.13Å; N10-G14 PolarHBondContact OD1-N 3.37Å; A12-G14 VanDerWaalsContact C-N 3.34Å; G14-I16 PolarHBondContact O-N 2.73Å
15L95.3Very high90.3Very high24 Ų2446.9 Ų46.913%0.12624%0.236CC..EExtended strand (participates in β ladder)trans-74.2113.7174-173.764.2000110Y7 V9 Y17 Q18 K108 L109 A112Y7-L15 HydrophobicContact CD1-CD1 3.78Å; Y7-L15 HydrophobicContact CD1-CD2 4.42Å; Y7-L15 HydrophobicContact CG-CD1 4.4Å; V9-L15 HydrophobicContact CG2-CD1 4.25Å; L15-Y17 VanDerWaalsContact CD1-O 3.23Å; L15-Y17 WeakPolarHBondContact CD1-O 3.43Å; L15-Q18 HydrophobicContact CD1-CB 4.31Å; L15-Q18 HydrophobicContact CD2-CB 4.06Å; L15-Q18 HydrophobicContact CD2-CG 4.23Å; L15-Q18 HydrophobicContact CG-CB 4.42Å; L15-K108 HydrophobicContact CD2-CB 4Å; L15-L109 HydrophobicContact CB-CD2 3.69Å; L15-L109 HydrophobicContact CD2-CD2 4.49Å; L15-A112 HydrophobicContact CB-CB 3.89Å; L15-A112 HydrophobicContact CD1-CB 4Å; L15-A112 HydrophobicContact CG-CB 4.37Å
16I93.9Very high89.5Confident4 Ų449.8 Ų49.82%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-104.6-14.4-179.858169.9000112.7V8 N10 G14 Y177 P192 I193V8-I16 HydrophobicContact CB-CG1 4.09Å; V8-I16 HydrophobicContact CG1-CD1 3.9Å; V8-I16 HydrophobicContact CG1-CG1 3.88Å; V8-I16 VanDerWaalsContact O-CG1 3.28Å; V8-I16 WeakPolarHBondContact O-CG1 3.29Å; V8-I16 PolarHBondContact O-N 3.36Å; N10-I16 HydrophobicContact CB-CD1 4.29Å; N10-I16 HydrophobicContact CB-CG2 3.94Å; G14-I16 PolarHBondContact O-N 2.73Å; I16-Y177 HydrophobicContact CD1-CE2 4.22Å; I16-P192 CarbonylContact O-C 3.47Å; I16-P192 WeakPolarHBondContact O-CA 3.47Å; I16-I193 HydrophobicContact CD1-CD1 4.49Å; I16-I193 PolarHBondContact O-N 2.85Å
17Y95.1Very high89.1Confident17 Ų1754.3 Ų54.37%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-156144.5172.2-174.8-93.4000111.2V8 L15 I193 F198 D199 L202V8-Y17 HydrophobicContact CG2-CD1 4.05Å; V8-Y17 HydrophobicContact CG2-CG 4.31Å; V8-Y17 PolarHBondContact N-O 2.82Å; V8-Y17 PolarHBondContact O-N 3.15Å; L15-Y17 VanDerWaalsContact CD1-O 3.23Å; L15-Y17 WeakPolarHBondContact CD1-O 3.43Å; Y17-I193 HydrophobicContact CD2-CB 4.07Å; Y17-F198 AromaticContact CD1-CE1 3.83Å; Y17-F198 HydrophobicContact CD1-CE1 3.83Å; Y17-F198 HydrophobicContact CD2-CD1 4.11Å; Y17-F198 AromaticContact CD2-CE1 3.79Å; Y17-F198 HydrophobicContact CD2-CE1 3.79Å; Y17-F198 AromaticContact CE1-CE1 3.79Å; Y17-F198 HydrophobicContact CE1-CE1 3.79Å; Y17-F198 AromaticContact CE2-CD1 3.82Å; Y17-F198 HydrophobicContact CE2-CD1 3.82Å; Y17-F198 AromaticContact CE2-CE1 3.73Å; Y17-F198 HydrophobicContact CE2-CE1 3.73Å; Y17-F198 AromaticContact CG-CE1 3.81Å; Y17-F198 HydrophobicContact CG-CE1 3.81Å; Y17-F198 AromaticContact CZ-CE1 3.71Å; Y17-D199 WeakPolarHBondContact CE2-OD1 3.36Å; Y17-D199 PolarHBondContact OH-OD1 3.11Å; Y17-L202 HydrophobicContact CD1-CD2 4.28Å; Y17-L202 HydrophobicContact CE1-CD2 3.29Å; Y17-L202 WeakPolarHBondContact OH-CD2 3.46Å
18Q94.7Very high88.9Confident70 Ų7054.2 Ų54.233%0.32728%0.277SS..EExtended strand (participates in β ladder)trans-148.8141.4172.369.78727.600110.9V6 Y7 L15 K108V6-Q18 CarbonylContact O-C 3.49Å; V6-Q18 WeakPolarHBondContact O-CA 3.29Å; Y7-Q18 HydrophobicContact CD1-CB 3.93Å; Y7-Q18 HydrophobicContact CE1-CB 4.19Å; L15-Q18 HydrophobicContact CD1-CB 4.31Å; L15-Q18 HydrophobicContact CD2-CB 4.06Å; L15-Q18 HydrophobicContact CD2-CG 4.23Å; L15-Q18 HydrophobicContact CG-CB 4.42Å; Q18-K108 HydrophobicContact CG-CD 4.33Å
19Y94.7Very high88.8Confident58 Ų5858.6 Ų58.623%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-143.2121.7176-178.7-110.6000110.4S5 V6 N21 K203 L206S5-Y19 CarbonylContact C-O 3.57Å; S5-Y19 WeakPolarHBondContact CA-O 3.33Å; S5-Y19 WeakPolarHBondContact CB-O 3.32Å; V6-Y19 PolarHBondContact N-O 3.06Å; V6-Y19 PolarHBondContact O-N 2.91Å; Y19-N21 HydrophobicContact CD1-CB 4.23Å; Y19-N21 HydrophobicContact CE1-CB 3.88Å; Y19-K203 HydrophobicContact CE1-CG 4.21Å; Y19-L206 HydrophobicContact CD1-CD1 3.62Å; Y19-L206 HydrophobicContact CE1-CD1 3.67Å
20D92Very high88.8Confident62 Ų6261 Ų6133%0.33231%0.308SS..EExtended strand (participates in β ladder)trans-89.3111.2170.1-60.9-26.7000108.2V23 K108D20-V23 HydrophobicContact CB-CG2 4.04Å; D20-K108 IonicContact OD1-NZ 2.77Å; D20-K108 PolarHBondContact OD1-NZ 3.02Å; D20-K108 IonicContact OD2-NZ 3.91Å; D20-K108 PolarHBondContact OD2-NZ 2.78Å
21N87.5Confident88.9Confident27 Ų2764.7 Ų64.714%0.14433%0.331CS..SBendtrans-82.2-45.2178.2-176.863.3000111I3 F4 Y19 L206 E210I3-N21 PolarHBondContact O-ND2 2.85Å; F4-N21 PolarHBondContact O-N 2.61Å; Y19-N21 HydrophobicContact CD1-CB 4.23Å; Y19-N21 HydrophobicContact CE1-CB 3.88Å; N21-L206 HydrophobicContact CB-CD1 4.41Å; N21-E210 PolarHBondContact ND2-OE1 3.09Å
22Y82.4Confident89Confident97 Ų9757.8 Ų57.838%0.3830%0.301SS..  trans-144.2125.2176.8178.6-112.8000110.9M1 F4 P24M1-Y22 HydrophobicContact CB-CD1 4.18Å; M1-Y22 HydrophobicContact CB-CD2 4.05Å; M1-Y22 HydrophobicContact CB-CG 3.68Å; M1-Y22 HydrophobicContact SD-CD2 4.17Å; M1-Y22 HydrophobicContact SD-CG 4.44Å; F4-Y22 AromaticContact CD1-CD1 3.99Å; F4-Y22 HydrophobicContact CD1-CD1 3.99Å; F4-Y22 HydrophobicContact CE1-CD1 4.14Å; F4-Y22 PolarHBondContact O-N 2.79Å; Y22-P24 HydrophobicContact CD1-CG 4.07Å; Y22-P24 HydrophobicContact CE1-CB 3.97Å; Y22-P24 HydrophobicContact CE1-CG 3.73Å
23V75.9Confident89.3Confident67 Ų6758.5 Ų58.541%0.40630%0.302SS..  trans-107.2109.4171.5-176.10000107.5D20 R25D20-V23 HydrophobicContact CB-CG2 4.04Å; V23-R25 PolarHBondContact O-N 2.85Å; V23-R25 VanDerWaalsContact O-N 3.13Å
24P70.4Confident89.4Confident57 Ų5764.3 Ų64.337%0.3732%0.324SS..  trans-57.9119.3176.8-19.728.9000110.2F4 Y22 T26F4-P24 HydrophobicContact CD1-CG 4.32Å; F4-P24 HydrophobicContact CE1-CG 4.18Å; Y22-P24 HydrophobicContact CD1-CG 4.07Å; Y22-P24 HydrophobicContact CE1-CB 3.97Å; Y22-P24 HydrophobicContact CE1-CG 3.73Å; P24-T26 VanDerWaalsContact C-N 3.31Å; P24-T26 PolarHBondContact O-N 3.22Å
25R70.6Confident89.3Confident195 Ų19567.6 Ų67.674%0.73634%0.341SS*.  trans-77.785.5171.9-68.3-168.3-170.5-171.11.6108.8V23 E27V23-R25 PolarHBondContact O-N 2.85Å; V23-R25 VanDerWaalsContact O-N 3.13Å; R25-E27 PolarHBondContact O-N 3.25Å
26T76.9Confident89.2Confident69 Ų6968.1 Ų68.142%0.42334%0.343SS..  trans-90.283.1167-47.70000107.3P24 G99P24-T26 VanDerWaalsContact C-N 3.31Å; P24-T26 PolarHBondContact O-N 3.22Å; T26-G99 WeakPolarHBondContact O-CA 3.43Å
27E89.9Confident89.1Confident94 Ų9471.3 Ų71.344%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-113.9135.8176.2-65.3177.6-152.800108.9R25 L64 F98R25-E27 PolarHBondContact O-N 3.25Å; E27-L64 HydrophobicContact CG-CD1 3.76Å; E27-F98 CarbonylContact C-O 3.44Å; E27-F98 VanDerWaalsContact CA-O 3.27Å; E27-F98 WeakPolarHBondContact CA-O 3.37Å
28V92.7Very high89Confident30 Ų3071.1 Ų71.118%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-131.5119.3-179.8178.30000107.6D55 I57 R97 F98V28-D55 VanDerWaalsContact CG1-O 3.29Å; V28-D55 WeakPolarHBondContact CG1-O 3.21Å; V28-I57 HydrophobicContact CB-CG1 4.21Å; V28-I57 HydrophobicContact CG1-CG1 3.85Å; V28-R97 CarbonylContact O-C 3.53Å; V28-R97 WeakPolarHBondContact O-CA 3.39Å; V28-F98 PolarHBondContact N-O 3.27Å; V28-F98 PolarHBondContact O-N 3.19Å
29E94.6Very high89Confident92 Ų9271 Ų7143%0.4336%0.364SS..EExtended strand (participates in β ladder)trans-106131.1174.5-171163.7173.700110S95 I96 R97E29-S95 WeakPolarHBondContact CG-OG 3.49Å; E29-S95 PolarHBondContact OE1-OG 2.81Å; E29-I96 WeakPolarHBondContact CA-O 3.37Å; E29-R97 HydrophobicContact CB-CB 4.22Å; E29-R97 HydrophobicContact CB-CG 4.1Å; E29-R97 HydrophobicContact CG-CB 4.2Å; E29-R97 IonicContact OE1-NH2 2.64Å; E29-R97 IonicContact OE2-CZ 3.69Å; E29-R97 VanDerWaalsContact OE2-CZ 3.29Å; E29-R97 IonicContact OE2-NE 3.05Å; E29-R97 PolarHBondContact OE2-NE 2.91Å; E29-R97 IonicContact OE2-NH2 3.62Å; E29-R97 PolarHBondContact OE2-NH2 2.88Å
30K94.8Very high89.1Confident49 Ų4969.1 Ų69.121%0.21336%0.358CS..EExtended strand (participates in β ladder)trans-147.3145.3-179.2-170.9176.1175.5-158.30111.5F32 D55 S95 I96K30-F32 HydrophobicContact CB-CE2 3.79Å; K30-F32 HydrophobicContact CB-CZ 3.96Å; K30-F32 HydrophobicContact CD-CE1 4.34Å; K30-F32 HydrophobicContact CD-CZ 4.09Å; K30-F32 HydrophobicContact CG-CE2 4.22Å; K30-F32 HydrophobicContact CG-CZ 4.19Å; K30-F32 WeakPolarHBondContact O-CD2 3.49Å; K30-F32 WeakPolarHBondContact O-CE2 3.46Å; K30-D55 HydrophobicContact CD-CB 4.23Å; K30-D55 VanDerWaalsContact CE-OD2 3.27Å; K30-D55 WeakPolarHBondContact CE-OD2 3.08Å; K30-D55 IonicContact NZ-OD2 3.48Å; K30-D55 PolarHBondContact NZ-OD2 2.93Å; K30-S95 WeakPolarHBondContact O-CA 3.48Å; K30-I96 PolarHBondContact N-O 2.81Å; K30-I96 PolarHBondContact O-N 3.4Å
31T95.9Very high89.2Confident89 Ų8972 Ų7255%0.54637%0.368SS..EExtended strand (participates in β ladder)trans-89.3132.7172.3-50.60000111P93 V94T31-P93 HydrophobicContact CG2-CB 3.88Å; T31-V94 CarbonylContact C-O 3.59Å; T31-V94 WeakPolarHBondContact CA-O 3.43Å
32F95.7Very high89.6Confident8 Ų874.7 Ų74.74%0.03538%0.379CS..EExtended strand (participates in β ladder)trans-115.7150.3-179.5-62.1-93.4000111K30 L36 D37 L38 I57 Y92 P93 V94 I96 F98K30-F32 HydrophobicContact CB-CE2 3.79Å; K30-F32 HydrophobicContact CB-CZ 3.96Å; K30-F32 HydrophobicContact CD-CE1 4.34Å; K30-F32 HydrophobicContact CD-CZ 4.09Å; K30-F32 HydrophobicContact CG-CE2 4.22Å; K30-F32 HydrophobicContact CG-CZ 4.19Å; K30-F32 WeakPolarHBondContact O-CD2 3.49Å; K30-F32 WeakPolarHBondContact O-CE2 3.46Å; F32-L36 HydrophobicContact CB-CD1 3.66Å; F32-L36 HydrophobicContact CD1-CD1 3.46Å; F32-L36 VanDerWaalsContact CD1-CD1 3.46Å; F32-L36 HydrophobicContact CD2-CD1 4.08Å; F32-L36 HydrophobicContact CE1-CD1 4.09Å; F32-L36 HydrophobicContact CG-CD1 3.44Å; F32-L36 VanDerWaalsContact CG-CD1 3.44Å; F32-D37 VanDerWaalsContact CD1-OD1 3.28Å; F32-D37 WeakPolarHBondContact CD1-OD1 3.36Å; F32-D37 VanDerWaalsContact CE1-OD1 3.23Å; F32-D37 WeakPolarHBondContact CE1-OD1 3.31Å; F32-L38 HydrophobicContact CE1-CD1 3.94Å; F32-L38 HydrophobicContact CE1-CG 4.44Å; F32-L38 HydrophobicContact CZ-CD1 3.98Å; F32-I57 HydrophobicContact CE1-CD1 4.44Å; F32-I57 HydrophobicContact CZ-CD1 3.61Å; F32-Y92 HydrophobicContact CB-CE1 4.29Å; F32-Y92 WeakPolarHBondContact O-CD1 3.28Å; F32-P93 WeakPolarHBondContact O-CA 3.25Å; F32-V94 HydrophobicContact CB-CG1 4.14Å; F32-V94 PolarHBondContact N-O 2.89Å; F32-V94 PolarHBondContact O-N 2.75Å; F32-I96 HydrophobicContact CD2-CB 4.23Å; F32-I96 HydrophobicContact CD2-CD1 4Å; F32-I96 HydrophobicContact CD2-CG1 4.05Å; F32-I96 HydrophobicContact CE2-CB 4.03Å; F32-I96 HydrophobicContact CE2-CD1 4.36Å; F32-I96 HydrophobicContact CE2-CG1 4.34Å; F32-F98 AromaticContact CE2-CE2 3.65Å; F32-F98 HydrophobicContact CE2-CE2 3.65Å; F32-F98 HydrophobicContact CE2-CZ 4.45Å; F32-F98 AromaticContact CZ-CE2 3.69Å; F32-F98 HydrophobicContact CZ-CE2 3.69Å; F32-F98 HydrophobicContact CZ-CZ 4.43Å
33S96.1Very high89.9Confident93 Ų9375.5 Ų75.565%0.6539%0.386SS*.PPolyproline II helixtrans-103.5163.6166.8-56.70000109.5P35S33-P35 CarbonylContact O-C 3.04Å; S33-P35 VanDerWaalsContact O-C 3.29Å; S33-P35 VanDerWaalsContact O-O 3.05Å
34Y94.8Very high90.3Very high123 Ų12377.9 Ų77.948%0.48240%0.397SS..SBendtrans-79.9139.9175.7-173.7-90.2000111K87 P89 Y92Y34-K87 WeakPolarHBondContact CE2-O 3.34Å; Y34-P89 HydrophobicContact CD1-CB 4.2Å; Y34-P89 HydrophobicContact CD1-CG 4.22Å; Y34-P89 HydrophobicContact CD2-CB 4.1Å; Y34-P89 HydrophobicContact CD2-CG 4.11Å; Y34-P89 HydrophobicContact CE1-CB 4.47Å; Y34-P89 HydrophobicContact CE1-CG 3.98Å; Y34-P89 HydrophobicContact CE2-CB 4.37Å; Y34-P89 HydrophobicContact CE2-CG 3.86Å; Y34-P89 HydrophobicContact CG-CB 4.01Å; Y34-P89 HydrophobicContact CG-CG 4.28Å; Y34-Y92 AromaticContact CD2-CD2 3.89Å; Y34-Y92 HydrophobicContact CD2-CD2 3.89Å; Y34-Y92 AromaticContact CD2-CE2 3.6Å; Y34-Y92 HydrophobicContact CD2-CE2 3.6Å; Y34-Y92 HydrophobicContact CE2-CE2 4.49Å; Y34-Y92 HydrophobicContact CG-CD2 4.38Å; Y34-Y92 HydrophobicContact CG-CE2 4.44Å; Y34-Y92 VanDerWaalsContact N-CD1 3.31Å
35P92.4Very high91.1Very high95 Ų9580.9 Ų80.962%0.61741%0.406SS*.SBendcis-78.3159.8-10.733.8-35.1000111.8S33 D37S33-P35 CarbonylContact O-C 3.04Å; S33-P35 VanDerWaalsContact O-C 3.29Å; S33-P35 VanDerWaalsContact O-O 3.05Å; P35-D37 PolarHBondContact O-N 3.22Å
36L92.6Very high92.1Very high34 Ų3474.5 Ų74.518%0.17838%0.383CS..PPolyproline II helixtrans-60.3133.5174.5-162.371.2000110.7F32 L38 L40 I96F32-L36 HydrophobicContact CB-CD1 3.66Å; F32-L36 HydrophobicContact CD1-CD1 3.46Å; F32-L36 VanDerWaalsContact CD1-CD1 3.46Å; F32-L36 HydrophobicContact CD2-CD1 4.08Å; F32-L36 HydrophobicContact CE1-CD1 4.09Å; F32-L36 HydrophobicContact CG-CD1 3.44Å; F32-L36 VanDerWaalsContact CG-CD1 3.44Å; L36-L38 HydrophobicContact CD2-CB 4.15Å; L36-L38 WeakPolarHBondContact CD2-O 3.48Å; L36-L38 HydrophobicContact CG-CB 4.2Å; L36-L38 PolarHBondContact O-N 3.4Å; L36-L40 HydrophobicContact CD2-CD1 3.73Å; L36-L40 HydrophobicContact CD2-CG 3.83Å; L36-I96 HydrophobicContact CD1-CD1 4.07Å
37D90.4Very high92.9Very high72 Ų7271.2 Ų71.239%0.38536%0.363SS..SBendtrans-82.85.6177.561.5-18.3000113.3F32 P35 R54F32-D37 VanDerWaalsContact CD1-OD1 3.28Å; F32-D37 WeakPolarHBondContact CD1-OD1 3.36Å; F32-D37 VanDerWaalsContact CE1-OD1 3.23Å; F32-D37 WeakPolarHBondContact CE1-OD1 3.31Å; P35-D37 PolarHBondContact O-N 3.22Å; D37-R54 IonicContact OD2-CZ 3.98Å; D37-R54 IonicContact OD2-NH1 3Å; D37-R54 PolarHBondContact OD2-NH1 3.44Å
38L93.9Very high93.2Very high12 Ų1267.9 Ų67.96%0.06335%0.349CS..SBendtrans-120.6146.5178.9-59.7172.5000110.3F32 L36 L40 I57 F98F32-L38 HydrophobicContact CE1-CD1 3.94Å; F32-L38 HydrophobicContact CE1-CG 4.44Å; F32-L38 HydrophobicContact CZ-CD1 3.98Å; L36-L38 HydrophobicContact CD2-CB 4.15Å; L36-L38 WeakPolarHBondContact CD2-O 3.48Å; L36-L38 HydrophobicContact CG-CB 4.2Å; L36-L38 PolarHBondContact O-N 3.4Å; L38-L40 HydrophobicContact CB-CD2 4.39Å; L38-I57 HydrophobicContact CD1-CD1 3.89Å; L38-I57 HydrophobicContact CD1-CG2 3.91Å; L38-F98 HydrophobicContact CD1-CE1 4.46Å; L38-F98 HydrophobicContact CD1-CE2 4.12Å; L38-F98 HydrophobicContact CD1-CZ 3.86Å
39V94.9Very high93.3Very high68 Ų6866.5 Ų66.541%0.41234%0.341SS..EExtended strand (participates in β ladder)trans-100110.7174-172.10000109.2S50 F51V39-S50 WeakPolarHBondContact CG1-OG 3.27Å; V39-S50 PolarHBondContact O-N 3.34Å; V39-S50 PolarHBondContact O-OG 3.47Å; V39-F51 HydrophobicContact CB-CB 3.89Å; V39-F51 HydrophobicContact CG2-CB 3.99Å; V39-F51 HydrophobicContact CG2-CD1 4.12Å; V39-F51 PolarHBondContact N-O 3.34Å; V39-F51 PolarHBondContact O-N 3Å
40L95.8Very high93.3Very high18 Ų1863.8 Ų63.89%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-95.7148.2176.9-52.9-175.2000111.1L36 L38 V47 V48 V49 V63 L83 L86 F98L36-L40 HydrophobicContact CD2-CD1 3.73Å; L36-L40 HydrophobicContact CD2-CG 3.83Å; L38-L40 HydrophobicContact CB-CD2 4.39Å; L40-V47 HydrophobicContact CB-CG1 3.83Å; L40-V47 HydrophobicContact CD1-CG1 4.07Å; L40-V47 HydrophobicContact CG-CG1 4.47Å; L40-V48 CarbonylContact C-O 3.58Å; L40-V48 VanDerWaalsContact CA-O 3.31Å; L40-V48 WeakPolarHBondContact CA-O 3.46Å; L40-V49 HydrophobicContact CD2-CB 4.25Å; L40-V49 HydrophobicContact CD2-CG2 3.7Å; L40-V63 HydrophobicContact CD1-CG2 4.03Å; L40-L83 HydrophobicContact CB-CD2 3.59Å; L40-L86 HydrophobicContact CD1-CD1 3.55Å; L40-F98 HydrophobicContact CD2-CE1 3.92Å; L40-F98 HydrophobicContact CD2-CZ 4.45Å
41K95.4Very high93.3Very high122 Ų12268.6 Ų68.653%0.5335%0.353SS..EExtended strand (participates in β ladder)trans-140.6155.5175.1-69.7-177.5-173.7178.50110.9V47 V48 S50K41-V47 WeakPolarHBondContact O-CA 3.5Å; K41-V48 PolarHBondContact N-O 3.49Å; K41-V48 WeakPolarHBondContact O-CG2 3.26Å; K41-V48 PolarHBondContact O-N 3.01Å; K41-S50 WeakPolarHBondContact CD-OG 3.18Å; K41-S50 WeakPolarHBondContact CE-OG 3.27Å; K41-S50 WeakPolarHBondContact CG-OG 3.47Å
42H94.7Very high92.9Very high84 Ų8465.2 Ų65.239%0.38934%0.336SS..EExtended strand (participates in β ladder)trans-70.9134.6165.2-60.9-65000110D81 L83H42-D81 IonicContact CE1-OD1 3.75Å; H42-D81 IonicContact CE1-OD2 3.65Å; H42-D81 PolarHBondContact CE1-OD2 3.34Å; H42-D81 IonicContact NE2-OD1 2.98Å; H42-D81 IonicContact NE2-OD2 3.95Å; H42-D81 PolarHBondContact NE2-OD2 3.36Å; H42-L83 VanDerWaalsContact CD2-CD1 3.47Å; H42-L83 WeakPolarHBondContact CD2-CD1 3.24Å; H42-L83 WeakPolarHBondContact NE2-CD1 3.32Å
43H88.9Confident92.6Very high115 Ų11571.2 Ų71.253%0.53236%0.364SS..EExtended strand (participates in β ladder)trans-143.2116.8169.8-17069.4000107.8E45 K46 V48H43-E45 PolarHBondContact O-N 2.92Å; H43-K46 PolarHBondContact N-O 2.98Å; H43-K46 PolarHBondContact O-N 3.45Å; H43-K46 VanDerWaalsContact O-O 3.11Å; H43-V48 HydrophobicContact CB-CB 4.46Å; H43-V48 HydrophobicContact CB-CG1 4.08Å; H43-V48 HydrophobicContact CB-CG2 3.5Å; H43-V48 VanDerWaalsContact CB-CG2 3.5Å
44D84.8Confident92.2Very high117 Ų11773.3 Ų73.363%0.62636%0.358SS*.THydrogen-bonded Turntrans50-129.7-164.7-55.3-38.2000111.2K46D44-K46 VanDerWaalsContact C-N 3.31Å; D44-K46 PolarHBondContact O-N 3.07Å
45E87.3Confident91.8Very high120 Ų12071.9 Ų71.956%0.56136%0.359SS*.THydrogen-bonded Turntrans-93.926.3177-66.4-58.6145.400112.8H43 G73 K74H43-E45 PolarHBondContact O-N 2.92Å; E45-G73 CarbonylContact O-C 3.56Å; E45-G73 WeakPolarHBondContact O-CA 3.31Å; E45-K74 PolarHBondContact O-N 2.85Å; E45-K74 IonicContact OE1-NZ 3.83Å; E45-K74 PolarHBondContact OE1-NZ 3.24Å; E45-K74 IonicContact OE2-NZ 3.22Å; E45-K74 PolarHBondContact OE2-NZ 3.31Å
46K91.1Very high91.6Very high60 Ų6069.3 Ų69.326%0.26135%0.349SS..EExtended strand (participates in β ladder)trans-131.7157.8-176.6-57.7172.1-171.5158.80111H43 D44 V62 A101 E107H43-K46 PolarHBondContact N-O 2.98Å; H43-K46 PolarHBondContact O-N 3.45Å; H43-K46 VanDerWaalsContact O-O 3.11Å; D44-K46 VanDerWaalsContact C-N 3.31Å; D44-K46 PolarHBondContact O-N 3.07Å; K46-V62 HydrophobicContact CB-CG1 4.06Å; K46-V62 HydrophobicContact CD-CG1 4.04Å; K46-A101 HydrophobicContact CD-CB 3.87Å; K46-E107 IonicContact NZ-OE1 2.89Å; K46-E107 IonicContact NZ-OE2 3.42Å
47V95.2Very high91.6Very high1 Ų167.8 Ų67.81%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-103.2119.8168.5174.20000109.4L40 K41 V62 V63 K74 I82 L83L40-V47 HydrophobicContact CB-CG1 3.83Å; L40-V47 HydrophobicContact CD1-CG1 4.07Å; L40-V47 HydrophobicContact CG-CG1 4.47Å; K41-V47 WeakPolarHBondContact O-CA 3.5Å; V47-V62 CarbonylContact O-C 3.59Å; V47-V62 VanDerWaalsContact O-CA 3.24Å; V47-V62 WeakPolarHBondContact O-CA 3.49Å; V47-V63 HydrophobicContact CB-CB 4.47Å; V47-V63 HydrophobicContact CB-CG2 4.27Å; V47-V63 HydrophobicContact CG1-CG2 3.92Å; V47-V63 PolarHBondContact O-N 2.91Å; V47-K74 HydrophobicContact CG2-CB 4.25Å; V47-I82 HydrophobicContact CB-CD1 4.36Å; V47-I82 HydrophobicContact CB-CG2 4.43Å; V47-I82 HydrophobicContact CG1-CG2 4.24Å; V47-I82 HydrophobicContact CG2-CB 4.05Å; V47-I82 HydrophobicContact CG2-CD1 4.05Å; V47-I82 HydrophobicContact CG2-CG2 4.26Å; V47-L83 HydrophobicContact CG1-CD2 3.77Å; V47-L83 HydrophobicContact CG2-CG 4.5Å
48V95.1Very high91.6Very high23 Ų2370 Ų7014%0.13935%0.347CS..EExtended strand (participates in β ladder)trans-114.4148-174.6-67.40000111.9L40 K41 H43 S50 H61 V62L40-V48 CarbonylContact C-O 3.58Å; L40-V48 VanDerWaalsContact CA-O 3.31Å; L40-V48 WeakPolarHBondContact CA-O 3.46Å; K41-V48 PolarHBondContact N-O 3.49Å; K41-V48 WeakPolarHBondContact O-CG2 3.26Å; K41-V48 PolarHBondContact O-N 3.01Å; H43-V48 HydrophobicContact CB-CB 4.46Å; H43-V48 HydrophobicContact CB-CG1 4.08Å; H43-V48 HydrophobicContact CB-CG2 3.5Å; H43-V48 VanDerWaalsContact CB-CG2 3.5Å; V48-S50 PolarHBondContact O-N 3.41Å; V48-H61 CarbonylContact C-O 3.51Å; V48-H61 WeakPolarHBondContact CA-O 3.4Å; V48-V62 HydrophobicContact CG1-CG1 3.58Å
49V95.6Very high91.5Very high1 Ų172.8 Ų72.81%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-69.8111.1166.5-177.70000108.3L40 G52 I57 V59 G60 H61 F98L40-V49 HydrophobicContact CD2-CB 4.25Å; L40-V49 HydrophobicContact CD2-CG2 3.7Å; V49-G52 WeakPolarHBondContact CG1-O 3.28Å; V49-I57 HydrophobicContact CG2-CG2 3.86Å; V49-V59 WeakPolarHBondContact O-CA 3.49Å; V49-G60 PolarHBondContact O-N 2.96Å; V49-H61 HydrophobicContact CG2-CB 4.22Å; V49-H61 PolarHBondContact N-O 3.19Å; V49-F98 HydrophobicContact CG2-CD1 3.61Å; V49-F98 HydrophobicContact CG2-CE1 3.61Å
50S94.4Very high91.2Very high35 Ų3571.7 Ų71.725%0.24537%0.367CS..EExtended strand (participates in β ladder)trans-94.4-27.4179.470.50000113.1V39 K41 V48V39-S50 WeakPolarHBondContact CG1-OG 3.27Å; V39-S50 PolarHBondContact O-N 3.34Å; V39-S50 PolarHBondContact O-OG 3.47Å; K41-S50 WeakPolarHBondContact CD-OG 3.18Å; K41-S50 WeakPolarHBondContact CE-OG 3.27Å; K41-S50 WeakPolarHBondContact CG-OG 3.47Å; V48-S50 PolarHBondContact O-N 3.41Å
51F93.8Very high91.1Very high151 Ų15171 Ų7166%0.66236%0.364SS*.EExtended strand (participates in β ladder)trans-153.8151176.9-174.3-94.9000111V39V39-F51 HydrophobicContact CB-CB 3.89Å; V39-F51 HydrophobicContact CG2-CB 3.99Å; V39-F51 HydrophobicContact CG2-CD1 4.12Å; V39-F51 PolarHBondContact N-O 3.34Å; V39-F51 PolarHBondContact O-N 3Å
52G88.6Confident91.1Very high18 Ų1865.6 Ų65.619%0.18634%0.341CS..  trans93.9133.4-174.200000112V49V49-G52 WeakPolarHBondContact CG1-O 3.28Å
53Q89.9Confident91.1Very high133 Ų13362 Ų6262%0.62133%0.325SS*.  trans-137.2124173.9-60.5-169.42.500108.9I57 V59Q53-I57 VanDerWaalsContact CA-O 3.26Å; Q53-I57 WeakPolarHBondContact CA-O 3.2Å; Q53-V59 HydrophobicContact CG-CG2 3.92Å
54R86.7Confident91.3Very high137 Ų13758.6 Ų58.652%0.51731%0.31SS..BIsolated β-bridgetrans-160.9144.1-176.8-168.4-179173.8175.310.3110.9D37 G56 I57D37-R54 IonicContact OD2-CZ 3.98Å; D37-R54 IonicContact OD2-NH1 3Å; D37-R54 PolarHBondContact OD2-NH1 3.44Å; R54-G56 PolarHBondContact O-N 3Å; R54-G56 VanDerWaalsContact O-N 3.08Å; R54-I57 PolarHBondContact N-O 2.99Å; R54-I57 VanDerWaalsContact N-O 3.15Å; R54-I57 VanDerWaalsContact O-CB 3.29Å; R54-I57 WeakPolarHBondContact O-CB 3.44Å; R54-I57 PolarHBondContact O-N 2.79Å
55D86.9Confident91.8Very high94 Ų9453 Ų5350%0.50328%0.28SS..THydrogen-bonded Turntrans50.937.3171.8-54.3-33.5000113.8V28 K30V28-D55 VanDerWaalsContact CG1-O 3.29Å; V28-D55 WeakPolarHBondContact CG1-O 3.21Å; K30-D55 HydrophobicContact CD-CB 4.23Å; K30-D55 VanDerWaalsContact CE-OD2 3.27Å; K30-D55 WeakPolarHBondContact CE-OD2 3.08Å; K30-D55 IonicContact NZ-OD2 3.48Å; K30-D55 PolarHBondContact NZ-OD2 2.93Å
56G87.2Confident92.3Very high41 Ų4147.8 Ų47.842%0.42326%0.256SS..THydrogen-bonded Turntrans88.7-7.9-179.100000115.2R54 H61R54-G56 PolarHBondContact O-N 3Å; R54-G56 VanDerWaalsContact O-N 3.08Å; G56-H61 PolarHBondContact O-CE1 2.87Å
57I92.3Very high92.5Very high2 Ų248.6 Ų48.61%0.0126%0.264CS..BIsolated β-bridgetrans-78.3125172.6-53.9167.3000108.6V28 F32 L38 V49 Q53 R54 F98V28-I57 HydrophobicContact CB-CG1 4.21Å; V28-I57 HydrophobicContact CG1-CG1 3.85Å; F32-I57 HydrophobicContact CE1-CD1 4.44Å; F32-I57 HydrophobicContact CZ-CD1 3.61Å; L38-I57 HydrophobicContact CD1-CD1 3.89Å; L38-I57 HydrophobicContact CD1-CG2 3.91Å; V49-I57 HydrophobicContact CG2-CG2 3.86Å; Q53-I57 VanDerWaalsContact CA-O 3.26Å; Q53-I57 WeakPolarHBondContact CA-O 3.2Å; R54-I57 PolarHBondContact N-O 2.99Å; R54-I57 VanDerWaalsContact N-O 3.15Å; R54-I57 VanDerWaalsContact O-CB 3.29Å; R54-I57 WeakPolarHBondContact O-CB 3.44Å; R54-I57 PolarHBondContact O-N 2.79Å; I57-F98 HydrophobicContact CD1-CD2 3.54Å; I57-F98 HydrophobicContact CD1-CE2 3.75Å; I57-F98 HydrophobicContact CD1-CG 4.35Å; I57-F98 HydrophobicContact CG1-CB 4.38Å; I57-F98 HydrophobicContact CG1-CD2 3.91Å; I57-F98 HydrophobicContact CG1-CG 4.31Å; I57-F98 HydrophobicContact CG2-CB 4.24Å; I57-F98 HydrophobicContact CG2-CD1 4.25Å; I57-F98 HydrophobicContact CG2-CD2 4.2Å; I57-F98 HydrophobicContact CG2-CG 3.97Å
58K91.3Very high92.4Very high117 Ų11750.6 Ų50.651%0.50928%0.284SS..  trans-116.9156.9-179.5-63.8-174177.9-1750111.1G60 H61K58-G60 PolarHBondContact O-N 2.87Å; K58-H61 PolarHBondContact N-ND1 3.13Å; K58-H61 VanDerWaalsContact O-CB 3.31Å; K58-H61 WeakPolarHBondContact O-CB 3.19Å; K58-H61 PolarHBondContact O-N 3.42Å; K58-H61 VanDerWaalsContact O-N 3.07Å
59V91.5Very high92.4Very high71 Ų7153.4 Ų53.443%0.4330%0.301SS..THydrogen-bonded Turntrans-57.3136.1169.3174.50000109V49 Q53 H61V49-V59 WeakPolarHBondContact O-CA 3.49Å; Q53-V59 HydrophobicContact CG-CG2 3.92Å; V59-H61 VanDerWaalsContact C-N 3.35Å
60G89.6Confident92.3Very high45 Ų4558.2 Ų58.246%0.46433%0.327SS..THydrogen-bonded Turntrans87.2-7.2-174.200000114.9V49 K58V49-G60 PolarHBondContact O-N 2.96Å; K58-G60 PolarHBondContact O-N 2.87Å
61H93.2Very high92.3Very high5 Ų557.6 Ų57.62%0.02332%0.322CS..PPolyproline II helixtrans-64.2141.2166.8-74.8-170.5000110.1V48 V49 G56 K58 V59 F98 G99V48-H61 CarbonylContact C-O 3.51Å; V48-H61 WeakPolarHBondContact CA-O 3.4Å; V49-H61 HydrophobicContact CG2-CB 4.22Å; V49-H61 PolarHBondContact N-O 3.19Å; G56-H61 PolarHBondContact O-CE1 2.87Å; K58-H61 PolarHBondContact N-ND1 3.13Å; K58-H61 VanDerWaalsContact O-CB 3.31Å; K58-H61 WeakPolarHBondContact O-CB 3.19Å; K58-H61 PolarHBondContact O-N 3.42Å; K58-H61 VanDerWaalsContact O-N 3.07Å; V59-H61 VanDerWaalsContact C-N 3.35Å; H61-F98 HydrophobicContact CB-CB 4.11Å; H61-G99 CarbonylContact C-O 3.58Å; H61-G99 VanDerWaalsContact CA-O 3.29Å; H61-G99 WeakPolarHBondContact CA-O 3.39Å
62V94.2Very high92.2Very high8 Ų856.2 Ų56.25%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-96.1151.4173.8-66.60000110.4K46 V47 V48 L64 F98 G99 A101K46-V62 HydrophobicContact CB-CG1 4.06Å; K46-V62 HydrophobicContact CD-CG1 4.04Å; V47-V62 CarbonylContact O-C 3.59Å; V47-V62 VanDerWaalsContact O-CA 3.24Å; V47-V62 WeakPolarHBondContact O-CA 3.49Å; V48-V62 HydrophobicContact CG1-CG1 3.58Å; V62-L64 HydrophobicContact CG2-CD2 3.57Å; V62-L64 HydrophobicContact CG2-CG 4.26Å; V62-L64 PolarHBondContact O-N 2.79Å; V62-F98 CarbonylContact O-C 3.55Å; V62-F98 VanDerWaalsContact O-CA 3.28Å; V62-F98 WeakPolarHBondContact O-CA 3.15Å; V62-G99 VanDerWaalsContact CG2-O 3.28Å; V62-G99 WeakPolarHBondContact CG2-O 3.45Å; V62-G99 PolarHBondContact N-O 3.24Å; V62-G99 PolarHBondContact O-N 2.91Å; V62-A101 HydrophobicContact CB-CB 4.39Å; V62-A101 HydrophobicContact CG1-CB 3.77Å; V62-A101 HydrophobicContact CG2-CB 3.7Å
63V95.3Very high92.2Very high7 Ų757 Ų574%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-70.1122165179.30000108.2L40 V47 I66 V71 I82 I96 F98L40-V63 HydrophobicContact CD1-CG2 4.03Å; V47-V63 HydrophobicContact CB-CB 4.47Å; V47-V63 HydrophobicContact CB-CG2 4.27Å; V47-V63 HydrophobicContact CG1-CG2 3.92Å; V47-V63 PolarHBondContact O-N 2.91Å; V63-I66 HydrophobicContact CG1-CD1 4.22Å; V63-I66 HydrophobicContact CG1-CG1 3.92Å; V63-V71 HydrophobicContact CG1-CG1 4.02Å; V63-V71 HydrophobicContact CG1-CG2 4.28Å; V63-V71 VanDerWaalsContact O-CG2 3.23Å; V63-V71 WeakPolarHBondContact O-CG2 3.49Å; V63-I82 HydrophobicContact CG1-CD1 4.49Å; V63-I96 HydrophobicContact CG1-CG2 3.81Å; V63-I96 HydrophobicContact CG2-CG2 4.2Å; V63-F98 HydrophobicContact CG2-CD1 4.2Å; V63-F98 HydrophobicContact CG2-CE1 3.73Å
64L94.3Very high92.4Very high44 Ų4453.7 Ų53.723%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-101.8-40179.8-62.6178.1000111.7E27 V62 D70 V71 R97E27-L64 HydrophobicContact CG-CD1 3.76Å; V62-L64 HydrophobicContact CG2-CD2 3.57Å; V62-L64 HydrophobicContact CG2-CG 4.26Å; V62-L64 PolarHBondContact O-N 2.79Å; L64-D70 WeakPolarHBondContact O-CA 3.42Å; L64-V71 PolarHBondContact O-N 3.01Å; L64-R97 HydrophobicContact CB-CB 4.5Å; L64-R97 PolarHBondContact N-O 2.86Å
65S95.4Very high92.8Very high0 Ų049.4 Ų49.40%030%0.299CS..EExtended strand (participates in β ladder)trans-150.4155.3178.172.70000111.4V69 D70 I96 R97S65-V69 CarbonylContact C-O 3.52Å; S65-V69 WeakPolarHBondContact CA-O 3.23Å; S65-V69 WeakPolarHBondContact CB-O 3.19Å; S65-D70 WeakPolarHBondContact CB-OD1 2.97Å; S65-I96 WeakPolarHBondContact O-CA 3.47Å; S65-R97 PolarHBondContact N-O 2.93Å; S65-R97 PolarHBondContact O-N 3.39Å; S65-R97 WeakPolarHBondContact OG-CB 3.28Å; S65-R97 PolarHBondContact OG-NH1 2.84Å
66I96.3Very high93.1Very high10 Ų1045.4 Ų45.45%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-127127.7174.3-63.3177.2000107.8V63 G68 V69 V71 T76 I82 Y85 V94 S95V63-I66 HydrophobicContact CG1-CD1 4.22Å; V63-I66 HydrophobicContact CG1-CG1 3.92Å; I66-G68 PolarHBondContact O-N 2.94Å; I66-V69 PolarHBondContact N-O 3.34Å; I66-V69 PolarHBondContact O-N 2.81Å; I66-V71 HydrophobicContact CB-CG1 4.43Å; I66-V71 HydrophobicContact CD1-CG1 4.02Å; I66-V71 HydrophobicContact CG1-CG1 3.85Å; I66-T76 HydrophobicContact CD1-CG2 4.27Å; I66-I82 HydrophobicContact CD1-CB 4.48Å; I66-I82 HydrophobicContact CD1-CG1 4.12Å; I66-I82 HydrophobicContact CD1-CG2 3.82Å; I66-Y85 HydrophobicContact CD1-CD1 4.44Å; I66-Y85 HydrophobicContact CG2-CD1 4.41Å; I66-Y85 HydrophobicContact CG2-CE1 3.76Å; I66-V94 HydrophobicContact CG2-CG2 3.53Å; I66-S95 CarbonylContact C-O 3.29Å; I66-S95 WeakPolarHBondContact CA-O 3.42Å
67N95.2Very high93.3Very high78 Ų7845.9 Ų45.942%0.41728%0.278SS..THydrogen-bonded Turntrans51.638.8-176.2-64.6-32.7000113.1V69 Y85 S95N67-V69 PolarHBondContact O-N 2.7Å; N67-Y85 PolarHBondContact ND2-OH 2.88Å; N67-S95 PolarHBondContact N-O 2.86Å; N67-S95 PolarHBondContact OD1-N 3.2Å
68G93.1Very high93.1Very high42 Ų4252.6 Ų52.643%0.43331%0.314SS..THydrogen-bonded Turntrans78.7-3.3-178.600000115.1I66I66-G68 PolarHBondContact O-N 2.94Å
69V95.1Very high93.1Very high82 Ų8249.3 Ų49.350%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-100.9124.4178.9-172.50000110.2S65 I66 N67 A77S65-V69 CarbonylContact C-O 3.52Å; S65-V69 WeakPolarHBondContact CA-O 3.23Å; S65-V69 WeakPolarHBondContact CB-O 3.19Å; I66-V69 PolarHBondContact N-O 3.34Å; I66-V69 PolarHBondContact O-N 2.81Å; N67-V69 PolarHBondContact O-N 2.7Å; V69-A77 HydrophobicContact CG1-CB 3.48Å; V69-A77 VanDerWaalsContact CG1-CB 3.48Å
70D94.4Very high93.2Very high103 Ų10352.1 Ų52.155%0.55132%0.32SS*.EExtended strand (participates in β ladder)trans-61.5138.3-179.3-68.9-18.4000111.4L64 S65 R97L64-D70 WeakPolarHBondContact O-CA 3.42Å; S65-D70 WeakPolarHBondContact CB-OD1 2.97Å; D70-R97 IonicContact OD1-NH1 2.88Å
71V94.4Very high93.5Very high22 Ų2251.3 Ų51.313%0.13331%0.305CS..PPolyproline II helixtrans-84.9152.8178.5-57.80000111.2V63 L64 I66 N75 I82V63-V71 HydrophobicContact CG1-CG1 4.02Å; V63-V71 HydrophobicContact CG1-CG2 4.28Å; V63-V71 VanDerWaalsContact O-CG2 3.23Å; V63-V71 WeakPolarHBondContact O-CG2 3.49Å; L64-V71 PolarHBondContact O-N 3.01Å; I66-V71 HydrophobicContact CB-CG1 4.43Å; I66-V71 HydrophobicContact CD1-CG1 4.02Å; I66-V71 HydrophobicContact CG1-CG1 3.85Å; V71-N75 WeakPolarHBondContact CB-O 3.47Å; V71-I82 HydrophobicContact CB-CD1 3.78Å; V71-I82 HydrophobicContact CG1-CD1 3.83Å; V71-I82 HydrophobicContact CG1-CG1 4.35Å; V71-I82 HydrophobicContact CG2-CD1 3.96Å
72L91.3Very high93.7Very high122 Ų12251 Ų5164%0.63930%0.304SS*.BIsolated β-bridgetrans-105.386.5177.4-64.2175.8000109.1K74 N75L72-K74 PolarHBondContact O-N 2.8Å; L72-K74 VanDerWaalsContact O-N 3.09Å; L72-N75 PolarHBondContact N-O 3.35Å; L72-N75 PolarHBondContact O-N 2.8Å
73G89.1Confident93.7Very high33 Ų3352.2 Ų52.234%0.3431%0.309SS..THydrogen-bonded Turntrans65.8-107.1-178.700000112.1E45E45-G73 CarbonylContact O-C 3.56Å; E45-G73 WeakPolarHBondContact O-CA 3.31Å
74K93.8Very high93.7Very high65 Ų6558.3 Ų58.328%0.28334%0.337SS..THydrogen-bonded Turntrans-96.5-2176.368.3-167.6172.3-143.30114.2E45 V47 L72 I82E45-K74 PolarHBondContact O-N 2.85Å; E45-K74 IonicContact OE1-NZ 3.83Å; E45-K74 PolarHBondContact OE1-NZ 3.24Å; E45-K74 IonicContact OE2-NZ 3.22Å; E45-K74 PolarHBondContact OE2-NZ 3.31Å; V47-K74 HydrophobicContact CG2-CB 4.25Å; L72-K74 PolarHBondContact O-N 2.8Å; L72-K74 VanDerWaalsContact O-N 3.09Å; K74-I82 WeakPolarHBondContact O-CB 3.38Å; K74-I82 WeakPolarHBondContact O-CD1 3.41Å; K74-I82 VanDerWaalsContact O-CG1 3.25Å; K74-I82 WeakPolarHBondContact O-CG1 3.26Å; K74-I82 PolarHBondContact O-N 3.14Å
75N95.4Very high93.8Very high47 Ų4758 Ų5825%0.25133%0.333SS..BIsolated β-bridgetrans-111.9149.8-175.5-60.987.7000111.4V71 L72 G79 K80V71-N75 WeakPolarHBondContact CB-O 3.47Å; L72-N75 PolarHBondContact N-O 3.35Å; L72-N75 PolarHBondContact O-N 2.8Å; N75-G79 PolarHBondContact ND2-O 2.91Å; N75-K80 CarbonylContact C-O 3.53Å; N75-K80 WeakPolarHBondContact CA-O 3.23Å
76T93.1Very high93.7Very high10 Ų1058.6 Ų58.66%0.06134%0.337CS..  trans-66.7168.1165.369.10000110.1I66 D78 G79 K80 I82 Y85I66-T76 HydrophobicContact CD1-CG2 4.27Å; T76-D78 PolarHBondContact O-N 2.9Å; T76-D78 VanDerWaalsContact O-N 3.13Å; T76-D78 PolarHBondContact OG1-N 2.78Å; T76-G79 PolarHBondContact O-N 2.81Å; T76-K80 PolarHBondContact N-O 3.46Å; T76-K80 PolarHBondContact OG1-N 2.87Å; T76-K80 PolarHBondContact OG1-O 3.37Å; T76-I82 HydrophobicContact CG2-CG1 4.14Å; T76-Y85 HydrophobicContact CG2-CD1 4.5Å; T76-Y85 HydrophobicContact CG2-CD2 4.41Å; T76-Y85 HydrophobicContact CG2-CG 4.11Å
77A90.4Very high93.7Very high51 Ų5165 Ų6542%0.42136%0.364SS..THydrogen-bonded Turntrans-57.6-26.2175.200000113.3V69 G79V69-A77 HydrophobicContact CG1-CB 3.48Å; V69-A77 VanDerWaalsContact CG1-CB 3.48Å; A77-G79 PolarHBondContact O-N 2.91Å
78D89.6Confident93.6Very high142 Ų14265.2 Ų65.276%0.75937%0.365SS*.THydrogen-bonded Turntrans-83.25176.2-54.4-39.3000113.4T76 K80T76-D78 PolarHBondContact O-N 2.9Å; T76-D78 VanDerWaalsContact O-N 3.13Å; T76-D78 PolarHBondContact OG1-N 2.78Å; D78-K80 VanDerWaalsContact C-N 3.3Å; D78-K80 PolarHBondContact O-N 2.84Å
79G91.2Very high93.8Very high49 Ų4966.6 Ų66.651%0.50537%0.366SS..SBendtrans81.1-1.3178.700000115.3N75 T76 A77N75-G79 PolarHBondContact ND2-O 2.91Å; T76-G79 PolarHBondContact O-N 2.81Å; A77-G79 PolarHBondContact O-N 2.91Å
80K93.2Very high93.8Very high129 Ų12965.7 Ų65.756%0.56137%0.374SS*.  trans-72.8144.7176.3-67.8-176.8178.91770110.9N75 T76 D78 I82N75-K80 CarbonylContact C-O 3.53Å; N75-K80 WeakPolarHBondContact CA-O 3.23Å; T76-K80 PolarHBondContact N-O 3.46Å; T76-K80 PolarHBondContact OG1-N 2.87Å; T76-K80 PolarHBondContact OG1-O 3.37Å; D78-K80 VanDerWaalsContact C-N 3.3Å; D78-K80 PolarHBondContact O-N 2.84Å; K80-I82 PolarHBondContact O-N 3.33Å
81D96.1Very high93.8Very high28 Ų2862.9 Ų62.915%0.1536%0.359CS..BIsolated β-bridgetrans-62.7134173-176.6-87.4000110.6H42 L83 E84 Y85H42-D81 IonicContact CE1-OD1 3.75Å; H42-D81 IonicContact CE1-OD2 3.65Å; H42-D81 PolarHBondContact CE1-OD2 3.34Å; H42-D81 IonicContact NE2-OD1 2.98Å; H42-D81 IonicContact NE2-OD2 3.95Å; H42-D81 PolarHBondContact NE2-OD2 3.36Å; D81-L83 PolarHBondContact O-N 3.37Å; D81-L83 WeakPolarHBondContact OD1-CA 3.27Å; D81-L83 WeakPolarHBondContact OD1-CB 3.39Å; D81-L83 PolarHBondContact OD1-N 3.44Å; D81-E84 HydrophobicContact CB-CB 4.08Å; D81-E84 HydrophobicContact CB-CG 3.92Å; D81-E84 PolarHBondContact O-N 3.37Å; D81-E84 PolarHBondContact OD1-N 2.99Å; D81-E84 VanDerWaalsContact OD1-N 3.14Å; D81-Y85 WeakPolarHBondContact O-CB 3.29Å; D81-Y85 PolarHBondContact O-N 2.9Å
82I96.1Very high93.9Very high0 Ų063.4 Ų63.40%036%0.359CS..Hα-helixtrans-64.2-40-176.2-69.3164.8000111.4V47 V63 I66 V71 K74 T76 K80 E84 Y85 L86V47-I82 HydrophobicContact CB-CD1 4.36Å; V47-I82 HydrophobicContact CB-CG2 4.43Å; V47-I82 HydrophobicContact CG1-CG2 4.24Å; V47-I82 HydrophobicContact CG2-CB 4.05Å; V47-I82 HydrophobicContact CG2-CD1 4.05Å; V47-I82 HydrophobicContact CG2-CG2 4.26Å; V63-I82 HydrophobicContact CG1-CD1 4.49Å; I66-I82 HydrophobicContact CD1-CB 4.48Å; I66-I82 HydrophobicContact CD1-CG1 4.12Å; I66-I82 HydrophobicContact CD1-CG2 3.82Å; V71-I82 HydrophobicContact CB-CD1 3.78Å; V71-I82 HydrophobicContact CG1-CD1 3.83Å; V71-I82 HydrophobicContact CG1-CG1 4.35Å; V71-I82 HydrophobicContact CG2-CD1 3.96Å; K74-I82 WeakPolarHBondContact O-CB 3.38Å; K74-I82 WeakPolarHBondContact O-CD1 3.41Å; K74-I82 VanDerWaalsContact O-CG1 3.25Å; K74-I82 WeakPolarHBondContact O-CG1 3.26Å; K74-I82 PolarHBondContact O-N 3.14Å; T76-I82 HydrophobicContact CG2-CG1 4.14Å; K80-I82 PolarHBondContact O-N 3.33Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-Y85 PolarHBondContact O-N 2.92Å; I82-L86 HydrophobicContact CG2-CD1 3.77Å; I82-L86 HydrophobicContact CG2-CG 4.35Å; I82-L86 WeakPolarHBondContact O-CB 3.23Å; I82-L86 VanDerWaalsContact O-CG 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.47Å; I82-L86 PolarHBondContact O-N 3.15Å
83L95.7Very high94.1Very high33 Ų3362.1 Ų62.117%0.17336%0.358CS..Hα-helixtrans-70.8-33.2-179.4-61.5-170.4000111.2L40 H42 V47 D81 K87L40-L83 HydrophobicContact CB-CD2 3.59Å; H42-L83 VanDerWaalsContact CD2-CD1 3.47Å; H42-L83 WeakPolarHBondContact CD2-CD1 3.24Å; H42-L83 WeakPolarHBondContact NE2-CD1 3.32Å; V47-L83 HydrophobicContact CG1-CD2 3.77Å; V47-L83 HydrophobicContact CG2-CG 4.5Å; D81-L83 PolarHBondContact O-N 3.37Å; D81-L83 WeakPolarHBondContact OD1-CA 3.27Å; D81-L83 WeakPolarHBondContact OD1-CB 3.39Å; D81-L83 PolarHBondContact OD1-N 3.44Å; L83-K87 VanDerWaalsContact O-CG 3.26Å; L83-K87 WeakPolarHBondContact O-CG 3.37Å; L83-K87 PolarHBondContact O-N 3.15Å
84E95Very high94.5Very high134 Ų13460.5 Ų60.563%0.62634%0.341SS*.Hα-helixtrans-67.3-45.1171.2-65.5-175.8169.400111.7D81 I82 L86 K87D81-E84 HydrophobicContact CB-CB 4.08Å; D81-E84 HydrophobicContact CB-CG 3.92Å; D81-E84 PolarHBondContact O-N 3.37Å; D81-E84 PolarHBondContact OD1-N 2.99Å; D81-E84 VanDerWaalsContact OD1-N 3.14Å; I82-E84 VanDerWaalsContact C-N 3.33Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.45Å; E84-K87 PolarHBondContact O-N 3.39Å
85Y94.9Very high94.6Very high38 Ų3858.4 Ų58.415%0.14934%0.335CS..Hα-helixtrans-57.2-44176.9179.7-93.8000112.1I66 N67 T76 D81 I82 K87 D88 N91 V94I66-Y85 HydrophobicContact CD1-CD1 4.44Å; I66-Y85 HydrophobicContact CG2-CD1 4.41Å; I66-Y85 HydrophobicContact CG2-CE1 3.76Å; N67-Y85 PolarHBondContact ND2-OH 2.88Å; T76-Y85 HydrophobicContact CG2-CD1 4.5Å; T76-Y85 HydrophobicContact CG2-CD2 4.41Å; T76-Y85 HydrophobicContact CG2-CG 4.11Å; D81-Y85 WeakPolarHBondContact O-CB 3.29Å; D81-Y85 PolarHBondContact O-N 2.9Å; I82-Y85 PolarHBondContact O-N 2.92Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 3.17Å; Y85-D88 PolarHBondContact O-N 3.38Å; Y85-N91 WeakPolarHBondContact CD2-ND2 3.26Å; Y85-N91 HydrophobicContact CE1-CB 3.98Å; Y85-N91 HydrophobicContact CE2-CB 4.05Å; Y85-N91 VanDerWaalsContact CE2-CG 3.48Å; Y85-N91 PolarHBondContact O-ND2 2.96Å; Y85-V94 HydrophobicContact CE1-CG2 4.16Å
86L94.9Very high94.6Very high13 Ų1356.1 Ų56.17%0.06832%0.323CS..THydrogen-bonded Turntrans-77.5-10-178.2-66.3174.3000114.2L40 I82 E84 Y92 V94 I96L40-L86 HydrophobicContact CD1-CD1 3.55Å; I82-L86 HydrophobicContact CG2-CD1 3.77Å; I82-L86 HydrophobicContact CG2-CG 4.35Å; I82-L86 WeakPolarHBondContact O-CB 3.23Å; I82-L86 VanDerWaalsContact O-CG 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.47Å; I82-L86 PolarHBondContact O-N 3.15Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.45Å; L86-Y92 VanDerWaalsContact O-CE2 3.29Å; L86-Y92 WeakPolarHBondContact O-CE2 3.46Å; L86-Y92 PolarHBondContact O-OH 3.45Å; L86-V94 HydrophobicContact CD2-CG1 4.04Å; L86-V94 HydrophobicContact CD2-CG2 4.23Å; L86-I96 HydrophobicContact CD1-CD1 4.1Å; L86-I96 HydrophobicContact CD2-CD1 3.76Å
87K94.8Very high94.7Very high144 Ų14458.3 Ų58.363%0.62633%0.33SS*.THydrogen-bonded Turntrans-80.8-24.1174.2-81.1170.1-174.21740113.2Y34 L83 E84 Y85 P89Y34-K87 WeakPolarHBondContact CE2-O 3.34Å; L83-K87 VanDerWaalsContact O-CG 3.26Å; L83-K87 WeakPolarHBondContact O-CG 3.37Å; L83-K87 PolarHBondContact O-N 3.15Å; E84-K87 PolarHBondContact O-N 3.39Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 3.17Å; K87-P89 WeakPolarHBondContact O-CD 3.43Å
88D94.9Very high95Very high83 Ų8355.9 Ų55.944%0.44431%0.31SS..  trans-81.2116.2-178.8-177.9-4.3000110.6Y85 G90 N91 Y92Y85-D88 PolarHBondContact O-N 3.38Å; D88-G90 PolarHBondContact O-N 3.46Å; D88-G90 PolarHBondContact OD1-N 2.84Å; D88-N91 PolarHBondContact O-N 2.99Å; D88-Y92 WeakPolarHBondContact O-CD2 3.23Å
89P95.4Very high95.1Very high70 Ų7049.1 Ų49.146%0.45527%0.273SS..G310 helixtrans-59.6-25.2177.8-2031.3000113.8Y34 K87 N91 Y92Y34-P89 HydrophobicContact CD1-CB 4.2Å; Y34-P89 HydrophobicContact CD1-CG 4.22Å; Y34-P89 HydrophobicContact CD2-CB 4.1Å; Y34-P89 HydrophobicContact CD2-CG 4.11Å; Y34-P89 HydrophobicContact CE1-CB 4.47Å; Y34-P89 HydrophobicContact CE1-CG 3.98Å; Y34-P89 HydrophobicContact CE2-CB 4.37Å; Y34-P89 HydrophobicContact CE2-CG 3.86Å; Y34-P89 HydrophobicContact CG-CB 4.01Å; Y34-P89 HydrophobicContact CG-CG 4.28Å; K87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-N91 PolarHBondContact O-N 2.88Å; P89-Y92 PolarHBondContact O-N 3.4Å
90G95.8Very high94.8Very high64 Ų6455.3 Ų55.366%0.6628%0.281SS*.G310 helixtrans-67.5-16.918000000114.2D88 Y92D88-G90 PolarHBondContact O-N 3.46Å; D88-G90 PolarHBondContact OD1-N 2.84Å; G90-Y92 VanDerWaalsContact C-N 3.32Å
91N94.6Very high94.3Very high43 Ų4350.9 Ų50.923%0.2327%0.269CS..G310 helixtrans-86.5-0.8178-66.7-35.6000113.5Y85 D88 P89Y85-N91 WeakPolarHBondContact CD2-ND2 3.26Å; Y85-N91 HydrophobicContact CE1-CB 3.98Å; Y85-N91 HydrophobicContact CE2-CB 4.05Å; Y85-N91 VanDerWaalsContact CE2-CG 3.48Å; Y85-N91 PolarHBondContact O-ND2 2.96Å; D88-N91 PolarHBondContact O-N 2.99Å; P89-N91 PolarHBondContact O-N 2.88Å
92Y96.3Very high93.7Very high33 Ų3358.2 Ų58.213%0.12929%0.294CS..  trans-99.4149.3-179.8-70.5-101.9000111.4F32 Y34 L86 D88 P89 G90 V94F32-Y92 HydrophobicContact CB-CE1 4.29Å; F32-Y92 WeakPolarHBondContact O-CD1 3.28Å; Y34-Y92 AromaticContact CD2-CD2 3.89Å; Y34-Y92 HydrophobicContact CD2-CD2 3.89Å; Y34-Y92 AromaticContact CD2-CE2 3.6Å; Y34-Y92 HydrophobicContact CD2-CE2 3.6Å; Y34-Y92 HydrophobicContact CE2-CE2 4.49Å; Y34-Y92 HydrophobicContact CG-CD2 4.38Å; Y34-Y92 HydrophobicContact CG-CE2 4.44Å; Y34-Y92 VanDerWaalsContact N-CD1 3.31Å; L86-Y92 VanDerWaalsContact O-CE2 3.29Å; L86-Y92 WeakPolarHBondContact O-CE2 3.46Å; L86-Y92 PolarHBondContact O-OH 3.45Å; D88-Y92 WeakPolarHBondContact O-CD2 3.23Å; P89-Y92 PolarHBondContact O-N 3.4Å; G90-Y92 VanDerWaalsContact C-N 3.32Å; Y92-V94 HydrophobicContact CD1-CB 4.36Å; Y92-V94 HydrophobicContact CD1-CG1 3.59Å; Y92-V94 HydrophobicContact CE1-CG1 3.43Å; Y92-V94 VanDerWaalsContact CE1-CG1 3.43Å; Y92-V94 HydrophobicContact CG-CG1 4.33Å
93P96.1Very high93.2Very high95 Ų9561.8 Ų61.862%0.61731%0.313SS*.SBendcis-71.6143.51.730-35.1000113T31 F32T31-P93 HydrophobicContact CG2-CB 3.88Å; F32-P93 WeakPolarHBondContact O-CA 3.25Å
94V96.3Very high92.8Very high0 Ų062.8 Ų62.80%032%0.323CS..EExtended strand (participates in β ladder)trans-122.6128.5-17665.80000110.6T31 F32 I66 Y85 L86 Y92 I96T31-V94 CarbonylContact C-O 3.59Å; T31-V94 WeakPolarHBondContact CA-O 3.43Å; F32-V94 HydrophobicContact CB-CG1 4.14Å; F32-V94 PolarHBondContact N-O 2.89Å; F32-V94 PolarHBondContact O-N 2.75Å; I66-V94 HydrophobicContact CG2-CG2 3.53Å; Y85-V94 HydrophobicContact CE1-CG2 4.16Å; L86-V94 HydrophobicContact CD2-CG1 4.04Å; L86-V94 HydrophobicContact CD2-CG2 4.23Å; Y92-V94 HydrophobicContact CD1-CB 4.36Å; Y92-V94 HydrophobicContact CD1-CG1 3.59Å; Y92-V94 HydrophobicContact CE1-CG1 3.43Å; Y92-V94 VanDerWaalsContact CE1-CG1 3.43Å; Y92-V94 HydrophobicContact CG-CG1 4.33Å; V94-I96 HydrophobicContact CG1-CD1 4.06Å; V94-I96 HydrophobicContact CG1-CG1 4.12Å; V94-I96 HydrophobicContact CG2-CG1 4.05Å
95S96.7Very high92.6Very high20 Ų2060.6 Ų60.614%0.1432%0.322CS..EExtended strand (participates in β ladder)trans-85.3128.6168.9-171.70000109.3E29 K30 I66 N67E29-S95 WeakPolarHBondContact CG-OG 3.49Å; E29-S95 PolarHBondContact OE1-OG 2.81Å; K30-S95 WeakPolarHBondContact O-CA 3.48Å; I66-S95 CarbonylContact C-O 3.29Å; I66-S95 WeakPolarHBondContact CA-O 3.42Å; N67-S95 PolarHBondContact N-O 2.86Å; N67-S95 PolarHBondContact OD1-N 3.2Å
96I96.4Very high92.4Very high0 Ų064.7 Ų64.70%035%0.347CS..EExtended strand (participates in β ladder)trans-127.3127.4177.2-50175.7000108.6E29 K30 F32 L36 V63 S65 L86 V94 F98E29-I96 WeakPolarHBondContact CA-O 3.37Å; K30-I96 PolarHBondContact N-O 2.81Å; K30-I96 PolarHBondContact O-N 3.4Å; F32-I96 HydrophobicContact CD2-CB 4.23Å; F32-I96 HydrophobicContact CD2-CD1 4Å; F32-I96 HydrophobicContact CD2-CG1 4.05Å; F32-I96 HydrophobicContact CE2-CB 4.03Å; F32-I96 HydrophobicContact CE2-CD1 4.36Å; F32-I96 HydrophobicContact CE2-CG1 4.34Å; L36-I96 HydrophobicContact CD1-CD1 4.07Å; V63-I96 HydrophobicContact CG1-CG2 3.81Å; V63-I96 HydrophobicContact CG2-CG2 4.2Å; S65-I96 WeakPolarHBondContact O-CA 3.47Å; L86-I96 HydrophobicContact CD1-CD1 4.1Å; L86-I96 HydrophobicContact CD2-CD1 3.76Å; V94-I96 HydrophobicContact CG1-CD1 4.06Å; V94-I96 HydrophobicContact CG1-CG1 4.12Å; V94-I96 HydrophobicContact CG2-CG1 4.05Å; I96-F98 HydrophobicContact CB-CD2 4.35Å; I96-F98 HydrophobicContact CB-CE2 3.64Å; I96-F98 HydrophobicContact CB-CZ 3.98Å; I96-F98 HydrophobicContact CD1-CZ 4.27Å; I96-F98 HydrophobicContact CG2-CD1 4.49Å; I96-F98 HydrophobicContact CG2-CD2 4.04Å; I96-F98 HydrophobicContact CG2-CE1 3.99Å; I96-F98 HydrophobicContact CG2-CE2 3.48Å; I96-F98 VanDerWaalsContact CG2-CE2 3.48Å; I96-F98 HydrophobicContact CG2-CZ 3.47Å; I96-F98 VanDerWaalsContact CG2-CZ 3.47Å
97R95.2Very high92.1Very high56 Ų5666.1 Ų66.121%0.21135%0.353CS..EExtended strand (participates in β ladder)trans-95.1120.9170.7-165.3-179.2-56.8139.84.7109.5V28 E29 L64 S65 D70V28-R97 CarbonylContact O-C 3.53Å; V28-R97 WeakPolarHBondContact O-CA 3.39Å; E29-R97 HydrophobicContact CB-CB 4.22Å; E29-R97 HydrophobicContact CB-CG 4.1Å; E29-R97 HydrophobicContact CG-CB 4.2Å; E29-R97 IonicContact OE1-NH2 2.64Å; E29-R97 IonicContact OE2-CZ 3.69Å; E29-R97 VanDerWaalsContact OE2-CZ 3.29Å; E29-R97 IonicContact OE2-NE 3.05Å; E29-R97 PolarHBondContact OE2-NE 2.91Å; E29-R97 IonicContact OE2-NH2 3.62Å; E29-R97 PolarHBondContact OE2-NH2 2.88Å; L64-R97 HydrophobicContact CB-CB 4.5Å; L64-R97 PolarHBondContact N-O 2.86Å; S65-R97 PolarHBondContact N-O 2.93Å; S65-R97 PolarHBondContact O-N 3.39Å; S65-R97 WeakPolarHBondContact OG-CB 3.28Å; S65-R97 PolarHBondContact OG-NH1 2.84Å; D70-R97 IonicContact OD1-NH1 2.88Å
98F94.9Very high92.1Very high0 Ų059.9 Ų59.90%033%0.326CS..EExtended strand (participates in β ladder)trans-105.2149.4175.1-64.9-85.5000110.4E27 V28 F32 L38 L40 V49 I57 H61 V62 V63 I96E27-F98 CarbonylContact C-O 3.44Å; E27-F98 VanDerWaalsContact CA-O 3.27Å; E27-F98 WeakPolarHBondContact CA-O 3.37Å; V28-F98 PolarHBondContact N-O 3.27Å; V28-F98 PolarHBondContact O-N 3.19Å; F32-F98 AromaticContact CE2-CE2 3.65Å; F32-F98 HydrophobicContact CE2-CE2 3.65Å; F32-F98 HydrophobicContact CE2-CZ 4.45Å; F32-F98 AromaticContact CZ-CE2 3.69Å; F32-F98 HydrophobicContact CZ-CE2 3.69Å; F32-F98 HydrophobicContact CZ-CZ 4.43Å; L38-F98 HydrophobicContact CD1-CE1 4.46Å; L38-F98 HydrophobicContact CD1-CE2 4.12Å; L38-F98 HydrophobicContact CD1-CZ 3.86Å; L40-F98 HydrophobicContact CD2-CE1 3.92Å; L40-F98 HydrophobicContact CD2-CZ 4.45Å; V49-F98 HydrophobicContact CG2-CD1 3.61Å; V49-F98 HydrophobicContact CG2-CE1 3.61Å; I57-F98 HydrophobicContact CD1-CD2 3.54Å; I57-F98 HydrophobicContact CD1-CE2 3.75Å; I57-F98 HydrophobicContact CD1-CG 4.35Å; I57-F98 HydrophobicContact CG1-CB 4.38Å; I57-F98 HydrophobicContact CG1-CD2 3.91Å; I57-F98 HydrophobicContact CG1-CG 4.31Å; I57-F98 HydrophobicContact CG2-CB 4.24Å; I57-F98 HydrophobicContact CG2-CD1 4.25Å; I57-F98 HydrophobicContact CG2-CD2 4.2Å; I57-F98 HydrophobicContact CG2-CG 3.97Å; H61-F98 HydrophobicContact CB-CB 4.11Å; V62-F98 CarbonylContact O-C 3.55Å; V62-F98 VanDerWaalsContact O-CA 3.28Å; V62-F98 WeakPolarHBondContact O-CA 3.15Å; V63-F98 HydrophobicContact CG2-CD1 4.2Å; V63-F98 HydrophobicContact CG2-CE1 3.73Å; I96-F98 HydrophobicContact CB-CD2 4.35Å; I96-F98 HydrophobicContact CB-CE2 3.64Å; I96-F98 HydrophobicContact CB-CZ 3.98Å; I96-F98 HydrophobicContact CD1-CZ 4.27Å; I96-F98 HydrophobicContact CG2-CD1 4.49Å; I96-F98 HydrophobicContact CG2-CD2 4.04Å; I96-F98 HydrophobicContact CG2-CE1 3.99Å; I96-F98 HydrophobicContact CG2-CE2 3.48Å; I96-F98 VanDerWaalsContact CG2-CE2 3.48Å; I96-F98 HydrophobicContact CG2-CZ 3.47Å; I96-F98 VanDerWaalsContact CG2-CZ 3.47Å
99G91.9Very high92Very high0 Ų059.5 Ų59.50%032%0.324CS..EExtended strand (participates in β ladder)trans-168.5-175.1168.600000112.9T26 H61 V62T26-G99 WeakPolarHBondContact O-CA 3.43Å; H61-G99 CarbonylContact C-O 3.58Å; H61-G99 VanDerWaalsContact CA-O 3.29Å; H61-G99 WeakPolarHBondContact CA-O 3.39Å; V62-G99 VanDerWaalsContact CG2-O 3.28Å; V62-G99 WeakPolarHBondContact CG2-O 3.45Å; V62-G99 PolarHBondContact N-O 3.24Å; V62-G99 PolarHBondContact O-N 2.91Å
100R86.4Confident91.9Very high178 Ų17861 Ų6167%0.67233%0.326SS*.PPolyproline II helixtrans-79129.4172.1-81.7-169.3165.8-170.1-2.9110.5
101A82.3Confident91.8Very high36 Ų3661.6 Ų61.630%0.29831%0.313SS..PPolyproline II helixtrans-63.6140.8171.400000110.2K46 V62K46-A101 HydrophobicContact CD-CB 3.87Å; V62-A101 HydrophobicContact CB-CB 4.39Å; V62-A101 HydrophobicContact CG1-CB 3.77Å; V62-A101 HydrophobicContact CG2-CB 3.7Å
102R82.5Confident91.8Very high182 Ų18259.8 Ų59.869%0.68730%0.304SS*.PPolyproline II helixtrans-69.2141.9167.2-64.6-171.2-179.5-171.62.6109.4
103L86.1Confident91.7Very high76 Ų7660.9 Ų60.940%0.39832%0.317SS..PPolyproline II helixtrans-72.8126.5172.9-62.3173.3000109.4E107 K108 L111L103-E107 HydrophobicContact CB-CB 4.43Å; L103-E107 HydrophobicContact CD2-CB 4.18Å; L103-K108 HydrophobicContact CB-CG 3.93Å; L103-K108 HydrophobicContact CD1-CG 4.47Å; L103-L111 HydrophobicContact CD1-CD1 3.78Å; L103-L111 HydrophobicContact CD2-CD1 4.14Å
104S88.4Confident91.7Very high54 Ų5461 Ų6138%0.37831%0.31SS..PPolyproline II helixtrans-67.4163.2167.7670000111.3N106 E107 K108S104-N106 PolarHBondContact O-N 2.92Å; S104-E107 VanDerWaalsContact CB-OE2 3.24Å; S104-E107 WeakPolarHBondContact CB-OE2 3.42Å; S104-E107 PolarHBondContact N-OE2 3.37Å; S104-E107 PolarHBondContact O-N 3.48Å; S104-E107 WeakPolarHBondContact OG-CG 3.34Å; S104-E107 PolarHBondContact OG-N 3.05Å; S104-E107 PolarHBondContact OG-OE2 3.3Å; S104-K108 WeakPolarHBondContact O-CG 3.5Å; S104-K108 PolarHBondContact O-N 3.15Å
105S89.1Confident91.8Very high87 Ų8761.7 Ų61.761%0.60831%0.314SS*.Hα-helixtrans-57.5-37.4176-540000112.5K108 L109S105-K108 PolarHBondContact O-N 3.24Å; S105-L109 WeakPolarHBondContact O-CG 3.5Å; S105-L109 PolarHBondContact O-N 3.37Å
106N90.5Very high91.7Very high124 Ų12462.8 Ų62.866%0.66332%0.316SS*.Hα-helixtrans-70.5-41.6179-69-15.2000111.9S104 K108 L109 M110S104-N106 PolarHBondContact O-N 2.92Å; N106-K108 VanDerWaalsContact C-N 3.31Å; N106-K108 PolarHBondContact O-N 2.82Å; N106-L109 WeakPolarHBondContact O-CB 3.29Å; N106-L109 PolarHBondContact O-N 2.77Å; N106-M110 WeakPolarHBondContact O-CB 3.41Å; N106-M110 PolarHBondContact O-N 2.85Å
107E90.4Very high91.7Very high43 Ų4366 Ų6620%0.20134%0.338CS..Hα-helixtrans-61.5-40.8174.1-73.3160.9131.400110.7K46 L103 S104 M110 L111K46-E107 IonicContact NZ-OE1 2.89Å; K46-E107 IonicContact NZ-OE2 3.42Å; L103-E107 HydrophobicContact CB-CB 4.43Å; L103-E107 HydrophobicContact CD2-CB 4.18Å; S104-E107 VanDerWaalsContact CB-OE2 3.24Å; S104-E107 WeakPolarHBondContact CB-OE2 3.42Å; S104-E107 PolarHBondContact N-OE2 3.37Å; S104-E107 PolarHBondContact O-N 3.48Å; S104-E107 WeakPolarHBondContact OG-CG 3.34Å; S104-E107 PolarHBondContact OG-N 3.05Å; S104-E107 PolarHBondContact OG-OE2 3.3Å; E107-M110 PolarHBondContact O-N 2.98Å; E107-L111 WeakPolarHBondContact O-CB 3.45Å; E107-L111 VanDerWaalsContact O-CG 3.24Å; E107-L111 WeakPolarHBondContact O-CG 3.47Å; E107-L111 PolarHBondContact O-N 3.09Å
108K93.3Very high91.7Very high14 Ų1467.3 Ų67.36%0.06135%0.35CS..Hα-helixtrans-63.3-42.9175.6-69.2178.8-179.7-171.60112.6Y7 L15 Q18 D20 L103 S104 S105 N106 L111 A112Y7-K108 HydrophobicContact CE1-CB 4.45Å; Y7-K108 HydrophobicContact CE1-CD 4.46Å; Y7-K108 HydrophobicContact CE1-CG 4.36Å; L15-K108 HydrophobicContact CD2-CB 4Å; Q18-K108 HydrophobicContact CG-CD 4.33Å; D20-K108 IonicContact OD1-NZ 2.77Å; D20-K108 PolarHBondContact OD1-NZ 3.02Å; D20-K108 IonicContact OD2-NZ 3.91Å; D20-K108 PolarHBondContact OD2-NZ 2.78Å; L103-K108 HydrophobicContact CB-CG 3.93Å; L103-K108 HydrophobicContact CD1-CG 4.47Å; S104-K108 WeakPolarHBondContact O-CG 3.5Å; S104-K108 PolarHBondContact O-N 3.15Å; S105-K108 PolarHBondContact O-N 3.24Å; N106-K108 VanDerWaalsContact C-N 3.31Å; N106-K108 PolarHBondContact O-N 2.82Å; K108-L111 PolarHBondContact O-N 2.97Å; K108-A112 WeakPolarHBondContact O-CB 3.41Å; K108-A112 PolarHBondContact O-N 3.03Å
109L92.8Very high91.8Very high74 Ų7468 Ų6839%0.38735%0.353SS..Hα-helixtrans-59.6-47.5174.6-79.7162.3000111.3L15 S105 N106 A112 S113L15-L109 HydrophobicContact CB-CD2 3.69Å; L15-L109 HydrophobicContact CD2-CD2 4.49Å; S105-L109 WeakPolarHBondContact O-CG 3.5Å; S105-L109 PolarHBondContact O-N 3.37Å; N106-L109 WeakPolarHBondContact O-CB 3.29Å; N106-L109 PolarHBondContact O-N 2.77Å; L109-A112 PolarHBondContact O-N 3.5Å; L109-S113 PolarHBondContact O-N 3.13Å; L109-S113 VanDerWaalsContact O-N 3.11Å; L109-S113 PolarHBondContact O-OG 3.31Å
110M93.7Very high91.9Very high102 Ų10269.8 Ų69.850%0.50237%0.367SS..Hα-helixtrans-59.8-48.6177.5-179.3-173.670.200111.5N106 E107 A112 S113 M114N106-M110 WeakPolarHBondContact O-CB 3.41Å; N106-M110 PolarHBondContact O-N 2.85Å; E107-M110 PolarHBondContact O-N 2.98Å; M110-A112 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 2.77Å; M110-S113 PolarHBondContact O-N 3.29Å; M110-M114 HydrophobicContact CE-SD 4.42Å; M110-M114 HydrophobicContact CG-CG 4.46Å; M110-M114 HydrophobicContact CG-SD 4.03Å; M110-M114 VanDerWaalsContact O-CG 3.3Å; M110-M114 WeakPolarHBondContact O-CG 3.26Å; M110-M114 PolarHBondContact O-N 2.89Å
111L94.4Very high92.4Very high76 Ų7665.1 Ų65.140%0.39835%0.354SS..Hα-helixtrans-62.6-38.9-180-71.9169.8000112.5L103 E107 K108 M114 F115L103-L111 HydrophobicContact CD1-CD1 3.78Å; L103-L111 HydrophobicContact CD2-CD1 4.14Å; E107-L111 WeakPolarHBondContact O-CB 3.45Å; E107-L111 VanDerWaalsContact O-CG 3.24Å; E107-L111 WeakPolarHBondContact O-CG 3.47Å; E107-L111 PolarHBondContact O-N 3.09Å; K108-L111 PolarHBondContact O-N 2.97Å; L111-M114 HydrophobicContact CD2-SD 4.39Å; L111-M114 PolarHBondContact O-N 3.15Å; L111-F115 PolarHBondContact O-N 2.84Å
112A94.8Very high93Very high5 Ų564.8 Ų64.84%0.04136%0.355CS..Hα-helixtrans-61.8-44.9174.700000112V9 L15 K108 L109 M110 F115 H116V9-A112 HydrophobicContact CG2-CB 3.9Å; L15-A112 HydrophobicContact CB-CB 3.89Å; L15-A112 HydrophobicContact CD1-CB 4Å; L15-A112 HydrophobicContact CG-CB 4.37Å; K108-A112 WeakPolarHBondContact O-CB 3.41Å; K108-A112 PolarHBondContact O-N 3.03Å; L109-A112 PolarHBondContact O-N 3.5Å; M110-A112 VanDerWaalsContact C-N 3.34Å; M110-A112 PolarHBondContact O-N 2.77Å; A112-F115 PolarHBondContact O-N 3.13Å; A112-H116 PolarHBondContact O-N 3.38Å
113S94.3Very high93.6Very high56 Ų5658.4 Ų58.439%0.39234%0.338SS..Hα-helixtrans-64.7-39.6175.5-61.20000112.2G13 L109 M110 H116 S117G13-S113 PolarHBondContact O-OG 2.97Å; L109-S113 PolarHBondContact O-N 3.13Å; L109-S113 VanDerWaalsContact O-N 3.11Å; L109-S113 PolarHBondContact O-OG 3.31Å; M110-S113 PolarHBondContact O-N 3.29Å; S113-H116 WeakPolarHBondContact O-CB 3.36Å; S113-H116 PolarHBondContact O-N 3.41Å; S113-S117 PolarHBondContact O-N 3.31Å; S113-S117 PolarHBondContact O-OG 3.46Å
114M96.1Very high93.9Very high98 Ų9862.5 Ų62.548%0.48336%0.355SS..Hα-helixtrans-63-45.6175.4-72.1174.769.700111.4M110 L111 H116 S117 L118M110-M114 HydrophobicContact CE-SD 4.42Å; M110-M114 HydrophobicContact CG-CG 4.46Å; M110-M114 HydrophobicContact CG-SD 4.03Å; M110-M114 VanDerWaalsContact O-CG 3.3Å; M110-M114 WeakPolarHBondContact O-CG 3.26Å; M110-M114 PolarHBondContact O-N 2.89Å; L111-M114 HydrophobicContact CD2-SD 4.39Å; L111-M114 PolarHBondContact O-N 3.15Å; M114-H116 VanDerWaalsContact C-N 3.27Å; M114-H116 PolarHBondContact O-N 3.41Å; M114-S117 PolarHBondContact O-N 2.64Å; M114-L118 WeakPolarHBondContact O-CG 2.93Å; M114-L118 PolarHBondContact O-N 2.99Å
115F96.8Very high94.3Very high15 Ų1566.4 Ų66.47%0.06637%0.371CS..Hα-helixtrans-60.9-38.2176.2-178-94.2000111.7L111 A112 S117 L118 F119 I134 L144 C146 I156L111-F115 PolarHBondContact O-N 2.84Å; A112-F115 PolarHBondContact O-N 3.13Å; F115-S117 VanDerWaalsContact C-N 3.33Å; F115-S117 PolarHBondContact O-N 2.9Å; F115-L118 PolarHBondContact O-N 3.42Å; F115-F119 HydrophobicContact CE1-CB 4.34Å; F115-F119 HydrophobicContact CE1-CD2 4.35Å; F115-F119 VanDerWaalsContact O-CB 3.3Å; F115-F119 WeakPolarHBondContact O-CB 3.18Å; F115-F119 PolarHBondContact O-N 3.09Å; F115-I134 HydrophobicContact CE2-CG2 4.28Å; F115-I134 HydrophobicContact CZ-CB 4.41Å; F115-I134 HydrophobicContact CZ-CG2 4.4Å; F115-L144 HydrophobicContact CD2-CD1 4.23Å; F115-L144 HydrophobicContact CD2-CD2 4.44Å; F115-L144 HydrophobicContact CE2-CD1 4.11Å; F115-L144 HydrophobicContact CE2-CD2 3.57Å; F115-L144 HydrophobicContact CZ-CD2 3.74Å; F115-C146 HydrophobicContact CE1-CB 4.06Å; F115-C146 HydrophobicContact CZ-CB 3.74Å; F115-I156 HydrophobicContact CD1-CD1 3.36Å; F115-I156 HydrophobicContact CD1-CG1 4.34Å; F115-I156 HydrophobicContact CE1-CD1 3.54Å; F115-I156 HydrophobicContact CE1-CG1 4.02Å; F115-I156 HydrophobicContact CG-CD1 4.12Å; F115-I156 HydrophobicContact CZ-CD1 4.42Å
116H94.7Very high94.6Very high43 Ų4364 Ų6420%0.19935%0.354CS..Hα-helixtrans-56.8-45.9175-178.192.2000112.2K11 G13 A112 S113 M114 A120 K154K11-H116 PolarHBondContact O-CE1 3.07Å; G13-H116 VanDerWaalsContact CA-CG 3.46Å; G13-H116 WeakPolarHBondContact CA-ND1 3.2Å; G13-H116 PolarHBondContact N-ND1 3.02Å; A112-H116 PolarHBondContact O-N 3.38Å; S113-H116 WeakPolarHBondContact O-CB 3.36Å; S113-H116 PolarHBondContact O-N 3.41Å; M114-H116 VanDerWaalsContact C-N 3.27Å; M114-H116 PolarHBondContact O-N 3.41Å; H116-A120 PolarHBondContact O-N 3.09Å; H116-K154 PolarHBondContact CE1-NZ 3.41Å; H116-K154 PolarHBondContact ND1-NZ 3.26Å
117S96.2Very high94.8Very high66 Ų6664 Ų6446%0.46236%0.361SS..Hα-helixtrans-65.8-44.6176-600000112S113 M114 F115 F119 A120 I121S113-S117 PolarHBondContact O-N 3.31Å; S113-S117 PolarHBondContact O-OG 3.46Å; M114-S117 PolarHBondContact O-N 2.64Å; F115-S117 VanDerWaalsContact C-N 3.33Å; F115-S117 PolarHBondContact O-N 2.9Å; S117-F119 VanDerWaalsContact C-N 3.31Å; S117-F119 PolarHBondContact O-N 2.79Å; S117-A120 PolarHBondContact O-N 3.47Å; S117-I121 VanDerWaalsContact O-CG1 3.29Å; S117-I121 WeakPolarHBondContact O-CG1 3.43Å; S117-I121 PolarHBondContact O-N 2.91Å
118L96.5Very high95.1Very high85 Ų8568.9 Ų68.945%0.44538%0.384SS..Hα-helixtrans-60.2-41.3177.4-71174.1000112M114 F115 A120 I121 G122 I134M114-L118 WeakPolarHBondContact O-CG 2.93Å; M114-L118 PolarHBondContact O-N 2.99Å; F115-L118 PolarHBondContact O-N 3.42Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.07Å; L118-I121 PolarHBondContact O-N 3.09Å; L118-G122 PolarHBondContact O-N 3.41Å; L118-I134 HydrophobicContact CB-CD1 3.96Å; L118-I134 WeakPolarHBondContact O-CD1 3.34Å
119F96.5Very high94.9Very high15 Ų1575.3 Ų75.37%0.06642%0.424CS..Hα-helixtrans-57.2-46.6175.7178.8-83.9000111.5F115 S117 G122 S123 G133 I134 Q148 K154F115-F119 HydrophobicContact CE1-CB 4.34Å; F115-F119 HydrophobicContact CE1-CD2 4.35Å; F115-F119 VanDerWaalsContact O-CB 3.3Å; F115-F119 WeakPolarHBondContact O-CB 3.18Å; F115-F119 PolarHBondContact O-N 3.09Å; S117-F119 VanDerWaalsContact C-N 3.31Å; S117-F119 PolarHBondContact O-N 2.79Å; F119-G122 PolarHBondContact O-N 3.48Å; F119-S123 PolarHBondContact O-N 2.93Å; F119-G133 VanDerWaalsContact CZ-CA 3.45Å; F119-G133 VanDerWaalsContact O-CA 3.24Å; F119-G133 WeakPolarHBondContact O-CA 3.25Å; F119-I134 HydrophobicContact CD2-CB 4.3Å; F119-I134 VanDerWaalsContact CD2-N 3.27Å; F119-I134 VanDerWaalsContact CD2-O 3.27Å; F119-I134 WeakPolarHBondContact CD2-O 3.32Å; F119-I134 WeakPolarHBondContact CE2-O 3.24Å; F119-Q148 HydrophobicContact CZ-CB 4.09Å; F119-Q148 HydrophobicContact CZ-CG 4.47Å; F119-K154 HydrophobicContact CD1-CD 4.48Å; F119-K154 HydrophobicContact CD2-CD 4.37Å; F119-K154 HydrophobicContact CG-CD 4.28Å
120A94.9Very high94.7Very high36 Ų3675.6 Ų75.630%0.29845%0.445SS..Hα-helixtrans-68.6-41.9179.400000112.3H116 S117 L118 G122 S123 Q124H116-A120 PolarHBondContact O-N 3.09Å; S117-A120 PolarHBondContact O-N 3.47Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.07Å; A120-G122 VanDerWaalsContact C-N 3.3Å; A120-G122 PolarHBondContact O-N 3.05Å; A120-S123 PolarHBondContact O-N 3.47Å; A120-Q124 WeakPolarHBondContact O-CG 3.41Å; A120-Q124 PolarHBondContact O-N 3.45Å
121I96.4Very high94.5Very high80 Ų8073 Ų7341%0.4144%0.436SS..Hα-helixtrans-59.6-43.2175.6-68.9165.1000110.5S117 L118 S123 Q124 L125S117-I121 VanDerWaalsContact O-CG1 3.29Å; S117-I121 WeakPolarHBondContact O-CG1 3.43Å; S117-I121 PolarHBondContact O-N 2.91Å; L118-I121 PolarHBondContact O-N 3.09Å; I121-S123 VanDerWaalsContact C-N 3.29Å; I121-S123 PolarHBondContact O-N 3.06Å; I121-Q124 PolarHBondContact O-N 3.41Å; I121-L125 HydrophobicContact CG2-CD1 3.53Å; I121-L125 HydrophobicContact CG2-CG 4.06Å; I121-L125 WeakPolarHBondContact O-CB 3.49Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 2.83Å
122G95.2Very high94.4Very high30 Ų3071.7 Ų71.731%0.30943%0.434SS..Hα-helixtrans-58.8-39.4177.400000113.1L118 F119 A120 S126L118-G122 PolarHBondContact O-N 3.41Å; F119-G122 PolarHBondContact O-N 3.48Å; A120-G122 VanDerWaalsContact C-N 3.3Å; A120-G122 PolarHBondContact O-N 3.05Å; G122-S126 PolarHBondContact O-N 2.84Å
123S94.2Very high94.3Very high47 Ų4771.9 Ų71.933%0.32944%0.436SS..Hα-helixtrans-70.7-42.9175-178.30000112.1F119 A120 I121 S126 S131 S132F119-S123 PolarHBondContact O-N 2.93Å; A120-S123 PolarHBondContact O-N 3.47Å; I121-S123 VanDerWaalsContact C-N 3.29Å; I121-S123 PolarHBondContact O-N 3.06Å; S123-S126 WeakPolarHBondContact O-CB 3.38Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S131 PolarHBondContact OG-O 2.89Å; S123-S131 VanDerWaalsContact OG-O 3.09Å; S123-S132 WeakPolarHBondContact CA-O 3.37Å; S123-S132 WeakPolarHBondContact CB-O 3.45Å
124Q93.7Very high94.4Very high162 Ų16271.1 Ų71.176%0.75743%0.428SS*.Hα-helixtrans-69-34.8-178.1-73.3-179.54.600113.9A120 I121 S126A120-Q124 WeakPolarHBondContact O-CG 3.41Å; A120-Q124 PolarHBondContact O-N 3.45Å; I121-Q124 PolarHBondContact O-N 3.41Å; Q124-S126 VanDerWaalsContact C-N 3.28Å
125L96.1Very high94.4Very high137 Ų13772.2 Ų72.272%0.71743%0.431SS*.THydrogen-bonded Turntrans-88.12.9178.8-64.2-178.2000112.9I121I121-L125 HydrophobicContact CG2-CD1 3.53Å; I121-L125 HydrophobicContact CG2-CG 4.06Å; I121-L125 WeakPolarHBondContact O-CB 3.49Å; I121-L125 WeakPolarHBondContact O-CG 3.48Å; I121-L125 PolarHBondContact O-N 2.83Å
126S95.3Very high94.4Very high36 Ų3676.3 Ų76.325%0.25245%0.452SS..  trans-66.7133.3-178.6-169.30000111.1G122 S123 Q124 E128 S131G122-S126 PolarHBondContact O-N 2.84Å; S123-S126 WeakPolarHBondContact O-CB 3.38Å; S123-S126 PolarHBondContact O-N 2.9Å; Q124-S126 VanDerWaalsContact C-N 3.28Å; S126-E128 PolarHBondContact O-N 2.85Å; S126-E128 PolarHBondContact OG-N 2.7Å; S126-S131 VanDerWaalsContact CB-OG 3.3Å; S126-S131 WeakPolarHBondContact CB-OG 3.36Å; S126-S131 WeakPolarHBondContact OG-CB 3.44Å; S126-S131 PolarHBondContact OG-OG 3.42Å
127P95.6Very high94.5Very high124 Ų12477.2 Ų77.281%0.80546%0.458SS*.SBendtrans-74.7-14.9175.131.2-34.7000112.7
128E94.8Very high94.4Very high145 Ų14579.4 Ų79.468%0.67846%0.461SS*.SBendtrans-102.6140.2-175.3-67.8-61146.600112.2S126S126-E128 PolarHBondContact O-N 2.85Å; S126-E128 PolarHBondContact OG-N 2.7Å
129V90.6Very high94.2Very high150 Ų15077.4 Ų77.491%0.90945%0.452SS*.THydrogen-bonded Turntrans-72.3136.8178.4-174.80000110S131V129-S131 VanDerWaalsContact C-N 3.3Å
130G87.7Confident93.8Very high80 Ų8083.9 Ų83.983%0.82549%0.488SS*.THydrogen-bonded Turntrans77.914.6179.200000114S132G130-S132 PolarHBondContact O-N 2.7Å
131S90.8Very high93.5Very high46 Ų4685.7 Ų85.732%0.32250%0.495SS..  trans-62.7131.9173.5-173.10000111.9S123 S126 V129S123-S131 PolarHBondContact OG-O 2.89Å; S123-S131 VanDerWaalsContact OG-O 3.09Å; S126-S131 VanDerWaalsContact CB-OG 3.3Å; S126-S131 WeakPolarHBondContact CB-OG 3.36Å; S126-S131 WeakPolarHBondContact OG-CB 3.44Å; S126-S131 PolarHBondContact OG-OG 3.42Å; V129-S131 VanDerWaalsContact C-N 3.3Å
132S91.1Very high93.4Very high50 Ų5084.7 Ų84.735%0.3549%0.488SS..  trans-71.3-179.8165.659.70000110.7S123 G130 E135S123-S132 WeakPolarHBondContact CA-O 3.37Å; S123-S132 WeakPolarHBondContact CB-O 3.45Å; G130-S132 PolarHBondContact O-N 2.7Å; S132-E135 WeakPolarHBondContact CB-OE1 3.26Å; S132-E135 PolarHBondContact OG-OE1 2.83Å
133G93.4Very high93.4Very high9 Ų984.8 Ų84.89%0.09348%0.479CS..SBendtrans-78.1-162.7167.800000112F119 E135F119-G133 VanDerWaalsContact CZ-CA 3.45Å; F119-G133 VanDerWaalsContact O-CA 3.24Å; F119-G133 WeakPolarHBondContact O-CA 3.25Å; G133-E135 PolarHBondContact O-N 3.22Å; G133-E135 VanDerWaalsContact O-N 3.09Å
134I96.3Very high93.5Very high40 Ų4083.5 Ų83.521%0.20547%0.469CS..  trans-65.9111.4-179.4-59171.5000110.3F115 L118 F119 L137 C146F115-I134 HydrophobicContact CE2-CG2 4.28Å; F115-I134 HydrophobicContact CZ-CB 4.41Å; F115-I134 HydrophobicContact CZ-CG2 4.4Å; L118-I134 HydrophobicContact CB-CD1 3.96Å; L118-I134 WeakPolarHBondContact O-CD1 3.34Å; F119-I134 HydrophobicContact CD2-CB 4.3Å; F119-I134 VanDerWaalsContact CD2-N 3.27Å; F119-I134 VanDerWaalsContact CD2-O 3.27Å; F119-I134 WeakPolarHBondContact CD2-O 3.32Å; F119-I134 WeakPolarHBondContact CE2-O 3.24Å; I134-L137 HydrophobicContact CG2-CB 4.34Å; I134-C146 WeakPolarHBondContact O-CB 3.47Å
135E95.9Very high93.7Very high120 Ų12076.9 Ų76.956%0.56144%0.438SS*.  trans-92.3-28.5173.8-66.9-177-17900112.6S132 G133 H145 C146S132-E135 WeakPolarHBondContact CB-OE1 3.26Å; S132-E135 PolarHBondContact OG-OE1 2.83Å; G133-E135 PolarHBondContact O-N 3.22Å; G133-E135 VanDerWaalsContact O-N 3.09Å; E135-H145 CarbonylContact O-C 3.57Å; E135-H145 WeakPolarHBondContact O-CA 3.44Å; E135-C146 PolarHBondContact O-N 3.41Å
136M96.1Very high93.8Very high101 Ų10170.7 Ų70.750%0.49841%0.406SS..EExtended strand (participates in β ladder)trans-146.9136.4179.8-171.9-103.6-71.400111.1E138 K143 L144M136-E138 HydrophobicContact SD-CB 3.92Å; M136-K143 HydrophobicContact CG-CD 4.02Å; M136-K143 HydrophobicContact CG-CG 3.86Å; M136-K143 HydrophobicContact SD-CD 4.02Å; M136-K143 HydrophobicContact SD-CG 4.05Å; M136-L144 CarbonylContact C-O 3.59Å; M136-L144 VanDerWaalsContact CA-O 3.29Å; M136-L144 WeakPolarHBondContact CA-O 3.26Å
137L96.6Very high93.9Very high63 Ų6372 Ų7233%0.3341%0.407SS..EExtended strand (participates in β ladder)trans-130.9118.4173.2-174.1166.5000108.2I134 T139 K143 L144I134-L137 HydrophobicContact CG2-CB 4.34Å; L137-T139 HydrophobicContact CD2-CG2 3.84Å; L137-K143 WeakPolarHBondContact O-CA 3.48Å; L137-L144 HydrophobicContact CB-CB 4.3Å; L137-L144 PolarHBondContact N-O 3.33Å; L137-L144 PolarHBondContact O-N 3.46Å
138E94.8Very high93.9Very high111 Ų11170 Ų7052%0.51939%0.387SS..EExtended strand (participates in β ladder)trans-106139.4-177.3-175.3161.2-145.500111.6M136 K143M136-E138 HydrophobicContact SD-CB 3.92Å; E138-K143 WeakPolarHBondContact OE1-CE 3.42Å; E138-K143 IonicContact OE1-NZ 2.81Å; E138-K143 PolarHBondContact OE1-NZ 3.46Å; E138-K143 IonicContact OE2-NZ 3.55Å
139T92.8Very high93.9Very high43 Ų4363.5 Ų63.526%0.26436%0.357SS..  trans-128.9174.917070.80000109.1L137 V141 F142L137-T139 HydrophobicContact CD2-CG2 3.84Å; T139-V141 PolarHBondContact O-N 3Å; T139-V141 PolarHBondContact OG1-N 3.42Å; T139-F142 HydrophobicContact CG2-CD1 4.3Å; T139-F142 HydrophobicContact CG2-CE1 3.78Å; T139-F142 HydrophobicContact CG2-CE2 4.32Å; T139-F142 HydrophobicContact CG2-CZ 3.79Å; T139-F142 PolarHBondContact N-O 2.89Å; T139-F142 WeakPolarHBondContact OG1-CD1 3.44Å; T139-F142 PolarHBondContact OG1-N 3.48Å; T139-F142 PolarHBondContact OG1-O 3.06Å
140D88.1Confident93.9Very high152 Ų15265.4 Ų65.481%0.81336%0.361SS*.SBendtrans-64.7-24.2174.160.5-43.1000113.5
141V88.5Confident94.1Very high74 Ų7466.1 Ų66.145%0.44835%0.35SS..SBendtrans-110.3-30.9-173.3-173.70000113.2T139 P161T139-V141 PolarHBondContact O-N 3Å; T139-V141 PolarHBondContact OG1-N 3.42Å; V141-P161 WeakPolarHBondContact O-CD 3.4Å
142F93Very high94.1Very high59 Ų5964.2 Ų64.226%0.25934%0.338SS..  trans-147.5157.2-178.375.1-88.9000112.2F4 T139 L144 L158 A159F4-F142 HydrophobicContact CD2-CB 3.85Å; F4-F142 HydrophobicContact CE2-CB 3.59Å; T139-F142 HydrophobicContact CG2-CD1 4.3Å; T139-F142 HydrophobicContact CG2-CE1 3.78Å; T139-F142 HydrophobicContact CG2-CE2 4.32Å; T139-F142 HydrophobicContact CG2-CZ 3.79Å; T139-F142 PolarHBondContact N-O 2.89Å; T139-F142 WeakPolarHBondContact OG1-CD1 3.44Å; T139-F142 PolarHBondContact OG1-N 3.48Å; T139-F142 PolarHBondContact OG1-O 3.06Å; F142-L144 HydrophobicContact CD2-CB 4.36Å; F142-L144 HydrophobicContact CE2-CB 4.04Å; F142-L158 HydrophobicContact CD2-CD2 3.9Å; F142-L158 HydrophobicContact CD2-CG 4.13Å; F142-L158 HydrophobicContact CE2-CD2 3.92Å; F142-L158 HydrophobicContact CE2-CG 4.35Å; F142-A159 CarbonylContact C-O 3.58Å; F142-A159 VanDerWaalsContact CA-O 3.27Å; F142-A159 WeakPolarHBondContact CA-O 3.24Å
143K95.8Very high94.3Very high31 Ų3162.1 Ų62.114%0.13532%0.322CS..EExtended strand (participates in β ladder)trans-117.1128.9168.5-171173.2-77.2158.60108.9M136 L137 E138 H145 L158 A159 P161M136-K143 HydrophobicContact CG-CD 4.02Å; M136-K143 HydrophobicContact CG-CG 3.86Å; M136-K143 HydrophobicContact SD-CD 4.02Å; M136-K143 HydrophobicContact SD-CG 4.05Å; L137-K143 WeakPolarHBondContact O-CA 3.48Å; E138-K143 WeakPolarHBondContact OE1-CE 3.42Å; E138-K143 IonicContact OE1-NZ 2.81Å; E138-K143 PolarHBondContact OE1-NZ 3.46Å; E138-K143 IonicContact OE2-NZ 3.55Å; K143-H145 WeakPolarHBondContact CD-NE2 3.34Å; K143-H145 VanDerWaalsContact CG-NE2 3.34Å; K143-H145 WeakPolarHBondContact CG-NE2 3.36Å; K143-L158 WeakPolarHBondContact O-CA 3.3Å; K143-A159 PolarHBondContact N-O 2.97Å; K143-A159 PolarHBondContact O-N 2.89Å; K143-P161 PolarHBondContact NZ-O 3.42Å
144L97.4Very high94.5Very high20 Ų2062 Ų6211%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-99.7124.4173.7179.6161.3000107.8F115 M136 L137 F142 C146 I156 V157 L158F115-L144 HydrophobicContact CD2-CD1 4.23Å; F115-L144 HydrophobicContact CD2-CD2 4.44Å; F115-L144 HydrophobicContact CE2-CD1 4.11Å; F115-L144 HydrophobicContact CE2-CD2 3.57Å; F115-L144 HydrophobicContact CZ-CD2 3.74Å; M136-L144 CarbonylContact C-O 3.59Å; M136-L144 VanDerWaalsContact CA-O 3.29Å; M136-L144 WeakPolarHBondContact CA-O 3.26Å; L137-L144 HydrophobicContact CB-CB 4.3Å; L137-L144 PolarHBondContact N-O 3.33Å; L137-L144 PolarHBondContact O-N 3.46Å; F142-L144 HydrophobicContact CD2-CB 4.36Å; F142-L144 HydrophobicContact CE2-CB 4.04Å; L144-C146 HydrophobicContact CD2-CB 4.27Å; L144-I156 HydrophobicContact CD1-CG2 3.85Å; L144-I156 HydrophobicContact CD2-CG2 3.7Å; L144-I156 HydrophobicContact CG-CG2 3.56Å; L144-V157 WeakPolarHBondContact CA-O 3.24Å; L144-L158 HydrophobicContact CB-CG 4.33Å; L144-L158 HydrophobicContact CD1-CD1 4.19Å; L144-L158 HydrophobicContact CD1-CG 4.44Å; L144-L158 HydrophobicContact CG-CD1 4.26Å; L144-L158 HydrophobicContact CG-CG 4.41Å
145H97.6Very high94.5Very high23 Ų2360 Ų6011%0.10631%0.309CS..EExtended strand (participates in β ladder)trans-110.9138.4173.7-61.7-105.7000109.5E135 K143 I156 V157 I166 L170E135-H145 CarbonylContact O-C 3.57Å; E135-H145 WeakPolarHBondContact O-CA 3.44Å; K143-H145 WeakPolarHBondContact CD-NE2 3.34Å; K143-H145 VanDerWaalsContact CG-NE2 3.34Å; K143-H145 WeakPolarHBondContact CG-NE2 3.36Å; H145-I156 CarbonylContact O-C 3.52Å; H145-I156 VanDerWaalsContact O-CA 3.25Å; H145-I156 WeakPolarHBondContact O-CA 3.34Å; H145-V157 PolarHBondContact N-O 2.87Å; H145-V157 PolarHBondContact O-N 3.35Å; H145-I166 HydrophobicContact CB-CG2 3.53Å; H145-I166 VanDerWaalsContact CG-CG2 3.42Å; H145-L170 HydrophobicContact CB-CD1 3.75Å
146C97.7Very high94.6Very high7 Ų754.6 Ų54.65%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-130.6126.1-178.7175.10000110.9F115 I134 E135 L144 F155 I156F115-C146 HydrophobicContact CE1-CB 4.06Å; F115-C146 HydrophobicContact CZ-CB 3.74Å; I134-C146 WeakPolarHBondContact O-CB 3.47Å; E135-C146 PolarHBondContact O-N 3.41Å; L144-C146 HydrophobicContact CD2-CB 4.27Å; C146-F155 CarbonylContact C-O 3.55Å; C146-F155 VanDerWaalsContact CA-O 3.32Å; C146-F155 WeakPolarHBondContact CA-O 3.42Å; C146-I156 HydrophobicContact CB-CG1 4.32Å
147F97.4Very high94.7Very high65 Ų6549.8 Ų49.829%0.28526%0.26SS..EExtended strand (participates in β ladder)trans-115.5121.6171.6173.4-113.9000110T149 K154 F155 L170 Y174F147-T149 HydrophobicContact CE1-CG2 4.26Å; F147-K154 WeakPolarHBondContact O-CA 3.45Å; F147-F155 AromaticContact CD1-CD2 3.8Å; F147-F155 HydrophobicContact CD1-CD2 3.8Å; F147-F155 HydrophobicContact CD1-CE2 4.46Å; F147-F155 HydrophobicContact CE1-CD2 4.43Å; F147-F155 PolarHBondContact N-O 2.91Å; F147-F155 PolarHBondContact O-N 3.38Å; F147-L170 HydrophobicContact CB-CB 3.93Å; F147-L170 HydrophobicContact CB-CD1 3.98Å; F147-L170 HydrophobicContact CB-CD2 4.17Å; F147-L170 HydrophobicContact CB-CG 4.26Å; F147-Y174 HydrophobicContact CE1-CD1 4Å; F147-Y174 AromaticContact CE1-CG 3.94Å; F147-Y174 HydrophobicContact CE1-CG 3.94Å; F147-Y174 HydrophobicContact CZ-CD1 4.49Å
148Q96.3Very high94.6Very high80 Ų8048 Ų4837%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-100.9131.5175.9-171.3-175.318.100111F119 I153 K154F119-Q148 HydrophobicContact CZ-CB 4.09Å; F119-Q148 HydrophobicContact CZ-CG 4.47Å; Q148-I153 CarbonylContact C-O 3.56Å; Q148-I153 WeakPolarHBondContact CA-O 3.29Å; Q148-K154 HydrophobicContact CB-CG 4.24Å; Q148-K154 HydrophobicContact CG-CG 4.04Å
149T94.3Very high94.6Very high9 Ų942.8 Ų42.86%0.05523%0.226CC..  trans-79164.2172.868.20000112.1F147 T151 G152 I153 F155 Y174F147-T149 HydrophobicContact CE1-CG2 4.26Å; T149-T151 PolarHBondContact O-N 3.44Å; T149-T151 PolarHBondContact OG1-N 3.46Å; T149-T151 PolarHBondContact OG1-OG1 2.64Å; T149-G152 WeakPolarHBondContact O-CA 3.29Å; T149-G152 PolarHBondContact O-N 2.91Å; T149-G152 PolarHBondContact OG1-N 3.41Å; T149-I153 HydrophobicContact CG2-CB 4.29Å; T149-I153 PolarHBondContact N-O 2.88Å; T149-I153 PolarHBondContact OG1-N 2.82Å; T149-I153 VanDerWaalsContact OG1-N 3.08Å; T149-I153 PolarHBondContact OG1-O 3.36Å; T149-F155 HydrophobicContact CG2-CD2 4.23Å; T149-F155 HydrophobicContact CG2-CE2 3.51Å; T149-F155 HydrophobicContact CG2-CZ 4.47Å; T149-Y174 HydrophobicContact CG2-CD2 3.62Å; T149-Y174 HydrophobicContact CG2-CE2 3.61Å; T149-Y174 HydrophobicContact CG2-CG 4.35Å
150L91.4Very high94.6Very high190 Ų19042 Ų42100%0.99522%0.221SC*.THydrogen-bonded Turntrans-58.4-28.4171.5-60.6176.8000113.1G152L150-G152 VanDerWaalsContact C-N 3.27Å
151T90.5Very high94.8Very high96 Ų9636.2 Ų36.259%0.58919%0.191SC*.THydrogen-bonded Turntrans-81.3-6175.755.50000113.3T149T149-T151 PolarHBondContact O-N 3.44Å; T149-T151 PolarHBondContact OG1-N 3.46Å; T149-T151 PolarHBondContact OG1-OG1 2.64Å
152G92.3Very high94.9Very high6 Ų642.3 Ų42.36%0.06221%0.206CC..SBendtrans92.25.2174.800000115.7T149 L150T149-G152 WeakPolarHBondContact O-CA 3.29Å; T149-G152 PolarHBondContact O-N 2.91Å; T149-G152 PolarHBondContact OG1-N 3.41Å; L150-G152 VanDerWaalsContact C-N 3.27Å
153I94.3Very high94.7Very high6 Ų640 Ų403%0.03120%0.197CC..  trans-72138.6172.7-53.2-60.1000108.8V8 N10 Q148 T149 F155 Y177V8-I153 HydrophobicContact CG1-CG2 3.74Å; N10-I153 HydrophobicContact CB-CD1 4.16Å; Q148-I153 CarbonylContact C-O 3.56Å; Q148-I153 WeakPolarHBondContact CA-O 3.29Å; T149-I153 HydrophobicContact CG2-CB 4.29Å; T149-I153 PolarHBondContact N-O 2.88Å; T149-I153 PolarHBondContact OG1-N 2.82Å; T149-I153 VanDerWaalsContact OG1-N 3.08Å; T149-I153 PolarHBondContact OG1-O 3.36Å; I153-F155 HydrophobicContact CG2-CE1 4.45Å; I153-F155 HydrophobicContact CG2-CE2 4.28Å; I153-F155 HydrophobicContact CG2-CZ 4.05Å; I153-Y177 HydrophobicContact CG1-CE1 4.34Å
154K96.8Very high94.4Very high5 Ų541 Ų412%0.02221%0.207CC..EExtended strand (participates in β ladder)trans-115.1128-179.8-61.3178.3-175.965.90110.1V8 V9 H116 F119 F147 Q148V8-K154 WeakPolarHBondContact CA-O 3.26Å; V9-K154 HydrophobicContact CB-CB 4.35Å; V9-K154 PolarHBondContact N-O 2.96Å; V9-K154 PolarHBondContact O-N 3.44Å; H116-K154 PolarHBondContact CE1-NZ 3.41Å; H116-K154 PolarHBondContact ND1-NZ 3.26Å; F119-K154 HydrophobicContact CD1-CD 4.48Å; F119-K154 HydrophobicContact CD2-CD 4.37Å; F119-K154 HydrophobicContact CG-CD 4.28Å; F147-K154 WeakPolarHBondContact O-CA 3.45Å; Q148-K154 HydrophobicContact CB-CG 4.24Å; Q148-K154 HydrophobicContact CG-CG 4.04Å
155F97.4Very high94.1Very high0 Ų042.2 Ų42.20%022%0.224CC..EExtended strand (participates in β ladder)trans-103.2123.3170.4-58.6-79.4000108.2V8 C146 F147 T149 I153 L170 I173 Y174 Y177V8-F155 HydrophobicContact CB-CD1 4.44Å; V8-F155 HydrophobicContact CG1-CD1 3.89Å; V8-F155 HydrophobicContact CG1-CE1 3.71Å; V8-F155 HydrophobicContact CG2-CD1 3.84Å; V8-F155 HydrophobicContact CG2-CE1 4.11Å; C146-F155 CarbonylContact C-O 3.55Å; C146-F155 VanDerWaalsContact CA-O 3.32Å; C146-F155 WeakPolarHBondContact CA-O 3.42Å; F147-F155 AromaticContact CD1-CD2 3.8Å; F147-F155 HydrophobicContact CD1-CD2 3.8Å; F147-F155 HydrophobicContact CD1-CE2 4.46Å; F147-F155 HydrophobicContact CE1-CD2 4.43Å; F147-F155 PolarHBondContact N-O 2.91Å; F147-F155 PolarHBondContact O-N 3.38Å; T149-F155 HydrophobicContact CG2-CD2 4.23Å; T149-F155 HydrophobicContact CG2-CE2 3.51Å; T149-F155 HydrophobicContact CG2-CZ 4.47Å; I153-F155 HydrophobicContact CG2-CE1 4.45Å; I153-F155 HydrophobicContact CG2-CE2 4.28Å; I153-F155 HydrophobicContact CG2-CZ 4.05Å; F155-L170 HydrophobicContact CB-CD2 3.8Å; F155-L170 WeakPolarHBondContact O-CD2 3.46Å; F155-I173 HydrophobicContact CD1-CB 4.44Å; F155-I173 HydrophobicContact CD1-CG2 3.47Å; F155-I173 VanDerWaalsContact CD1-CG2 3.47Å; F155-I173 HydrophobicContact CE1-CG2 3.88Å; F155-I173 HydrophobicContact CG-CG2 4.25Å; F155-Y174 AromaticContact CE2-CD2 3.69Å; F155-Y174 HydrophobicContact CE2-CD2 3.69Å; F155-Y174 HydrophobicContact CE2-CG 4.12Å; F155-Y174 HydrophobicContact CZ-CD2 4.01Å; F155-Y177 HydrophobicContact CE1-CD2 4.18Å; F155-Y177 AromaticContact CE1-CG 3.89Å; F155-Y177 HydrophobicContact CE1-CG 3.89Å; F155-Y177 AromaticContact CZ-CD1 3.81Å; F155-Y177 HydrophobicContact CZ-CD1 3.81Å; F155-Y177 HydrophobicContact CZ-CD2 4.25Å; F155-Y177 AromaticContact CZ-CG 3.61Å; F155-Y177 HydrophobicContact CZ-CG 3.61Å
156I97.9Very high93.9Very high5 Ų541.2 Ų41.23%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-122.4129.5-175.3-55.6167.6000108.1V6 Y7 V9 F115 L144 H145 C146 L158V6-I156 CarbonylContact C-O 3.52Å; V6-I156 WeakPolarHBondContact CA-O 3.41Å; Y7-I156 PolarHBondContact N-O 3.38Å; Y7-I156 PolarHBondContact O-N 3.2Å; V9-I156 HydrophobicContact CG2-CD1 3.86Å; F115-I156 HydrophobicContact CD1-CD1 3.36Å; F115-I156 HydrophobicContact CD1-CG1 4.34Å; F115-I156 HydrophobicContact CE1-CD1 3.54Å; F115-I156 HydrophobicContact CE1-CG1 4.02Å; F115-I156 HydrophobicContact CG-CD1 4.12Å; F115-I156 HydrophobicContact CZ-CD1 4.42Å; L144-I156 HydrophobicContact CD1-CG2 3.85Å; L144-I156 HydrophobicContact CD2-CG2 3.7Å; L144-I156 HydrophobicContact CG-CG2 3.56Å; H145-I156 CarbonylContact O-C 3.52Å; H145-I156 VanDerWaalsContact O-CA 3.25Å; H145-I156 WeakPolarHBondContact O-CA 3.34Å; C146-I156 HydrophobicContact CB-CG1 4.32Å; I156-L158 HydrophobicContact CG2-CD1 4.05Å
157V97.3Very high93.6Very high0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-124.7128.5176.3176.20000108.7I3 V6 L144 H145 I166 L169 L170 I173I3-V157 HydrophobicContact CG2-CG1 3.85Å; V6-V157 HydrophobicContact CG2-CG2 4.33Å; L144-V157 WeakPolarHBondContact CA-O 3.24Å; H145-V157 PolarHBondContact N-O 2.87Å; H145-V157 PolarHBondContact O-N 3.35Å; V157-I166 HydrophobicContact CB-CG2 4.08Å; V157-I166 HydrophobicContact CG1-CD1 4.25Å; V157-I166 HydrophobicContact CG1-CG2 4.15Å; V157-L169 HydrophobicContact CG1-CD2 4.18Å; V157-L169 HydrophobicContact CG2-CD2 4.34Å; V157-L170 HydrophobicContact CB-CD2 4.36Å; V157-L170 HydrophobicContact CG2-CD2 3.66Å; V157-L170 HydrophobicContact CG2-CG 4.29Å; V157-I173 HydrophobicContact CG2-CD1 3.86Å
158L95.7Very high93.5Very high27 Ų2746.1 Ų46.114%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-100.6129.1169.3-7375.6000108.8F4 S5 Y7 F142 K143 L144 I156F4-L158 HydrophobicContact CB-CB 4.19Å; F4-L158 HydrophobicContact CD2-CB 4.4Å; F4-L158 PolarHBondContact N-O 2.87Å; S5-L158 PolarHBondContact N-O 2.85Å; S5-L158 PolarHBondContact O-N 2.83Å; Y7-L158 HydrophobicContact CD2-CD1 3.81Å; Y7-L158 HydrophobicContact CE2-CD1 3.65Å; F142-L158 HydrophobicContact CD2-CD2 3.9Å; F142-L158 HydrophobicContact CD2-CG 4.13Å; F142-L158 HydrophobicContact CE2-CD2 3.92Å; F142-L158 HydrophobicContact CE2-CG 4.35Å; K143-L158 WeakPolarHBondContact O-CA 3.3Å; L144-L158 HydrophobicContact CB-CG 4.33Å; L144-L158 HydrophobicContact CD1-CD1 4.19Å; L144-L158 HydrophobicContact CD1-CG 4.44Å; L144-L158 HydrophobicContact CG-CD1 4.26Å; L144-L158 HydrophobicContact CG-CG 4.41Å; I156-L158 HydrophobicContact CG2-CD1 4.05Å
159A94.6Very high93.5Very high0 Ų042.6 Ų42.60%024%0.242CC..EExtended strand (participates in β ladder)trans-142168.6-179.900000111.8V2 I3 F4 F142 K143 Q163 I166V2-A159 CarbonylContact O-C 3.55Å; V2-A159 VanDerWaalsContact O-CA 3.26Å; V2-A159 WeakPolarHBondContact O-CA 2.99Å; V2-A159 WeakPolarHBondContact O-CB 3.35Å; I3-A159 HydrophobicContact CG1-CB 4.42Å; F4-A159 WeakPolarHBondContact CE2-O 3.4Å; F142-A159 CarbonylContact C-O 3.58Å; F142-A159 VanDerWaalsContact CA-O 3.27Å; F142-A159 WeakPolarHBondContact CA-O 3.24Å; K143-A159 PolarHBondContact N-O 2.97Å; K143-A159 PolarHBondContact O-N 2.89Å; A159-Q163 HydrophobicContact CB-CB 3.93Å; A159-Q163 HydrophobicContact CB-CG 4.09Å; A159-I166 HydrophobicContact CB-CD1 3.89Å; A159-I166 HydrophobicContact CB-CG1 4.36Å
160D92.8Very high93.6Very high28 Ų2842.4 Ų42.415%0.1524%0.24CC..  trans-56.7138.7167.5-175.8-65.7000108.8V2 F4 R162 Q163V2-D160 HydrophobicContact CB-CB 4.41Å; V2-D160 PolarHBondContact O-N 3.4Å; F4-D160 HydrophobicContact CZ-CB 4.25Å; D160-R162 PolarHBondContact O-N 3Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.42Å; D160-R162 WeakPolarHBondContact OD1-CG 3.36Å; D160-R162 IonicContact OD1-CZ 2.61Å; D160-R162 PolarHBondContact OD1-N 3.44Å; D160-R162 IonicContact OD1-NE 3.7Å; D160-R162 PolarHBondContact OD1-NE 3.23Å; D160-R162 IonicContact OD1-NH2 2.89Å; D160-R162 IonicContact OD2-CZ 3.79Å; D160-R162 IonicContact OD2-NE 3.29Å; D160-R162 IonicContact OD2-NH2 3.72Å; D160-R162 PolarHBondContact OD2-NH2 3.35Å; D160-Q163 VanDerWaalsContact O-CB 3.23Å; D160-Q163 WeakPolarHBondContact O-CB 3.38Å; D160-Q163 PolarHBondContact O-N 2.93Å
161P92Very high93.8Very high29 Ų2939.4 Ų39.419%0.18822%0.22CC..THydrogen-bonded Turntrans-56.7-23.5-177.8-26.335.6000114.7V141 K143V141-P161 WeakPolarHBondContact O-CD 3.4Å; K143-P161 PolarHBondContact NZ-O 3.42Å
162R90.9Very high94Very high202 Ų20239.3 Ų39.376%0.76221%0.211SC*.THydrogen-bonded Turntrans-85.7-9.4178.6-58171-68.7179.8-1113.2D160 S164D160-R162 PolarHBondContact O-N 3Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.42Å; D160-R162 WeakPolarHBondContact OD1-CG 3.36Å; D160-R162 IonicContact OD1-CZ 2.61Å; D160-R162 PolarHBondContact OD1-N 3.44Å; D160-R162 IonicContact OD1-NE 3.7Å; D160-R162 PolarHBondContact OD1-NE 3.23Å; D160-R162 IonicContact OD1-NH2 2.89Å; D160-R162 IonicContact OD2-CZ 3.79Å; D160-R162 IonicContact OD2-NE 3.29Å; D160-R162 IonicContact OD2-NH2 3.72Å; D160-R162 PolarHBondContact OD2-NH2 3.35Å; R162-S164 PolarHBondContact O-N 2.9Å
163Q89.4Confident94.2Very high12 Ų1239 Ų396%0.05621%0.208CC..  trans-68.3122.6179.7179.959.51900110.6V2 A159 D160 I166 A209V2-Q163 HydrophobicContact CG2-CG 4.38Å; A159-Q163 HydrophobicContact CB-CB 3.93Å; A159-Q163 HydrophobicContact CB-CG 4.09Å; D160-Q163 VanDerWaalsContact O-CB 3.23Å; D160-Q163 WeakPolarHBondContact O-CB 3.38Å; D160-Q163 PolarHBondContact O-N 2.93Å; Q163-I166 HydrophobicContact CB-CD1 4.48Å; Q163-I166 HydrophobicContact CG-CD1 3.53Å; Q163-I166 HydrophobicContact CG-CG1 4.04Å; Q163-A209 PolarHBondContact NE2-O 3.02Å
164S88.6Confident94.3Very high50 Ų5042.9 Ų42.935%0.3522%0.223SC..  trans-95.5167.6174.456.80000112.1R162 I166R162-S164 PolarHBondContact O-N 2.9Å; S164-I166 VanDerWaalsContact C-N 3.31Å; S164-I166 PolarHBondContact O-N 3.22Å
165G90.4Very high94.2Very high46 Ų4647.4 Ų47.447%0.47424%0.244SC..  trans75.913.8172.400000115.2D167 A168 L169G165-D167 VanDerWaalsContact C-N 3.29Å; G165-D167 PolarHBondContact O-N 3.45Å; G165-A168 PolarHBondContact O-N 3.29Å; G165-L169 PolarHBondContact O-N 3.42Å
166I94.1Very high94Very high3 Ų347.8 Ų47.82%0.01525%0.246CC..Hα-helixtrans-64.3-33.3178.5-60-59.3000112I3 H145 V157 A159 Q163 S164 A168 L169 L170I3-I166 HydrophobicContact CG1-CD1 4.37Å; H145-I166 HydrophobicContact CB-CG2 3.53Å; H145-I166 VanDerWaalsContact CG-CG2 3.42Å; V157-I166 HydrophobicContact CB-CG2 4.08Å; V157-I166 HydrophobicContact CG1-CD1 4.25Å; V157-I166 HydrophobicContact CG1-CG2 4.15Å; A159-I166 HydrophobicContact CB-CD1 3.89Å; A159-I166 HydrophobicContact CB-CG1 4.36Å; Q163-I166 HydrophobicContact CB-CD1 4.48Å; Q163-I166 HydrophobicContact CG-CD1 3.53Å; Q163-I166 HydrophobicContact CG-CG1 4.04Å; S164-I166 VanDerWaalsContact C-N 3.31Å; S164-I166 PolarHBondContact O-N 3.22Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 3.01Å; I166-L169 HydrophobicContact CD1-CD2 4.34Å; I166-L169 CarbonylContact O-C 3.52Å; I166-L169 WeakPolarHBondContact O-CB 3.3Å; I166-L169 PolarHBondContact O-N 3.01Å; I166-L169 VanDerWaalsContact O-N 3.15Å; I166-L170 HydrophobicContact CG2-CD1 4.08Å; I166-L170 HydrophobicContact CG2-CG 4.2Å; I166-L170 WeakPolarHBondContact O-CG 3.43Å; I166-L170 PolarHBondContact O-N 3Å
167D92.5Very high93.8Very high105 Ų10547.7 Ų47.756%0.56125%0.245SC*.Hα-helixtrans-63.6-37.4177.9-58.4-30.6000112.4G165 L170 K171G165-D167 VanDerWaalsContact C-N 3.29Å; G165-D167 PolarHBondContact O-N 3.45Å; D167-L170 PolarHBondContact O-N 3.35Å; D167-K171 WeakPolarHBondContact O-CG 3.27Å; D167-K171 PolarHBondContact O-N 2.85Å; D167-K171 VanDerWaalsContact O-N 3.09Å
168A93.9Very high93.4Very high69 Ų6949 Ų4957%0.5726%0.255SS*.Hα-helixtrans-67.7-40.3174.900000110.9G165 I166 K171 K172G165-A168 PolarHBondContact O-N 3.29Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 3.01Å; A168-K171 PolarHBondContact O-N 3.45Å; A168-K172 WeakPolarHBondContact O-CB 3.3Å; A168-K172 PolarHBondContact O-N 3.36Å
169L95.6Very high93.1Very high6 Ų651.2 Ų51.23%0.03127%0.267CS..Hα-helixtrans-61.7-46.2173.6174.963.4000111.4I3 V157 G165 I166 K171 K172 I173 L206 A209I3-L169 HydrophobicContact CD1-CD2 3.73Å; V157-L169 HydrophobicContact CG1-CD2 4.18Å; V157-L169 HydrophobicContact CG2-CD2 4.34Å; G165-L169 PolarHBondContact O-N 3.42Å; I166-L169 HydrophobicContact CD1-CD2 4.34Å; I166-L169 CarbonylContact O-C 3.52Å; I166-L169 WeakPolarHBondContact O-CB 3.3Å; I166-L169 PolarHBondContact O-N 3.01Å; I166-L169 VanDerWaalsContact O-N 3.15Å; L169-K171 VanDerWaalsContact C-N 3.34Å; L169-K171 PolarHBondContact O-N 3.22Å; L169-K172 CarbonylContact O-C 3.49Å; L169-K172 WeakPolarHBondContact O-CA 3.39Å; L169-K172 WeakPolarHBondContact O-CB 3.4Å; L169-K172 PolarHBondContact O-N 3.06Å; L169-I173 HydrophobicContact CD1-CD1 4.05Å; L169-I173 HydrophobicContact CD1-CG1 4.1Å; L169-I173 HydrophobicContact CG-CD1 3.89Å; L169-I173 HydrophobicContact CG-CG1 4.36Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.43Å; L169-I173 PolarHBondContact O-N 3.25Å; L169-L206 HydrophobicContact CD1-CD2 4.24Å; L169-L206 HydrophobicContact CD2-CD2 3.9Å; L169-A209 HydrophobicContact CB-CB 4.2Å; L169-A209 HydrophobicContact CD1-CB 4Å; L169-A209 HydrophobicContact CD2-CB 3.88Å; L169-A209 HydrophobicContact CG-CB 4.24Å
170L96.7Very high92.5Very high5 Ų553.4 Ų53.43%0.02628%0.276CS..Hα-helixtrans-59-44.5178.2-76.3168.9000112H145 F147 F155 V157 I166 D167 K172 I173 Y174H145-L170 HydrophobicContact CB-CD1 3.75Å; F147-L170 HydrophobicContact CB-CB 3.93Å; F147-L170 HydrophobicContact CB-CD1 3.98Å; F147-L170 HydrophobicContact CB-CD2 4.17Å; F147-L170 HydrophobicContact CB-CG 4.26Å; F155-L170 HydrophobicContact CB-CD2 3.8Å; F155-L170 WeakPolarHBondContact O-CD2 3.46Å; V157-L170 HydrophobicContact CB-CD2 4.36Å; V157-L170 HydrophobicContact CG2-CD2 3.66Å; V157-L170 HydrophobicContact CG2-CG 4.29Å; I166-L170 HydrophobicContact CG2-CD1 4.08Å; I166-L170 HydrophobicContact CG2-CG 4.2Å; I166-L170 WeakPolarHBondContact O-CG 3.43Å; I166-L170 PolarHBondContact O-N 3Å; D167-L170 PolarHBondContact O-N 3.35Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.44Å; L170-I173 PolarHBondContact O-N 3.29Å; L170-Y174 PolarHBondContact O-N 3.23Å
171K95.5Very high91.7Very high128 Ų12852.3 Ų52.356%0.55727%0.271SS*.Hα-helixtrans-61.7-40.6173.3-70.9174.5-176.3176.70111.6D167 A168 L169 Y174 E175D167-K171 WeakPolarHBondContact O-CG 3.27Å; D167-K171 PolarHBondContact O-N 2.85Å; D167-K171 VanDerWaalsContact O-N 3.09Å; A168-K171 PolarHBondContact O-N 3.45Å; L169-K171 VanDerWaalsContact C-N 3.34Å; L169-K171 PolarHBondContact O-N 3.22Å; K171-Y174 WeakPolarHBondContact O-CB 3.42Å; K171-Y174 PolarHBondContact O-N 2.77Å; K171-E175 PolarHBondContact O-N 3.27Å
172K95.9Very high90.9Very high93 Ų9355.8 Ų55.840%0.40429%0.287SS..Hα-helixtrans-65.3-40.6177.5-170.658.7-179.2174.80112.5A168 L169 L170 Y174 E175 I176A168-K172 WeakPolarHBondContact O-CB 3.3Å; A168-K172 PolarHBondContact O-N 3.36Å; L169-K172 CarbonylContact O-C 3.49Å; L169-K172 WeakPolarHBondContact O-CA 3.39Å; L169-K172 WeakPolarHBondContact O-CB 3.4Å; L169-K172 PolarHBondContact O-N 3.06Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.44Å; K172-Y174 VanDerWaalsContact C-N 3.28Å; K172-Y174 PolarHBondContact O-N 3.3Å; K172-E175 VanDerWaalsContact CD-OE2 3.26Å; K172-E175 WeakPolarHBondContact CD-OE2 3.49Å; K172-E175 IonicContact NZ-OE2 2.65Å; K172-E175 PolarHBondContact NZ-OE2 3.44Å; K172-E175 WeakPolarHBondContact O-CB 3.4Å; K172-E175 PolarHBondContact O-N 3.41Å; K172-I176 HydrophobicContact CG-CD1 4.19Å; K172-I176 VanDerWaalsContact O-CG1 3.28Å; K172-I176 WeakPolarHBondContact O-CG1 3.23Å; K172-I176 PolarHBondContact O-N 3.06Å
173I96Very high90.4Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-62.2-39.6174.4-63.8169.3000110.2V6 F155 V157 L169 L170 I176 Y177 L202V6-I173 HydrophobicContact CG1-CD1 4.08Å; F155-I173 HydrophobicContact CD1-CB 4.44Å; F155-I173 HydrophobicContact CD1-CG2 3.47Å; F155-I173 VanDerWaalsContact CD1-CG2 3.47Å; F155-I173 HydrophobicContact CE1-CG2 3.88Å; F155-I173 HydrophobicContact CG-CG2 4.25Å; V157-I173 HydrophobicContact CG2-CD1 3.86Å; L169-I173 HydrophobicContact CD1-CD1 4.05Å; L169-I173 HydrophobicContact CD1-CG1 4.1Å; L169-I173 HydrophobicContact CG-CD1 3.89Å; L169-I173 HydrophobicContact CG-CG1 4.36Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.43Å; L169-I173 PolarHBondContact O-N 3.25Å; L170-I173 PolarHBondContact O-N 3.29Å; I173-I176 PolarHBondContact O-N 3.29Å; I173-Y177 WeakPolarHBondContact O-CB 3.41Å; I173-Y177 PolarHBondContact O-N 2.85Å; I173-L202 HydrophobicContact CD1-CD1 3.9Å; I173-L202 HydrophobicContact CG1-CD1 3.59Å; I173-L202 HydrophobicContact CG2-CD1 4.26Å
174Y95.7Very high89.8Confident88 Ų8856.4 Ų56.435%0.34530%0.299SS..Hα-helixtrans-62.3-44.2174.6172.6-128.5000112.5F147 T149 F155 L170 K171 K172 I176 Y177 S178F147-Y174 HydrophobicContact CE1-CD1 4Å; F147-Y174 AromaticContact CE1-CG 3.94Å; F147-Y174 HydrophobicContact CE1-CG 3.94Å; F147-Y174 HydrophobicContact CZ-CD1 4.49Å; T149-Y174 HydrophobicContact CG2-CD2 3.62Å; T149-Y174 HydrophobicContact CG2-CE2 3.61Å; T149-Y174 HydrophobicContact CG2-CG 4.35Å; F155-Y174 AromaticContact CE2-CD2 3.69Å; F155-Y174 HydrophobicContact CE2-CD2 3.69Å; F155-Y174 HydrophobicContact CE2-CG 4.12Å; F155-Y174 HydrophobicContact CZ-CD2 4.01Å; L170-Y174 PolarHBondContact O-N 3.23Å; K171-Y174 WeakPolarHBondContact O-CB 3.42Å; K171-Y174 PolarHBondContact O-N 2.77Å; K172-Y174 VanDerWaalsContact C-N 3.28Å; K172-Y174 PolarHBondContact O-N 3.3Å; Y174-I176 VanDerWaalsContact C-N 3.34Å; Y174-I176 PolarHBondContact O-N 2.89Å; Y174-Y177 WeakPolarHBondContact O-CB 3.28Å; Y174-Y177 PolarHBondContact O-N 3.48Å; Y174-S178 WeakPolarHBondContact CE2-OG 3.48Å; Y174-S178 PolarHBondContact O-N 3.3Å; Y174-S178 PolarHBondContact O-OG 3.22Å
175E94.8Very high89.1Confident100 Ų10059.3 Ų59.347%0.46732%0.317SS..Hα-helixtrans-56.9-48174-69.2175.4-178.300111.7K171 K172 Y177 S178 D179K171-E175 PolarHBondContact O-N 3.27Å; K172-E175 VanDerWaalsContact CD-OE2 3.26Å; K172-E175 WeakPolarHBondContact CD-OE2 3.49Å; K172-E175 IonicContact NZ-OE2 2.65Å; K172-E175 PolarHBondContact NZ-OE2 3.44Å; K172-E175 WeakPolarHBondContact O-CB 3.4Å; K172-E175 PolarHBondContact O-N 3.41Å; E175-Y177 VanDerWaalsContact C-N 3.32Å; E175-Y177 PolarHBondContact O-N 3.43Å; E175-S178 WeakPolarHBondContact O-CB 3.29Å; E175-S178 PolarHBondContact O-N 2.55Å; E175-D179 PolarHBondContact O-N 2.79Å
176I94.3Very high88.4Confident7 Ų766.2 Ų66.24%0.03633%0.334CS..Hα-helixtrans-60.8-43.4178.2-65.4165.7000110.2K172 I173 Y174 S178 D179 F180 F198 N201 S205K172-I176 HydrophobicContact CG-CD1 4.19Å; K172-I176 VanDerWaalsContact O-CG1 3.28Å; K172-I176 WeakPolarHBondContact O-CG1 3.23Å; K172-I176 PolarHBondContact O-N 3.06Å; I173-I176 PolarHBondContact O-N 3.29Å; Y174-I176 VanDerWaalsContact C-N 3.34Å; Y174-I176 PolarHBondContact O-N 2.89Å; I176-S178 PolarHBondContact O-N 3.36Å; I176-D179 PolarHBondContact O-N 2.94Å; I176-F180 HydrophobicContact CG2-CD2 3.69Å; I176-F180 HydrophobicContact CG2-CE2 3.89Å; I176-F180 WeakPolarHBondContact O-CD2 3.46Å; I176-F180 PolarHBondContact O-N 3.2Å; I176-F180 VanDerWaalsContact O-N 3.08Å; I176-F198 HydrophobicContact CG2-CD2 3.58Å; I176-F198 HydrophobicContact CG2-CE2 3.85Å; I176-F198 HydrophobicContact CG2-CG 4.29Å; I176-N201 HydrophobicContact CD1-CB 4.06Å; I176-N201 HydrophobicContact CG1-CB 4.2Å; I176-N201 HydrophobicContact CG2-CB 3.95Å; I176-S205 VanDerWaalsContact CD1-OG 3.29Å; I176-S205 WeakPolarHBondContact CD1-OG 3.12Å
177Y92.6Very high87.7Confident3 Ų368.2 Ų68.21%0.01234%0.342CS..Hα-helixtrans-60.3-46.1175.2176.7-96.1000111.8I16 I153 F155 I173 Y174 E175 D179 F180 A181 I193 F198I16-Y177 HydrophobicContact CD1-CE2 4.22Å; I153-Y177 HydrophobicContact CG1-CE1 4.34Å; F155-Y177 HydrophobicContact CE1-CD2 4.18Å; F155-Y177 AromaticContact CE1-CG 3.89Å; F155-Y177 HydrophobicContact CE1-CG 3.89Å; F155-Y177 AromaticContact CZ-CD1 3.81Å; F155-Y177 HydrophobicContact CZ-CD1 3.81Å; F155-Y177 HydrophobicContact CZ-CD2 4.25Å; F155-Y177 AromaticContact CZ-CG 3.61Å; F155-Y177 HydrophobicContact CZ-CG 3.61Å; I173-Y177 WeakPolarHBondContact O-CB 3.41Å; I173-Y177 PolarHBondContact O-N 2.85Å; Y174-Y177 WeakPolarHBondContact O-CB 3.28Å; Y174-Y177 PolarHBondContact O-N 3.48Å; E175-Y177 VanDerWaalsContact C-N 3.32Å; E175-Y177 PolarHBondContact O-N 3.43Å; Y177-D179 VanDerWaalsContact C-N 3.29Å; Y177-D179 PolarHBondContact O-N 3.09Å; Y177-F180 PolarHBondContact O-N 3.22Å; Y177-A181 HydrophobicContact CD1-CB 4.32Å; Y177-A181 HydrophobicContact CD2-CB 3.74Å; Y177-A181 HydrophobicContact CE1-CB 4.08Å; Y177-A181 HydrophobicContact CE2-CB 3.44Å; Y177-A181 VanDerWaalsContact CE2-CB 3.44Å; Y177-A181 HydrophobicContact CG-CB 4.17Å; Y177-A181 WeakPolarHBondContact O-CA 3.41Å; Y177-A181 WeakPolarHBondContact O-CB 3.45Å; Y177-A181 PolarHBondContact O-N 2.96Å; Y177-I193 HydrophobicContact CD2-CD1 3.59Å; Y177-I193 HydrophobicContact CE2-CD1 3.66Å; Y177-I193 HydrophobicContact CE2-CG1 4.42Å; Y177-F198 HydrophobicContact CD2-CE2 4.43Å
178S90.4Very high87.1Confident29 Ų2966 Ų6620%0.20334%0.335CS..Iπ-helixtrans-59.9-39.6177.5-73.80000112.2Y174 E175 I176 L182Y174-S178 WeakPolarHBondContact CE2-OG 3.48Å; Y174-S178 PolarHBondContact O-N 3.3Å; Y174-S178 PolarHBondContact O-OG 3.22Å; E175-S178 WeakPolarHBondContact O-CB 3.29Å; E175-S178 PolarHBondContact O-N 2.55Å; I176-S178 PolarHBondContact O-N 3.36Å; S178-L182 WeakPolarHBondContact O-CB 3.4Å; S178-L182 PolarHBondContact O-N 3.25Å
179D88.3Confident86.3Confident73 Ų7366.9 Ų66.939%0.3933%0.329SS..Iπ-helixtrans-68.8-38.9178.7-79.3-25.1000113.5E175 I176 Y177 K183E175-D179 PolarHBondContact O-N 2.79Å; I176-D179 PolarHBondContact O-N 2.94Å; Y177-D179 VanDerWaalsContact C-N 3.29Å; Y177-D179 PolarHBondContact O-N 3.09Å; D179-K183 WeakPolarHBondContact O-CB 2.95Å; D179-K183 VanDerWaalsContact O-CD 3.3Å; D179-K183 WeakPolarHBondContact O-CD 3.43Å; D179-K183 VanDerWaalsContact O-CG 3.28Å; D179-K183 WeakPolarHBondContact O-CG 3.33Å; D179-K183 VanDerWaalsContact OD1-CE 3.26Å; D179-K183 WeakPolarHBondContact OD1-CE 3.45Å; D179-K183 IonicContact OD1-NZ 2.84Å; D179-K183 PolarHBondContact OD1-NZ 3.49Å
180F82.2Confident85.5Confident46 Ų4673.6 Ų73.620%0.20236%0.36CS..Iπ-helixtrans-102.3-27.1-171.8-63.1-64.1000114.5I176 Y177 C195 L197 F198 N201I176-F180 HydrophobicContact CG2-CD2 3.69Å; I176-F180 HydrophobicContact CG2-CE2 3.89Å; I176-F180 WeakPolarHBondContact O-CD2 3.46Å; I176-F180 PolarHBondContact O-N 3.2Å; I176-F180 VanDerWaalsContact O-N 3.08Å; Y177-F180 PolarHBondContact O-N 3.22Å; F180-C195 HydrophobicContact CB-CB 4.45Å; F180-L197 HydrophobicContact CD1-CB 3.79Å; F180-L197 HydrophobicContact CD1-CD1 4.42Å; F180-L197 HydrophobicContact CE1-CB 3.34Å; F180-L197 HydrophobicContact CE1-CD1 3.8Å; F180-L197 HydrophobicContact CE1-CG 4.22Å; F180-L197 HydrophobicContact CE2-CB 4.46Å; F180-L197 HydrophobicContact CZ-CB 3.74Å; F180-F198 HydrophobicContact CB-CB 4.03Å; F180-F198 HydrophobicContact CB-CD2 4.32Å; F180-F198 HydrophobicContact CD2-CB 4.09Å; F180-F198 HydrophobicContact CD2-CD2 4.33Å; F180-F198 HydrophobicContact CG-CB 4.2Å; F180-N201 HydrophobicContact CE2-CB 4.2Å; F180-N201 WeakPolarHBondContact CE2-ND2 3.46Å; F180-N201 VanDerWaalsContact CZ-ND2 3.33Å; F180-N201 WeakPolarHBondContact CZ-ND2 3.5Å
181A75.5Confident84.9Confident4 Ų478.4 Ų78.43%0.03338%0.384CS..Iπ-helixtrans-90.9-41.3177.600000112.2Y177 Y187Y177-A181 HydrophobicContact CD1-CB 4.32Å; Y177-A181 HydrophobicContact CD2-CB 3.74Å; Y177-A181 HydrophobicContact CE1-CB 4.08Å; Y177-A181 HydrophobicContact CE2-CB 3.44Å; Y177-A181 VanDerWaalsContact CE2-CB 3.44Å; Y177-A181 HydrophobicContact CG-CB 4.17Å; Y177-A181 WeakPolarHBondContact O-CA 3.41Å; Y177-A181 WeakPolarHBondContact O-CB 3.45Å; Y177-A181 PolarHBondContact O-N 2.96Å; A181-Y187 HydrophobicContact CB-CD1 3.89Å; A181-Y187 HydrophobicContact CB-CE1 3.78Å; A181-Y187 WeakPolarHBondContact O-CD1 3.37Å
182L75.7Confident84.5Confident103 Ų10375 Ų7554%0.53938%0.375SS..Iπ-helixtrans-89.3-24.8-174.3-54.3178.2000113.6S178 N184 L189S178-L182 WeakPolarHBondContact O-CB 3.4Å; S178-L182 PolarHBondContact O-N 3.25Å; L182-N184 PolarHBondContact O-N 3.44Å; L182-L189 HydrophobicContact CD2-CD2 4.37Å
183K79.6Confident84.1Confident148 Ų14871.2 Ų71.264%0.64336%0.359SS*.SBendtrans-78.2-7.4173.8-60.7-178.1173.4161.50113.2D179 P185D179-K183 WeakPolarHBondContact O-CB 2.95Å; D179-K183 VanDerWaalsContact O-CD 3.3Å; D179-K183 WeakPolarHBondContact O-CD 3.43Å; D179-K183 VanDerWaalsContact O-CG 3.28Å; D179-K183 WeakPolarHBondContact O-CG 3.33Å; D179-K183 VanDerWaalsContact OD1-CE 3.26Å; D179-K183 WeakPolarHBondContact OD1-CE 3.45Å; D179-K183 IonicContact OD1-NZ 2.84Å; D179-K183 PolarHBondContact OD1-NZ 3.49Å; K183-P185 VanDerWaalsContact O-CD 3.22Å; K183-P185 WeakPolarHBondContact O-CD 3.29Å
184N76.8Confident83.7Confident78 Ų7881 Ų8142%0.41740%0.396SS..  trans-94.3101.4173.5-174.2-11.8000109.7L182 F186 Y187L182-N184 PolarHBondContact O-N 3.44Å; N184-F186 PolarHBondContact O-N 3.29Å; N184-F186 PolarHBondContact OD1-N 3.48Å; N184-Y187 WeakPolarHBondContact O-CB 3.44Å; N184-Y187 PolarHBondContact O-N 3.22Å
185P75.6Confident83.3Confident111 Ų11178.9 Ų78.972%0.72139%0.394SS*.THydrogen-bonded Turntrans-65.6-12.2-174.727-35000114K183K183-P185 VanDerWaalsContact O-CD 3.22Å; K183-P185 WeakPolarHBondContact O-CD 3.29Å
186F75.8Confident83Confident192 Ų19281 Ų8184%0.84240%0.403SS*.THydrogen-bonded Turntrans-101.61.6178-55.2-73.9000113N184 S188N184-F186 PolarHBondContact O-N 3.29Å; N184-F186 PolarHBondContact OD1-N 3.48Å; F186-S188 PolarHBondContact O-N 3.29Å
187Y77.8Confident82.8Confident45 Ų4584.9 Ų84.918%0.17642%0.424CS..  trans-78119.7-179-176-107.7000110.9A181 N184 L189 M191 I193A181-Y187 HydrophobicContact CB-CD1 3.89Å; A181-Y187 HydrophobicContact CB-CE1 3.78Å; A181-Y187 WeakPolarHBondContact O-CD1 3.37Å; N184-Y187 WeakPolarHBondContact O-CB 3.44Å; N184-Y187 PolarHBondContact O-N 3.22Å; Y187-L189 HydrophobicContact CD1-CD2 4.49Å; Y187-L189 HydrophobicContact CE1-CD2 4.48Å; Y187-M191 PolarHBondContact OH-O 3.37Å; Y187-I193 WeakPolarHBondContact OH-CG1 3.34Å
188S80.5Confident82.8Confident59 Ų5984.8 Ų84.841%0.41342%0.423SS..  trans-83.9128.5170.2178.90000109.8F186 E190 M191F186-S188 PolarHBondContact O-N 3.29Å; S188-E190 PolarHBondContact O-N 3.01Å; S188-E190 VanDerWaalsContact O-N 3.09Å; S188-M191 WeakPolarHBondContact O-CB 3.47Å; S188-M191 PolarHBondContact O-N 3.28Å
189L77.6Confident82.9Confident87 Ų8785.8 Ų85.846%0.45543%0.426SS..THydrogen-bonded Turntrans-63.4-16.2-177.4-60.9174.3000113.7L182 Y187L182-L189 HydrophobicContact CD2-CD2 4.37Å; Y187-L189 HydrophobicContact CD1-CD2 4.49Å; Y187-L189 HydrophobicContact CE1-CD2 4.48Å
190E77.6Confident83.2Confident146 Ų14687.5 Ų87.568%0.68243%0.432SS*.THydrogen-bonded Turntrans-90-11.4178-62.2-173.5166.600112.9S188S188-E190 PolarHBondContact O-N 3.01Å; S188-E190 VanDerWaalsContact O-N 3.09Å
191M84.5Confident83.8Confident106 Ų10688.5 Ų88.552%0.52244%0.439SS..SBendtrans-91.3149.2-176.7-66.9-63.9-70.100111.6Y187 S188 I193Y187-M191 PolarHBondContact OH-O 3.37Å; S188-M191 WeakPolarHBondContact O-CB 3.47Å; S188-M191 PolarHBondContact O-N 3.28Å; M191-I193 PolarHBondContact O-N 3.43Å
192P87.7Confident84.7Confident58 Ų5888.3 Ų88.338%0.37744%0.438SS..  trans-58.3140.2175.5-2534.2000112.8I16 R194I16-P192 CarbonylContact O-C 3.47Å; I16-P192 WeakPolarHBondContact O-CA 3.47Å; P192-R194 PolarHBondContact O-N 3.08Å
193I87.8Confident85.6Confident12 Ų1287.4 Ų87.46%0.06243%0.43CS..  trans-70.7114.6171.4-52.9172.5000107.6I16 Y17 Y177 Y187 M191 C195 F198I16-I193 HydrophobicContact CD1-CD1 4.49Å; I16-I193 PolarHBondContact O-N 2.85Å; Y17-I193 HydrophobicContact CD2-CB 4.07Å; Y177-I193 HydrophobicContact CD2-CD1 3.59Å; Y177-I193 HydrophobicContact CE2-CD1 3.66Å; Y177-I193 HydrophobicContact CE2-CG1 4.42Å; Y187-I193 WeakPolarHBondContact OH-CG1 3.34Å; M191-I193 PolarHBondContact O-N 3.43Å; I193-C195 HydrophobicContact CG2-CB 4.35Å; I193-F198 HydrophobicContact CD1-CE1 4.27Å; I193-F198 HydrophobicContact CD1-CE2 4.24Å; I193-F198 HydrophobicContact CD1-CZ 4.05Å; I193-F198 HydrophobicContact CG2-CB 4.06Å; I193-F198 HydrophobicContact CG2-CD1 3.87Å; I193-F198 HydrophobicContact CG2-CD2 4.32Å; I193-F198 HydrophobicContact CG2-CE1 4.43Å; I193-F198 HydrophobicContact CG2-CG 3.82Å
194R86.4Confident86.3Confident207 Ų20783.5 Ų83.578%0.78142%0.421SS*.  trans-115.311.6177.4-62.3-177.3-179-179.2-0113.1P192 E196P192-R194 PolarHBondContact O-N 3.08Å; R194-E196 PolarHBondContact O-N 2.89Å
195C87.8Confident87.1Confident43 Ų4380.6 Ų80.629%0.29141%0.407SS..  trans-72.1116.8-178.7-176.20000109.9F180 I193 L197 F198 D199F180-C195 HydrophobicContact CB-CB 4.45Å; I193-C195 HydrophobicContact CG2-CB 4.35Å; C195-L197 PolarHBondContact O-N 3.18Å; C195-F198 HydrophobicContact CB-CB 4.02Å; C195-F198 VanDerWaalsContact O-CB 3.29Å; C195-F198 WeakPolarHBondContact O-CB 3.49Å; C195-F198 PolarHBondContact O-N 2.84Å; C195-D199 PolarHBondContact O-N 3.3Å
196E89.5Confident88Confident144 Ų14475.3 Ų75.367%0.67337%0.373SS*.Hα-helixtrans-62.1-33179.8-63.4-177.917700112.7R194 F198 D199 Q200R194-E196 PolarHBondContact O-N 2.89Å; E196-F198 VanDerWaalsContact C-N 3.29Å; E196-F198 PolarHBondContact O-N 2.82Å; E196-D199 WeakPolarHBondContact O-CB 3.43Å; E196-D199 PolarHBondContact O-N 3.18Å; E196-Q200 WeakPolarHBondContact O-CG 3.28Å; E196-Q200 PolarHBondContact O-N 3.35Å
197L90.1Very high88.7Confident89 Ų8971.6 Ų71.647%0.46636%0.358SS..Hα-helixtrans-66.4-32.7176.2-64.8175.1000111.9F180 C195 N201F180-L197 HydrophobicContact CD1-CB 3.79Å; F180-L197 HydrophobicContact CD1-CD1 4.42Å; F180-L197 HydrophobicContact CE1-CB 3.34Å; F180-L197 HydrophobicContact CE1-CD1 3.8Å; F180-L197 HydrophobicContact CE1-CG 4.22Å; F180-L197 HydrophobicContact CE2-CB 4.46Å; F180-L197 HydrophobicContact CZ-CB 3.74Å; C195-L197 PolarHBondContact O-N 3.18Å; L197-N201 WeakPolarHBondContact O-CB 3.41Å; L197-N201 PolarHBondContact O-N 2.91Å; L197-N201 PolarHBondContact O-ND2 2.83Å
198F92.2Very high89.3Confident0 Ų074.2 Ų74.20%038%0.378CS..Hα-helixtrans-62.6-48.2172.2178.8-88.1000110.2Y17 I176 Y177 F180 I193 C195 E196 Q200 N201 L202Y17-F198 AromaticContact CD1-CE1 3.83Å; Y17-F198 HydrophobicContact CD1-CE1 3.83Å; Y17-F198 HydrophobicContact CD2-CD1 4.11Å; Y17-F198 AromaticContact CD2-CE1 3.79Å; Y17-F198 HydrophobicContact CD2-CE1 3.79Å; Y17-F198 AromaticContact CE1-CE1 3.79Å; Y17-F198 HydrophobicContact CE1-CE1 3.79Å; Y17-F198 AromaticContact CE2-CD1 3.82Å; Y17-F198 HydrophobicContact CE2-CD1 3.82Å; Y17-F198 AromaticContact CE2-CE1 3.73Å; Y17-F198 HydrophobicContact CE2-CE1 3.73Å; Y17-F198 AromaticContact CG-CE1 3.81Å; Y17-F198 HydrophobicContact CG-CE1 3.81Å; Y17-F198 AromaticContact CZ-CE1 3.71Å; I176-F198 HydrophobicContact CG2-CD2 3.58Å; I176-F198 HydrophobicContact CG2-CE2 3.85Å; I176-F198 HydrophobicContact CG2-CG 4.29Å; Y177-F198 HydrophobicContact CD2-CE2 4.43Å; F180-F198 HydrophobicContact CB-CB 4.03Å; F180-F198 HydrophobicContact CB-CD2 4.32Å; F180-F198 HydrophobicContact CD2-CB 4.09Å; F180-F198 HydrophobicContact CD2-CD2 4.33Å; F180-F198 HydrophobicContact CG-CB 4.2Å; I193-F198 HydrophobicContact CD1-CE1 4.27Å; I193-F198 HydrophobicContact CD1-CE2 4.24Å; I193-F198 HydrophobicContact CD1-CZ 4.05Å; I193-F198 HydrophobicContact CG2-CB 4.06Å; I193-F198 HydrophobicContact CG2-CD1 3.87Å; I193-F198 HydrophobicContact CG2-CD2 4.32Å; I193-F198 HydrophobicContact CG2-CE1 4.43Å; I193-F198 HydrophobicContact CG2-CG 3.82Å; C195-F198 HydrophobicContact CB-CB 4.02Å; C195-F198 VanDerWaalsContact O-CB 3.29Å; C195-F198 WeakPolarHBondContact O-CB 3.49Å; C195-F198 PolarHBondContact O-N 2.84Å; E196-F198 VanDerWaalsContact C-N 3.29Å; E196-F198 PolarHBondContact O-N 2.82Å; F198-Q200 PolarHBondContact O-N 3.11Å; F198-N201 PolarHBondContact O-N 3.23Å; F198-L202 HydrophobicContact CE1-CD2 4.17Å; F198-L202 VanDerWaalsContact O-CB 3.26Å; F198-L202 WeakPolarHBondContact O-CB 3.16Å; F198-L202 PolarHBondContact O-N 3.25Å
199D92.4Very high89.7Confident50 Ų5072 Ų7227%0.26736%0.363SS..Hα-helixtrans-57.8-46.7177.7-82.6-2.9000112.7Y17 C195 E196 L202 K203Y17-D199 WeakPolarHBondContact CE2-OD1 3.36Å; Y17-D199 PolarHBondContact OH-OD1 3.11Å; C195-D199 PolarHBondContact O-N 3.3Å; E196-D199 WeakPolarHBondContact O-CB 3.43Å; E196-D199 PolarHBondContact O-N 3.18Å; D199-L202 PolarHBondContact O-N 3.35Å; D199-K203 WeakPolarHBondContact O-CB 3.46Å; D199-K203 VanDerWaalsContact O-CG 3.29Å; D199-K203 WeakPolarHBondContact O-CG 3.12Å; D199-K203 PolarHBondContact O-N 2.99Å
200Q94.4Very high90.2Very high110 Ų11069.7 Ų69.751%0.51435%0.35SS..Hα-helixtrans-64.7-47-178.5-70.8174.311.800111.5E196 F198 L202 K203 S204E196-Q200 WeakPolarHBondContact O-CG 3.28Å; E196-Q200 PolarHBondContact O-N 3.35Å; F198-Q200 PolarHBondContact O-N 3.11Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; Q200-K203 PolarHBondContact O-N 3.2Å; Q200-S204 PolarHBondContact O-N 3.43Å; Q200-S204 PolarHBondContact O-OG 2.8Å; Q200-S204 VanDerWaalsContact O-OG 3.09Å
201N94.8Very high90.5Very high66 Ų6671 Ų7135%0.35335%0.354SS..Hα-helixtrans-68.6-34.7179.5-76.8-72.4000112.4I176 F180 L197 F198 S205I176-N201 HydrophobicContact CD1-CB 4.06Å; I176-N201 HydrophobicContact CG1-CB 4.2Å; I176-N201 HydrophobicContact CG2-CB 3.95Å; F180-N201 HydrophobicContact CE2-CB 4.2Å; F180-N201 WeakPolarHBondContact CE2-ND2 3.46Å; F180-N201 VanDerWaalsContact CZ-ND2 3.33Å; F180-N201 WeakPolarHBondContact CZ-ND2 3.5Å; L197-N201 WeakPolarHBondContact O-CB 3.41Å; L197-N201 PolarHBondContact O-N 2.91Å; L197-N201 PolarHBondContact O-ND2 2.83Å; F198-N201 PolarHBondContact O-N 3.23Å; N201-S205 WeakPolarHBondContact O-CB 3.19Å; N201-S205 PolarHBondContact O-N 3.34Å; N201-S205 PolarHBondContact O-OG 3.49Å
202L94.9Very high90Very high0 Ų068.2 Ų68.20%035%0.348CS..Hα-helixtrans-62.3-51.1173.9179.666.1000110.7V6 Y17 I173 F198 D199 Q200 S204 S205 L206V6-L202 HydrophobicContact CG1-CD2 4.47Å; Y17-L202 HydrophobicContact CD1-CD2 4.28Å; Y17-L202 HydrophobicContact CE1-CD2 3.29Å; Y17-L202 WeakPolarHBondContact OH-CD2 3.46Å; I173-L202 HydrophobicContact CD1-CD1 3.9Å; I173-L202 HydrophobicContact CG1-CD1 3.59Å; I173-L202 HydrophobicContact CG2-CD1 4.26Å; F198-L202 HydrophobicContact CE1-CD2 4.17Å; F198-L202 VanDerWaalsContact O-CB 3.26Å; F198-L202 WeakPolarHBondContact O-CB 3.16Å; F198-L202 PolarHBondContact O-N 3.25Å; D199-L202 PolarHBondContact O-N 3.35Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 2.87Å; L202-S205 WeakPolarHBondContact O-CB 3.26Å; L202-S205 PolarHBondContact O-N 3.37Å; L202-S205 VanDerWaalsContact O-N 3.07Å; L202-L206 HydrophobicContact CD1-CG 4.47Å; L202-L206 HydrophobicContact CG-CD1 4.16Å; L202-L206 HydrophobicContact CG-CG 4.46Å; L202-L206 WeakPolarHBondContact O-CG 3.3Å; L202-L206 PolarHBondContact O-N 2.65Å
203K94.3Very high88.6Confident84 Ų8465.8 Ų65.837%0.36533%0.333SS..Hα-helixtrans-57.4-47.2178.7-73.9172.4-176.5174.20111.9Y19 D199 Q200 S205 L206 E207Y19-K203 HydrophobicContact CE1-CG 4.21Å; D199-K203 WeakPolarHBondContact O-CB 3.46Å; D199-K203 VanDerWaalsContact O-CG 3.29Å; D199-K203 WeakPolarHBondContact O-CG 3.12Å; D199-K203 PolarHBondContact O-N 2.99Å; Q200-K203 PolarHBondContact O-N 3.2Å; K203-S205 VanDerWaalsContact C-N 3.27Å; K203-S205 PolarHBondContact O-N 3.22Å; K203-L206 WeakPolarHBondContact O-CB 3.21Å; K203-L206 PolarHBondContact O-N 3.08Å; K203-L206 VanDerWaalsContact O-N 3.15Å; K203-E207 WeakPolarHBondContact O-CG 3.28Å; K203-E207 PolarHBondContact O-N 3.26Å
204S94.1Very high87Confident66 Ų6672.1 Ų72.146%0.46237%0.367SS..Hα-helixtrans-58.6-38.8175.3-61.10000112.6Q200 L202 E207 V208Q200-S204 PolarHBondContact O-N 3.43Å; Q200-S204 PolarHBondContact O-OG 2.8Å; Q200-S204 VanDerWaalsContact O-OG 3.09Å; L202-S204 PolarHBondContact O-N 2.87Å; S204-E207 PolarHBondContact O-N 3.5Å; S204-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 PolarHBondContact O-N 3.3Å
205S93.9Very high85.3Confident18 Ų1871.2 Ų71.213%0.12637%0.369CS..Hα-helixtrans-70.6-35.6177.8-59.20000112.5I176 N201 L202 K203 V208 A209I176-S205 VanDerWaalsContact CD1-OG 3.29Å; I176-S205 WeakPolarHBondContact CD1-OG 3.12Å; N201-S205 WeakPolarHBondContact O-CB 3.19Å; N201-S205 PolarHBondContact O-N 3.34Å; N201-S205 PolarHBondContact O-OG 3.49Å; L202-S205 WeakPolarHBondContact O-CB 3.26Å; L202-S205 PolarHBondContact O-N 3.37Å; L202-S205 VanDerWaalsContact O-N 3.07Å; K203-S205 VanDerWaalsContact C-N 3.27Å; K203-S205 PolarHBondContact O-N 3.22Å; S205-V208 PolarHBondContact O-N 2.82Å; S205-A209 WeakPolarHBondContact O-CB 3.36Å; S205-A209 PolarHBondContact O-N 3.03Å
206L93.3Very high83.1Confident0 Ų072.3 Ų72.30%039%0.388CS..Hα-helixtrans-63.3-45.6173.1-69172.5000110.9I3 V6 Y19 N21 L169 L202 K203 V208 A209 E210I3-L206 HydrophobicContact CD1-CD2 4.06Å; I3-L206 HydrophobicContact CG2-CD2 3.89Å; V6-L206 HydrophobicContact CG2-CD1 4.13Å; V6-L206 HydrophobicContact CG2-CD2 3.82Å; Y19-L206 HydrophobicContact CD1-CD1 3.62Å; Y19-L206 HydrophobicContact CE1-CD1 3.67Å; N21-L206 HydrophobicContact CB-CD1 4.41Å; L169-L206 HydrophobicContact CD1-CD2 4.24Å; L169-L206 HydrophobicContact CD2-CD2 3.9Å; L202-L206 HydrophobicContact CD1-CG 4.47Å; L202-L206 HydrophobicContact CG-CD1 4.16Å; L202-L206 HydrophobicContact CG-CG 4.46Å; L202-L206 WeakPolarHBondContact O-CG 3.3Å; L202-L206 PolarHBondContact O-N 2.65Å; K203-L206 WeakPolarHBondContact O-CB 3.21Å; K203-L206 PolarHBondContact O-N 3.08Å; K203-L206 VanDerWaalsContact O-N 3.15Å; L206-V208 VanDerWaalsContact C-N 3.28Å; L206-V208 PolarHBondContact O-N 3.3Å; L206-A209 PolarHBondContact O-N 3.05Å; L206-A209 VanDerWaalsContact O-N 3.13Å; L206-E210 WeakPolarHBondContact O-CG 3.34Å; L206-E210 PolarHBondContact O-N 2.87Å
207E91.4Very high80.7Confident113 Ų11371.2 Ų71.253%0.52840%0.403SS..Hα-helixtrans-59.3-37.7176.7-70.6179.4-170.400112.9K203 S204 K211K203-E207 WeakPolarHBondContact O-CG 3.28Å; K203-E207 PolarHBondContact O-N 3.26Å; S204-E207 PolarHBondContact O-N 3.5Å; E207-K211 WeakPolarHBondContact O-CG 3.22Å; E207-K211 PolarHBondContact O-N 3.35Å
208V90.5Very high78.5Confident101 Ų10170.4 Ų70.461%0.61242%0.417SS*.Hα-helixtrans-68.5-44.61751720000110.7S204 S205 L206 E210 K211 A212S204-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 PolarHBondContact O-N 3.3Å; S205-V208 PolarHBondContact O-N 2.82Å; L206-V208 VanDerWaalsContact C-N 3.28Å; L206-V208 PolarHBondContact O-N 3.3Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 2.82Å; V208-K211 PolarHBondContact O-N 2.63Å; V208-K211 VanDerWaalsContact O-N 3.17Å; V208-A212 PolarHBondContact O-N 3.45Å; V208-A212 VanDerWaalsContact O-N 3.15Å
209A89.4Confident75.6Confident11 Ų1179.7 Ų79.79%0.09148%0.481CS..Hα-helixtrans-65.2-35.6179.100000112.5I3 Q163 L169 S205 L206 K211 A212I3-A209 HydrophobicContact CD1-CB 3.66Å; Q163-A209 PolarHBondContact NE2-O 3.02Å; L169-A209 HydrophobicContact CB-CB 4.2Å; L169-A209 HydrophobicContact CD1-CB 4Å; L169-A209 HydrophobicContact CD2-CB 3.88Å; L169-A209 HydrophobicContact CG-CB 4.24Å; S205-A209 WeakPolarHBondContact O-CB 3.36Å; S205-A209 PolarHBondContact O-N 3.03Å; L206-A209 PolarHBondContact O-N 3.05Å; L206-A209 VanDerWaalsContact O-N 3.13Å; A209-K211 VanDerWaalsContact C-N 3.27Å; A209-K211 PolarHBondContact O-N 3Å; A209-A212 WeakPolarHBondContact O-CB 3.39Å; A209-A212 PolarHBondContact O-N 3.41Å; A209-A212 VanDerWaalsContact O-N 3.15Å
210E87.6Confident74.8Confident40 Ų4081.2 Ų81.219%0.18749%0.492CS..Hα-helixtrans-62.5-34.5173.5-72.1-161141.300112.4M1 V2 I3 N21 L206 V208 A212M1-E210 WeakPolarHBondContact CA-OE1 3.27Å; M1-E210 WeakPolarHBondContact CB-OE1 3.46Å; M1-E210 VanDerWaalsContact CG-OE1 3.28Å; M1-E210 WeakPolarHBondContact CG-OE1 3.48Å; V2-E210 HydrophobicContact CG2-CB 4.31Å; V2-E210 HydrophobicContact CG2-CG 4.15Å; V2-E210 PolarHBondContact N-OE1 3Å; I3-E210 HydrophobicContact CD1-CG 4.01Å; I3-E210 HydrophobicContact CG1-CG 4.35Å; N21-E210 PolarHBondContact ND2-OE1 3.09Å; L206-E210 WeakPolarHBondContact O-CG 3.34Å; L206-E210 PolarHBondContact O-N 2.87Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 2.82Å; E210-A212 VanDerWaalsContact C-N 3.32Å
211K83.9Confident73.8Confident172 Ų17279.6 Ų79.675%0.74849%0.491SS*.Hα-helixtrans-76.2-21.3176.1-68.4169.4-174.4168.70113E207 V208 A209 G213E207-K211 WeakPolarHBondContact O-CG 3.22Å; E207-K211 PolarHBondContact O-N 3.35Å; V208-K211 PolarHBondContact O-N 2.63Å; V208-K211 VanDerWaalsContact O-N 3.17Å; A209-K211 VanDerWaalsContact C-N 3.27Å; A209-K211 PolarHBondContact O-N 3Å; K211-G213 VanDerWaalsContact C-N 3.28Å; K211-G213 PolarHBondContact O-N 3.03Å
212A73.4Confident72.6Confident49 Ų4980.4 Ų80.441%0.40550%0.499SS..THydrogen-bonded Turntrans-78.5-9.2-179.300000113.6V208 A209 E210V208-A212 PolarHBondContact O-N 3.45Å; V208-A212 VanDerWaalsContact O-N 3.15Å; A209-A212 WeakPolarHBondContact O-CB 3.39Å; A209-A212 PolarHBondContact O-N 3.41Å; A209-A212 VanDerWaalsContact O-N 3.15Å; E210-A212 VanDerWaalsContact C-N 3.32Å
213G58.3Low71.3Confident6 Ų685.1 Ų85.16%0.06253%0.528CS..  trans-122.889.6-171.900000114.3K211K211-G213 VanDerWaalsContact C-N 3.28Å; K211-G213 PolarHBondContact O-N 3.03Å
214N54.5Low69.9Low146 Ų14685.2 Ų85.278%0.78154%0.538SS*.  trans-161.953.9146.9-115.325000109.2G216N214-G216 PolarHBondContact O-N 3.05Å
215F51.2Low68.2Low187 Ų18786.5 Ų86.582%0.8254%0.543SS*.  trans-74.6110.1164-73.1-79.1000107
216G41.2Very low66.4Low66 Ų6691.4 Ų91.468%0.6857%0.573SS**  trans-59.1153.5-166.500000114.4N214 G218N214-G216 PolarHBondContact O-N 3.05Å; G216-G218 VanDerWaalsContact C-N 3.26Å; G216-G218 PolarHBondContact O-N 3.2Å
217A38.9Very low64.4Low121 Ų12198.4 Ų98.4100%162%0.617SS**  trans-55.299149.300000107.7
218G44.6Very low62.1Low73 Ų7397.2 Ų97.275%0.75363%0.625SS**  trans-15359.1-178.100000108.7G216G216-G218 VanDerWaalsContact C-N 3.26Å; G216-G218 PolarHBondContact O-N 3.2Å
219S31.5Very low59.5Low194 Ų19496.8 Ų96.8100%1.35763%0.626SS**  trans-161.80160.360.70000108.9

Retrieved 219 of 219 residues in 765.8 ms (Link to these results)

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